1 GLU 417 N 0.0179 0.0142 0.0087 2 GLU 417 CA 0.0173 0.0140 0.0079 3 GLU 417 C 0.0173 0.0142 0.0076 4 GLU 417 O 0.0169 0.0138 0.0078 5 GLU 417 CB 0.0166 0.0133 0.0081 6 GLU 417 CG 0.0160 0.0131 0.0074 7 GLU 417 CD 0.0156 0.0128 0.0071 8 GLU 417 OE1 0.0156 0.0125 0.0077 9 GLU 417 OE2 0.0153 0.0129 0.0063 10 ALA 418 N 0.0176 0.0148 0.0070 11 ALA 418 CA 0.0176 0.0150 0.0066 12 ALA 418 C 0.0173 0.0152 0.0056 13 ALA 418 O 0.0169 0.0149 0.0052 14 ALA 418 CB 0.0183 0.0155 0.0068 15 ALA 419 N 0.0176 0.0156 0.0052 16 ALA 419 CA 0.0173 0.0158 0.0043 17 ALA 419 C 0.0166 0.0152 0.0040 18 ALA 419 O 0.0162 0.0152 0.0033 19 ALA 419 CB 0.0178 0.0163 0.0040 20 ARG 420 N 0.0163 0.0147 0.0045 21 ARG 420 CA 0.0156 0.0142 0.0042 22 ARG 420 C 0.0151 0.0138 0.0041 23 ARG 420 O 0.0146 0.0137 0.0034 24 ARG 420 CB 0.0155 0.0138 0.0049 25 ARG 420 CG 0.0161 0.0142 0.0054 26 ARG 420 CD 0.0163 0.0146 0.0048 27 ARG 420 NE 0.0158 0.0143 0.0044 28 ARG 420 CZ 0.0157 0.0146 0.0037 29 ARG 420 NH1 0.0161 0.0152 0.0032 30 ARG 420 NH2 0.0152 0.0142 0.0034 31 ARG 421 N 0.0152 0.0136 0.0048 32 ARG 421 CA 0.0147 0.0132 0.0046 33 ARG 421 C 0.0148 0.0136 0.0041 34 ARG 421 O 0.0144 0.0133 0.0037 35 ARG 421 CB 0.0146 0.0127 0.0055 36 ARG 421 CG 0.0152 0.0130 0.0059 37 ARG 421 CD 0.0159 0.0135 0.0063 38 ARG 421 NE 0.0164 0.0138 0.0067 39 ARG 421 CZ 0.0167 0.0142 0.0063 40 ARG 421 NH1 0.0166 0.0145 0.0055 41 ARG 421 NH2 0.0171 0.0144 0.0068 42 ALA 422 N 0.0155 0.0142 0.0040 43 ALA 422 CA 0.0156 0.0146 0.0034 44 ALA 422 C 0.0152 0.0146 0.0025 45 ALA 422 O 0.0148 0.0146 0.0020 46 ALA 422 CB 0.0164 0.0153 0.0034 47 LEU 423 N 0.0151 0.0147 0.0023 48 LEU 423 CA 0.0147 0.0146 0.0015 49 LEU 423 C 0.0139 0.0140 0.0014 50 LEU 423 O 0.0135 0.0139 0.0008 51 LEU 423 CB 0.0148 0.0148 0.0014 52 LEU 423 CG 0.0144 0.0147 0.0008 53 LEU 423 CD1 0.0144 0.0151 -0.0001 54 LEU 423 CD2 0.0145 0.0147 0.0009 55 VAL 424 N 0.0137 0.0135 0.0021 56 VAL 424 CA 0.0130 0.0129 0.0021 57 VAL 424 C 0.0128 0.0128 0.0019 58 VAL 424 O 0.0122 0.0125 0.0013 59 VAL 424 CB 0.0129 0.0124 0.0030 60 VAL 424 CG1 0.0122 0.0118 0.0031 61 VAL 424 CG2 0.0129 0.0124 0.0031 62 ASP 425 N 0.0132 0.0130 0.0022 63 ASP 425 CA 0.0130 0.0129 0.0019 64 ASP 425 C 0.0131 0.0134 0.0011 65 ASP 425 O 0.0127 0.0133 0.0007 66 ASP 425 CB 0.0134 0.0130 0.0026 67 ASP 425 CG 0.0141 0.0136 0.0027 68 ASP 425 OD1 0.0143 0.0141 0.0021 69 ASP 425 OD2 0.0145 0.0137 0.0034 70 ALA 426 N 0.0136 0.0138 0.0009 71 ALA 426 CA 0.0137 0.0142 0.0001 72 ALA 426 C 0.0130 0.0140 -0.0006 73 ALA 426 O 0.0128 0.0141 -0.0012 74 ALA 426 CB 0.0143 0.0148 -0.0000 75 VAL 427 N 0.0128 0.0137 -0.0005 76 VAL 427 CA 0.0122 0.0136 -0.0011 77 VAL 427 C 0.0115 0.0131 -0.0013 78 VAL 427 O 0.0111 0.0131 -0.0019 79 VAL 427 CB 0.0121 0.0134 -0.0010 80 VAL 427 CG1 0.0127 0.0139 -0.0010 81 VAL 427 CG2 0.0119 0.0129 -0.0001 82 PHE 428 N 0.0114 0.0127 -0.0006 83 PHE 428 CA 0.0108 0.0121 -0.0006 84 PHE 428 C 0.0110 0.0122 -0.0005 85 PHE 428 O 0.0114 0.0122 0.0002 86 PHE 428 CB 0.0105 0.0116 0.0000 87 PHE 428 CG 0.0100 0.0113 -0.0002 88 PHE 428 CD1 0.0102 0.0117 -0.0007 89 PHE 428 CD2 0.0094 0.0107 0.0001 90 PHE 428 CE1 0.0097 0.0114 -0.0010 91 PHE 428 CE2 0.0090 0.0104 -0.0002 92 PHE 428 CZ 0.0092 0.0108 -0.0007 93 GLN 429 N 0.0107 0.0124 -0.0010 94 GLN 429 CA 0.0107 0.0124 -0.0009 95 GLN 429 C 0.0101 0.0119 -0.0008 96 GLN 429 O 0.0096 0.0116 -0.0013 97 GLN 429 CB 0.0109 0.0129 -0.0016 98 GLN 429 CG 0.0104 0.0128 -0.0024 99 GLN 429 CD 0.0106 0.0132 -0.0031 100 GLN 429 NE2 0.0103 0.0131 -0.0033 101 GLN 429 OE1 0.0111 0.0137 -0.0033 102 VAL 430 N 0.0101 0.0117 -0.0003 103 VAL 430 CA 0.0096 0.0111 -0.0002 104 VAL 430 C 0.0097 0.0112 -0.0001 105 VAL 430 O 0.0102 0.0115 0.0003 106 VAL 430 CB 0.0094 0.0107 0.0006 107 VAL 430 CG1 0.0099 0.0108 0.0013 108 VAL 430 CG2 0.0087 0.0101 0.0006 109 SER 431 N 0.0092 0.0110 -0.0005 110 SER 431 CA 0.0093 0.0110 -0.0004 111 SER 431 C 0.0086 0.0105 -0.0004 112 SER 431 O 0.0081 0.0102 -0.0008 113 SER 431 CB 0.0095 0.0115 -0.0011 114 SER 431 OG 0.0091 0.0115 -0.0019 115 VAL 432 N 0.0085 0.0103 0.0001 116 VAL 432 CA 0.0080 0.0098 0.0002 117 VAL 432 C 0.0078 0.0100 -0.0005 118 VAL 432 O 0.0081 0.0102 -0.0004 119 VAL 432 CB 0.0081 0.0095 0.0010 120 VAL 432 CG1 0.0075 0.0089 0.0010 121 VAL 432 CG2 0.0084 0.0095 0.0016 122 LEU 433 N 0.0074 0.0099 -0.0011 123 LEU 433 CA 0.0072 0.0100 -0.0018 124 LEU 433 C 0.0069 0.0096 -0.0015 125 LEU 433 O 0.0065 0.0091 -0.0011 126 LEU 433 CB 0.0068 0.0099 -0.0025 127 LEU 433 CG 0.0066 0.0101 -0.0033 128 LEU 433 CD1 0.0064 0.0103 -0.0039 129 LEU 433 CD2 0.0060 0.0096 -0.0034 130 PRO 434 N 0.0070 0.0098 -0.0018 131 PRO 434 CA 0.0067 0.0094 -0.0016 132 PRO 434 C 0.0060 0.0089 -0.0018 133 PRO 434 O 0.0056 0.0089 -0.0024 134 PRO 434 CB 0.0069 0.0098 -0.0020 135 PRO 434 CG 0.0071 0.0103 -0.0026 136 PRO 434 CD 0.0074 0.0104 -0.0023 137 GLY 435 N 0.0056 0.0083 -0.0011 138 GLY 435 CA 0.0049 0.0078 -0.0011 139 GLY 435 C 0.0048 0.0074 -0.0006 140 GLY 435 O 0.0043 0.0070 -0.0007 141 ASN 436 N 0.0053 0.0077 -0.0001 142 ASN 436 CA 0.0053 0.0074 0.0004 143 ASN 436 C 0.0050 0.0074 -0.0001 144 ASN 436 O 0.0046 0.0069 0.0001 145 ASN 436 CB 0.0049 0.0068 0.0010 146 ASN 436 CG 0.0051 0.0066 0.0017 147 ASN 436 ND2 0.0047 0.0061 0.0021 148 ASN 436 OD1 0.0056 0.0070 0.0020 149 VAL 437 N 0.0053 0.0079 -0.0006 150 VAL 437 CA 0.0051 0.0079 -0.0011 151 VAL 437 C 0.0057 0.0084 -0.0010 152 VAL 437 O 0.0062 0.0089 -0.0010 153 VAL 437 CB 0.0048 0.0081 -0.0020 154 VAL 437 CG1 0.0047 0.0081 -0.0025 155 VAL 437 CG2 0.0043 0.0076 -0.0021 156 GLY 438 N 0.0057 0.0083 -0.0009 157 GLY 438 CA 0.0063 0.0087 -0.0008 158 GLY 438 C 0.0064 0.0091 -0.0015 159 GLY 438 O 0.0059 0.0089 -0.0020 160 TYR 439 N 0.0070 0.0097 -0.0016 161 TYR 439 CA 0.0072 0.0101 -0.0023 162 TYR 439 C 0.0075 0.0103 -0.0020 163 TYR 439 O 0.0080 0.0105 -0.0014 164 TYR 439 CB 0.0076 0.0106 -0.0026 165 TYR 439 CG 0.0076 0.0111 -0.0034 166 TYR 439 CD1 0.0072 0.0109 -0.0039 167 TYR 439 CD2 0.0081 0.0116 -0.0037 168 TYR 439 CE1 0.0072 0.0113 -0.0046 169 TYR 439 CE2 0.0082 0.0120 -0.0044 170 TYR 439 CZ 0.0077 0.0118 -0.0049 171 TYR 439 OH 0.0078 0.0122 -0.0057 172 LEU 440 N 0.0073 0.0103 -0.0024 173 LEU 440 CA 0.0076 0.0105 -0.0022 174 LEU 440 C 0.0077 0.0109 -0.0030 175 LEU 440 O 0.0072 0.0108 -0.0036 176 LEU 440 CB 0.0072 0.0100 -0.0019 177 LEU 440 CG 0.0076 0.0100 -0.0013 178 LEU 440 CD1 0.0082 0.0103 -0.0008 179 LEU 440 CD2 0.0071 0.0094 -0.0009 180 ARG 441 N 0.0084 0.0112 -0.0030 181 ARG 441 CA 0.0086 0.0117 -0.0037 182 ARG 441 C 0.0088 0.0118 -0.0034 183 ARG 441 O 0.0092 0.0117 -0.0027 184 ARG 441 CB 0.0091 0.0122 -0.0040 185 ARG 441 CG 0.0093 0.0127 -0.0046 186 ARG 441 CD 0.0098 0.0133 -0.0048 187 ARG 441 NE 0.0102 0.0138 -0.0053 188 ARG 441 CZ 0.0100 0.0140 -0.0060 189 ARG 441 NH1 0.0094 0.0138 -0.0065 190 ARG 441 NH2 0.0103 0.0144 -0.0063 191 PHE 442 N 0.0086 0.0119 -0.0039 192 PHE 442 CA 0.0088 0.0119 -0.0037 193 PHE 442 C 0.0092 0.0125 -0.0043 194 PHE 442 O 0.0091 0.0128 -0.0049 195 PHE 442 CB 0.0082 0.0115 -0.0038 196 PHE 442 CG 0.0079 0.0109 -0.0031 197 PHE 442 CD1 0.0083 0.0108 -0.0025 198 PHE 442 CD2 0.0073 0.0104 -0.0032 199 PHE 442 CE1 0.0080 0.0103 -0.0018 200 PHE 442 CE2 0.0070 0.0099 -0.0025 201 PHE 442 CZ 0.0074 0.0099 -0.0019 202 ASP 443 N 0.0097 0.0127 -0.0040 203 ASP 443 CA 0.0101 0.0133 -0.0044 204 ASP 443 C 0.0100 0.0133 -0.0045 205 ASP 443 O 0.0099 0.0135 -0.0051 206 ASP 443 CB 0.0109 0.0137 -0.0041 207 ASP 443 CG 0.0112 0.0136 -0.0033 208 ASP 443 OD1 0.0109 0.0131 -0.0028 209 ASP 443 OD2 0.0118 0.0140 -0.0031 210 SER 444 N 0.0099 0.0127 -0.0039 211 SER 444 CA 0.0097 0.0126 -0.0040 212 SER 444 C 0.0093 0.0119 -0.0035 213 SER 444 O 0.0095 0.0117 -0.0028 214 SER 444 CB 0.0103 0.0130 -0.0037 215 SER 444 OG 0.0102 0.0128 -0.0036 216 PHE 445 N 0.0087 0.0116 -0.0038 217 PHE 445 CA 0.0083 0.0110 -0.0033 218 PHE 445 C 0.0087 0.0110 -0.0027 219 PHE 445 O 0.0086 0.0105 -0.0021 220 PHE 445 CB 0.0076 0.0108 -0.0038 221 PHE 445 CG 0.0070 0.0102 -0.0038 222 PHE 445 CD1 0.0067 0.0103 -0.0042 223 PHE 445 CD2 0.0067 0.0096 -0.0033 224 PHE 445 CE1 0.0062 0.0097 -0.0041 225 PHE 445 CE2 0.0061 0.0091 -0.0032 226 PHE 445 CZ 0.0059 0.0092 -0.0036 227 ALA 446 N 0.0090 0.0114 -0.0029 228 ALA 446 CA 0.0094 0.0114 -0.0024 229 ALA 446 C 0.0090 0.0109 -0.0022 230 ALA 446 O 0.0084 0.0107 -0.0027 231 ALA 446 CB 0.0100 0.0114 -0.0018 232 ASP 447 N 0.0090 0.0110 -0.0014 233 ASP 447 CA 0.0087 0.0106 -0.0012 234 ASP 447 C 0.0085 0.0101 -0.0005 235 ASP 447 O 0.0088 0.0102 -0.0001 236 ASP 447 CB 0.0091 0.0109 -0.0011 237 ASP 447 CG 0.0087 0.0106 -0.0012 238 ASP 447 OD1 0.0084 0.0106 -0.0018 239 ASP 447 OD2 0.0086 0.0103 -0.0006 240 ALA 448 N 0.0080 0.0097 -0.0003 241 ALA 448 CA 0.0078 0.0092 0.0004 242 ALA 448 C 0.0083 0.0093 0.0011 243 ALA 448 O 0.0084 0.0092 0.0016 244 ALA 448 CB 0.0072 0.0087 0.0004 245 SER 449 N 0.0087 0.0096 0.0011 246 SER 449 CA 0.0092 0.0098 0.0018 247 SER 449 C 0.0096 0.0100 0.0020 248 SER 449 O 0.0097 0.0098 0.0027 249 SER 449 CB 0.0095 0.0101 0.0017 250 SER 449 OG 0.0096 0.0105 0.0009 251 VAL 450 N 0.0101 0.0107 0.0016 252 VAL 450 CA 0.0106 0.0110 0.0018 253 VAL 450 C 0.0103 0.0106 0.0021 254 VAL 450 O 0.0106 0.0106 0.0027 255 VAL 450 CB 0.0108 0.0116 0.0011 256 VAL 450 CG1 0.0114 0.0120 0.0013 257 VAL 450 CG2 0.0110 0.0119 0.0007 258 LEU 451 N 0.0097 0.0103 0.0017 259 LEU 451 CA 0.0094 0.0099 0.0020 260 LEU 451 C 0.0092 0.0094 0.0027 261 LEU 451 O 0.0093 0.0092 0.0033 262 LEU 451 CB 0.0087 0.0096 0.0013 263 LEU 451 CG 0.0088 0.0101 0.0005 264 LEU 451 CD1 0.0081 0.0098 -0.0001 265 LEU 451 CD2 0.0093 0.0106 0.0004 266 GLY 452 N 0.0090 0.0091 0.0028 267 GLY 452 CA 0.0089 0.0086 0.0036 268 GLY 452 C 0.0095 0.0088 0.0043 269 GLY 452 O 0.0095 0.0085 0.0049 270 VAL 453 N 0.0101 0.0093 0.0043 271 VAL 453 CA 0.0108 0.0095 0.0050 272 VAL 453 C 0.0113 0.0098 0.0051 273 VAL 453 O 0.0118 0.0099 0.0058 274 VAL 453 CB 0.0113 0.0099 0.0049 275 VAL 453 CG1 0.0108 0.0096 0.0049 276 VAL 453 CG2 0.0115 0.0106 0.0042 277 LEU 454 N 0.0111 0.0101 0.0045 278 LEU 454 CA 0.0115 0.0104 0.0046 279 LEU 454 C 0.0110 0.0100 0.0046 280 LEU 454 O 0.0112 0.0102 0.0044 281 LEU 454 CB 0.0118 0.0111 0.0039 282 LEU 454 CG 0.0126 0.0116 0.0040 283 LEU 454 CD1 0.0131 0.0117 0.0046 284 LEU 454 CD2 0.0127 0.0115 0.0043 285 ALA 455 N 0.0104 0.0093 0.0047 286 ALA 455 CA 0.0099 0.0089 0.0047 287 ALA 455 C 0.0102 0.0089 0.0053 288 ALA 455 O 0.0101 0.0089 0.0050 289 ALA 455 CB 0.0092 0.0082 0.0049 290 PRO 456 N 0.0106 0.0088 0.0061 291 PRO 456 CA 0.0108 0.0087 0.0067 292 PRO 456 C 0.0112 0.0092 0.0063 293 PRO 456 O 0.0110 0.0090 0.0064 294 PRO 456 CB 0.0113 0.0086 0.0075 295 PRO 456 CG 0.0115 0.0090 0.0073 296 PRO 456 CD 0.0109 0.0089 0.0066 297 TYR 457 N 0.0117 0.0098 0.0060 298 TYR 457 CA 0.0120 0.0103 0.0056 299 TYR 457 C 0.0115 0.0102 0.0049 300 TYR 457 O 0.0115 0.0103 0.0047 301 TYR 457 CB 0.0127 0.0109 0.0054 302 TYR 457 CG 0.0131 0.0109 0.0061 303 TYR 457 CD1 0.0136 0.0110 0.0068 304 TYR 457 CD2 0.0131 0.0109 0.0061 305 TYR 457 CE1 0.0141 0.0110 0.0075 306 TYR 457 CE2 0.0135 0.0109 0.0067 307 TYR 457 CZ 0.0140 0.0109 0.0074 308 TYR 457 OH 0.0144 0.0110 0.0080 309 ILE 458 N 0.0110 0.0101 0.0044 310 ILE 458 CA 0.0105 0.0101 0.0036 311 ILE 458 C 0.0100 0.0096 0.0038 312 ILE 458 O 0.0099 0.0097 0.0034 313 ILE 458 CB 0.0101 0.0100 0.0031 314 ILE 458 CG1 0.0106 0.0107 0.0027 315 ILE 458 CG2 0.0094 0.0098 0.0025 316 ILE 458 CD1 0.0103 0.0106 0.0025 317 VAL 459 N 0.0097 0.0092 0.0043 318 VAL 459 CA 0.0092 0.0087 0.0045 319 VAL 459 C 0.0096 0.0088 0.0049 320 VAL 459 O 0.0093 0.0087 0.0046 321 VAL 459 CB 0.0088 0.0081 0.0050 322 VAL 459 CG1 0.0083 0.0079 0.0045 323 VAL 459 CG2 0.0093 0.0081 0.0057 324 HIS 460 N 0.0101 0.0090 0.0054 325 HIS 460 CA 0.0105 0.0091 0.0058 326 HIS 460 C 0.0107 0.0095 0.0052 327 HIS 460 O 0.0108 0.0095 0.0054 328 HIS 460 CB 0.0112 0.0093 0.0064 329 HIS 460 CG 0.0116 0.0095 0.0068 330 HIS 460 CD2 0.0122 0.0101 0.0066 331 HIS 460 ND1 0.0116 0.0091 0.0075 332 HIS 460 CE1 0.0121 0.0094 0.0077 333 HIS 460 NE2 0.0124 0.0100 0.0072 334 GLN 461 N 0.0108 0.0099 0.0046 335 GLN 461 CA 0.0109 0.0104 0.0040 336 GLN 461 C 0.0103 0.0102 0.0034 337 GLN 461 O 0.0103 0.0103 0.0032 338 GLN 461 CB 0.0114 0.0109 0.0036 339 GLN 461 CG 0.0121 0.0113 0.0041 340 GLN 461 CD 0.0124 0.0115 0.0043 341 GLN 461 NE2 0.0128 0.0115 0.0050 342 GLN 461 OE1 0.0122 0.0116 0.0038 343 VAL 462 N 0.0097 0.0099 0.0031 344 VAL 462 CA 0.0092 0.0097 0.0024 345 VAL 462 C 0.0086 0.0091 0.0027 346 VAL 462 O 0.0083 0.0090 0.0024 347 VAL 462 CB 0.0089 0.0098 0.0018 348 VAL 462 CG1 0.0096 0.0104 0.0016 349 VAL 462 CG2 0.0086 0.0094 0.0021 350 TRP 463 N 0.0084 0.0087 0.0033 351 TRP 463 CA 0.0078 0.0081 0.0035 352 TRP 463 C 0.0079 0.0079 0.0041 353 TRP 463 O 0.0074 0.0074 0.0041 354 TRP 463 CB 0.0075 0.0077 0.0037 355 TRP 463 CG 0.0071 0.0076 0.0031 356 TRP 463 CD1 0.0072 0.0078 0.0029 357 TRP 463 CD2 0.0065 0.0074 0.0025 358 TRP 463 CE2 0.0063 0.0075 0.0020 359 TRP 463 CE3 0.0061 0.0072 0.0023 360 TRP 463 NE1 0.0067 0.0077 0.0023 361 TRP 463 CZ2 0.0057 0.0073 0.0013 362 TRP 463 CZ3 0.0056 0.0070 0.0017 363 TRP 463 CH2 0.0054 0.0071 0.0012 364 GLU 464 N 0.0085 0.0082 0.0046 365 GLU 464 CA 0.0086 0.0080 0.0051 366 GLU 464 C 0.0085 0.0081 0.0047 367 GLU 464 O 0.0082 0.0077 0.0049 368 GLU 464 CB 0.0093 0.0084 0.0056 369 GLU 464 CG 0.0095 0.0082 0.0062 370 GLU 464 CD 0.0101 0.0085 0.0068 371 GLU 464 OE1 0.0105 0.0088 0.0069 372 GLU 464 OE2 0.0103 0.0084 0.0073 373 PRO 465 N 0.0087 0.0086 0.0041 374 PRO 465 CA 0.0085 0.0086 0.0037 375 PRO 465 C 0.0078 0.0083 0.0031 376 PRO 465 O 0.0076 0.0083 0.0028 377 PRO 465 CB 0.0091 0.0093 0.0033 378 PRO 465 CG 0.0093 0.0095 0.0031 379 PRO 465 CD 0.0092 0.0091 0.0038 380 LEU 466 N 0.0075 0.0082 0.0029 381 LEU 466 CA 0.0069 0.0079 0.0023 382 LEU 466 C 0.0063 0.0072 0.0027 383 LEU 466 O 0.0057 0.0070 0.0022 384 LEU 466 CB 0.0069 0.0081 0.0018 385 LEU 466 CG 0.0072 0.0087 0.0011 386 LEU 466 CD1 0.0071 0.0088 0.0007 387 LEU 466 CD2 0.0069 0.0087 0.0006 388 GLN 467 N 0.0064 0.0070 0.0034 389 GLN 467 CA 0.0058 0.0064 0.0038 390 GLN 467 C 0.0055 0.0061 0.0037 391 GLN 467 O 0.0049 0.0056 0.0036 392 GLN 467 CB 0.0061 0.0062 0.0047 393 GLN 467 CG 0.0067 0.0065 0.0051 394 GLN 467 CD 0.0070 0.0064 0.0059 395 GLN 467 NE2 0.0076 0.0067 0.0062 396 GLN 467 OE1 0.0067 0.0060 0.0062 397 ASP 468 N 0.0057 0.0063 0.0037 398 ASP 468 CA 0.0054 0.0060 0.0037 399 ASP 468 C 0.0051 0.0061 0.0029 400 ASP 468 O 0.0047 0.0058 0.0028 401 ASP 468 CB 0.0059 0.0063 0.0041 402 ASP 468 CG 0.0063 0.0063 0.0049 403 ASP 468 OD1 0.0061 0.0060 0.0052 404 ASP 468 OD2 0.0068 0.0067 0.0052 405 THR 469 N 0.0052 0.0064 0.0023 406 THR 469 CA 0.0049 0.0066 0.0015 407 THR 469 C 0.0042 0.0060 0.0012 408 THR 469 O 0.0039 0.0057 0.0014 409 THR 469 CB 0.0052 0.0070 0.0009 410 THR 469 CG2 0.0059 0.0076 0.0012 411 THR 469 OG1 0.0049 0.0068 0.0009 412 GLU 470 N 0.0039 0.0059 0.0009 413 GLU 470 CA 0.0032 0.0054 0.0006 414 GLU 470 C 0.0030 0.0055 -0.0001 415 GLU 470 O 0.0025 0.0051 -0.0002 416 GLU 470 CB 0.0030 0.0053 0.0004 417 GLU 470 CG 0.0033 0.0054 0.0009 418 GLU 470 CD 0.0031 0.0053 0.0007 419 GLU 470 OE1 0.0026 0.0051 0.0002 420 GLU 470 OE2 0.0034 0.0053 0.0011 421 HIS 471 N 0.0032 0.0060 -0.0006 422 HIS 471 CA 0.0031 0.0062 -0.0013 423 HIS 471 C 0.0037 0.0069 -0.0014 424 HIS 471 O 0.0042 0.0072 -0.0011 425 HIS 471 CB 0.0027 0.0063 -0.0021 426 HIS 471 CG 0.0022 0.0057 -0.0019 427 HIS 471 CD2 0.0022 0.0057 -0.0020 428 HIS 471 ND1 0.0017 0.0051 -0.0017 429 HIS 471 CE1 0.0013 0.0048 -0.0017 430 HIS 471 NE2 0.0016 0.0051 -0.0019 431 LEU 472 N 0.0037 0.0070 -0.0017 432 LEU 472 CA 0.0043 0.0076 -0.0018 433 LEU 472 C 0.0042 0.0079 -0.0027 434 LEU 472 O 0.0037 0.0076 -0.0031 435 LEU 472 CB 0.0044 0.0075 -0.0013 436 LEU 472 CG 0.0050 0.0080 -0.0012 437 LEU 472 CD1 0.0052 0.0078 -0.0003 438 LEU 472 CD2 0.0049 0.0082 -0.0018 439 ILE 473 N 0.0047 0.0085 -0.0029 440 ILE 473 CA 0.0047 0.0089 -0.0038 441 ILE 473 C 0.0052 0.0094 -0.0037 442 ILE 473 O 0.0058 0.0097 -0.0033 443 ILE 473 CB 0.0048 0.0092 -0.0042 444 ILE 473 CG1 0.0048 0.0096 -0.0051 445 ILE 473 CG2 0.0054 0.0095 -0.0038 446 ILE 473 CD1 0.0047 0.0098 -0.0056 447 MET 474 N 0.0052 0.0094 -0.0043 448 MET 474 CA 0.0057 0.0098 -0.0042 449 MET 474 C 0.0058 0.0103 -0.0050 450 MET 474 O 0.0053 0.0102 -0.0056 451 MET 474 CB 0.0054 0.0095 -0.0041 452 MET 474 CG 0.0052 0.0090 -0.0033 453 MET 474 SD 0.0050 0.0086 -0.0030 454 MET 474 CE 0.0057 0.0092 -0.0032 455 ASP 475 N 0.0064 0.0108 -0.0050 456 ASP 475 CA 0.0067 0.0113 -0.0057 457 ASP 475 C 0.0070 0.0115 -0.0057 458 ASP 475 O 0.0076 0.0119 -0.0055 459 ASP 475 CB 0.0072 0.0117 -0.0057 460 ASP 475 CG 0.0074 0.0122 -0.0065 461 ASP 475 OD1 0.0071 0.0122 -0.0070 462 ASP 475 OD2 0.0078 0.0126 -0.0065 463 LEU 476 N 0.0065 0.0114 -0.0060 464 LEU 476 CA 0.0068 0.0116 -0.0062 465 LEU 476 C 0.0067 0.0120 -0.0070 466 LEU 476 O 0.0067 0.0121 -0.0072 467 LEU 476 CB 0.0063 0.0111 -0.0059 468 LEU 476 CG 0.0056 0.0107 -0.0062 469 LEU 476 CD1 0.0053 0.0108 -0.0069 470 LEU 476 CD2 0.0053 0.0101 -0.0056 471 ARG 477 N 0.0068 0.0122 -0.0074 472 ARG 477 CA 0.0068 0.0126 -0.0082 473 ARG 477 C 0.0074 0.0131 -0.0083 474 ARG 477 O 0.0073 0.0132 -0.0087 475 ARG 477 CB 0.0069 0.0128 -0.0086 476 ARG 477 CG 0.0062 0.0124 -0.0086 477 ARG 477 CD 0.0064 0.0127 -0.0089 478 ARG 477 NE 0.0070 0.0128 -0.0083 479 ARG 477 CZ 0.0072 0.0130 -0.0084 480 ARG 477 NH1 0.0068 0.0130 -0.0089 481 ARG 477 NH2 0.0077 0.0131 -0.0078 482 GLN 478 N 0.0080 0.0133 -0.0078 483 GLN 478 CA 0.0086 0.0138 -0.0078 484 GLN 478 C 0.0088 0.0135 -0.0072 485 GLN 478 O 0.0093 0.0136 -0.0066 486 GLN 478 CB 0.0093 0.0142 -0.0077 487 GLN 478 CG 0.0099 0.0148 -0.0079 488 GLN 478 CD 0.0105 0.0152 -0.0079 489 GLN 478 NE2 0.0110 0.0157 -0.0079 490 GLN 478 OE1 0.0104 0.0151 -0.0077 491 ASN 479 N 0.0083 0.0132 -0.0073 492 ASN 479 CA 0.0084 0.0130 -0.0067 493 ASN 479 C 0.0080 0.0129 -0.0071 494 ASN 479 O 0.0074 0.0125 -0.0072 495 ASN 479 CB 0.0081 0.0124 -0.0061 496 ASN 479 CG 0.0081 0.0121 -0.0055 497 ASN 479 ND2 0.0077 0.0115 -0.0050 498 ASN 479 OD1 0.0085 0.0123 -0.0054 499 PRO 480 N 0.0084 0.0132 -0.0072 500 PRO 480 CA 0.0080 0.0130 -0.0075 501 PRO 480 C 0.0078 0.0123 -0.0069 502 PRO 480 O 0.0072 0.0120 -0.0071 503 PRO 480 CB 0.0084 0.0136 -0.0078 504 PRO 480 CG 0.0092 0.0139 -0.0073 505 PRO 480 CD 0.0092 0.0137 -0.0072 506 GLY 481 N 0.0082 0.0121 -0.0063 507 GLY 481 CA 0.0081 0.0115 -0.0057 508 GLY 481 C 0.0082 0.0114 -0.0055 509 GLY 481 O 0.0088 0.0115 -0.0050 510 GLY 482 N 0.0077 0.0114 -0.0059 511 GLY 482 CA 0.0077 0.0113 -0.0058 512 GLY 482 C 0.0072 0.0106 -0.0055 513 GLY 482 O 0.0065 0.0103 -0.0058 514 PRO 483 N 0.0075 0.0108 -0.0048 515 PRO 483 CA 0.0072 0.0104 -0.0045 516 PRO 483 C 0.0066 0.0099 -0.0042 517 PRO 483 O 0.0067 0.0099 -0.0040 518 PRO 483 CB 0.0076 0.0105 -0.0038 519 PRO 483 CG 0.0082 0.0110 -0.0040 520 PRO 483 CD 0.0081 0.0111 -0.0044 521 SER 484 N 0.0062 0.0096 -0.0043 522 SER 484 CA 0.0056 0.0091 -0.0041 523 SER 484 C 0.0055 0.0088 -0.0034 524 SER 484 O 0.0050 0.0084 -0.0033 525 SER 484 CB 0.0051 0.0089 -0.0047 526 SER 484 OG 0.0049 0.0088 -0.0047 527 THR 485 N 0.0060 0.0090 -0.0029 528 THR 485 CA 0.0059 0.0087 -0.0022 529 THR 485 C 0.0057 0.0085 -0.0017 530 THR 485 O 0.0054 0.0081 -0.0012 531 THR 485 CB 0.0064 0.0091 -0.0018 532 THR 485 CG2 0.0063 0.0088 -0.0012 533 THR 485 OG1 0.0067 0.0094 -0.0024 534 ALA 486 N 0.0062 0.0088 -0.0018 535 ALA 486 CA 0.0062 0.0086 -0.0014 536 ALA 486 C 0.0056 0.0083 -0.0017 537 ALA 486 O 0.0056 0.0082 -0.0014 538 ALA 486 CB 0.0068 0.0090 -0.0013 539 VAL 487 N 0.0052 0.0083 -0.0022 540 VAL 487 CA 0.0047 0.0081 -0.0025 541 VAL 487 C 0.0043 0.0075 -0.0020 542 VAL 487 O 0.0041 0.0074 -0.0019 543 VAL 487 CB 0.0043 0.0081 -0.0032 544 VAL 487 CG1 0.0036 0.0078 -0.0034 545 VAL 487 CG2 0.0046 0.0086 -0.0038 546 PRO 488 N 0.0041 0.0072 -0.0017 547 PRO 488 CA 0.0037 0.0067 -0.0012 548 PRO 488 C 0.0040 0.0067 -0.0006 549 PRO 488 O 0.0037 0.0063 -0.0004 550 PRO 488 CB 0.0035 0.0065 -0.0009 551 PRO 488 CG 0.0040 0.0069 -0.0010 552 PRO 488 CD 0.0042 0.0073 -0.0017 553 LEU 489 N 0.0047 0.0070 -0.0003 554 LEU 489 CA 0.0051 0.0070 0.0003 555 LEU 489 C 0.0051 0.0070 0.0002 556 LEU 489 O 0.0050 0.0067 0.0006 557 LEU 489 CB 0.0058 0.0074 0.0006 558 LEU 489 CG 0.0060 0.0072 0.0011 559 LEU 489 CD1 0.0057 0.0072 0.0007 560 LEU 489 CD2 0.0067 0.0075 0.0015 561 LEU 490 N 0.0052 0.0074 -0.0005 562 LEU 490 CA 0.0051 0.0075 -0.0007 563 LEU 490 C 0.0044 0.0071 -0.0008 564 LEU 490 O 0.0044 0.0069 -0.0006 565 LEU 490 CB 0.0053 0.0081 -0.0014 566 LEU 490 CG 0.0060 0.0085 -0.0013 567 LEU 490 CD1 0.0062 0.0090 -0.0020 568 LEU 490 CD2 0.0062 0.0084 -0.0008 569 LEU 491 N 0.0039 0.0069 -0.0011 570 LEU 491 CA 0.0033 0.0064 -0.0012 571 LEU 491 C 0.0031 0.0059 -0.0005 572 LEU 491 O 0.0026 0.0055 -0.0005 573 LEU 491 CB 0.0028 0.0063 -0.0017 574 LEU 491 CG 0.0028 0.0067 -0.0025 575 LEU 491 CD1 0.0023 0.0066 -0.0029 576 LEU 491 CD2 0.0025 0.0067 -0.0028 577 SER 492 N 0.0035 0.0059 0.0000 578 SER 492 CA 0.0034 0.0054 0.0008 579 SER 492 C 0.0035 0.0053 0.0011 580 SER 492 O 0.0032 0.0049 0.0015 581 SER 492 CB 0.0038 0.0055 0.0013 582 SER 492 OG 0.0044 0.0060 0.0015 583 TYR 493 N 0.0039 0.0058 0.0010 584 TYR 493 CA 0.0041 0.0058 0.0013 585 TYR 493 C 0.0035 0.0054 0.0011 586 TYR 493 O 0.0034 0.0051 0.0015 587 TYR 493 CB 0.0047 0.0064 0.0012 588 TYR 493 CG 0.0053 0.0066 0.0017 589 TYR 493 CD1 0.0055 0.0070 0.0015 590 TYR 493 CD2 0.0056 0.0066 0.0024 591 TYR 493 CE1 0.0061 0.0072 0.0020 592 TYR 493 CE2 0.0062 0.0068 0.0028 593 TYR 493 CZ 0.0064 0.0071 0.0026 594 TYR 493 OH 0.0070 0.0074 0.0031 595 PHE 494 N 0.0032 0.0055 0.0003 596 PHE 494 CA 0.0026 0.0052 0.0000 597 PHE 494 C 0.0021 0.0046 0.0002 598 PHE 494 O 0.0018 0.0046 -0.0002 599 PHE 494 CB 0.0025 0.0055 -0.0008 600 PHE 494 CG 0.0031 0.0062 -0.0010 601 PHE 494 CD1 0.0033 0.0063 -0.0009 602 PHE 494 CD2 0.0035 0.0066 -0.0013 603 PHE 494 CE1 0.0038 0.0068 -0.0011 604 PHE 494 CE2 0.0040 0.0072 -0.0014 605 PHE 494 CZ 0.0042 0.0073 -0.0014 606 GLN 495 N 0.0020 0.0043 0.0007 607 GLN 495 CA 0.0016 0.0038 0.0009 608 GLN 495 C 0.0010 0.0034 0.0004 609 GLN 495 O 0.0006 0.0031 0.0003 610 GLN 495 CB 0.0015 0.0034 0.0017 611 GLN 495 CG 0.0012 0.0031 0.0017 612 GLN 495 CD 0.0011 0.0027 0.0025 613 GLN 495 NE2 0.0007 0.0023 0.0025 614 GLN 495 OE1 0.0014 0.0027 0.0031 615 GLY 496 N 0.0008 0.0035 -0.0001 616 GLY 496 CA 0.0003 0.0031 -0.0006 617 GLY 496 C -0.0002 0.0025 -0.0003 618 GLY 496 O -0.0000 0.0024 0.0004 619 PRO 497 N -0.0007 0.0022 -0.0007 620 PRO 497 CA -0.0012 0.0016 -0.0004 621 PRO 497 C -0.0013 0.0012 0.0003 622 PRO 497 O -0.0014 0.0008 0.0008 623 PRO 497 CB -0.0017 0.0013 -0.0011 624 PRO 497 CG -0.0015 0.0019 -0.0018 625 PRO 497 CD -0.0009 0.0023 -0.0015 626 ASP 498 N -0.0012 0.0014 0.0003 627 ASP 498 CA -0.0014 0.0010 0.0009 628 ASP 498 C -0.0008 0.0013 0.0014 629 ASP 498 O -0.0005 0.0017 0.0012 630 ASP 498 CB -0.0018 0.0008 0.0005 631 ASP 498 CG -0.0024 0.0003 0.0002 632 ASP 498 OD1 -0.0027 -0.0000 0.0006 633 ASP 498 OD2 -0.0027 0.0003 -0.0004 634 PRO 499 N -0.0007 0.0011 0.0021 635 PRO 499 CA -0.0002 0.0014 0.0026 636 PRO 499 C -0.0002 0.0013 0.0027 637 PRO 499 O 0.0003 0.0017 0.0029 638 PRO 499 CB -0.0002 0.0010 0.0034 639 PRO 499 CG -0.0006 0.0008 0.0031 640 PRO 499 CD -0.0011 0.0006 0.0024 641 GLY 500 N -0.0007 0.0009 0.0026 642 GLY 500 CA -0.0007 0.0009 0.0026 643 GLY 500 C -0.0004 0.0014 0.0021 644 GLY 500 O -0.0005 0.0016 0.0015 645 PRO 501 N -0.0000 0.0016 0.0021 646 PRO 501 CA 0.0002 0.0020 0.0017 647 PRO 501 C -0.0003 0.0019 0.0011 648 PRO 501 O -0.0008 0.0015 0.0012 649 PRO 501 CB 0.0005 0.0020 0.0021 650 PRO 501 CG 0.0006 0.0017 0.0028 651 PRO 501 CD 0.0002 0.0014 0.0028 652 VAL 502 N -0.0002 0.0023 0.0005 653 VAL 502 CA -0.0007 0.0023 -0.0001 654 VAL 502 C -0.0003 0.0028 -0.0005 655 VAL 502 O 0.0002 0.0032 -0.0005 656 VAL 502 CB -0.0010 0.0023 -0.0005 657 VAL 502 CG1 -0.0006 0.0027 -0.0008 658 VAL 502 CG2 -0.0016 0.0021 -0.0011 659 ARG 503 N -0.0007 0.0028 -0.0009 660 ARG 503 CA -0.0004 0.0032 -0.0014 661 ARG 503 C -0.0003 0.0036 -0.0019 662 ARG 503 O -0.0007 0.0034 -0.0022 663 ARG 503 CB -0.0008 0.0030 -0.0017 664 ARG 503 CG -0.0014 0.0028 -0.0021 665 ARG 503 CD -0.0018 0.0026 -0.0023 666 ARG 503 NE -0.0024 0.0024 -0.0028 667 ARG 503 CZ -0.0025 0.0027 -0.0035 668 ARG 503 NH1 -0.0021 0.0032 -0.0038 669 ARG 503 NH2 -0.0031 0.0025 -0.0039 670 LEU 504 N 0.0000 0.0043 -0.0021 671 LEU 504 CA 0.0001 0.0047 -0.0025 672 LEU 504 C -0.0001 0.0050 -0.0030 673 LEU 504 O -0.0004 0.0050 -0.0034 674 LEU 504 CB 0.0007 0.0051 -0.0023 675 LEU 504 CG 0.0010 0.0049 -0.0017 676 LEU 504 CD1 0.0016 0.0052 -0.0016 677 LEU 504 CD2 0.0008 0.0046 -0.0017 678 PHE 505 N 0.0000 0.0051 -0.0030 679 PHE 505 CA -0.0001 0.0053 -0.0035 680 PHE 505 C -0.0002 0.0052 -0.0034 681 PHE 505 O 0.0001 0.0051 -0.0030 682 PHE 505 CB 0.0002 0.0059 -0.0038 683 PHE 505 CG 0.0008 0.0061 -0.0035 684 PHE 505 CD1 0.0011 0.0061 -0.0031 685 PHE 505 CD2 0.0010 0.0063 -0.0036 686 PHE 505 CE1 0.0017 0.0062 -0.0028 687 PHE 505 CE2 0.0015 0.0065 -0.0033 688 PHE 505 CZ 0.0019 0.0065 -0.0029 689 THR 506 N -0.0006 0.0052 -0.0038 690 THR 506 CA -0.0007 0.0051 -0.0038 691 THR 506 C -0.0005 0.0055 -0.0042 692 THR 506 O -0.0007 0.0058 -0.0047 693 THR 506 CB -0.0013 0.0047 -0.0039 694 THR 506 CG2 -0.0014 0.0043 -0.0035 695 THR 506 OG1 -0.0016 0.0049 -0.0045 696 THR 507 N 0.0003 0.0062 -0.0047 697 THR 507 CA -0.0001 0.0060 -0.0045 698 THR 507 C -0.0003 0.0058 -0.0044 699 THR 507 O -0.0003 0.0055 -0.0046 700 THR 507 CB -0.0000 0.0058 -0.0047 701 THR 507 CG2 0.0001 0.0055 -0.0050 702 THR 507 OG1 -0.0004 0.0056 -0.0045 703 TYR 508 N -0.0006 0.0058 -0.0040 704 TYR 508 CA -0.0009 0.0055 -0.0039 705 TYR 508 C -0.0012 0.0053 -0.0037 706 TYR 508 O -0.0012 0.0055 -0.0036 707 TYR 508 CB -0.0010 0.0058 -0.0036 708 TYR 508 CG -0.0014 0.0056 -0.0034 709 TYR 508 CD1 -0.0015 0.0053 -0.0035 710 TYR 508 CD2 -0.0016 0.0058 -0.0030 711 TYR 508 CE1 -0.0018 0.0051 -0.0032 712 TYR 508 CE2 -0.0019 0.0056 -0.0028 713 TYR 508 CZ -0.0020 0.0053 -0.0029 714 TYR 508 OH -0.0024 0.0051 -0.0026 715 ASP 509 N -0.0014 0.0050 -0.0038 716 ASP 509 CA -0.0017 0.0047 -0.0037 717 ASP 509 C -0.0020 0.0046 -0.0034 718 ASP 509 O -0.0021 0.0044 -0.0035 719 ASP 509 CB -0.0017 0.0043 -0.0040 720 ASP 509 CG -0.0019 0.0041 -0.0038 721 ASP 509 OD1 -0.0021 0.0043 -0.0036 722 ASP 509 OD2 -0.0020 0.0037 -0.0040 723 ARG 510 N -0.0028 0.0048 -0.0030 724 ARG 510 CA -0.0030 0.0046 -0.0018 725 ARG 510 C -0.0033 0.0035 -0.0018 726 ARG 510 O -0.0034 0.0034 -0.0011 727 ARG 510 CB -0.0031 0.0046 -0.0009 728 ARG 510 CG -0.0033 0.0045 0.0003 729 ARG 510 CD -0.0035 0.0040 0.0011 730 ARG 510 NE -0.0034 0.0050 0.0017 731 ARG 510 CZ -0.0035 0.0049 0.0025 732 ARG 510 NH1 -0.0038 0.0038 0.0029 733 ARG 510 NH2 -0.0033 0.0058 0.0029 734 ARG 511 N -0.0034 0.0026 -0.0026 735 ARG 511 CA -0.0036 0.0015 -0.0026 736 ARG 511 C -0.0035 0.0017 -0.0030 737 ARG 511 O -0.0037 0.0013 -0.0025 738 ARG 511 CB -0.0037 0.0007 -0.0035 739 ARG 511 CG -0.0039 0.0002 -0.0030 740 ARG 511 CD -0.0039 -0.0005 -0.0039 741 ARG 511 NE -0.0036 0.0002 -0.0050 742 ARG 511 CZ -0.0035 0.0005 -0.0053 743 ARG 511 NH1 -0.0037 0.0002 -0.0048 744 ARG 511 NH2 -0.0033 0.0011 -0.0063 745 THR 512 N -0.0033 0.0023 -0.0040 746 THR 512 CA -0.0032 0.0024 -0.0046 747 THR 512 C -0.0029 0.0035 -0.0043 748 THR 512 O -0.0029 0.0037 -0.0046 749 THR 512 CB -0.0031 0.0022 -0.0059 750 THR 512 CG2 -0.0033 0.0010 -0.0062 751 THR 512 OG1 -0.0028 0.0031 -0.0064 752 ASN 513 N -0.0023 0.0041 -0.0040 753 ASN 513 CA -0.0021 0.0042 -0.0040 754 ASN 513 C -0.0019 0.0042 -0.0042 755 ASN 513 O -0.0018 0.0042 -0.0044 756 ASN 513 CB -0.0023 0.0041 -0.0039 757 ASN 513 CG -0.0021 0.0043 -0.0038 758 ASN 513 ND2 -0.0022 0.0042 -0.0039 759 ASN 513 OD1 -0.0019 0.0045 -0.0038 760 VAL 514 N -0.0018 0.0043 -0.0043 761 VAL 514 CA -0.0015 0.0043 -0.0046 762 VAL 514 C -0.0013 0.0045 -0.0045 763 VAL 514 O -0.0013 0.0046 -0.0043 764 VAL 514 CB -0.0016 0.0041 -0.0048 765 VAL 514 CG1 -0.0014 0.0041 -0.0050 766 VAL 514 CG2 -0.0018 0.0039 -0.0049 767 THR 515 N -0.0010 0.0046 -0.0045 768 THR 515 CA -0.0008 0.0048 -0.0045 769 THR 515 C -0.0006 0.0048 -0.0048 770 THR 515 O -0.0005 0.0047 -0.0050 771 THR 515 CB -0.0006 0.0050 -0.0044 772 THR 515 CG2 -0.0008 0.0051 -0.0041 773 THR 515 OG1 -0.0005 0.0049 -0.0046 774 GLN 516 N -0.0004 0.0047 -0.0033 775 GLN 516 CA -0.0000 0.0045 -0.0027 776 GLN 516 C -0.0001 0.0044 -0.0027 777 GLN 516 O -0.0001 0.0047 -0.0030 778 GLN 516 CB 0.0005 0.0050 -0.0026 779 GLN 516 CG 0.0009 0.0049 -0.0021 780 GLN 516 CD 0.0014 0.0054 -0.0020 781 GLN 516 NE2 0.0018 0.0054 -0.0015 782 GLN 516 OE1 0.0014 0.0058 -0.0023 783 GLU 517 N -0.0001 0.0040 -0.0023 784 GLU 517 CA -0.0001 0.0038 -0.0022 785 GLU 517 C 0.0004 0.0040 -0.0018 786 GLU 517 O 0.0007 0.0039 -0.0014 787 GLU 517 CB -0.0004 0.0032 -0.0019 788 GLU 517 CG -0.0009 0.0030 -0.0023 789 GLU 517 CD -0.0012 0.0031 -0.0027 790 GLU 517 OE1 -0.0011 0.0032 -0.0026 791 GLU 517 OE2 -0.0016 0.0032 -0.0031 792 HIS 518 N 0.0006 0.0043 -0.0019 793 HIS 518 CA 0.0011 0.0046 -0.0016 794 HIS 518 C 0.0011 0.0042 -0.0013 795 HIS 518 O 0.0010 0.0044 -0.0014 796 HIS 518 CB 0.0012 0.0052 -0.0019 797 HIS 518 CG 0.0014 0.0056 -0.0021 798 HIS 518 CD2 0.0011 0.0057 -0.0025 799 HIS 518 ND1 0.0019 0.0059 -0.0019 800 HIS 518 CE1 0.0019 0.0062 -0.0022 801 HIS 518 NE2 0.0014 0.0061 -0.0025 802 TYR 519 N 0.0011 0.0041 -0.0006 803 TYR 519 CA 0.0010 0.0037 -0.0002 804 TYR 519 C 0.0015 0.0040 0.0002 805 TYR 519 O 0.0020 0.0045 0.0002 806 TYR 519 CB 0.0008 0.0032 0.0004 807 TYR 519 CG 0.0002 0.0027 0.0002 808 TYR 519 CD1 -0.0001 0.0028 -0.0004 809 TYR 519 CD2 -0.0002 0.0021 0.0006 810 TYR 519 CE1 -0.0007 0.0023 -0.0006 811 TYR 519 CE2 -0.0007 0.0017 0.0004 812 TYR 519 CZ -0.0010 0.0018 -0.0002 813 TYR 519 OH -0.0016 0.0013 -0.0004 814 SER 520 N 0.0013 0.0037 0.0003 815 SER 520 CA 0.0017 0.0040 0.0006 816 SER 520 C 0.0022 0.0040 0.0014 817 SER 520 O 0.0020 0.0035 0.0019 818 SER 520 CB 0.0015 0.0037 0.0007 819 SER 520 OG 0.0011 0.0031 0.0012 820 HIS 521 N 0.0027 0.0045 0.0015 821 HIS 521 CA 0.0032 0.0045 0.0022 822 HIS 521 C 0.0032 0.0042 0.0027 823 HIS 521 O 0.0034 0.0045 0.0027 824 HIS 521 CB 0.0038 0.0052 0.0022 825 HIS 521 CG 0.0043 0.0052 0.0029 826 HIS 521 CD2 0.0043 0.0048 0.0035 827 HIS 521 ND1 0.0048 0.0057 0.0030 828 HIS 521 CE1 0.0052 0.0056 0.0037 829 HIS 521 NE2 0.0048 0.0051 0.0040 830 THR 522 N 0.0030 0.0038 0.0033 831 THR 522 CA 0.0029 0.0034 0.0038 832 THR 522 C 0.0034 0.0035 0.0046 833 THR 522 O 0.0034 0.0032 0.0051 834 THR 522 CB 0.0023 0.0028 0.0039 835 THR 522 CG2 0.0023 0.0026 0.0042 836 THR 522 OG1 0.0023 0.0024 0.0045 837 GLU 523 N 0.0039 0.0040 0.0046 838 GLU 523 CA 0.0044 0.0041 0.0053 839 GLU 523 C 0.0050 0.0047 0.0052 840 GLU 523 O 0.0055 0.0050 0.0056 841 GLU 523 CB 0.0046 0.0041 0.0056 842 GLU 523 CG 0.0041 0.0035 0.0057 843 GLU 523 CD 0.0039 0.0030 0.0064 844 GLU 523 OE1 0.0042 0.0030 0.0070 845 GLU 523 OE2 0.0035 0.0026 0.0063 846 LEU 524 N 0.0049 0.0048 0.0047 847 LEU 524 CA 0.0054 0.0054 0.0046 848 LEU 524 C 0.0057 0.0054 0.0052 849 LEU 524 O 0.0054 0.0049 0.0056 850 LEU 524 CB 0.0051 0.0055 0.0039 851 LEU 524 CG 0.0046 0.0051 0.0039 852 LEU 524 CD1 0.0048 0.0053 0.0037 853 LEU 524 CD2 0.0040 0.0048 0.0034 854 LEU 525 N 0.0065 0.0060 0.0057 855 LEU 525 CA 0.0068 0.0060 0.0063 856 LEU 525 C 0.0068 0.0062 0.0059 857 LEU 525 O 0.0072 0.0067 0.0057 858 LEU 525 CB 0.0075 0.0065 0.0066 859 LEU 525 CG 0.0077 0.0063 0.0074 860 LEU 525 CD1 0.0073 0.0058 0.0080 861 LEU 525 CD2 0.0075 0.0062 0.0073 862 GLY 526 N 0.0062 0.0057 0.0057 863 GLY 526 CA 0.0061 0.0058 0.0052 864 GLY 526 C 0.0056 0.0053 0.0054 865 GLY 526 O 0.0053 0.0048 0.0059 866 GLN 527 N 0.0054 0.0053 0.0050 867 GLN 527 CA 0.0049 0.0048 0.0051 868 GLN 527 C 0.0042 0.0045 0.0046 869 GLN 527 O 0.0038 0.0040 0.0046 870 GLN 527 CB 0.0051 0.0050 0.0050 871 GLN 527 CG 0.0053 0.0056 0.0042 872 GLN 527 CD 0.0060 0.0061 0.0044 873 GLN 527 NE2 0.0062 0.0065 0.0040 874 GLN 527 OE1 0.0064 0.0063 0.0049 875 ARG 528 N 0.0041 0.0047 0.0040 876 ARG 528 CA 0.0035 0.0044 0.0034 877 ARG 528 C 0.0033 0.0044 0.0029 878 ARG 528 O 0.0028 0.0039 0.0030 879 ARG 528 CB 0.0031 0.0038 0.0038 880 ARG 528 CG 0.0031 0.0038 0.0039 881 ARG 528 CD 0.0025 0.0034 0.0035 882 ARG 528 NE 0.0025 0.0037 0.0029 883 ARG 528 CZ 0.0023 0.0035 0.0028 884 ARG 528 NH1 0.0020 0.0030 0.0032 885 ARG 528 NH2 0.0023 0.0038 0.0022 886 TYR 529 N 0.0036 0.0049 0.0026 887 TYR 529 CA 0.0035 0.0049 0.0022 888 TYR 529 C 0.0028 0.0046 0.0017 889 TYR 529 O 0.0027 0.0046 0.0012 890 TYR 529 CB 0.0039 0.0056 0.0018 891 TYR 529 CG 0.0038 0.0057 0.0014 892 TYR 529 CD1 0.0037 0.0059 0.0006 893 TYR 529 CD2 0.0039 0.0056 0.0018 894 TYR 529 CE1 0.0036 0.0060 0.0002 895 TYR 529 CE2 0.0039 0.0057 0.0014 896 TYR 529 CZ 0.0037 0.0059 0.0006 897 TYR 529 OH 0.0036 0.0060 0.0003 898 SER 530 N 0.0025 0.0042 0.0017 899 SER 530 CA 0.0018 0.0038 0.0012 900 SER 530 C 0.0017 0.0041 0.0004 901 SER 530 O 0.0020 0.0045 0.0003 902 SER 530 CB 0.0015 0.0033 0.0016 903 SER 530 OG 0.0015 0.0034 0.0014 904 THR 531 N 0.0011 0.0041 -0.0002 905 THR 531 CA 0.0010 0.0043 -0.0011 906 THR 531 C 0.0007 0.0040 -0.0011 907 THR 531 O 0.0006 0.0041 -0.0017 908 THR 531 CB 0.0007 0.0042 -0.0016 909 THR 531 CG2 0.0001 0.0035 -0.0016 910 THR 531 OG1 0.0007 0.0045 -0.0024 911 GLN 532 N 0.0005 0.0035 -0.0005 912 GLN 532 CA 0.0002 0.0032 -0.0006 913 GLN 532 C 0.0006 0.0037 -0.0006 914 GLN 532 O 0.0011 0.0041 -0.0002 915 GLN 532 CB -0.0001 0.0027 0.0002 916 GLN 532 CG -0.0007 0.0020 0.0000 917 GLN 532 CD -0.0007 0.0020 -0.0000 918 GLN 532 NE2 -0.0012 0.0017 -0.0005 919 GLN 532 OE1 -0.0003 0.0023 0.0004 920 GLY 533 N 0.0004 0.0036 -0.0011 921 GLY 533 CA 0.0007 0.0041 -0.0012 922 GLY 533 C 0.0009 0.0046 -0.0020 923 GLY 533 O 0.0011 0.0049 -0.0023 924 GLY 534 N 0.0008 0.0047 -0.0022 925 GLY 534 CA 0.0009 0.0052 -0.0030 926 GLY 534 C 0.0016 0.0058 -0.0029 927 GLY 534 O 0.0020 0.0061 -0.0025 928 VAL 535 N 0.0017 0.0061 -0.0034 929 VAL 535 CA 0.0023 0.0068 -0.0034 930 VAL 535 C 0.0022 0.0071 -0.0043 931 VAL 535 O 0.0018 0.0069 -0.0048 932 VAL 535 CB 0.0026 0.0068 -0.0030 933 VAL 535 CG1 0.0027 0.0066 -0.0021 934 VAL 535 CG2 0.0021 0.0065 -0.0032 935 TYR 536 N 0.0026 0.0077 -0.0046 936 TYR 536 CA 0.0026 0.0080 -0.0054 937 TYR 536 C 0.0032 0.0086 -0.0055 938 TYR 536 O 0.0037 0.0090 -0.0051 939 TYR 536 CB 0.0026 0.0081 -0.0058 940 TYR 536 CG 0.0021 0.0076 -0.0055 941 TYR 536 CD1 0.0015 0.0071 -0.0059 942 TYR 536 CD2 0.0023 0.0075 -0.0049 943 TYR 536 CE1 0.0011 0.0066 -0.0057 944 TYR 536 CE2 0.0019 0.0070 -0.0047 945 TYR 536 CZ 0.0013 0.0065 -0.0051 946 TYR 536 OH 0.0009 0.0060 -0.0048 947 LEU 537 N 0.0031 0.0088 -0.0061 948 LEU 537 CA 0.0036 0.0093 -0.0063 949 LEU 537 C 0.0037 0.0098 -0.0070 950 LEU 537 O 0.0033 0.0097 -0.0075 951 LEU 537 CB 0.0034 0.0091 -0.0063 952 LEU 537 CG 0.0032 0.0086 -0.0057 953 LEU 537 CD1 0.0031 0.0086 -0.0058 954 LEU 537 CD2 0.0037 0.0087 -0.0050 955 LEU 538 N 0.0043 0.0103 -0.0070 956 LEU 538 CA 0.0045 0.0108 -0.0076 957 LEU 538 C 0.0047 0.0110 -0.0080 958 LEU 538 O 0.0051 0.0113 -0.0077 959 LEU 538 CB 0.0051 0.0112 -0.0075 960 LEU 538 CG 0.0050 0.0109 -0.0072 961 LEU 538 CD1 0.0057 0.0113 -0.0070 962 LEU 538 CD2 0.0045 0.0108 -0.0078 963 ILE 539 N 0.0042 0.0109 -0.0086 964 ILE 539 CA 0.0042 0.0112 -0.0089 965 ILE 539 C 0.0044 0.0117 -0.0096 966 ILE 539 O 0.0040 0.0116 -0.0101 967 ILE 539 CB 0.0036 0.0107 -0.0090 968 ILE 539 CG1 0.0034 0.0109 -0.0097 969 ILE 539 CG2 0.0030 0.0102 -0.0090 970 ILE 539 CD1 0.0027 0.0104 -0.0099 971 SER 540 N 0.0051 0.0121 -0.0097 972 SER 540 CA 0.0053 0.0127 -0.0104 973 SER 540 C 0.0050 0.0128 -0.0109 974 SER 540 O 0.0045 0.0124 -0.0108 975 SER 540 CB 0.0061 0.0131 -0.0102 976 SER 540 OG 0.0063 0.0135 -0.0105 977 HIS 541 N 0.0054 0.0133 -0.0114 978 HIS 541 CA 0.0052 0.0134 -0.0118 979 HIS 541 C 0.0057 0.0135 -0.0114 980 HIS 541 O 0.0056 0.0137 -0.0117 981 HIS 541 CB 0.0053 0.0139 -0.0126 982 HIS 541 CG 0.0046 0.0138 -0.0133 983 HIS 541 CD2 0.0043 0.0137 -0.0135 984 HIS 541 ND1 0.0042 0.0138 -0.0137 985 HIS 541 CE1 0.0037 0.0137 -0.0142 986 HIS 541 NE2 0.0038 0.0136 -0.0141 987 ARG 542 N 0.0062 0.0135 -0.0108 988 ARG 542 CA 0.0067 0.0137 -0.0104 989 ARG 542 C 0.0067 0.0132 -0.0096 990 ARG 542 O 0.0072 0.0134 -0.0091 991 ARG 542 CB 0.0075 0.0142 -0.0104 992 ARG 542 CG 0.0075 0.0144 -0.0106 993 ARG 542 CD 0.0081 0.0146 -0.0102 994 ARG 542 NE 0.0079 0.0143 -0.0100 995 ARG 542 CZ 0.0084 0.0146 -0.0099 996 ARG 542 NH1 0.0090 0.0151 -0.0099 997 ARG 542 NH2 0.0081 0.0143 -0.0097 998 THR 543 N 0.0062 0.0126 -0.0096 999 THR 543 CA 0.0061 0.0120 -0.0089 1000 THR 543 C 0.0061 0.0119 -0.0087 1001 THR 543 O 0.0062 0.0115 -0.0081 1002 THR 543 CB 0.0055 0.0115 -0.0088 1003 THR 543 CG2 0.0053 0.0118 -0.0093 1004 THR 543 OG1 0.0049 0.0112 -0.0089 1005 ALA 544 N 0.0059 0.0122 -0.0093 1006 ALA 544 CA 0.0059 0.0121 -0.0092 1007 ALA 544 C 0.0054 0.0115 -0.0088 1008 ALA 544 O 0.0047 0.0112 -0.0090 1009 ALA 544 CB 0.0067 0.0123 -0.0088 1010 THR 545 N 0.0056 0.0112 -0.0082 1011 THR 545 CA 0.0051 0.0106 -0.0078 1012 THR 545 C 0.0051 0.0101 -0.0072 1013 THR 545 O 0.0046 0.0097 -0.0071 1014 THR 545 CB 0.0052 0.0106 -0.0077 1015 THR 545 CG2 0.0059 0.0110 -0.0077 1016 THR 545 OG1 0.0051 0.0100 -0.0071 1017 ALA 546 N 0.0056 0.0104 -0.0067 1018 ALA 546 CA 0.0056 0.0100 -0.0060 1019 ALA 546 C 0.0054 0.0099 -0.0061 1020 ALA 546 O 0.0050 0.0095 -0.0058 1021 ALA 546 CB 0.0063 0.0101 -0.0056 1022 ALA 547 N 0.0056 0.0103 -0.0065 1023 ALA 547 CA 0.0054 0.0102 -0.0066 1024 ALA 547 C 0.0047 0.0100 -0.0069 1025 ALA 547 O 0.0044 0.0097 -0.0067 1026 ALA 547 CB 0.0059 0.0107 -0.0069 1027 GLU 548 N 0.0044 0.0102 -0.0074 1028 GLU 548 CA 0.0037 0.0100 -0.0077 1029 GLU 548 C 0.0033 0.0095 -0.0073 1030 GLU 548 O 0.0028 0.0092 -0.0073 1031 GLU 548 CB 0.0036 0.0103 -0.0083 1032 GLU 548 CG 0.0028 0.0101 -0.0086 1033 GLU 548 CD 0.0027 0.0104 -0.0090 1034 GLU 548 OE1 0.0031 0.0106 -0.0090 1035 GLU 548 OE2 0.0021 0.0103 -0.0095 1036 GLU 549 N 0.0035 0.0094 -0.0068 1037 GLU 549 CA 0.0031 0.0089 -0.0063 1038 GLU 549 C 0.0030 0.0085 -0.0059 1039 GLU 549 O 0.0024 0.0081 -0.0058 1040 GLU 549 CB 0.0035 0.0088 -0.0059 1041 GLU 549 CG 0.0033 0.0089 -0.0062 1042 GLU 549 CD 0.0026 0.0084 -0.0060 1043 GLU 549 OE1 0.0026 0.0080 -0.0054 1044 GLU 549 OE2 0.0022 0.0084 -0.0065 1045 LEU 550 N 0.0035 0.0087 -0.0056 1046 LEU 550 CA 0.0034 0.0084 -0.0052 1047 LEU 550 C 0.0030 0.0084 -0.0057 1048 LEU 550 O 0.0025 0.0080 -0.0054 1049 LEU 550 CB 0.0041 0.0087 -0.0049 1050 LEU 550 CG 0.0042 0.0084 -0.0043 1051 LEU 550 CD1 0.0043 0.0080 -0.0037 1052 LEU 550 CD2 0.0048 0.0087 -0.0042 1053 ALA 551 N 0.0030 0.0088 -0.0063 1054 ALA 551 CA 0.0026 0.0088 -0.0068 1055 ALA 551 C 0.0019 0.0085 -0.0069 1056 ALA 551 O 0.0014 0.0082 -0.0069 1057 ALA 551 CB 0.0029 0.0093 -0.0074 1058 PHE 552 N 0.0017 0.0086 -0.0070 1059 PHE 552 CA 0.0011 0.0083 -0.0072 1060 PHE 552 C 0.0007 0.0078 -0.0066 1061 PHE 552 O 0.0002 0.0075 -0.0067 1062 PHE 552 CB 0.0010 0.0084 -0.0073 1063 PHE 552 CG 0.0004 0.0080 -0.0074 1064 PHE 552 CD1 -0.0001 0.0080 -0.0080 1065 PHE 552 CD2 0.0002 0.0077 -0.0070 1066 PHE 552 CE1 -0.0008 0.0077 -0.0081 1067 PHE 552 CE2 -0.0004 0.0073 -0.0070 1068 PHE 552 CZ -0.0009 0.0074 -0.0076 1069 LEU 553 N 0.0011 0.0076 -0.0060 1070 LEU 553 CA 0.0008 0.0071 -0.0054 1071 LEU 553 C 0.0007 0.0070 -0.0053 1072 LEU 553 O 0.0002 0.0067 -0.0053 1073 LEU 553 CB 0.0012 0.0070 -0.0048 1074 LEU 553 CG 0.0011 0.0070 -0.0049 1075 LEU 553 CD1 0.0017 0.0070 -0.0043 1076 LEU 553 CD2 0.0005 0.0066 -0.0048 1077 MET 554 N 0.0012 0.0073 -0.0053 1078 MET 554 CA 0.0011 0.0072 -0.0051 1079 MET 554 C 0.0006 0.0071 -0.0057 1080 MET 554 O 0.0003 0.0069 -0.0055 1081 MET 554 CB 0.0017 0.0075 -0.0050 1082 MET 554 CG 0.0022 0.0074 -0.0044 1083 MET 554 SD 0.0024 0.0072 -0.0039 1084 MET 554 CE 0.0033 0.0077 -0.0039 1085 GLN 555 N 0.0004 0.0069 -0.0064 1086 GLN 555 CA -0.0002 0.0068 -0.0069 1087 GLN 555 C -0.0008 0.0064 -0.0067 1088 GLN 555 O -0.0013 0.0062 -0.0068 1089 GLN 555 CB -0.0001 0.0072 -0.0076 1090 GLN 555 CG -0.0007 0.0072 -0.0081 1091 GLN 555 CD -0.0007 0.0075 -0.0088 1092 GLN 555 NE2 -0.0012 0.0074 -0.0092 1093 GLN 555 OE1 -0.0001 0.0079 -0.0089 1094 SER 556 N -0.0007 0.0064 -0.0066 1095 SER 556 CA -0.0013 0.0060 -0.0065 1096 SER 556 C -0.0015 0.0056 -0.0059 1097 SER 556 O -0.0021 0.0052 -0.0059 1098 SER 556 CB -0.0012 0.0060 -0.0064 1099 SER 556 OG -0.0011 0.0063 -0.0070 1100 LEU 557 N -0.0011 0.0055 -0.0053 1101 LEU 557 CA -0.0012 0.0051 -0.0047 1102 LEU 557 C -0.0015 0.0051 -0.0048 1103 LEU 557 O -0.0017 0.0047 -0.0044 1104 LEU 557 CB -0.0006 0.0052 -0.0041 1105 LEU 557 CG -0.0004 0.0053 -0.0039 1106 LEU 557 CD1 0.0003 0.0054 -0.0035 1107 LEU 557 CD2 -0.0008 0.0048 -0.0035 1108 GLY 558 N -0.0012 0.0049 -0.0055 1109 GLY 558 CA -0.0014 0.0048 -0.0056 1110 GLY 558 C -0.0010 0.0048 -0.0050 1111 GLY 558 O -0.0012 0.0046 -0.0049 1112 TRP 559 N -0.0005 0.0051 -0.0046 1113 TRP 559 CA -0.0000 0.0051 -0.0040 1114 TRP 559 C 0.0004 0.0056 -0.0043 1115 TRP 559 O 0.0007 0.0056 -0.0039 1116 TRP 559 CB 0.0004 0.0052 -0.0034 1117 TRP 559 CG 0.0001 0.0048 -0.0031 1118 TRP 559 CD1 -0.0006 0.0043 -0.0032 1119 TRP 559 CD2 0.0003 0.0048 -0.0026 1120 TRP 559 CE2 -0.0002 0.0043 -0.0025 1121 TRP 559 CE3 0.0010 0.0051 -0.0023 1122 TRP 559 NE1 -0.0007 0.0040 -0.0029 1123 TRP 559 CZ2 -0.0000 0.0042 -0.0020 1124 TRP 559 CZ3 0.0011 0.0050 -0.0018 1125 TRP 559 CH2 0.0006 0.0045 -0.0017 1126 ALA 560 N 0.0004 0.0059 -0.0050 1127 ALA 560 CA 0.0008 0.0064 -0.0053 1128 ALA 560 C 0.0005 0.0065 -0.0062 1129 ALA 560 O 0.0000 0.0063 -0.0065 1130 ALA 560 CB 0.0015 0.0069 -0.0052 1131 THR 561 N 0.0005 0.0067 -0.0062 1132 THR 561 CA 0.0003 0.0070 -0.0070 1133 THR 561 C 0.0009 0.0076 -0.0073 1134 THR 561 O 0.0014 0.0079 -0.0069 1135 THR 561 CB -0.0002 0.0067 -0.0073 1136 THR 561 CG2 0.0002 0.0069 -0.0070 1137 THR 561 OG1 -0.0004 0.0069 -0.0082 1138 LEU 562 N 0.0008 0.0079 -0.0080 1139 LEU 562 CA 0.0014 0.0086 -0.0084 1140 LEU 562 C 0.0014 0.0089 -0.0089 1141 LEU 562 O 0.0009 0.0087 -0.0094 1142 LEU 562 CB 0.0013 0.0088 -0.0088 1143 LEU 562 CG 0.0012 0.0084 -0.0084 1144 LEU 562 CD1 0.0012 0.0086 -0.0088 1145 LEU 562 CD2 0.0017 0.0084 -0.0075 1146 VAL 563 N 0.0020 0.0093 -0.0088 1147 VAL 563 CA 0.0021 0.0097 -0.0092 1148 VAL 563 C 0.0027 0.0103 -0.0095 1149 VAL 563 O 0.0032 0.0106 -0.0091 1150 VAL 563 CB 0.0023 0.0096 -0.0087 1151 VAL 563 CG1 0.0026 0.0100 -0.0092 1152 VAL 563 CG2 0.0017 0.0089 -0.0086 1153 GLY 564 N 0.0025 0.0108 -0.0103 1154 GLY 564 CA 0.0031 0.0114 -0.0107 1155 GLY 564 C 0.0027 0.0115 -0.0114 1156 GLY 564 O 0.0020 0.0111 -0.0116 1157 GLU 565 N 0.0032 0.0120 -0.0117 1158 GLU 565 CA 0.0029 0.0121 -0.0123 1159 GLU 565 C 0.0027 0.0118 -0.0120 1160 GLU 565 O 0.0028 0.0115 -0.0113 1161 GLU 565 CB 0.0035 0.0128 -0.0127 1162 GLU 565 CG 0.0037 0.0131 -0.0132 1163 GLU 565 CD 0.0043 0.0138 -0.0135 1164 GLU 565 OE1 0.0046 0.0139 -0.0134 1165 GLU 565 OE2 0.0045 0.0141 -0.0140 1166 ILE 566 N 0.0023 0.0118 -0.0126 1167 ILE 566 CA 0.0020 0.0116 -0.0124 1168 ILE 566 C 0.0027 0.0119 -0.0121 1169 ILE 566 O 0.0032 0.0124 -0.0124 1170 ILE 566 CB 0.0015 0.0116 -0.0131 1171 ILE 566 CG1 0.0011 0.0112 -0.0129 1172 ILE 566 CG2 0.0018 0.0122 -0.0138 1173 ILE 566 CD1 0.0005 0.0111 -0.0135 1174 THR 567 N 0.0026 0.0119 -0.0116 1175 THR 567 CA 0.0033 0.0119 -0.0112 1176 THR 567 C 0.0033 0.0122 -0.0116 1177 THR 567 O 0.0027 0.0123 -0.0122 1178 THR 567 CB 0.0032 0.0114 -0.0104 1179 THR 567 CG2 0.0025 0.0111 -0.0105 1180 THR 567 OG1 0.0039 0.0115 -0.0100 1181 ALA 568 N 0.0039 0.0124 -0.0114 1182 ALA 568 CA 0.0040 0.0126 -0.0118 1183 ALA 568 C 0.0034 0.0123 -0.0117 1184 ALA 568 O 0.0030 0.0125 -0.0122 1185 ALA 568 CB 0.0048 0.0129 -0.0115 1186 GLY 569 N 0.0032 0.0118 -0.0110 1187 GLY 569 CA 0.0027 0.0115 -0.0109 1188 GLY 569 C 0.0030 0.0114 -0.0105 1189 GLY 569 O 0.0026 0.0111 -0.0103 1190 SER 570 N 0.0034 0.0132 -0.0104 1191 SER 570 CA 0.0037 0.0125 -0.0100 1192 SER 570 C 0.0039 0.0115 -0.0092 1193 SER 570 O 0.0046 0.0113 -0.0091 1194 SER 570 CB 0.0048 0.0129 -0.0102 1195 SER 570 OG 0.0050 0.0122 -0.0098 1196 LEU 571 N 0.0033 0.0108 -0.0087 1197 LEU 571 CA 0.0034 0.0098 -0.0079 1198 LEU 571 C 0.0036 0.0092 -0.0074 1199 LEU 571 O 0.0031 0.0094 -0.0076 1200 LEU 571 CB 0.0022 0.0094 -0.0076 1201 LEU 571 CG 0.0023 0.0096 -0.0077 1202 LEU 571 CD1 0.0010 0.0096 -0.0077 1203 LEU 571 CD2 0.0031 0.0087 -0.0071 1204 LEU 572 N 0.0043 0.0084 -0.0069 1205 LEU 572 CA 0.0047 0.0078 -0.0064 1206 LEU 572 C 0.0038 0.0070 -0.0058 1207 LEU 572 O 0.0040 0.0065 -0.0054 1208 LEU 572 CB 0.0060 0.0073 -0.0062 1209 LEU 572 CG 0.0070 0.0079 -0.0066 1210 LEU 572 CD1 0.0082 0.0074 -0.0063 1211 LEU 572 CD2 0.0069 0.0079 -0.0066 1212 HIS 573 N 0.0004 0.0036 -0.0077 1213 HIS 573 CA -0.0004 0.0030 -0.0069 1214 HIS 573 C -0.0020 0.0034 -0.0045 1215 HIS 573 O -0.0022 0.0050 -0.0034 1216 HIS 573 CB 0.0008 0.0044 -0.0077 1217 HIS 573 CG 0.0013 0.0071 -0.0070 1218 HIS 573 CD2 0.0027 0.0089 -0.0081 1219 HIS 573 ND1 0.0002 0.0083 -0.0049 1220 HIS 573 CE1 0.0010 0.0107 -0.0048 1221 HIS 573 NE2 0.0025 0.0111 -0.0067 1222 THR 574 N -0.0031 0.0018 -0.0038 1223 THR 574 CA -0.0047 0.0019 -0.0015 1224 THR 574 C -0.0059 -0.0006 -0.0012 1225 THR 574 O -0.0056 -0.0018 -0.0022 1226 THR 574 CB -0.0047 0.0038 -0.0005 1227 THR 574 CG2 -0.0064 0.0039 0.0019 1228 THR 574 OG1 -0.0036 0.0062 -0.0008 1229 HIS 575 N -0.0073 -0.0015 0.0003 1230 HIS 575 CA -0.0085 -0.0038 0.0009 1231 HIS 575 C -0.0100 -0.0033 0.0032 1232 HIS 575 O -0.0105 -0.0020 0.0045 1233 HIS 575 CB -0.0089 -0.0055 0.0005 1234 HIS 575 CG -0.0102 -0.0080 0.0009 1235 HIS 575 CD2 -0.0115 -0.0095 0.0019 1236 HIS 575 ND1 -0.0102 -0.0093 0.0003 1237 HIS 575 CE1 -0.0114 -0.0114 0.0009 1238 HIS 575 NE2 -0.0122 -0.0115 0.0019 1239 THR 576 N -0.0108 -0.0083 0.0018 1240 THR 576 CA -0.0111 -0.0098 0.0069 1241 THR 576 C -0.0123 -0.0129 0.0089 1242 THR 576 O -0.0139 -0.0163 0.0066 1243 THR 576 CB -0.0121 -0.0122 0.0071 1244 THR 576 CG2 -0.0128 -0.0146 0.0122 1245 THR 576 OG1 -0.0108 -0.0090 0.0063 1246 VAL 577 N -0.0115 -0.0116 0.0131 1247 VAL 577 CA -0.0125 -0.0143 0.0154 1248 VAL 577 C -0.0130 -0.0161 0.0204 1249 VAL 577 O -0.0118 -0.0138 0.0229 1250 VAL 577 CB -0.0112 -0.0115 0.0160 1251 VAL 577 CG1 -0.0110 -0.0103 0.0109 1252 VAL 577 CG2 -0.0092 -0.0073 0.0189 1253 PRO 578 N -0.0147 -0.0203 0.0219 1254 PRO 578 CA -0.0152 -0.0221 0.0268 1255 PRO 578 C -0.0143 -0.0206 0.0309 1256 PRO 578 O -0.0146 -0.0213 0.0306 1257 PRO 578 CB -0.0175 -0.0272 0.0261 1258 PRO 578 CG -0.0181 -0.0279 0.0222 1259 PRO 578 CD -0.0164 -0.0237 0.0191 1260 LEU 579 N -0.0117 -0.0197 0.0362 1261 LEU 579 CA -0.0094 -0.0173 0.0415 1262 LEU 579 C -0.0095 -0.0214 0.0474 1263 LEU 579 O -0.0097 -0.0227 0.0489 1264 LEU 579 CB -0.0066 -0.0111 0.0422 1265 LEU 579 CG -0.0040 -0.0075 0.0467 1266 LEU 579 CD1 -0.0042 -0.0069 0.0447 1267 LEU 579 CD2 -0.0014 -0.0014 0.0470 1268 LEU 580 N -0.0095 -0.0233 0.0507 1269 LEU 580 CA -0.0097 -0.0272 0.0565 1270 LEU 580 C -0.0122 -0.0328 0.0554 1271 LEU 580 O -0.0120 -0.0340 0.0582 1272 LEU 580 CB -0.0070 -0.0240 0.0617 1273 LEU 580 CG -0.0044 -0.0192 0.0642 1274 LEU 580 CD1 -0.0018 -0.0160 0.0691 1275 LEU 580 CD2 -0.0048 -0.0219 0.0669 1276 GLU 581 N -0.0146 -0.0361 0.0513 1277 GLU 581 CA -0.0173 -0.0412 0.0492 1278 GLU 581 C -0.0191 -0.0469 0.0511 1279 GLU 581 O -0.0193 -0.0470 0.0506 1280 GLU 581 CB -0.0187 -0.0404 0.0422 1281 GLU 581 CG -0.0197 -0.0404 0.0383 1282 GLU 581 CD -0.0174 -0.0345 0.0378 1283 GLU 581 OE1 -0.0149 -0.0309 0.0417 1284 GLU 581 OE2 -0.0181 -0.0334 0.0334 1285 THR 582 N -0.0210 -0.0539 0.0541 1286 THR 582 CA -0.0236 -0.0609 0.0566 1287 THR 582 C -0.0264 -0.0673 0.0569 1288 THR 582 O -0.0251 -0.0672 0.0613 1289 THR 582 CB -0.0212 -0.0608 0.0645 1290 THR 582 CG2 -0.0176 -0.0563 0.0700 1291 THR 582 OG1 -0.0236 -0.0682 0.0680 1292 THR 583 N -0.0301 -0.0726 0.0523 1293 THR 583 CA -0.0332 -0.0793 0.0526 1294 THR 583 C -0.0326 -0.0774 0.0514 1295 THR 583 O -0.0323 -0.0732 0.0455 1296 THR 583 CB -0.0336 -0.0848 0.0598 1297 THR 583 CG2 -0.0343 -0.0868 0.0605 1298 THR 583 OG1 -0.0303 -0.0819 0.0667 1299 GLU 584 N -0.0325 -0.0805 0.0567 1300 GLU 584 CA -0.0324 -0.0795 0.0557 1301 GLU 584 C -0.0287 -0.0715 0.0555 1302 GLU 584 O -0.0290 -0.0693 0.0509 1303 GLU 584 CB -0.0327 -0.0843 0.0622 1304 GLU 584 CG -0.0317 -0.0866 0.0693 1305 GLU 584 CD -0.0275 -0.0809 0.0750 1306 GLU 584 OE1 -0.0259 -0.0776 0.0754 1307 GLU 584 OE2 -0.0258 -0.0796 0.0790 1308 GLY 585 N -0.0250 -0.0654 0.0591 1309 GLY 585 CA -0.0220 -0.0582 0.0594 1310 GLY 585 C -0.0218 -0.0541 0.0522 1311 GLY 585 O -0.0208 -0.0504 0.0501 1312 GLY 586 N -0.0228 -0.0546 0.0486 1313 GLY 586 CA -0.0230 -0.0512 0.0412 1314 GLY 586 C -0.0200 -0.0436 0.0408 1315 GLY 586 O -0.0201 -0.0414 0.0355 1316 LEU 587 N -0.0173 -0.0399 0.0460 1317 LEU 587 CA -0.0143 -0.0326 0.0461 1318 LEU 587 C -0.0140 -0.0285 0.0395 1319 LEU 587 O -0.0149 -0.0297 0.0378 1320 LEU 587 CB -0.0116 -0.0298 0.0532 1321 LEU 587 CG -0.0107 -0.0308 0.0595 1322 LEU 587 CD1 -0.0115 -0.0312 0.0567 1323 LEU 587 CD2 -0.0123 -0.0371 0.0643 1324 SER 588 N -0.0135 -0.0217 0.0330 1325 SER 588 CA -0.0132 -0.0198 0.0288 1326 SER 588 C -0.0119 -0.0144 0.0286 1327 SER 588 O -0.0114 -0.0124 0.0314 1328 SER 588 CB -0.0137 -0.0219 0.0242 1329 SER 588 OG -0.0131 -0.0190 0.0218 1330 LEU 589 N -0.0115 -0.0122 0.0256 1331 LEU 589 CA -0.0103 -0.0071 0.0250 1332 LEU 589 C -0.0101 -0.0058 0.0198 1333 LEU 589 O -0.0105 -0.0077 0.0174 1334 LEU 589 CB -0.0097 -0.0048 0.0282 1335 LEU 589 CG -0.0086 0.0003 0.0271 1336 LEU 589 CD1 -0.0078 0.0035 0.0280 1337 LEU 589 CD2 -0.0082 0.0019 0.0299 1338 THR 590 N -0.0094 -0.0025 0.0179 1339 THR 590 CA -0.0090 -0.0007 0.0130 1340 THR 590 C -0.0079 0.0043 0.0133 1341 THR 590 O -0.0072 0.0073 0.0160 1342 THR 590 CB -0.0090 -0.0007 0.0104 1343 THR 590 CG2 -0.0100 -0.0051 0.0116 1344 THR 590 OG1 -0.0081 0.0034 0.0119 1345 VAL 591 N -0.0069 0.0022 0.0091 1346 VAL 591 CA -0.0060 0.0043 0.0088 1347 VAL 591 C -0.0050 0.0045 0.0059 1348 VAL 591 O -0.0054 0.0027 0.0045 1349 VAL 591 CB -0.0065 0.0039 0.0102 1350 VAL 591 CG1 -0.0076 0.0013 0.0100 1351 VAL 591 CG2 -0.0056 0.0055 0.0094 1352 PRO 592 N -0.0038 0.0067 0.0050 1353 PRO 592 CA -0.0028 0.0070 0.0023 1354 PRO 592 C -0.0027 0.0069 0.0016 1355 PRO 592 O -0.0027 0.0079 0.0031 1356 PRO 592 CB -0.0016 0.0096 0.0021 1357 PRO 592 CG -0.0019 0.0109 0.0048 1358 PRO 592 CD -0.0033 0.0089 0.0065 1359 VAL 593 N -0.0025 0.0058 -0.0007 1360 VAL 593 CA -0.0024 0.0054 -0.0015 1361 VAL 593 C -0.0010 0.0072 -0.0034 1362 VAL 593 O -0.0009 0.0071 -0.0041 1363 VAL 593 CB -0.0033 0.0027 -0.0024 1364 VAL 593 CG1 -0.0042 0.0016 -0.0009 1365 VAL 593 CG2 -0.0039 0.0012 -0.0025 1366 LEU 594 N -0.0007 0.0067 -0.0045 1367 LEU 594 CA -0.0006 0.0066 -0.0045 1368 LEU 594 C -0.0009 0.0070 -0.0046 1369 LEU 594 O -0.0008 0.0073 -0.0048 1370 LEU 594 CB -0.0001 0.0067 -0.0046 1371 LEU 594 CG 0.0001 0.0064 -0.0045 1372 LEU 594 CD1 0.0003 0.0060 -0.0044 1373 LEU 594 CD2 0.0004 0.0066 -0.0048 1374 THR 595 N -0.0011 0.0068 -0.0044 1375 THR 595 CA -0.0014 0.0071 -0.0045 1376 THR 595 C -0.0011 0.0073 -0.0047 1377 THR 595 O -0.0012 0.0077 -0.0049 1378 THR 595 CB -0.0017 0.0069 -0.0043 1379 THR 595 CG2 -0.0021 0.0068 -0.0041 1380 THR 595 OG1 -0.0015 0.0066 -0.0041 1381 PHE 596 N -0.0008 0.0071 -0.0047 1382 PHE 596 CA -0.0005 0.0073 -0.0049 1383 PHE 596 C -0.0008 0.0075 -0.0049 1384 PHE 596 O -0.0007 0.0078 -0.0051 1385 PHE 596 CB -0.0002 0.0075 -0.0051 1386 PHE 596 CG 0.0002 0.0075 -0.0052 1387 PHE 596 CD1 0.0005 0.0072 -0.0051 1388 PHE 596 CD2 0.0003 0.0079 -0.0055 1389 PHE 596 CE1 0.0008 0.0072 -0.0053 1390 PHE 596 CE2 0.0006 0.0079 -0.0056 1391 PHE 596 CZ 0.0009 0.0076 -0.0055 1392 ILE 597 N -0.0013 0.0064 -0.0051 1393 ILE 597 CA -0.0018 0.0061 -0.0052 1394 ILE 597 C -0.0016 0.0060 -0.0049 1395 ILE 597 O -0.0011 0.0060 -0.0046 1396 ILE 597 CB -0.0022 0.0058 -0.0050 1397 ILE 597 CG1 -0.0021 0.0058 -0.0050 1398 ILE 597 CG2 -0.0028 0.0057 -0.0053 1399 ILE 597 CD1 -0.0020 0.0055 -0.0045 1400 ASP 598 N -0.0019 0.0060 -0.0050 1401 ASP 598 CA -0.0017 0.0059 -0.0048 1402 ASP 598 C -0.0021 0.0054 -0.0045 1403 ASP 598 O -0.0026 0.0052 -0.0046 1404 ASP 598 CB -0.0016 0.0062 -0.0052 1405 ASP 598 CG -0.0021 0.0062 -0.0055 1406 ASP 598 OD1 -0.0025 0.0062 -0.0058 1407 ASP 598 OD2 -0.0021 0.0062 -0.0054 1408 ASN 599 N -0.0020 0.0053 -0.0043 1409 ASN 599 CA -0.0024 0.0049 -0.0041 1410 ASN 599 C -0.0030 0.0049 -0.0044 1411 ASN 599 O -0.0034 0.0045 -0.0042 1412 ASN 599 CB -0.0022 0.0049 -0.0040 1413 ASN 599 CG -0.0016 0.0051 -0.0038 1414 ASN 599 ND2 -0.0013 0.0049 -0.0033 1415 ASN 599 OD1 -0.0013 0.0055 -0.0041 1416 HIS 600 N -0.0031 0.0053 -0.0048 1417 HIS 600 CA -0.0036 0.0053 -0.0051 1418 HIS 600 C -0.0040 0.0052 -0.0052 1419 HIS 600 O -0.0045 0.0051 -0.0054 1420 HIS 600 CB -0.0036 0.0057 -0.0056 1421 HIS 600 CG -0.0036 0.0057 -0.0055 1422 HIS 600 CD2 -0.0039 0.0058 -0.0058 1423 HIS 600 ND1 -0.0031 0.0057 -0.0052 1424 HIS 600 CE1 -0.0032 0.0057 -0.0053 1425 HIS 600 NE2 -0.0036 0.0058 -0.0056 1426 GLY 601 N -0.0037 0.0052 -0.0051 1427 GLY 601 CA -0.0040 0.0051 -0.0052 1428 GLY 601 C -0.0041 0.0055 -0.0056 1429 GLY 601 O -0.0044 0.0055 -0.0058 1430 GLU 602 N -0.0039 0.0059 -0.0059 1431 GLU 602 CA -0.0039 0.0063 -0.0063 1432 GLU 602 C -0.0034 0.0066 -0.0063 1433 GLU 602 O -0.0029 0.0067 -0.0061 1434 GLU 602 CB -0.0040 0.0066 -0.0066 1435 GLU 602 CG -0.0045 0.0065 -0.0068 1436 GLU 602 CD -0.0050 0.0065 -0.0071 1437 GLU 602 OE1 -0.0048 0.0068 -0.0073 1438 GLU 602 OE2 -0.0055 0.0062 -0.0071 1439 CYS 603 N -0.0037 0.0074 -0.0062 1440 CYS 603 CA -0.0033 0.0074 -0.0062 1441 CYS 603 C -0.0030 0.0079 -0.0066 1442 CYS 603 O -0.0033 0.0084 -0.0068 1443 CYS 603 CB -0.0038 0.0072 -0.0060 1444 CYS 603 SG -0.0033 0.0068 -0.0059 1445 TRP 604 N -0.0024 0.0079 -0.0067 1446 TRP 604 CA -0.0020 0.0084 -0.0070 1447 TRP 604 C -0.0020 0.0084 -0.0071 1448 TRP 604 O -0.0017 0.0081 -0.0069 1449 TRP 604 CB -0.0013 0.0083 -0.0071 1450 TRP 604 CG -0.0009 0.0088 -0.0075 1451 TRP 604 CD1 -0.0011 0.0094 -0.0078 1452 TRP 604 CD2 -0.0003 0.0088 -0.0076 1453 TRP 604 CE2 -0.0001 0.0094 -0.0079 1454 TRP 604 CE3 0.0002 0.0084 -0.0074 1455 TRP 604 NE1 -0.0006 0.0097 -0.0081 1456 TRP 604 CZ2 0.0005 0.0095 -0.0081 1457 TRP 604 CZ3 0.0008 0.0085 -0.0075 1458 TRP 604 CH2 0.0010 0.0091 -0.0079 1459 LEU 605 N -0.0024 0.0088 -0.0073 1460 LEU 605 CA -0.0024 0.0089 -0.0073 1461 LEU 605 C -0.0018 0.0091 -0.0075 1462 LEU 605 O -0.0016 0.0090 -0.0075 1463 LEU 605 CB -0.0030 0.0094 -0.0075 1464 LEU 605 CG -0.0029 0.0100 -0.0079 1465 LEU 605 CD1 -0.0034 0.0104 -0.0080 1466 LEU 605 CD2 -0.0030 0.0101 -0.0079 1467 GLY 606 N -0.0009 0.0091 -0.0087 1468 GLY 606 CA -0.0000 0.0094 -0.0089 1469 GLY 606 C 0.0000 0.0098 -0.0098 1470 GLY 606 O -0.0006 0.0099 -0.0102 1471 GLY 607 N 0.0008 0.0101 -0.0100 1472 GLY 607 CA 0.0009 0.0106 -0.0109 1473 GLY 607 C 0.0010 0.0108 -0.0113 1474 GLY 607 O 0.0012 0.0112 -0.0119 1475 GLY 608 N 0.0009 0.0106 -0.0109 1476 GLY 608 CA 0.0010 0.0108 -0.0113 1477 GLY 608 C 0.0003 0.0105 -0.0110 1478 GLY 608 O -0.0004 0.0104 -0.0111 1479 VAL 609 N 0.0010 0.0101 -0.0110 1480 VAL 609 CA 0.0005 0.0096 -0.0106 1481 VAL 609 C 0.0004 0.0097 -0.0110 1482 VAL 609 O 0.0009 0.0101 -0.0110 1483 VAL 609 CB 0.0008 0.0094 -0.0097 1484 VAL 609 CG1 0.0007 0.0092 -0.0093 1485 VAL 609 CG2 0.0015 0.0099 -0.0095 1486 VAL 610 N -0.0002 0.0094 -0.0114 1487 VAL 610 CA -0.0004 0.0095 -0.0118 1488 VAL 610 C -0.0004 0.0092 -0.0112 1489 VAL 610 O -0.0008 0.0088 -0.0107 1490 VAL 610 CB -0.0011 0.0093 -0.0124 1491 VAL 610 CG1 -0.0010 0.0096 -0.0131 1492 VAL 610 CG2 -0.0017 0.0087 -0.0120 1493 PRO 611 N 0.0000 0.0095 -0.0112 1494 PRO 611 CA -0.0000 0.0093 -0.0106 1495 PRO 611 C -0.0007 0.0089 -0.0109 1496 PRO 611 O -0.0011 0.0089 -0.0115 1497 PRO 611 CB 0.0006 0.0098 -0.0107 1498 PRO 611 CG 0.0010 0.0102 -0.0111 1499 PRO 611 CD 0.0005 0.0101 -0.0117 1500 ASP 612 N -0.0005 0.0084 -0.0106 1501 ASP 612 CA -0.0010 0.0079 -0.0108 1502 ASP 612 C -0.0009 0.0083 -0.0112 1503 ASP 612 O -0.0014 0.0081 -0.0116 1504 ASP 612 CB -0.0011 0.0074 -0.0100 1505 ASP 612 CG -0.0015 0.0069 -0.0098 1506 ASP 612 OD1 -0.0021 0.0066 -0.0101 1507 ASP 612 OD2 -0.0013 0.0068 -0.0092 1508 ALA 613 N -0.0003 0.0088 -0.0111 1509 ALA 613 CA -0.0001 0.0092 -0.0115 1510 ALA 613 C 0.0004 0.0099 -0.0119 1511 ALA 613 O 0.0009 0.0102 -0.0115 1512 ALA 613 CB 0.0002 0.0092 -0.0109 1513 ILE 614 N 0.0001 0.0101 -0.0127 1514 ILE 614 CA 0.0005 0.0107 -0.0131 1515 ILE 614 C 0.0009 0.0111 -0.0133 1516 ILE 614 O 0.0007 0.0112 -0.0138 1517 ILE 614 CB 0.0001 0.0107 -0.0139 1518 ILE 614 CG1 -0.0003 0.0103 -0.0138 1519 ILE 614 CG2 0.0005 0.0114 -0.0144 1520 ILE 614 CD1 -0.0008 0.0102 -0.0145 1521 VAL 615 N 0.0016 0.0113 -0.0130 1522 VAL 615 CA 0.0021 0.0118 -0.0131 1523 VAL 615 C 0.0028 0.0123 -0.0131 1524 VAL 615 O 0.0030 0.0123 -0.0128 1525 VAL 615 CB 0.0023 0.0115 -0.0124 1526 VAL 615 CG1 0.0027 0.0120 -0.0126 1527 VAL 615 CG2 0.0015 0.0109 -0.0123 1528 LEU 616 N 0.0032 0.0129 -0.0135 1529 LEU 616 CA 0.0039 0.0134 -0.0135 1530 LEU 616 C 0.0044 0.0134 -0.0126 1531 LEU 616 O 0.0044 0.0130 -0.0121 1532 LEU 616 CB 0.0043 0.0140 -0.0140 1533 LEU 616 CG 0.0040 0.0143 -0.0149 1534 LEU 616 CD1 0.0046 0.0149 -0.0153 1535 LEU 616 CD2 0.0039 0.0143 -0.0152 1536 ALA 617 N 0.0049 0.0137 -0.0126 1537 ALA 617 CA 0.0054 0.0137 -0.0118 1538 ALA 617 C 0.0059 0.0138 -0.0113 1539 ALA 617 O 0.0058 0.0134 -0.0106 1540 ALA 617 CB 0.0059 0.0142 -0.0119 1541 GLU 618 N 0.0063 0.0144 -0.0116 1542 GLU 618 CA 0.0067 0.0146 -0.0112 1543 GLU 618 C 0.0062 0.0140 -0.0110 1544 GLU 618 O 0.0064 0.0138 -0.0103 1545 GLU 618 CB 0.0072 0.0152 -0.0117 1546 GLU 618 CG 0.0072 0.0153 -0.0118 1547 GLU 618 CD 0.0079 0.0157 -0.0114 1548 GLU 618 OE1 0.0083 0.0156 -0.0107 1549 GLU 618 OE2 0.0081 0.0162 -0.0119 1550 GLU 619 N 0.0056 0.0138 -0.0116 1551 GLU 619 CA 0.0051 0.0133 -0.0115 1552 GLU 619 C 0.0047 0.0127 -0.0108 1553 GLU 619 O 0.0044 0.0123 -0.0106 1554 GLU 619 CB 0.0045 0.0133 -0.0124 1555 GLU 619 CG 0.0045 0.0135 -0.0128 1556 GLU 619 CD 0.0052 0.0143 -0.0131 1557 GLU 619 OE1 0.0052 0.0146 -0.0137 1558 GLU 619 OE2 0.0056 0.0145 -0.0128 1559 ALA 620 N 0.0048 0.0126 -0.0105 1560 ALA 620 CA 0.0044 0.0119 -0.0099 1561 ALA 620 C 0.0046 0.0117 -0.0091 1562 ALA 620 O 0.0041 0.0111 -0.0088 1563 ALA 620 CB 0.0045 0.0119 -0.0098 1564 LEU 621 N 0.0052 0.0119 -0.0085 1565 LEU 621 CA 0.0054 0.0116 -0.0077 1566 LEU 621 C 0.0050 0.0113 -0.0078 1567 LEU 621 O 0.0048 0.0108 -0.0072 1568 LEU 621 CB 0.0062 0.0121 -0.0074 1569 LEU 621 CG 0.0064 0.0118 -0.0065 1570 LEU 621 CD1 0.0061 0.0113 -0.0060 1571 LEU 621 CD2 0.0072 0.0123 -0.0063 1572 ASP 622 N 0.0050 0.0116 -0.0084 1573 ASP 622 CA 0.0046 0.0113 -0.0085 1574 ASP 622 C 0.0038 0.0107 -0.0087 1575 ASP 622 O 0.0035 0.0103 -0.0083 1576 ASP 622 CB 0.0047 0.0117 -0.0091 1577 ASP 622 CG 0.0044 0.0120 -0.0099 1578 ASP 622 OD1 0.0038 0.0116 -0.0103 1579 ASP 622 OD2 0.0048 0.0125 -0.0103 1580 ARG 623 N 0.0035 0.0108 -0.0092 1581 ARG 623 CA 0.0028 0.0102 -0.0094 1582 ARG 623 C 0.0026 0.0097 -0.0086 1583 ARG 623 O 0.0021 0.0092 -0.0085 1584 ARG 623 CB 0.0025 0.0103 -0.0100 1585 ARG 623 CG 0.0017 0.0098 -0.0102 1586 ARG 623 CD 0.0014 0.0098 -0.0108 1587 ARG 623 NE 0.0007 0.0092 -0.0107 1588 ARG 623 CZ 0.0001 0.0090 -0.0112 1589 ARG 623 NH1 0.0001 0.0093 -0.0118 1590 ARG 623 NH2 -0.0004 0.0084 -0.0111 1591 ALA 624 N 0.0030 0.0097 -0.0081 1592 ALA 624 CA 0.0029 0.0092 -0.0074 1593 ALA 624 C 0.0029 0.0089 -0.0068 1594 ALA 624 O 0.0026 0.0084 -0.0064 1595 ALA 624 CB 0.0034 0.0095 -0.0070 1596 GLN 625 N 0.0033 0.0093 -0.0067 1597 GLN 625 CA 0.0033 0.0091 -0.0062 1598 GLN 625 C 0.0027 0.0086 -0.0065 1599 GLN 625 O 0.0025 0.0081 -0.0060 1600 GLN 625 CB 0.0039 0.0096 -0.0062 1601 GLN 625 CG 0.0041 0.0095 -0.0054 1602 GLN 625 CD 0.0043 0.0094 -0.0047 1603 GLN 625 NE2 0.0043 0.0089 -0.0040 1604 GLN 625 OE1 0.0046 0.0096 -0.0047 1605 GLU 626 N 0.0025 0.0087 -0.0073 1606 GLU 626 CA 0.0019 0.0083 -0.0076 1607 GLU 626 C 0.0014 0.0077 -0.0075 1608 GLU 626 O 0.0010 0.0072 -0.0073 1609 GLU 626 CB 0.0018 0.0086 -0.0085 1610 GLU 626 CG 0.0011 0.0081 -0.0089 1611 GLU 626 CD 0.0009 0.0084 -0.0098 1612 GLU 626 OE1 0.0012 0.0089 -0.0102 1613 GLU 626 OE2 0.0005 0.0080 -0.0101 1614 VAL 627 N 0.0012 0.0076 -0.0074 1615 VAL 627 CA 0.0008 0.0070 -0.0073 1616 VAL 627 C 0.0008 0.0066 -0.0064 1617 VAL 627 O 0.0004 0.0060 -0.0062 1618 VAL 627 CB 0.0008 0.0072 -0.0075 1619 VAL 627 CG1 0.0003 0.0066 -0.0073 1620 VAL 627 CG2 0.0007 0.0075 -0.0084 1621 LEU 628 N 0.0014 0.0069 -0.0059 1622 LEU 628 CA 0.0015 0.0066 -0.0051 1623 LEU 628 C 0.0012 0.0062 -0.0050 1624 LEU 628 O 0.0009 0.0057 -0.0046 1625 LEU 628 CB 0.0022 0.0070 -0.0046 1626 LEU 628 CG 0.0025 0.0072 -0.0043 1627 LEU 628 CD1 0.0032 0.0078 -0.0040 1628 LEU 628 CD2 0.0024 0.0066 -0.0036 1629 GLU 629 N 0.0013 0.0066 -0.0054 1630 GLU 629 CA 0.0011 0.0063 -0.0053 1631 GLU 629 C 0.0004 0.0057 -0.0056 1632 GLU 629 O 0.0001 0.0052 -0.0053 1633 GLU 629 CB 0.0013 0.0068 -0.0058 1634 GLU 629 CG 0.0020 0.0073 -0.0054 1635 GLU 629 CD 0.0022 0.0070 -0.0045 1636 GLU 629 OE1 0.0019 0.0066 -0.0043 1637 GLU 629 OE2 0.0027 0.0073 -0.0041 1638 PHE 630 N -0.0001 0.0056 -0.0061 1639 PHE 630 CA -0.0007 0.0050 -0.0064 1640 PHE 630 C -0.0010 0.0045 -0.0060 1641 PHE 630 O -0.0014 0.0039 -0.0059 1642 PHE 630 CB -0.0010 0.0053 -0.0073 1643 PHE 630 CG -0.0016 0.0048 -0.0076 1644 PHE 630 CD1 -0.0020 0.0043 -0.0076 1645 PHE 630 CD2 -0.0018 0.0048 -0.0080 1646 PHE 630 CE1 -0.0026 0.0038 -0.0079 1647 PHE 630 CE2 -0.0024 0.0043 -0.0083 1648 PHE 630 CZ -0.0028 0.0038 -0.0082 1649 HIS 631 N -0.0007 0.0046 -0.0058 1650 HIS 631 CA -0.0010 0.0041 -0.0054 1651 HIS 631 C -0.0009 0.0036 -0.0047 1652 HIS 631 O -0.0012 0.0031 -0.0044 1653 HIS 631 CB -0.0007 0.0044 -0.0054 1654 HIS 631 CG -0.0010 0.0044 -0.0060 1655 HIS 631 CD2 -0.0015 0.0042 -0.0066 1656 HIS 631 ND1 -0.0007 0.0048 -0.0061 1657 HIS 631 CE1 -0.0011 0.0048 -0.0067 1658 HIS 631 NE2 -0.0016 0.0044 -0.0070 1659 ARG 632 N -0.0006 0.0038 -0.0044 1660 ARG 632 CA -0.0005 0.0034 -0.0037 1661 ARG 632 C -0.0010 0.0028 -0.0037 1662 ARG 632 O -0.0011 0.0023 -0.0032 1663 ARG 632 CB 0.0000 0.0038 -0.0033 1664 ARG 632 CG 0.0006 0.0042 -0.0028 1665 ARG 632 CD 0.0010 0.0045 -0.0024 1666 ARG 632 NE 0.0015 0.0047 -0.0019 1667 ARG 632 CZ 0.0020 0.0053 -0.0020 1668 ARG 632 NH1 0.0020 0.0058 -0.0027 1669 ARG 632 NH2 0.0024 0.0055 -0.0015 1670 SER 633 N -0.0017 0.0024 -0.0045 1671 SER 633 CA -0.0021 0.0019 -0.0046 1672 SER 633 C -0.0025 0.0016 -0.0050 1673 SER 633 O -0.0028 0.0012 -0.0053 1674 SER 633 CB -0.0020 0.0021 -0.0047 1675 SER 633 OG -0.0020 0.0026 -0.0052 1676 LEU 634 N -0.0025 0.0017 -0.0052 1677 LEU 634 CA -0.0029 0.0014 -0.0056 1678 LEU 634 C -0.0032 0.0007 -0.0054 1679 LEU 634 O -0.0035 0.0004 -0.0058 1680 LEU 634 CB -0.0028 0.0016 -0.0058 1681 LEU 634 CG -0.0032 0.0014 -0.0063 1682 LEU 634 CD1 -0.0034 0.0016 -0.0069 1683 LEU 634 CD2 -0.0031 0.0016 -0.0064 1684 GLY 635 N -0.0030 0.0005 -0.0048 1685 GLY 635 CA -0.0032 -0.0002 -0.0046 1686 GLY 635 C -0.0034 -0.0005 -0.0046 1687 GLY 635 O -0.0037 -0.0010 -0.0047 1688 GLU 636 N -0.0035 -0.0004 -0.0046 1689 GLU 636 CA -0.0036 -0.0008 -0.0046 1690 GLU 636 C -0.0039 -0.0011 -0.0052 1691 GLU 636 O -0.0041 -0.0017 -0.0052 1692 GLU 636 CB -0.0034 -0.0005 -0.0042 1693 GLU 636 CG -0.0032 -0.0005 -0.0035 1694 GLU 636 CD -0.0030 -0.0000 -0.0033 1695 GLU 636 OE1 -0.0030 0.0003 -0.0037 1696 GLU 636 OE2 -0.0028 -0.0001 -0.0027 1697 LEU 637 N -0.0039 -0.0007 -0.0057 1698 LEU 637 CA -0.0042 -0.0009 -0.0064 1699 LEU 637 C -0.0044 -0.0014 -0.0066 1700 LEU 637 O -0.0047 -0.0018 -0.0069 1701 LEU 637 CB -0.0041 -0.0003 -0.0069 1702 LEU 637 CG -0.0039 0.0003 -0.0067 1703 LEU 637 CD1 -0.0039 0.0008 -0.0073 1704 LEU 637 CD2 -0.0038 0.0001 -0.0063 1705 VAL 638 N -0.0044 -0.0013 -0.0066 1706 VAL 638 CA -0.0046 -0.0017 -0.0068 1707 VAL 638 C -0.0047 -0.0024 -0.0064 1708 VAL 638 O -0.0050 -0.0029 -0.0067 1709 VAL 638 CB -0.0045 -0.0015 -0.0068 1710 VAL 638 CG1 -0.0047 -0.0020 -0.0069 1711 VAL 638 CG2 -0.0045 -0.0009 -0.0073 1712 GLU 639 N -0.0043 -0.0025 -0.0062 1713 GLU 639 CA -0.0043 -0.0029 -0.0059 1714 GLU 639 C -0.0045 -0.0031 -0.0060 1715 GLU 639 O -0.0047 -0.0036 -0.0060 1716 GLU 639 CB -0.0040 -0.0029 -0.0053 1717 GLU 639 CG -0.0040 -0.0033 -0.0049 1718 GLU 639 CD -0.0043 -0.0038 -0.0050 1719 GLU 639 OE1 -0.0043 -0.0039 -0.0050 1720 GLU 639 OE2 -0.0045 -0.0042 -0.0051 1721 GLY 640 N -0.0044 -0.0028 -0.0061 1722 GLY 640 CA -0.0045 -0.0029 -0.0063 1723 GLY 640 C -0.0048 -0.0032 -0.0068 1724 GLY 640 O -0.0050 -0.0035 -0.0068 1725 THR 641 N -0.0049 -0.0029 -0.0071 1726 THR 641 CA -0.0052 -0.0031 -0.0076 1727 THR 641 C -0.0054 -0.0036 -0.0076 1728 THR 641 O -0.0056 -0.0040 -0.0078 1729 THR 641 CB -0.0052 -0.0027 -0.0080 1730 THR 641 CG2 -0.0055 -0.0029 -0.0085 1731 THR 641 OG1 -0.0050 -0.0022 -0.0081 1732 GLY 642 N -0.0051 -0.0037 -0.0076 1733 GLY 642 CA -0.0052 -0.0040 -0.0076 1734 GLY 642 C -0.0052 -0.0043 -0.0074 1735 GLY 642 O -0.0054 -0.0046 -0.0075 1736 HIS 643 N -0.0051 -0.0042 -0.0071 1737 HIS 643 CA -0.0052 -0.0045 -0.0069 1738 HIS 643 C -0.0053 -0.0046 -0.0071 1739 HIS 643 O -0.0054 -0.0050 -0.0071 1740 HIS 643 CB -0.0050 -0.0044 -0.0066 1741 HIS 643 CG -0.0050 -0.0047 -0.0063 1742 HIS 643 CD2 -0.0051 -0.0048 -0.0063 1743 HIS 643 ND1 -0.0050 -0.0048 -0.0061 1744 HIS 643 CE1 -0.0050 -0.0051 -0.0059 1745 HIS 643 NE2 -0.0051 -0.0051 -0.0060 1746 LEU 644 N -0.0053 -0.0044 -0.0073 1747 LEU 644 CA -0.0054 -0.0045 -0.0075 1748 LEU 644 C -0.0055 -0.0047 -0.0078 1749 LEU 644 O -0.0056 -0.0050 -0.0079 1750 LEU 644 CB -0.0053 -0.0042 -0.0077 1751 LEU 644 CG -0.0053 -0.0042 -0.0078 1752 LEU 644 CD1 -0.0053 -0.0044 -0.0074 1753 LEU 644 CD2 -0.0053 -0.0039 -0.0079 1754 LEU 645 N -0.0055 -0.0048 -0.0085 1755 LEU 645 CA -0.0057 -0.0049 -0.0087 1756 LEU 645 C -0.0056 -0.0053 -0.0087 1757 LEU 645 O -0.0057 -0.0054 -0.0087 1758 LEU 645 CB -0.0059 -0.0049 -0.0088 1759 LEU 645 CG -0.0061 -0.0051 -0.0090 1760 LEU 645 CD1 -0.0063 -0.0049 -0.0091 1761 LEU 645 CD2 -0.0061 -0.0054 -0.0091 1762 GLU 646 N -0.0054 -0.0054 -0.0085 1763 GLU 646 CA -0.0053 -0.0057 -0.0085 1764 GLU 646 C -0.0052 -0.0057 -0.0084 1765 GLU 646 O -0.0052 -0.0059 -0.0085 1766 GLU 646 CB -0.0052 -0.0058 -0.0084 1767 GLU 646 CG -0.0051 -0.0061 -0.0084 1768 GLU 646 CD -0.0049 -0.0062 -0.0083 1769 GLU 646 OE1 -0.0047 -0.0061 -0.0081 1770 GLU 646 OE2 -0.0049 -0.0065 -0.0083 1771 ALA 647 N -0.0051 -0.0055 -0.0083 1772 ALA 647 CA -0.0049 -0.0055 -0.0082 1773 ALA 647 C -0.0051 -0.0055 -0.0083 1774 ALA 647 O -0.0050 -0.0056 -0.0083 1775 ALA 647 CB -0.0048 -0.0053 -0.0080 1776 HIS 648 N -0.0055 -0.0054 -0.0088 1777 HIS 648 CA -0.0055 -0.0054 -0.0086 1778 HIS 648 C -0.0057 -0.0054 -0.0088 1779 HIS 648 O -0.0059 -0.0052 -0.0087 1780 HIS 648 CB -0.0055 -0.0051 -0.0083 1781 HIS 648 CG -0.0054 -0.0051 -0.0081 1782 HIS 648 CD2 -0.0050 -0.0053 -0.0081 1783 HIS 648 ND1 -0.0055 -0.0050 -0.0080 1784 HIS 648 CE1 -0.0052 -0.0050 -0.0078 1785 HIS 648 NE2 -0.0050 -0.0052 -0.0079 1786 TYR 649 N -0.0057 -0.0055 -0.0091 1787 TYR 649 CA -0.0059 -0.0055 -0.0093 1788 TYR 649 C -0.0057 -0.0057 -0.0094 1789 TYR 649 O -0.0055 -0.0059 -0.0095 1790 TYR 649 CB -0.0062 -0.0056 -0.0095 1791 TYR 649 CG -0.0064 -0.0055 -0.0097 1792 TYR 649 CD1 -0.0064 -0.0057 -0.0099 1793 TYR 649 CD2 -0.0067 -0.0053 -0.0095 1794 TYR 649 CE1 -0.0066 -0.0056 -0.0100 1795 TYR 649 CE2 -0.0069 -0.0053 -0.0097 1796 TYR 649 CZ -0.0069 -0.0054 -0.0099 1797 TYR 649 OH -0.0071 -0.0054 -0.0100 1798 ALA 650 N -0.0058 -0.0057 -0.0095 1799 ALA 650 CA -0.0056 -0.0059 -0.0096 1800 ALA 650 C -0.0056 -0.0060 -0.0099 1801 ALA 650 O -0.0053 -0.0062 -0.0100 1802 ALA 650 CB -0.0057 -0.0058 -0.0095 1803 ARG 651 N -0.0061 -0.0062 -0.0101 1804 ARG 651 CA -0.0063 -0.0065 -0.0102 1805 ARG 651 C -0.0060 -0.0067 -0.0100 1806 ARG 651 O -0.0060 -0.0065 -0.0100 1807 ARG 651 CB -0.0066 -0.0065 -0.0104 1808 ARG 651 CG -0.0069 -0.0062 -0.0106 1809 ARG 651 CD -0.0072 -0.0063 -0.0108 1810 ARG 651 NE -0.0072 -0.0061 -0.0108 1811 ARG 651 CZ -0.0074 -0.0061 -0.0110 1812 ARG 651 NH1 -0.0077 -0.0063 -0.0112 1813 ARG 651 NH2 -0.0074 -0.0059 -0.0110 1814 PRO 652 N -0.0058 -0.0070 -0.0098 1815 PRO 652 CA -0.0055 -0.0071 -0.0096 1816 PRO 652 C -0.0057 -0.0073 -0.0097 1817 PRO 652 O -0.0055 -0.0073 -0.0096 1818 PRO 652 CB -0.0053 -0.0074 -0.0095 1819 PRO 652 CG -0.0056 -0.0075 -0.0096 1820 PRO 652 CD -0.0058 -0.0072 -0.0098 1821 GLU 653 N -0.0060 -0.0075 -0.0099 1822 GLU 653 CA -0.0061 -0.0077 -0.0099 1823 GLU 653 C -0.0062 -0.0075 -0.0100 1824 GLU 653 O -0.0062 -0.0076 -0.0100 1825 GLU 653 CB -0.0065 -0.0080 -0.0101 1826 GLU 653 CG -0.0068 -0.0077 -0.0104 1827 GLU 653 CD -0.0068 -0.0076 -0.0104 1828 GLU 653 OE1 -0.0065 -0.0076 -0.0102 1829 GLU 653 OE2 -0.0070 -0.0074 -0.0106 1830 VAL 654 N -0.0069 -0.0072 -0.0098 1831 VAL 654 CA -0.0068 -0.0069 -0.0099 1832 VAL 654 C -0.0065 -0.0067 -0.0096 1833 VAL 654 O -0.0064 -0.0066 -0.0095 1834 VAL 654 CB -0.0070 -0.0066 -0.0102 1835 VAL 654 CG1 -0.0069 -0.0062 -0.0103 1836 VAL 654 CG2 -0.0073 -0.0068 -0.0105 1837 VAL 655 N -0.0063 -0.0067 -0.0094 1838 VAL 655 CA -0.0060 -0.0066 -0.0092 1839 VAL 655 C -0.0059 -0.0068 -0.0089 1840 VAL 655 O -0.0056 -0.0066 -0.0088 1841 VAL 655 CB -0.0059 -0.0066 -0.0090 1842 VAL 655 CG1 -0.0055 -0.0065 -0.0088 1843 VAL 655 CG2 -0.0060 -0.0064 -0.0093 1844 GLY 656 N -0.0060 -0.0072 -0.0089 1845 GLY 656 CA -0.0059 -0.0074 -0.0086 1846 GLY 656 C -0.0058 -0.0072 -0.0087 1847 GLY 656 O -0.0056 -0.0073 -0.0084 1848 GLN 657 N -0.0064 -0.0074 -0.0088 1849 GLN 657 CA -0.0064 -0.0070 -0.0089 1850 GLN 657 C -0.0064 -0.0064 -0.0089 1851 GLN 657 O -0.0063 -0.0060 -0.0088 1852 GLN 657 CB -0.0067 -0.0071 -0.0095 1853 GLN 657 CG -0.0069 -0.0071 -0.0098 1854 GLN 657 CD -0.0072 -0.0072 -0.0104 1855 GLN 657 NE2 -0.0074 -0.0070 -0.0107 1856 GLN 657 OE1 -0.0072 -0.0074 -0.0104 1857 THR 658 N -0.0064 -0.0063 -0.0089 1858 THR 658 CA -0.0063 -0.0057 -0.0089 1859 THR 658 C -0.0060 -0.0055 -0.0083 1860 THR 658 O -0.0060 -0.0050 -0.0083 1861 THR 658 CB -0.0063 -0.0056 -0.0089 1862 THR 658 CG2 -0.0066 -0.0058 -0.0095 1863 THR 658 OG1 -0.0062 -0.0060 -0.0086 1864 GLY 659 N -0.0058 -0.0059 -0.0080 1865 GLY 659 CA -0.0056 -0.0057 -0.0075 1866 GLY 659 C -0.0055 -0.0056 -0.0074 1867 GLY 659 O -0.0054 -0.0051 -0.0072 1868 ALA 660 N -0.0057 -0.0060 -0.0071 1869 ALA 660 CA -0.0056 -0.0060 -0.0070 1870 ALA 660 C -0.0057 -0.0054 -0.0073 1871 ALA 660 O -0.0056 -0.0051 -0.0071 1872 ALA 660 CB -0.0058 -0.0065 -0.0072 1873 LEU 661 N -0.0060 -0.0053 -0.0078 1874 LEU 661 CA -0.0061 -0.0048 -0.0081 1875 LEU 661 C -0.0059 -0.0043 -0.0079 1876 LEU 661 O -0.0058 -0.0039 -0.0079 1877 LEU 661 CB -0.0064 -0.0048 -0.0087 1878 LEU 661 CG -0.0065 -0.0044 -0.0090 1879 LEU 661 CD1 -0.0064 -0.0044 -0.0089 1880 LEU 661 CD2 -0.0068 -0.0045 -0.0096 1881 LEU 662 N -0.0058 -0.0042 -0.0077 1882 LEU 662 CA -0.0055 -0.0037 -0.0075 1883 LEU 662 C -0.0053 -0.0036 -0.0070 1884 LEU 662 O -0.0051 -0.0031 -0.0069 1885 LEU 662 CB -0.0055 -0.0037 -0.0074 1886 LEU 662 CG -0.0057 -0.0035 -0.0079 1887 LEU 662 CD1 -0.0060 -0.0039 -0.0083 1888 LEU 662 CD2 -0.0056 -0.0033 -0.0077 1889 ARG 663 N -0.0051 -0.0038 -0.0062 1890 ARG 663 CA -0.0048 -0.0038 -0.0057 1891 ARG 663 C -0.0047 -0.0036 -0.0057 1892 ARG 663 O -0.0044 -0.0032 -0.0055 1893 ARG 663 CB -0.0048 -0.0043 -0.0053 1894 ARG 663 CG -0.0046 -0.0044 -0.0051 1895 ARG 663 CD -0.0046 -0.0049 -0.0047 1896 ARG 663 NE -0.0049 -0.0054 -0.0049 1897 ARG 663 CZ -0.0052 -0.0056 -0.0051 1898 ARG 663 NH1 -0.0051 -0.0053 -0.0052 1899 ARG 663 NH2 -0.0055 -0.0060 -0.0053 1900 ALA 664 N -0.0050 -0.0038 -0.0060 1901 ALA 664 CA -0.0049 -0.0037 -0.0060 1902 ALA 664 C -0.0049 -0.0031 -0.0063 1903 ALA 664 O -0.0046 -0.0028 -0.0061 1904 ALA 664 CB -0.0053 -0.0041 -0.0063 1905 LYS 665 N -0.0050 -0.0029 -0.0067 1906 LYS 665 CA -0.0049 -0.0023 -0.0070 1907 LYS 665 C -0.0046 -0.0019 -0.0066 1908 LYS 665 O -0.0044 -0.0015 -0.0066 1909 LYS 665 CB -0.0052 -0.0022 -0.0075 1910 LYS 665 CG -0.0056 -0.0024 -0.0079 1911 LYS 665 CD -0.0056 -0.0020 -0.0082 1912 LYS 665 CE -0.0056 -0.0015 -0.0085 1913 LYS 665 NZ -0.0059 -0.0017 -0.0089 1914 LEU 666 N -0.0045 -0.0016 -0.0058 1915 LEU 666 CA -0.0041 -0.0013 -0.0055 1916 LEU 666 C -0.0038 -0.0012 -0.0049 1917 LEU 666 O -0.0034 -0.0008 -0.0048 1918 LEU 666 CB -0.0043 -0.0015 -0.0053 1919 LEU 666 CG -0.0039 -0.0012 -0.0050 1920 LEU 666 CD1 -0.0036 -0.0007 -0.0055 1921 LEU 666 CD2 -0.0040 -0.0015 -0.0049 1922 ALA 667 N -0.0040 -0.0016 -0.0045 1923 ALA 667 CA -0.0037 -0.0016 -0.0039 1924 ALA 667 C -0.0034 -0.0012 -0.0041 1925 ALA 667 O -0.0030 -0.0009 -0.0038 1926 ALA 667 CB -0.0039 -0.0022 -0.0036 1927 GLN 668 N -0.0037 -0.0013 -0.0045 1928 GLN 668 CA -0.0034 -0.0009 -0.0047 1929 GLN 668 C -0.0031 -0.0003 -0.0050 1930 GLN 668 O -0.0027 0.0000 -0.0048 1931 GLN 668 CB -0.0038 -0.0011 -0.0051 1932 GLN 668 CG -0.0036 -0.0008 -0.0052 1933 GLN 668 CD -0.0035 -0.0003 -0.0058 1934 GLN 668 NE2 -0.0031 0.0001 -0.0058 1935 GLN 668 OE1 -0.0036 -0.0003 -0.0062 1936 GLY 669 N -0.0034 -0.0003 -0.0051 1937 GLY 669 CA -0.0032 0.0004 -0.0053 1938 GLY 669 C -0.0034 0.0008 -0.0061 1939 GLY 669 O -0.0031 0.0014 -0.0063 1940 ALA 670 N -0.0038 0.0003 -0.0066 1941 ALA 670 CA -0.0039 0.0007 -0.0074 1942 ALA 670 C -0.0039 0.0010 -0.0077 1943 ALA 670 O -0.0039 0.0015 -0.0082 1944 ALA 670 CB -0.0044 0.0001 -0.0078 1945 TYR 671 N -0.0039 0.0008 -0.0074 1946 TYR 671 CA -0.0038 0.0011 -0.0077 1947 TYR 671 C -0.0034 0.0019 -0.0075 1948 TYR 671 O -0.0034 0.0022 -0.0077 1949 TYR 671 CB -0.0040 0.0006 -0.0074 1950 TYR 671 CG -0.0044 -0.0001 -0.0076 1951 TYR 671 CD1 -0.0047 -0.0001 -0.0083 1952 TYR 671 CD2 -0.0045 -0.0007 -0.0071 1953 TYR 671 CE1 -0.0051 -0.0008 -0.0086 1954 TYR 671 CE2 -0.0049 -0.0013 -0.0074 1955 TYR 671 CZ -0.0052 -0.0014 -0.0081 1956 TYR 671 OH -0.0056 -0.0020 -0.0083 1957 ARG 672 N -0.0029 0.0025 -0.0067 1958 ARG 672 CA -0.0024 0.0032 -0.0065 1959 ARG 672 C -0.0024 0.0038 -0.0072 1960 ARG 672 O -0.0020 0.0043 -0.0072 1961 ARG 672 CB -0.0021 0.0033 -0.0059 1962 ARG 672 CG -0.0016 0.0038 -0.0055 1963 ARG 672 CD -0.0013 0.0039 -0.0049 1964 ARG 672 NE -0.0015 0.0032 -0.0044 1965 ARG 672 CZ -0.0014 0.0030 -0.0038 1966 ARG 672 NH1 -0.0011 0.0033 -0.0037 1967 ARG 672 NH2 -0.0015 0.0024 -0.0034 1968 THR 673 N -0.0027 0.0036 -0.0078 1969 THR 673 CA -0.0027 0.0041 -0.0085 1970 THR 673 C -0.0028 0.0043 -0.0089 1971 THR 673 O -0.0027 0.0048 -0.0094 1972 THR 673 CB -0.0030 0.0039 -0.0089 1973 THR 673 CG2 -0.0035 0.0033 -0.0091 1974 THR 673 OG1 -0.0030 0.0045 -0.0096 1975 ALA 674 N -0.0030 0.0039 -0.0087 1976 ALA 674 CA -0.0030 0.0040 -0.0091 1977 ALA 674 C -0.0026 0.0046 -0.0088 1978 ALA 674 O -0.0023 0.0045 -0.0081 1979 ALA 674 CB -0.0034 0.0034 -0.0090 1980 VAL 675 N -0.0025 0.0051 -0.0094 1981 VAL 675 CA -0.0020 0.0057 -0.0090 1982 VAL 675 C -0.0021 0.0056 -0.0090 1983 VAL 675 O -0.0018 0.0059 -0.0084 1984 VAL 675 CB -0.0018 0.0065 -0.0096 1985 VAL 675 CG1 -0.0021 0.0065 -0.0105 1986 VAL 675 CG2 -0.0014 0.0072 -0.0092 1987 ASP 676 N -0.0025 0.0051 -0.0095 1988 ASP 676 CA -0.0026 0.0050 -0.0095 1989 ASP 676 C -0.0030 0.0041 -0.0096 1990 ASP 676 O -0.0032 0.0036 -0.0097 1991 ASP 676 CB -0.0025 0.0055 -0.0103 1992 ASP 676 CG -0.0024 0.0057 -0.0101 1993 ASP 676 OD1 -0.0023 0.0054 -0.0095 1994 ASP 676 OD2 -0.0023 0.0062 -0.0106 1995 LEU 677 N -0.0031 0.0039 -0.0095 1996 LEU 677 CA -0.0035 0.0030 -0.0094 1997 LEU 677 C -0.0039 0.0027 -0.0102 1998 LEU 677 O -0.0042 0.0020 -0.0102 1999 LEU 677 CB -0.0035 0.0029 -0.0092 2000 LEU 677 CG -0.0032 0.0029 -0.0083 2001 LEU 677 CD1 -0.0031 0.0031 -0.0081 2002 LEU 677 CD2 -0.0034 0.0021 -0.0078 2003 GLU 678 N -0.0039 0.0031 -0.0101 2004 GLU 678 CA -0.0042 0.0029 -0.0108 2005 GLU 678 C -0.0044 0.0028 -0.0110 2006 GLU 678 O -0.0046 0.0023 -0.0112 2007 GLU 678 CB -0.0042 0.0034 -0.0113 2008 GLU 678 CG -0.0045 0.0032 -0.0120 2009 GLU 678 CD -0.0048 0.0026 -0.0121 2010 GLU 678 OE1 -0.0047 0.0025 -0.0117 2011 GLU 678 OE2 -0.0051 0.0022 -0.0125 2012 SER 679 N -0.0041 0.0032 -0.0108 2013 SER 679 CA -0.0042 0.0031 -0.0109 2014 SER 679 C -0.0043 0.0024 -0.0105 2015 SER 679 O -0.0045 0.0021 -0.0108 2016 SER 679 CB -0.0040 0.0037 -0.0108 2017 SER 679 OG -0.0040 0.0036 -0.0109 2018 LEU 680 N -0.0042 0.0023 -0.0099 2019 LEU 680 CA -0.0043 0.0017 -0.0095 2020 LEU 680 C -0.0046 0.0011 -0.0097 2021 LEU 680 O -0.0048 0.0006 -0.0097 2022 LEU 680 CB -0.0040 0.0018 -0.0087 2023 LEU 680 CG -0.0041 0.0011 -0.0083 2024 LEU 680 CD1 -0.0041 0.0010 -0.0082 2025 LEU 680 CD2 -0.0039 0.0012 -0.0076 2026 ALA 681 N -0.0049 0.0010 -0.0095 2027 ALA 681 CA -0.0052 0.0005 -0.0098 2028 ALA 681 C -0.0055 0.0003 -0.0104 2029 ALA 681 O -0.0058 -0.0003 -0.0105 2030 ALA 681 CB -0.0052 0.0006 -0.0100 2031 SER 682 N -0.0055 0.0008 -0.0109 2032 SER 682 CA -0.0057 0.0007 -0.0114 2033 SER 682 C -0.0058 0.0004 -0.0112 2034 SER 682 O -0.0061 -0.0001 -0.0115 2035 SER 682 CB -0.0056 0.0014 -0.0119 2036 SER 682 OG -0.0054 0.0017 -0.0116 2037 GLN 683 N -0.0055 0.0006 -0.0107 2038 GLN 683 CA -0.0056 0.0002 -0.0105 2039 GLN 683 C -0.0057 -0.0005 -0.0102 2040 GLN 683 O -0.0060 -0.0009 -0.0103 2041 GLN 683 CB -0.0052 0.0006 -0.0100 2042 GLN 683 CG -0.0051 0.0012 -0.0103 2043 GLN 683 CD -0.0048 0.0015 -0.0097 2044 GLN 683 NE2 -0.0047 0.0011 -0.0092 2045 GLN 683 OE1 -0.0046 0.0020 -0.0099 2046 LEU 684 N -0.0060 -0.0010 -0.0096 2047 LEU 684 CA -0.0060 -0.0015 -0.0094 2048 LEU 684 C -0.0064 -0.0018 -0.0098 2049 LEU 684 O -0.0065 -0.0023 -0.0098 2050 LEU 684 CB -0.0057 -0.0015 -0.0090 2051 LEU 684 CG -0.0054 -0.0014 -0.0086 2052 LEU 684 CD1 -0.0051 -0.0012 -0.0083 2053 LEU 684 CD2 -0.0054 -0.0020 -0.0083 2054 THR 685 N -0.0065 -0.0015 -0.0101 2055 THR 685 CA -0.0068 -0.0018 -0.0104 2056 THR 685 C -0.0071 -0.0019 -0.0107 2057 THR 685 O -0.0074 -0.0024 -0.0109 2058 THR 685 CB -0.0069 -0.0014 -0.0107 2059 THR 685 CG2 -0.0069 -0.0009 -0.0109 2060 THR 685 OG1 -0.0072 -0.0017 -0.0110 2061 ALA 686 N -0.0071 -0.0016 -0.0108 2062 ALA 686 CA -0.0074 -0.0018 -0.0111 2063 ALA 686 C -0.0073 -0.0023 -0.0109 2064 ALA 686 O -0.0076 -0.0027 -0.0111 2065 ALA 686 CB -0.0073 -0.0013 -0.0112 2066 ASP 687 N -0.0073 -0.0026 -0.0102 2067 ASP 687 CA -0.0072 -0.0030 -0.0100 2068 ASP 687 C -0.0073 -0.0034 -0.0100 2069 ASP 687 O -0.0074 -0.0038 -0.0102 2070 ASP 687 CB -0.0069 -0.0029 -0.0096 2071 ASP 687 CG -0.0069 -0.0033 -0.0095 2072 ASP 687 OD1 -0.0071 -0.0036 -0.0097 2073 ASP 687 OD2 -0.0067 -0.0033 -0.0091 2074 LEU 688 N -0.0072 -0.0034 -0.0099 2075 LEU 688 CA -0.0072 -0.0038 -0.0099 2076 LEU 688 C -0.0075 -0.0039 -0.0102 2077 LEU 688 O -0.0076 -0.0043 -0.0103 2078 LEU 688 CB -0.0071 -0.0037 -0.0096 2079 LEU 688 CG -0.0068 -0.0037 -0.0092 2080 LEU 688 CD1 -0.0066 -0.0036 -0.0090 2081 LEU 688 CD2 -0.0067 -0.0041 -0.0090 2082 GLN 689 N -0.0077 -0.0036 -0.0105 2083 GLN 689 CA -0.0079 -0.0037 -0.0109 2084 GLN 689 C -0.0081 -0.0039 -0.0111 2085 GLN 689 O -0.0083 -0.0043 -0.0113 2086 GLN 689 CB -0.0080 -0.0033 -0.0111 2087 GLN 689 CG -0.0080 -0.0032 -0.0110 2088 GLN 689 CD -0.0080 -0.0027 -0.0112 2089 GLN 689 NE2 -0.0082 -0.0026 -0.0116 2090 GLN 689 OE1 -0.0079 -0.0024 -0.0111 2091 GLU 690 N -0.0082 -0.0038 -0.0112 2092 GLU 690 CA -0.0083 -0.0040 -0.0114 2093 GLU 690 C -0.0083 -0.0044 -0.0113 2094 GLU 690 O -0.0084 -0.0047 -0.0115 2095 GLU 690 CB -0.0083 -0.0036 -0.0114 2096 GLU 690 CG -0.0081 -0.0035 -0.0110 2097 GLU 690 CD -0.0081 -0.0039 -0.0110 2098 GLU 690 OE1 -0.0083 -0.0040 -0.0113 2099 GLU 690 OE2 -0.0078 -0.0039 -0.0107 2100 MET 691 N -0.0080 -0.0045 -0.0109 2101 MET 691 CA -0.0079 -0.0050 -0.0108 2102 MET 691 C -0.0079 -0.0054 -0.0107 2103 MET 691 O -0.0079 -0.0058 -0.0108 2104 MET 691 CB -0.0077 -0.0049 -0.0104 2105 MET 691 CG -0.0074 -0.0049 -0.0100 2106 MET 691 SD -0.0073 -0.0055 -0.0098 2107 MET 691 CE -0.0071 -0.0057 -0.0096 2108 SER 692 N -0.0078 -0.0053 -0.0106 2109 SER 692 CA -0.0078 -0.0057 -0.0106 2110 SER 692 C -0.0081 -0.0058 -0.0110 2111 SER 692 O -0.0081 -0.0062 -0.0110 2112 SER 692 CB -0.0076 -0.0055 -0.0103 2113 SER 692 OG -0.0077 -0.0051 -0.0105 2114 GLY 693 N -0.0087 -0.0061 -0.0116 2115 GLY 693 CA -0.0088 -0.0060 -0.0115 2116 GLY 693 C -0.0087 -0.0058 -0.0112 2117 GLY 693 O -0.0087 -0.0057 -0.0112 2118 ASP 694 N -0.0086 -0.0057 -0.0111 2119 ASP 694 CA -0.0085 -0.0054 -0.0109 2120 ASP 694 C -0.0087 -0.0053 -0.0107 2121 ASP 694 O -0.0087 -0.0053 -0.0107 2122 ASP 694 CB -0.0081 -0.0054 -0.0109 2123 ASP 694 CG -0.0080 -0.0052 -0.0106 2124 ASP 694 OD1 -0.0081 -0.0050 -0.0104 2125 ASP 694 OD2 -0.0077 -0.0051 -0.0107 2126 HIS 695 N -0.0088 -0.0051 -0.0105 2127 HIS 695 CA -0.0090 -0.0049 -0.0103 2128 HIS 695 C -0.0088 -0.0047 -0.0101 2129 HIS 695 O -0.0089 -0.0046 -0.0099 2130 HIS 695 CB -0.0093 -0.0049 -0.0102 2131 HIS 695 CG -0.0092 -0.0048 -0.0101 2132 HIS 695 CD2 -0.0092 -0.0046 -0.0099 2133 HIS 695 ND1 -0.0091 -0.0049 -0.0102 2134 HIS 695 CE1 -0.0090 -0.0047 -0.0101 2135 HIS 695 NE2 -0.0091 -0.0045 -0.0099 2136 ARG 696 N -0.0083 -0.0044 -0.0105 2137 ARG 696 CA -0.0081 -0.0042 -0.0104 2138 ARG 696 C -0.0078 -0.0041 -0.0101 2139 ARG 696 O -0.0076 -0.0038 -0.0101 2140 ARG 696 CB -0.0081 -0.0044 -0.0103 2141 ARG 696 CG -0.0084 -0.0045 -0.0106 2142 ARG 696 CD -0.0084 -0.0049 -0.0105 2143 ARG 696 NE -0.0082 -0.0052 -0.0104 2144 ARG 696 CZ -0.0081 -0.0054 -0.0103 2145 ARG 696 NH1 -0.0081 -0.0055 -0.0103 2146 ARG 696 NH2 -0.0079 -0.0057 -0.0102 2147 LEU 697 N -0.0076 -0.0043 -0.0100 2148 LEU 697 CA -0.0073 -0.0043 -0.0098 2149 LEU 697 C -0.0073 -0.0039 -0.0099 2150 LEU 697 O -0.0075 -0.0039 -0.0100 2151 LEU 697 CB -0.0072 -0.0046 -0.0098 2152 LEU 697 CG -0.0069 -0.0046 -0.0095 2153 LEU 697 CD1 -0.0066 -0.0044 -0.0094 2154 LEU 697 CD2 -0.0068 -0.0050 -0.0095 2155 LEU 698 N -0.0071 -0.0036 -0.0097 2156 LEU 698 CA -0.0071 -0.0033 -0.0097 2157 LEU 698 C -0.0068 -0.0031 -0.0095 2158 LEU 698 O -0.0066 -0.0032 -0.0094 2159 LEU 698 CB -0.0073 -0.0030 -0.0099 2160 LEU 698 CG -0.0073 -0.0026 -0.0099 2161 LEU 698 CD1 -0.0075 -0.0025 -0.0100 2162 LEU 698 CD2 -0.0074 -0.0023 -0.0099 2163 VAL 699 N -0.0063 -0.0024 -0.0102 2164 VAL 699 CA -0.0060 -0.0021 -0.0098 2165 VAL 699 C -0.0058 -0.0015 -0.0101 2166 VAL 699 O -0.0059 -0.0013 -0.0103 2167 VAL 699 CB -0.0057 -0.0021 -0.0094 2168 VAL 699 CG1 -0.0054 -0.0018 -0.0090 2169 VAL 699 CG2 -0.0059 -0.0027 -0.0091 2170 PHE 700 N -0.0057 -0.0014 -0.0100 2171 PHE 700 CA -0.0056 -0.0008 -0.0102 2172 PHE 700 C -0.0053 -0.0006 -0.0098 2173 PHE 700 O -0.0052 -0.0008 -0.0095 2174 PHE 700 CB -0.0058 -0.0008 -0.0107 2175 PHE 700 CG -0.0059 -0.0011 -0.0106 2176 PHE 700 CD1 -0.0062 -0.0017 -0.0106 2177 PHE 700 CD2 -0.0058 -0.0009 -0.0104 2178 PHE 700 CE1 -0.0063 -0.0020 -0.0105 2179 PHE 700 CE2 -0.0058 -0.0013 -0.0103 2180 PHE 700 CZ -0.0061 -0.0018 -0.0104 2181 HIS 701 N -0.0051 -0.0001 -0.0099 2182 HIS 701 CA -0.0047 0.0002 -0.0096 2183 HIS 701 C -0.0047 0.0004 -0.0098 2184 HIS 701 O -0.0048 0.0007 -0.0102 2185 HIS 701 CB -0.0045 0.0007 -0.0095 2186 HIS 701 CG -0.0042 0.0011 -0.0093 2187 HIS 701 CD2 -0.0039 0.0011 -0.0088 2188 HIS 701 ND1 -0.0041 0.0015 -0.0095 2189 HIS 701 CE1 -0.0038 0.0018 -0.0092 2190 HIS 701 NE2 -0.0037 0.0015 -0.0088 2191 SER 702 N -0.0048 0.0001 -0.0095 2192 SER 702 CA -0.0048 0.0002 -0.0096 2193 SER 702 C -0.0051 0.0000 -0.0100 2194 SER 702 O -0.0053 -0.0004 -0.0101 2195 SER 702 CB -0.0046 0.0007 -0.0095 2196 SER 702 OG -0.0044 0.0008 -0.0090 2197 PRO 721 N 0.0005 -0.0042 0.0166 2198 PRO 721 CA 0.0012 -0.0041 0.0170 2199 PRO 721 C 0.0006 -0.0042 0.0173 2200 PRO 721 O 0.0006 -0.0042 0.0167 2201 PRO 721 CB 0.0018 -0.0040 0.0179 2202 PRO 721 CG 0.0018 -0.0040 0.0177 2203 PRO 721 CD 0.0008 -0.0042 0.0172 2204 GLU 722 N 0.0002 -0.0044 0.0183 2205 GLU 722 CA -0.0004 -0.0045 0.0186 2206 GLU 722 C -0.0014 -0.0047 0.0180 2207 GLU 722 O -0.0016 -0.0048 0.0178 2208 GLU 722 CB -0.0006 -0.0046 0.0198 2209 GLU 722 CG -0.0011 -0.0048 0.0201 2210 GLU 722 CD -0.0022 -0.0050 0.0199 2211 GLU 722 OE1 -0.0027 -0.0051 0.0199 2212 GLU 722 OE2 -0.0027 -0.0051 0.0199 2213 GLU 723 N -0.0019 -0.0048 0.0177 2214 GLU 723 CA -0.0027 -0.0050 0.0170 2215 GLU 723 C -0.0025 -0.0049 0.0160 2216 GLU 723 O -0.0030 -0.0050 0.0155 2217 GLU 723 CB -0.0032 -0.0051 0.0168 2218 GLU 723 CG -0.0042 -0.0053 0.0162 2219 GLU 723 CD -0.0040 -0.0052 0.0150 2220 GLU 723 OE1 -0.0033 -0.0050 0.0148 2221 GLU 723 OE2 -0.0046 -0.0053 0.0144 2222 LEU 724 N -0.0016 -0.0046 0.0155 2223 LEU 724 CA -0.0012 -0.0045 0.0145 2224 LEU 724 C -0.0010 -0.0044 0.0146 2225 LEU 724 O -0.0013 -0.0045 0.0139 2226 LEU 724 CB -0.0003 -0.0042 0.0141 2227 LEU 724 CG 0.0002 -0.0040 0.0131 2228 LEU 724 CD1 0.0008 -0.0039 0.0127 2229 LEU 724 CD2 0.0009 -0.0039 0.0131 2230 SER 725 N -0.0006 -0.0044 0.0155 2231 SER 725 CA -0.0003 -0.0043 0.0157 2232 SER 725 C -0.0013 -0.0045 0.0157 2233 SER 725 O -0.0014 -0.0045 0.0153 2234 SER 725 CB 0.0003 -0.0042 0.0166 2235 SER 725 OG 0.0012 -0.0040 0.0166 2236 TYR 726 N -0.0020 -0.0048 0.0163 2237 TYR 726 CA -0.0030 -0.0050 0.0164 2238 TYR 726 C -0.0035 -0.0051 0.0154 2239 TYR 726 O -0.0039 -0.0052 0.0151 2240 TYR 726 CB -0.0037 -0.0052 0.0172 2241 TYR 726 CG -0.0032 -0.0051 0.0183 2242 TYR 726 CD1 -0.0023 -0.0049 0.0186 2243 TYR 726 CD2 -0.0037 -0.0053 0.0191 2244 TYR 726 CE1 -0.0019 -0.0049 0.0196 2245 TYR 726 CE2 -0.0033 -0.0052 0.0201 2246 TYR 726 CZ -0.0024 -0.0050 0.0203 2247 TYR 726 OH -0.0020 -0.0050 0.0213 2248 LEU 727 N -0.0035 -0.0050 0.0147 2249 LEU 727 CA -0.0040 -0.0051 0.0138 2250 LEU 727 C -0.0035 -0.0050 0.0131 2251 LEU 727 O -0.0040 -0.0051 0.0126 2252 LEU 727 CB -0.0039 -0.0051 0.0133 2253 LEU 727 CG -0.0043 -0.0052 0.0122 2254 LEU 727 CD1 -0.0053 -0.0054 0.0121 2255 LEU 727 CD2 -0.0041 -0.0051 0.0118 2256 ILE 728 N -0.0026 -0.0048 0.0130 2257 ILE 728 CA -0.0021 -0.0046 0.0123 2258 ILE 728 C -0.0022 -0.0047 0.0126 2259 ILE 728 O -0.0023 -0.0047 0.0120 2260 ILE 728 CB -0.0010 -0.0044 0.0122 2261 ILE 728 CG1 -0.0004 -0.0043 0.0131 2262 ILE 728 CG2 -0.0009 -0.0044 0.0118 2263 ILE 728 CD1 0.0006 -0.0040 0.0130 2264 GLU 729 N -0.0022 -0.0047 0.0136 2265 GLU 729 CA -0.0024 -0.0047 0.0139 2266 GLU 729 C -0.0034 -0.0050 0.0138 2267 GLU 729 O -0.0036 -0.0050 0.0137 2268 GLU 729 CB -0.0021 -0.0047 0.0150 2269 GLU 729 CG -0.0010 -0.0044 0.0152 2270 GLU 729 CD -0.0004 -0.0043 0.0149 2271 GLU 729 OE1 -0.0009 -0.0044 0.0146 2272 GLU 729 OE2 0.0005 -0.0041 0.0149 2273 ALA 730 N -0.0040 -0.0051 0.0138 2274 ALA 730 CA -0.0050 -0.0054 0.0136 2275 ALA 730 C -0.0051 -0.0054 0.0125 2276 ALA 730 O -0.0057 -0.0056 0.0122 2277 ALA 730 CB -0.0056 -0.0056 0.0139 2278 LEU 731 N -0.0045 -0.0053 0.0118 2279 LEU 731 CA -0.0046 -0.0053 0.0108 2280 LEU 731 C -0.0042 -0.0052 0.0105 2281 LEU 731 O -0.0046 -0.0053 0.0098 2282 LEU 731 CB -0.0041 -0.0052 0.0102 2283 LEU 731 CG -0.0047 -0.0053 0.0101 2284 LEU 731 CD1 -0.0041 -0.0052 0.0095 2285 LEU 731 CD2 -0.0057 -0.0056 0.0097 2286 PHE 732 N -0.0034 -0.0050 0.0109 2287 PHE 732 CA -0.0029 -0.0049 0.0106 2288 PHE 732 C -0.0032 -0.0049 0.0112 2289 PHE 732 O -0.0035 -0.0050 0.0121 2290 PHE 732 CB -0.0018 -0.0046 0.0106 2291 PHE 732 CG -0.0015 -0.0045 0.0098 2292 PHE 732 CD1 -0.0020 -0.0046 0.0089 2293 PHE 732 CD2 -0.0006 -0.0043 0.0098 2294 PHE 732 CE1 -0.0017 -0.0046 0.0082 2295 PHE 732 CE2 -0.0003 -0.0042 0.0091 2296 PHE 732 CZ -0.0008 -0.0043 0.0082 2297 LYS 733 N -0.0030 -0.0049 0.0108 2298 LYS 733 CA -0.0031 -0.0049 0.0113 2299 LYS 733 C -0.0023 -0.0046 0.0111 2300 LYS 733 O -0.0023 -0.0047 0.0104 2301 LYS 733 CB -0.0040 -0.0051 0.0111 2302 LYS 733 CG -0.0042 -0.0052 0.0118 2303 LYS 733 CD -0.0051 -0.0054 0.0116 2304 LYS 733 CE -0.0051 -0.0055 0.0108 2305 LYS 733 NZ -0.0046 -0.0053 0.0110 2306 THR 734 N -0.0015 -0.0044 0.0116 2307 THR 734 CA -0.0007 -0.0042 0.0114 2308 THR 734 C -0.0005 -0.0041 0.0121 2309 THR 734 O -0.0004 -0.0040 0.0129 2310 THR 734 CB 0.0001 -0.0039 0.0114 2311 THR 734 CG2 -0.0002 -0.0040 0.0109 2312 THR 734 OG1 0.0003 -0.0038 0.0123 2313 GLU 735 N -0.0005 -0.0041 0.0117 2314 GLU 735 CA -0.0003 -0.0040 0.0123 2315 GLU 735 C 0.0003 -0.0039 0.0118 2316 GLU 735 O 0.0003 -0.0039 0.0109 2317 GLU 735 CB -0.0011 -0.0042 0.0126 2318 GLU 735 CG -0.0018 -0.0045 0.0119 2319 GLU 735 CD -0.0020 -0.0045 0.0117 2320 GLU 735 OE1 -0.0014 -0.0043 0.0119 2321 GLU 735 OE2 -0.0027 -0.0047 0.0113 2322 VAL 736 N 0.0008 -0.0036 0.0122 2323 VAL 736 CA 0.0013 -0.0035 0.0117 2324 VAL 736 C 0.0008 -0.0036 0.0118 2325 VAL 736 O 0.0009 -0.0036 0.0126 2326 VAL 736 CB 0.0023 -0.0032 0.0120 2327 VAL 736 CG1 0.0029 -0.0030 0.0114 2328 VAL 736 CG2 0.0027 -0.0031 0.0121 2329 LEU 737 N 0.0004 -0.0038 0.0111 2330 LEU 737 CA -0.0001 -0.0039 0.0112 2331 LEU 737 C 0.0005 -0.0037 0.0113 2332 LEU 737 O 0.0013 -0.0035 0.0110 2333 LEU 737 CB -0.0007 -0.0041 0.0103 2334 LEU 737 CG -0.0016 -0.0044 0.0104 2335 LEU 737 CD1 -0.0021 -0.0046 0.0094 2336 LEU 737 CD2 -0.0022 -0.0045 0.0111 2337 PRO 738 N 0.0003 -0.0038 0.0117 2338 PRO 738 CA 0.0009 -0.0036 0.0118 2339 PRO 738 C 0.0013 -0.0035 0.0109 2340 PRO 738 O 0.0008 -0.0037 0.0102 2341 PRO 738 CB 0.0003 -0.0038 0.0123 2342 PRO 738 CG -0.0005 -0.0040 0.0127 2343 PRO 738 CD -0.0006 -0.0040 0.0120 2344 GLY 739 N 0.0021 -0.0032 0.0109 2345 GLY 739 CA 0.0025 -0.0031 0.0100 2346 GLY 739 C 0.0031 -0.0030 0.0096 2347 GLY 739 O 0.0034 -0.0029 0.0088 2348 ARG 740 N 0.0033 -0.0029 0.0102 2349 ARG 740 CA 0.0038 -0.0028 0.0099 2350 ARG 740 C 0.0033 -0.0029 0.0090 2351 ARG 740 O 0.0038 -0.0028 0.0083 2352 ARG 740 CB 0.0048 -0.0025 0.0097 2353 ARG 740 CG 0.0053 -0.0024 0.0106 2354 ARG 740 CD 0.0057 -0.0022 0.0111 2355 ARG 740 NE 0.0062 -0.0021 0.0104 2356 ARG 740 CZ 0.0071 -0.0019 0.0102 2357 ARG 740 NH1 0.0076 -0.0018 0.0106 2358 ARG 740 NH2 0.0075 -0.0018 0.0096 2359 LEU 741 N 0.0024 -0.0031 0.0091 2360 LEU 741 CA 0.0020 -0.0033 0.0083 2361 LEU 741 C 0.0015 -0.0034 0.0087 2362 LEU 741 O 0.0010 -0.0035 0.0094 2363 LEU 741 CB 0.0013 -0.0035 0.0079 2364 LEU 741 CG 0.0007 -0.0036 0.0071 2365 LEU 741 CD1 0.0010 -0.0036 0.0061 2366 LEU 741 CD2 -0.0003 -0.0039 0.0073 2367 GLY 742 N 0.0019 -0.0034 0.0082 2368 GLY 742 CA 0.0015 -0.0035 0.0085 2369 GLY 742 C 0.0006 -0.0038 0.0083 2370 GLY 742 O 0.0003 -0.0040 0.0078 2371 TYR 743 N 0.0001 -0.0040 0.0086 2372 TYR 743 CA -0.0008 -0.0043 0.0083 2373 TYR 743 C -0.0010 -0.0043 0.0083 2374 TYR 743 O -0.0017 -0.0045 0.0087 2375 TYR 743 CB -0.0015 -0.0045 0.0089 2376 TYR 743 CG -0.0024 -0.0048 0.0086 2377 TYR 743 CD1 -0.0026 -0.0049 0.0077 2378 TYR 743 CD2 -0.0031 -0.0049 0.0092 2379 TYR 743 CE1 -0.0035 -0.0051 0.0074 2380 TYR 743 CE2 -0.0040 -0.0052 0.0090 2381 TYR 743 CZ -0.0042 -0.0053 0.0080 2382 TYR 743 OH -0.0050 -0.0056 0.0078 2383 LEU 744 N -0.0005 -0.0042 0.0078 2384 LEU 744 CA -0.0006 -0.0042 0.0079 2385 LEU 744 C -0.0014 -0.0045 0.0074 2386 LEU 744 O -0.0016 -0.0046 0.0066 2387 LEU 744 CB 0.0002 -0.0040 0.0075 2388 LEU 744 CG 0.0003 -0.0040 0.0076 2389 LEU 744 CD1 0.0012 -0.0037 0.0076 2390 LEU 744 CD2 -0.0002 -0.0042 0.0069 2391 ARG 745 N -0.0020 -0.0047 0.0078 2392 ARG 745 CA -0.0028 -0.0050 0.0074 2393 ARG 745 C -0.0028 -0.0050 0.0072 2394 ARG 745 O -0.0026 -0.0049 0.0078 2395 ARG 745 CB -0.0036 -0.0052 0.0081 2396 ARG 745 CG -0.0045 -0.0055 0.0077 2397 ARG 745 CD -0.0053 -0.0057 0.0084 2398 ARG 745 NE -0.0056 -0.0058 0.0083 2399 ARG 745 CZ -0.0064 -0.0060 0.0086 2400 ARG 745 NH1 -0.0071 -0.0062 0.0089 2401 ARG 745 NH2 -0.0067 -0.0061 0.0084 2402 PHE 746 N -0.0031 -0.0051 0.0063 2403 PHE 746 CA -0.0032 -0.0051 0.0060 2404 PHE 746 C -0.0042 -0.0054 0.0060 2405 PHE 746 O -0.0046 -0.0056 0.0052 2406 PHE 746 CB -0.0027 -0.0050 0.0051 2407 PHE 746 CG -0.0017 -0.0047 0.0051 2408 PHE 746 CD1 -0.0014 -0.0046 0.0057 2409 PHE 746 CD2 -0.0011 -0.0045 0.0046 2410 PHE 746 CE1 -0.0005 -0.0043 0.0058 2411 PHE 746 CE2 -0.0002 -0.0042 0.0046 2412 PHE 746 CZ 0.0001 -0.0041 0.0052 2413 ASP 747 N -0.0046 -0.0055 0.0068 2414 ASP 747 CA -0.0055 -0.0058 0.0068 2415 ASP 747 C -0.0057 -0.0059 0.0062 2416 ASP 747 O -0.0064 -0.0061 0.0057 2417 ASP 747 CB -0.0058 -0.0059 0.0079 2418 ASP 747 CG -0.0062 -0.0060 0.0084 2419 ASP 747 OD1 -0.0066 -0.0061 0.0079 2420 ASP 747 OD2 -0.0061 -0.0059 0.0093 2421 ALA 748 N -0.0051 -0.0058 0.0061 2422 ALA 748 CA -0.0052 -0.0058 0.0055 2423 ALA 748 C -0.0043 -0.0055 0.0055 2424 ALA 748 O -0.0040 -0.0054 0.0062 2425 ALA 748 CB -0.0060 -0.0060 0.0059 2426 MET 749 N -0.0039 -0.0054 0.0046 2427 MET 749 CA -0.0031 -0.0052 0.0044 2428 MET 749 C -0.0031 -0.0052 0.0034 2429 MET 749 O -0.0029 -0.0051 0.0027 2430 MET 749 CB -0.0022 -0.0049 0.0045 2431 MET 749 CG -0.0019 -0.0048 0.0056 2432 MET 749 SD -0.0011 -0.0045 0.0059 2433 MET 749 CE -0.0000 -0.0042 0.0054 2434 ALA 750 N -0.0035 -0.0053 0.0034 2435 ALA 750 CA -0.0036 -0.0054 0.0025 2436 ALA 750 C -0.0031 -0.0052 0.0024 2437 ALA 750 O -0.0032 -0.0053 0.0018 2438 ALA 750 CB -0.0046 -0.0057 0.0023 2439 GLU 751 N -0.0025 -0.0050 0.0032 2440 GLU 751 CA -0.0020 -0.0049 0.0032 2441 GLU 751 C -0.0013 -0.0047 0.0024 2442 GLU 751 O -0.0011 -0.0047 0.0018 2443 GLU 751 CB -0.0015 -0.0047 0.0042 2444 GLU 751 CG -0.0022 -0.0049 0.0051 2445 GLU 751 CD -0.0025 -0.0050 0.0054 2446 GLU 751 OE1 -0.0023 -0.0049 0.0050 2447 GLU 751 OE2 -0.0031 -0.0052 0.0061 2448 LEU 752 N -0.0009 -0.0046 0.0023 2449 LEU 752 CA -0.0002 -0.0044 0.0015 2450 LEU 752 C 0.0007 -0.0042 0.0019 2451 LEU 752 O 0.0015 -0.0040 0.0016 2452 LEU 752 CB -0.0006 -0.0045 0.0008 2453 LEU 752 CG 0.0001 -0.0043 0.0001 2454 LEU 752 CD1 0.0006 -0.0042 -0.0005 2455 LEU 752 CD2 -0.0004 -0.0045 -0.0004 2456 GLU 753 N 0.0007 -0.0041 0.0026 2457 GLU 753 CA 0.0016 -0.0039 0.0030 2458 GLU 753 C 0.0017 -0.0039 0.0041 2459 GLU 753 O 0.0025 -0.0036 0.0044 2460 GLU 753 CB 0.0017 -0.0039 0.0028 2461 GLU 753 CG 0.0018 -0.0039 0.0017 2462 GLU 753 CD 0.0018 -0.0039 0.0015 2463 GLU 753 OE1 0.0018 -0.0039 0.0022 2464 GLU 753 OE2 0.0017 -0.0039 0.0006 2465 THR 754 N 0.0009 -0.0041 0.0047 2466 THR 754 CA 0.0009 -0.0040 0.0057 2467 THR 754 C 0.0014 -0.0039 0.0059 2468 THR 754 O 0.0017 -0.0038 0.0067 2469 THR 754 CB -0.0000 -0.0043 0.0062 2470 THR 754 CG2 -0.0005 -0.0044 0.0059 2471 THR 754 OG1 -0.0006 -0.0045 0.0059 2472 VAL 755 N 0.0013 -0.0039 0.0052 2473 VAL 755 CA 0.0017 -0.0038 0.0053 2474 VAL 755 C 0.0028 -0.0035 0.0054 2475 VAL 755 O 0.0032 -0.0033 0.0061 2476 VAL 755 CB 0.0015 -0.0039 0.0045 2477 VAL 755 CG1 0.0021 -0.0037 0.0044 2478 VAL 755 CG2 0.0004 -0.0042 0.0046 2479 LYS 756 N 0.0033 -0.0034 0.0048 2480 LYS 756 CA 0.0043 -0.0031 0.0049 2481 LYS 756 C 0.0044 -0.0030 0.0057 2482 LYS 756 O 0.0052 -0.0028 0.0061 2483 LYS 756 CB 0.0047 -0.0030 0.0039 2484 LYS 756 CG 0.0043 -0.0031 0.0036 2485 LYS 756 CD 0.0044 -0.0031 0.0025 2486 LYS 756 CE 0.0036 -0.0033 0.0020 2487 LYS 756 NZ 0.0034 -0.0034 0.0010 2488 ALA 757 N 0.0038 -0.0032 0.0061 2489 ALA 757 CA 0.0039 -0.0031 0.0069 2490 ALA 757 C 0.0038 -0.0031 0.0079 2491 ALA 757 O 0.0043 -0.0030 0.0087 2492 ALA 757 CB 0.0031 -0.0034 0.0069 2493 ILE 758 N 0.0033 -0.0033 0.0079 2494 ILE 758 CA 0.0032 -0.0033 0.0088 2495 ILE 758 C 0.0042 -0.0030 0.0091 2496 ILE 758 O 0.0045 -0.0029 0.0099 2497 ILE 758 CB 0.0025 -0.0035 0.0087 2498 ILE 758 CG1 0.0014 -0.0038 0.0089 2499 ILE 758 CG2 0.0026 -0.0035 0.0094 2500 ILE 758 CD1 0.0013 -0.0039 0.0099 2501 GLY 759 N 0.0047 -0.0029 0.0084 2502 GLY 759 CA 0.0056 -0.0026 0.0085 2503 GLY 759 C 0.0057 -0.0025 0.0094 2504 GLY 759 O 0.0052 -0.0027 0.0095 2505 PRO 760 N 0.0065 -0.0023 0.0100 2506 PRO 760 CA 0.0067 -0.0022 0.0108 2507 PRO 760 C 0.0059 -0.0024 0.0115 2508 PRO 760 O 0.0059 -0.0024 0.0119 2509 PRO 760 CB 0.0076 -0.0020 0.0113 2510 PRO 760 CG 0.0075 -0.0020 0.0111 2511 PRO 760 CD 0.0071 -0.0022 0.0101 2512 GLN 761 N 0.0053 -0.0026 0.0118 2513 GLN 761 CA 0.0046 -0.0027 0.0125 2514 GLN 761 C 0.0040 -0.0029 0.0124 2515 GLN 761 O 0.0036 -0.0030 0.0131 2516 GLN 761 CB 0.0040 -0.0029 0.0126 2517 GLN 761 CG 0.0044 -0.0028 0.0133 2518 GLN 761 CD 0.0052 -0.0026 0.0129 2519 GLN 761 NE2 0.0056 -0.0024 0.0134 2520 GLN 761 OE1 0.0054 -0.0026 0.0120 2521 LEU 762 N 0.0038 -0.0030 0.0114 2522 LEU 762 CA 0.0032 -0.0032 0.0112 2523 LEU 762 C 0.0039 -0.0030 0.0107 2524 LEU 762 O 0.0036 -0.0031 0.0108 2525 LEU 762 CB 0.0024 -0.0034 0.0104 2526 LEU 762 CG 0.0017 -0.0036 0.0101 2527 LEU 762 CD1 0.0007 -0.0039 0.0101 2528 LEU 762 CD2 0.0020 -0.0036 0.0091 2529 VAL 763 N 0.0046 -0.0028 0.0102 2530 VAL 763 CA 0.0052 -0.0027 0.0099 2531 VAL 763 C 0.0055 -0.0025 0.0107 2532 VAL 763 O 0.0056 -0.0025 0.0106 2533 VAL 763 CB 0.0060 -0.0025 0.0093 2534 VAL 763 CG1 0.0068 -0.0022 0.0092 2535 VAL 763 CG2 0.0057 -0.0026 0.0083 2536 GLN 764 N 0.0058 -0.0024 0.0115 2537 GLN 764 CA 0.0061 -0.0023 0.0123 2538 GLN 764 C 0.0053 -0.0025 0.0128 2539 GLN 764 O 0.0054 -0.0025 0.0131 2540 GLN 764 CB 0.0066 -0.0021 0.0130 2541 GLN 764 CG 0.0070 -0.0020 0.0139 2542 GLN 764 CD 0.0063 -0.0021 0.0147 2543 GLN 764 NE2 0.0066 -0.0020 0.0154 2544 GLN 764 OE1 0.0056 -0.0023 0.0147 2545 LEU 765 N 0.0045 -0.0028 0.0128 2546 LEU 765 CA 0.0037 -0.0030 0.0134 2547 LEU 765 C 0.0033 -0.0031 0.0129 2548 LEU 765 O 0.0031 -0.0031 0.0133 2549 LEU 765 CB 0.0030 -0.0032 0.0136 2550 LEU 765 CG 0.0023 -0.0033 0.0144 2551 LEU 765 CD1 0.0028 -0.0031 0.0153 2552 LEU 765 CD2 0.0017 -0.0035 0.0147 2553 VAL 766 N 0.0032 -0.0031 0.0118 2554 VAL 766 CA 0.0028 -0.0032 0.0113 2555 VAL 766 C 0.0034 -0.0031 0.0106 2556 VAL 766 O 0.0035 -0.0031 0.0106 2557 VAL 766 CB 0.0020 -0.0035 0.0107 2558 VAL 766 CG1 0.0017 -0.0036 0.0099 2559 VAL 766 CG2 0.0011 -0.0037 0.0113 2560 TRP 767 N 0.0039 -0.0030 0.0100 2561 TRP 767 CA 0.0045 -0.0028 0.0093 2562 TRP 767 C 0.0053 -0.0026 0.0098 2563 TRP 767 O 0.0055 -0.0025 0.0095 2564 TRP 767 CB 0.0049 -0.0027 0.0086 2565 TRP 767 CG 0.0055 -0.0026 0.0079 2566 TRP 767 CD1 0.0064 -0.0024 0.0077 2567 TRP 767 CD2 0.0052 -0.0027 0.0072 2568 TRP 767 CE2 0.0060 -0.0025 0.0066 2569 TRP 767 CE3 0.0044 -0.0029 0.0070 2570 TRP 767 NE1 0.0067 -0.0023 0.0070 2571 TRP 767 CZ2 0.0059 -0.0025 0.0059 2572 TRP 767 CZ3 0.0043 -0.0030 0.0062 2573 TRP 767 CH2 0.0051 -0.0028 0.0057 2574 GLN 768 N 0.0057 -0.0025 0.0105 2575 GLN 768 CA 0.0065 -0.0022 0.0109 2576 GLN 768 C 0.0063 -0.0023 0.0115 2577 GLN 768 O 0.0069 -0.0021 0.0118 2578 GLN 768 CB 0.0070 -0.0021 0.0116 2579 GLN 768 CG 0.0076 -0.0019 0.0111 2580 GLN 768 CD 0.0081 -0.0018 0.0118 2581 GLN 768 NE2 0.0083 -0.0017 0.0115 2582 GLN 768 OE1 0.0084 -0.0017 0.0125 2583 LYS 769 N 0.0053 -0.0025 0.0116 2584 LYS 769 CA 0.0050 -0.0026 0.0121 2585 LYS 769 C 0.0049 -0.0026 0.0113 2586 LYS 769 O 0.0051 -0.0026 0.0115 2587 LYS 769 CB 0.0042 -0.0028 0.0127 2588 LYS 769 CG 0.0035 -0.0030 0.0127 2589 LYS 769 CD 0.0026 -0.0032 0.0130 2590 LYS 769 CE 0.0019 -0.0034 0.0133 2591 LYS 769 NZ 0.0018 -0.0034 0.0124 2592 LEU 770 N 0.0044 -0.0028 0.0105 2593 LEU 770 CA 0.0043 -0.0028 0.0098 2594 LEU 770 C 0.0051 -0.0026 0.0092 2595 LEU 770 O 0.0049 -0.0027 0.0084 2596 LEU 770 CB 0.0034 -0.0030 0.0093 2597 LEU 770 CG 0.0026 -0.0033 0.0099 2598 LEU 770 CD1 0.0018 -0.0035 0.0095 2599 LEU 770 CD2 0.0023 -0.0033 0.0100 2600 ILE 771 N 0.0059 -0.0024 0.0094 2601 ILE 771 CA 0.0066 -0.0022 0.0087 2602 ILE 771 C 0.0070 -0.0021 0.0085 2603 ILE 771 O 0.0072 -0.0021 0.0077 2604 ILE 771 CB 0.0074 -0.0020 0.0090 2605 ILE 771 CG1 0.0079 -0.0019 0.0082 2606 ILE 771 CG2 0.0080 -0.0018 0.0097 2607 ILE 771 CD1 0.0089 -0.0016 0.0082 2608 ASP 772 N 0.0070 -0.0020 0.0092 2609 ASP 772 CA 0.0075 -0.0019 0.0090 2610 ASP 772 C 0.0068 -0.0021 0.0089 2611 ASP 772 O 0.0072 -0.0020 0.0090 2612 ASP 772 CB 0.0082 -0.0017 0.0098 2613 ASP 772 CG 0.0080 -0.0017 0.0108 2614 ASP 772 OD1 0.0085 -0.0016 0.0112 2615 ASP 772 OD2 0.0072 -0.0019 0.0111 2616 THR 773 N 0.0060 -0.0023 0.0088 2617 THR 773 CA 0.0053 -0.0025 0.0088 2618 THR 773 C 0.0056 -0.0024 0.0080 2619 THR 773 O 0.0055 -0.0025 0.0083 2620 THR 773 CB 0.0043 -0.0028 0.0087 2621 THR 773 CG2 0.0042 -0.0028 0.0079 2622 THR 773 OG1 0.0038 -0.0029 0.0084 2623 ALA 774 N 0.0059 -0.0024 0.0072 2624 ALA 774 CA 0.0062 -0.0023 0.0064 2625 ALA 774 C 0.0054 -0.0025 0.0058 2626 ALA 774 O 0.0056 -0.0025 0.0051 2627 ALA 774 CB 0.0068 -0.0021 0.0068 2628 ALA 775 N 0.0045 -0.0026 0.0061 2629 ALA 775 CA 0.0037 -0.0028 0.0055 2630 ALA 775 C 0.0030 -0.0031 0.0058 2631 ALA 775 O 0.0030 -0.0030 0.0066 2632 ALA 775 CB 0.0034 -0.0029 0.0057 2633 LEU 776 N 0.0025 -0.0032 0.0051 2634 LEU 776 CA 0.0018 -0.0034 0.0054 2635 LEU 776 C 0.0010 -0.0037 0.0048 2636 LEU 776 O 0.0010 -0.0037 0.0041 2637 LEU 776 CB 0.0023 -0.0033 0.0051 2638 LEU 776 CG 0.0022 -0.0033 0.0059 2639 LEU 776 CD1 0.0030 -0.0030 0.0059 2640 LEU 776 CD2 0.0014 -0.0036 0.0057 2641 VAL 777 N 0.0002 -0.0039 0.0052 2642 VAL 777 CA -0.0006 -0.0042 0.0047 2643 VAL 777 C -0.0011 -0.0044 0.0048 2644 VAL 777 O -0.0017 -0.0045 0.0054 2645 VAL 777 CB -0.0012 -0.0044 0.0052 2646 VAL 777 CG1 -0.0009 -0.0043 0.0047 2647 VAL 777 CG2 -0.0011 -0.0043 0.0062 2648 VAL 778 N -0.0008 -0.0043 0.0041 2649 VAL 778 CA -0.0012 -0.0044 0.0042 2650 VAL 778 C -0.0022 -0.0048 0.0042 2651 VAL 778 O -0.0025 -0.0049 0.0035 2652 VAL 778 CB -0.0008 -0.0043 0.0034 2653 VAL 778 CG1 -0.0009 -0.0044 0.0036 2654 VAL 778 CG2 0.0002 -0.0040 0.0031 2655 ASP 779 N -0.0026 -0.0049 0.0049 2656 ASP 779 CA -0.0036 -0.0052 0.0049 2657 ASP 779 C -0.0040 -0.0054 0.0044 2658 ASP 779 O -0.0041 -0.0054 0.0048 2659 ASP 779 CB -0.0040 -0.0053 0.0059 2660 ASP 779 CG -0.0048 -0.0056 0.0060 2661 ASP 779 OD1 -0.0051 -0.0057 0.0053 2662 ASP 779 OD2 -0.0052 -0.0057 0.0068 2663 LEU 780 N -0.0042 -0.0055 0.0035 2664 LEU 780 CA -0.0046 -0.0056 0.0029 2665 LEU 780 C -0.0056 -0.0059 0.0028 2666 LEU 780 O -0.0060 -0.0061 0.0022 2667 LEU 780 CB -0.0041 -0.0055 0.0020 2668 LEU 780 CG -0.0032 -0.0052 0.0020 2669 LEU 780 CD1 -0.0028 -0.0051 0.0010 2670 LEU 780 CD2 -0.0031 -0.0051 0.0025 2671 ARG 781 N -0.0059 -0.0060 0.0034 2672 ARG 781 CA -0.0069 -0.0064 0.0033 2673 ARG 781 C -0.0074 -0.0065 0.0036 2674 ARG 781 O -0.0081 -0.0068 0.0032 2675 ARG 781 CB -0.0071 -0.0064 0.0039 2676 ARG 781 CG -0.0068 -0.0064 0.0035 2677 ARG 781 CD -0.0073 -0.0065 0.0040 2678 ARG 781 NE -0.0072 -0.0065 0.0051 2679 ARG 781 CZ -0.0066 -0.0062 0.0056 2680 ARG 781 NH1 -0.0059 -0.0060 0.0053 2681 ARG 781 NH2 -0.0066 -0.0062 0.0066 2682 TYR 782 N -0.0071 -0.0064 0.0044 2683 TYR 782 CA -0.0075 -0.0065 0.0047 2684 TYR 782 C -0.0068 -0.0063 0.0045 2685 TYR 782 O -0.0063 -0.0061 0.0051 2686 TYR 782 CB -0.0077 -0.0066 0.0058 2687 TYR 782 CG -0.0081 -0.0067 0.0061 2688 TYR 782 CD1 -0.0089 -0.0070 0.0057 2689 TYR 782 CD2 -0.0077 -0.0066 0.0068 2690 TYR 782 CE1 -0.0094 -0.0072 0.0060 2691 TYR 782 CE2 -0.0081 -0.0067 0.0070 2692 TYR 782 CZ -0.0089 -0.0070 0.0066 2693 TYR 782 OH -0.0094 -0.0071 0.0069 2694 ASN 783 N -0.0069 -0.0064 0.0037 2695 ASN 783 CA -0.0064 -0.0062 0.0034 2696 ASN 783 C -0.0069 -0.0064 0.0026 2697 ASN 783 O -0.0068 -0.0064 0.0017 2698 ASN 783 CB -0.0055 -0.0059 0.0030 2699 ASN 783 CG -0.0048 -0.0057 0.0029 2700 ASN 783 ND2 -0.0039 -0.0054 0.0029 2701 ASN 783 OD1 -0.0051 -0.0058 0.0028 2702 PRO 784 N -0.0075 -0.0065 0.0030 2703 PRO 784 CA -0.0081 -0.0067 0.0023 2704 PRO 784 C -0.0075 -0.0065 0.0018 2705 PRO 784 O -0.0079 -0.0066 0.0011 2706 PRO 784 CB -0.0089 -0.0070 0.0029 2707 PRO 784 CG -0.0089 -0.0071 0.0039 2708 PRO 784 CD -0.0079 -0.0067 0.0041 2709 GLY 785 N -0.0066 -0.0062 0.0021 2710 GLY 785 CA -0.0060 -0.0060 0.0017 2711 GLY 785 C -0.0059 -0.0059 0.0005 2712 GLY 785 O -0.0056 -0.0058 0.0001 2713 SER 786 N -0.0061 -0.0060 -0.0000 2714 SER 786 CA -0.0062 -0.0060 -0.0012 2715 SER 786 C -0.0056 -0.0058 -0.0016 2716 SER 786 O -0.0059 -0.0059 -0.0023 2717 SER 786 CB -0.0072 -0.0063 -0.0015 2718 SER 786 OG -0.0077 -0.0065 -0.0011 2719 TYR 787 N -0.0048 -0.0056 -0.0010 2720 TYR 787 CA -0.0042 -0.0055 -0.0013 2721 TYR 787 C -0.0033 -0.0053 -0.0017 2722 TYR 787 O -0.0026 -0.0051 -0.0011 2723 TYR 787 CB -0.0041 -0.0055 -0.0004 2724 TYR 787 CG -0.0049 -0.0057 -0.0001 2725 TYR 787 CD1 -0.0057 -0.0059 0.0003 2726 TYR 787 CD2 -0.0049 -0.0057 -0.0003 2727 TYR 787 CE1 -0.0065 -0.0061 0.0005 2728 TYR 787 CE2 -0.0057 -0.0059 -0.0001 2729 TYR 787 CZ -0.0065 -0.0061 0.0003 2730 TYR 787 OH -0.0072 -0.0062 0.0006 2731 SER 788 N -0.0033 -0.0052 -0.0026 2732 SER 788 CA -0.0024 -0.0050 -0.0031 2733 SER 788 C -0.0018 -0.0048 -0.0032 2734 SER 788 O -0.0016 -0.0047 -0.0039 2735 SER 788 CB -0.0026 -0.0050 -0.0040 2736 SER 788 OG -0.0018 -0.0048 -0.0046 2737 THR 789 N -0.0015 -0.0048 -0.0024 2738 THR 789 CA -0.0010 -0.0047 -0.0023 2739 THR 789 C 0.0001 -0.0045 -0.0020 2740 THR 789 O 0.0007 -0.0043 -0.0024 2741 THR 789 CB -0.0014 -0.0049 -0.0016 2742 THR 789 CG2 -0.0024 -0.0050 -0.0019 2743 THR 789 OG1 -0.0015 -0.0049 -0.0007 2744 ALA 790 N 0.0001 -0.0044 -0.0009 2745 ALA 790 CA 0.0009 -0.0041 -0.0006 2746 ALA 790 C 0.0009 -0.0041 -0.0005 2747 ALA 790 O 0.0014 -0.0039 -0.0000 2748 ALA 790 CB 0.0010 -0.0040 0.0003 2749 VAL 791 N 0.0004 -0.0043 -0.0011 2750 VAL 791 CA 0.0005 -0.0043 -0.0011 2751 VAL 791 C 0.0013 -0.0040 -0.0013 2752 VAL 791 O 0.0016 -0.0039 -0.0009 2753 VAL 791 CB -0.0003 -0.0045 -0.0016 2754 VAL 791 CG1 -0.0001 -0.0045 -0.0019 2755 VAL 791 CG2 -0.0011 -0.0047 -0.0012 2756 PRO 792 N 0.0018 -0.0039 -0.0020 2757 PRO 792 CA 0.0026 -0.0037 -0.0022 2758 PRO 792 C 0.0032 -0.0035 -0.0015 2759 PRO 792 O 0.0038 -0.0033 -0.0015 2760 PRO 792 CB 0.0029 -0.0037 -0.0031 2761 PRO 792 CG 0.0023 -0.0038 -0.0031 2762 PRO 792 CD 0.0015 -0.0040 -0.0027 2763 LEU 793 N 0.0034 -0.0034 -0.0007 2764 LEU 793 CA 0.0040 -0.0032 0.0001 2765 LEU 793 C 0.0040 -0.0032 0.0007 2766 LEU 793 O 0.0047 -0.0030 0.0010 2767 LEU 793 CB 0.0038 -0.0033 0.0007 2768 LEU 793 CG 0.0043 -0.0031 0.0016 2769 LEU 793 CD1 0.0053 -0.0028 0.0015 2770 LEU 793 CD2 0.0042 -0.0031 0.0019 2771 LEU 794 N 0.0031 -0.0034 0.0009 2772 LEU 794 CA 0.0030 -0.0034 0.0014 2773 LEU 794 C 0.0034 -0.0034 0.0008 2774 LEU 794 O 0.0038 -0.0032 0.0012 2775 LEU 794 CB 0.0020 -0.0037 0.0017 2776 LEU 794 CG 0.0015 -0.0038 0.0023 2777 LEU 794 CD1 0.0006 -0.0040 0.0026 2778 LEU 794 CD2 0.0021 -0.0036 0.0032 2779 CYS 795 N 0.0032 -0.0034 -0.0001 2780 CYS 795 CA 0.0036 -0.0034 -0.0007 2781 CYS 795 C 0.0046 -0.0031 -0.0007 2782 CYS 795 O 0.0050 -0.0030 -0.0008 2783 CYS 795 CB 0.0032 -0.0035 -0.0017 2784 CYS 795 SG 0.0020 -0.0039 -0.0018 2785 SER 796 N 0.0051 -0.0028 -0.0004 2786 SER 796 CA 0.0061 -0.0026 -0.0005 2787 SER 796 C 0.0066 -0.0025 0.0003 2788 SER 796 O 0.0074 -0.0023 0.0002 2789 SER 796 CB 0.0065 -0.0025 -0.0005 2790 SER 796 OG 0.0074 -0.0023 -0.0002 2791 TYR 797 N 0.0061 -0.0026 0.0010 2792 TYR 797 CA 0.0065 -0.0025 0.0018 2793 TYR 797 C 0.0067 -0.0024 0.0015 2794 TYR 797 O 0.0075 -0.0022 0.0018 2795 TYR 797 CB 0.0058 -0.0026 0.0027 2796 TYR 797 CG 0.0059 -0.0025 0.0033 2797 TYR 797 CD1 0.0054 -0.0027 0.0032 2798 TYR 797 CD2 0.0065 -0.0024 0.0041 2799 TYR 797 CE1 0.0055 -0.0026 0.0038 2800 TYR 797 CE2 0.0066 -0.0023 0.0047 2801 TYR 797 CZ 0.0061 -0.0025 0.0046 2802 TYR 797 OH 0.0062 -0.0024 0.0052 2803 PHE 798 N 0.0061 -0.0026 0.0009 2804 PHE 798 CA 0.0063 -0.0025 0.0007 2805 PHE 798 C 0.0070 -0.0024 0.0000 2806 PHE 798 O 0.0075 -0.0022 0.0001 2807 PHE 798 CB 0.0053 -0.0028 0.0004 2808 PHE 798 CG 0.0046 -0.0029 0.0012 2809 PHE 798 CD1 0.0048 -0.0029 0.0021 2810 PHE 798 CD2 0.0038 -0.0031 0.0011 2811 PHE 798 CE1 0.0041 -0.0030 0.0028 2812 PHE 798 CE2 0.0031 -0.0033 0.0018 2813 PHE 798 CZ 0.0033 -0.0032 0.0026 2814 PHE 799 N 0.0070 -0.0024 -0.0006 2815 PHE 799 CA 0.0077 -0.0023 -0.0014 2816 PHE 799 C 0.0087 -0.0021 -0.0011 2817 PHE 799 O 0.0088 -0.0020 -0.0003 2818 PHE 799 CB 0.0074 -0.0024 -0.0023 2819 PHE 799 CG 0.0066 -0.0026 -0.0027 2820 PHE 799 CD1 0.0057 -0.0028 -0.0024 2821 PHE 799 CD2 0.0066 -0.0027 -0.0034 2822 PHE 799 CE1 0.0049 -0.0030 -0.0028 2823 PHE 799 CE2 0.0058 -0.0029 -0.0038 2824 PHE 799 CZ 0.0049 -0.0031 -0.0035 2825 GLU 800 N 0.0094 -0.0019 -0.0016 2826 GLU 800 CA 0.0104 -0.0017 -0.0013 2827 GLU 800 C 0.0106 -0.0017 -0.0014 2828 GLU 800 O 0.0103 -0.0018 -0.0021 2829 GLU 800 CB 0.0110 -0.0016 -0.0019 2830 GLU 800 CG 0.0120 -0.0013 -0.0015 2831 GLU 800 CD 0.0120 -0.0013 -0.0004 2832 GLU 800 OE1 0.0117 -0.0013 -0.0001 2833 GLU 800 OE2 0.0123 -0.0012 0.0001 2834 ALA 801 N 0.0110 -0.0015 -0.0007 2835 ALA 801 CA 0.0112 -0.0015 -0.0007 2836 ALA 801 C 0.0119 -0.0013 -0.0015 2837 ALA 801 O 0.0118 -0.0014 -0.0019 2838 ALA 801 CB 0.0116 -0.0013 0.0002 2839 GLU 802 N 0.0126 -0.0014 -0.0015 2840 GLU 802 CA 0.0133 -0.0012 -0.0022 2841 GLU 802 C 0.0130 -0.0014 -0.0032 2842 GLU 802 O 0.0132 -0.0013 -0.0036 2843 GLU 802 CB 0.0141 -0.0010 -0.0022 2844 GLU 802 CG 0.0148 -0.0009 -0.0029 2845 GLU 802 CD 0.0148 -0.0009 -0.0037 2846 GLU 802 OE1 0.0148 -0.0010 -0.0045 2847 GLU 802 OE2 0.0147 -0.0009 -0.0035 2848 PRO 803 N 0.0124 -0.0015 -0.0037 2849 PRO 803 CA 0.0121 -0.0016 -0.0046 2850 PRO 803 C 0.0111 -0.0019 -0.0045 2851 PRO 803 O 0.0106 -0.0020 -0.0040 2852 PRO 803 CB 0.0119 -0.0017 -0.0050 2853 PRO 803 CG 0.0122 -0.0016 -0.0043 2854 PRO 803 CD 0.0122 -0.0016 -0.0034 2855 ARG 804 N 0.0110 -0.0019 -0.0050 2856 ARG 804 CA 0.0101 -0.0021 -0.0050 2857 ARG 804 C 0.0094 -0.0023 -0.0055 2858 ARG 804 O 0.0097 -0.0023 -0.0063 2859 ARG 804 CB 0.0101 -0.0021 -0.0054 2860 ARG 804 CG 0.0109 -0.0020 -0.0061 2861 ARG 804 CD 0.0106 -0.0021 -0.0069 2862 ARG 804 NE 0.0101 -0.0022 -0.0066 2863 ARG 804 CZ 0.0099 -0.0023 -0.0072 2864 ARG 804 NH1 0.0100 -0.0023 -0.0081 2865 ARG 804 NH2 0.0094 -0.0024 -0.0069 2866 GLN 805 N 0.0085 -0.0026 -0.0052 2867 GLN 805 CA 0.0079 -0.0027 -0.0058 2868 GLN 805 C 0.0071 -0.0029 -0.0061 2869 GLN 805 O 0.0067 -0.0030 -0.0056 2870 GLN 805 CB 0.0077 -0.0028 -0.0053 2871 GLN 805 CG 0.0069 -0.0030 -0.0057 2872 GLN 805 CD 0.0072 -0.0029 -0.0065 2873 GLN 805 NE2 0.0077 -0.0028 -0.0063 2874 GLN 805 OE1 0.0068 -0.0030 -0.0073 2875 HIS 806 N 0.0068 -0.0030 -0.0070 2876 HIS 806 CA 0.0060 -0.0032 -0.0074 2877 HIS 806 C 0.0051 -0.0034 -0.0071 2878 HIS 806 O 0.0048 -0.0035 -0.0076 2879 HIS 806 CB 0.0061 -0.0032 -0.0085 2880 HIS 806 CG 0.0055 -0.0033 -0.0089 2881 HIS 806 CD2 0.0054 -0.0033 -0.0088 2882 HIS 806 ND1 0.0049 -0.0035 -0.0097 2883 HIS 806 CE1 0.0045 -0.0036 -0.0100 2884 HIS 806 NE2 0.0048 -0.0035 -0.0094 2885 LEU 807 N 0.0048 -0.0035 -0.0063 2886 LEU 807 CA 0.0039 -0.0036 -0.0060 2887 LEU 807 C 0.0032 -0.0038 -0.0067 2888 LEU 807 O 0.0028 -0.0039 -0.0069 2889 LEU 807 CB 0.0037 -0.0037 -0.0050 2890 LEU 807 CG 0.0044 -0.0035 -0.0043 2891 LEU 807 CD1 0.0044 -0.0035 -0.0037 2892 LEU 807 CD2 0.0044 -0.0035 -0.0037 2893 TYR 808 N 0.0026 -0.0042 -0.0071 2894 TYR 808 CA 0.0019 -0.0043 -0.0077 2895 TYR 808 C 0.0018 -0.0042 -0.0080 2896 TYR 808 O 0.0023 -0.0042 -0.0077 2897 TYR 808 CB 0.0010 -0.0044 -0.0072 2898 TYR 808 CG 0.0007 -0.0045 -0.0065 2899 TYR 808 CD1 0.0001 -0.0046 -0.0068 2900 TYR 808 CD2 0.0009 -0.0046 -0.0057 2901 TYR 808 CE1 -0.0003 -0.0047 -0.0062 2902 TYR 808 CE2 0.0006 -0.0047 -0.0050 2903 TYR 808 CZ -0.0000 -0.0047 -0.0053 2904 TYR 808 OH -0.0003 -0.0048 -0.0047 2905 SER 809 N 0.0013 -0.0043 -0.0087 2906 SER 809 CA 0.0013 -0.0043 -0.0091 2907 SER 809 C 0.0003 -0.0044 -0.0092 2908 SER 809 O -0.0002 -0.0045 -0.0092 2909 SER 809 CB 0.0016 -0.0041 -0.0101 2910 SER 809 OG 0.0020 -0.0041 -0.0103 2911 VAL 810 N 0.0001 -0.0045 -0.0091 2912 VAL 810 CA -0.0008 -0.0046 -0.0091 2913 VAL 810 C -0.0009 -0.0046 -0.0098 2914 VAL 810 O -0.0003 -0.0045 -0.0101 2915 VAL 810 CB -0.0010 -0.0047 -0.0082 2916 VAL 810 CG1 -0.0016 -0.0048 -0.0076 2917 VAL 810 CG2 -0.0002 -0.0046 -0.0077 2918 PHE 811 N -0.0030 -0.0052 -0.0094 2919 PHE 811 CA -0.0030 -0.0053 -0.0096 2920 PHE 811 C -0.0032 -0.0052 -0.0094 2921 PHE 811 O -0.0035 -0.0052 -0.0093 2922 PHE 811 CB -0.0032 -0.0053 -0.0099 2923 PHE 811 CG -0.0033 -0.0054 -0.0101 2924 PHE 811 CD1 -0.0030 -0.0054 -0.0102 2925 PHE 811 CD2 -0.0036 -0.0054 -0.0102 2926 PHE 811 CE1 -0.0030 -0.0055 -0.0104 2927 PHE 811 CE2 -0.0037 -0.0054 -0.0104 2928 PHE 811 CZ -0.0034 -0.0055 -0.0105 2929 ASP 812 N -0.0030 -0.0052 -0.0093 2930 ASP 812 CA -0.0032 -0.0052 -0.0090 2931 ASP 812 C -0.0033 -0.0052 -0.0093 2932 ASP 812 O -0.0031 -0.0052 -0.0093 2933 ASP 812 CB -0.0030 -0.0051 -0.0088 2934 ASP 812 CG -0.0032 -0.0050 -0.0085 2935 ASP 812 OD1 -0.0035 -0.0050 -0.0084 2936 ASP 812 OD2 -0.0030 -0.0050 -0.0084 2937 ARG 813 N -0.0037 -0.0052 -0.0093 2938 ARG 813 CA -0.0038 -0.0053 -0.0096 2939 ARG 813 C -0.0036 -0.0052 -0.0094 2940 ARG 813 O -0.0035 -0.0053 -0.0096 2941 ARG 813 CB -0.0042 -0.0053 -0.0096 2942 ARG 813 CG -0.0043 -0.0053 -0.0098 2943 ARG 813 CD -0.0042 -0.0054 -0.0102 2944 ARG 813 NE -0.0043 -0.0054 -0.0103 2945 ARG 813 CZ -0.0046 -0.0055 -0.0106 2946 ARG 813 NH1 -0.0048 -0.0055 -0.0106 2947 ARG 813 NH2 -0.0046 -0.0055 -0.0107 2948 ALA 814 N -0.0040 -0.0053 -0.0091 2949 ALA 814 CA -0.0040 -0.0053 -0.0090 2950 ALA 814 C -0.0034 -0.0052 -0.0092 2951 ALA 814 O -0.0034 -0.0051 -0.0095 2952 ALA 814 CB -0.0041 -0.0054 -0.0083 2953 THR 815 N -0.0028 -0.0051 -0.0091 2954 THR 815 CA -0.0022 -0.0050 -0.0093 2955 THR 815 C -0.0022 -0.0049 -0.0100 2956 THR 815 O -0.0018 -0.0048 -0.0103 2957 THR 815 CB -0.0017 -0.0050 -0.0089 2958 THR 815 CG2 -0.0011 -0.0048 -0.0090 2959 THR 815 OG1 -0.0018 -0.0051 -0.0083 2960 SER 816 N -0.0025 -0.0049 -0.0102 2961 SER 816 CA -0.0025 -0.0048 -0.0109 2962 SER 816 C -0.0019 -0.0047 -0.0111 2963 SER 816 O -0.0017 -0.0046 -0.0117 2964 SER 816 CB -0.0028 -0.0048 -0.0113 2965 SER 816 OG -0.0034 -0.0049 -0.0112 2966 ARG 817 N -0.0012 -0.0043 -0.0110 2967 ARG 817 CA -0.0006 -0.0043 -0.0113 2968 ARG 817 C -0.0004 -0.0043 -0.0108 2969 ARG 817 O -0.0006 -0.0044 -0.0103 2970 ARG 817 CB 0.0000 -0.0043 -0.0112 2971 ARG 817 CG 0.0001 -0.0043 -0.0106 2972 ARG 817 CD 0.0006 -0.0043 -0.0106 2973 ARG 817 NE 0.0008 -0.0044 -0.0099 2974 ARG 817 CZ 0.0014 -0.0044 -0.0096 2975 ARG 817 NH1 0.0019 -0.0044 -0.0099 2976 ARG 817 NH2 0.0016 -0.0045 -0.0089 2977 VAL 818 N 0.0000 -0.0043 -0.0111 2978 VAL 818 CA 0.0002 -0.0043 -0.0108 2979 VAL 818 C 0.0008 -0.0044 -0.0102 2980 VAL 818 O 0.0013 -0.0044 -0.0103 2981 VAL 818 CB 0.0005 -0.0042 -0.0114 2982 VAL 818 CG1 0.0007 -0.0043 -0.0110 2983 VAL 818 CG2 -0.0000 -0.0042 -0.0120 2984 MET 819 N 0.0006 -0.0044 -0.0096 2985 MET 819 CA 0.0011 -0.0045 -0.0090 2986 MET 819 C 0.0015 -0.0045 -0.0090 2987 MET 819 O 0.0013 -0.0045 -0.0093 2988 MET 819 CB 0.0007 -0.0046 -0.0084 2989 MET 819 CG 0.0004 -0.0046 -0.0083 2990 MET 819 SD 0.0010 -0.0046 -0.0083 2991 MET 819 CE 0.0008 -0.0045 -0.0092 2992 GLU 820 N 0.0033 -0.0038 -0.0090 2993 GLU 820 CA 0.0038 -0.0038 -0.0087 2994 GLU 820 C 0.0039 -0.0037 -0.0076 2995 GLU 820 O 0.0041 -0.0037 -0.0072 2996 GLU 820 CB 0.0048 -0.0036 -0.0091 2997 GLU 820 CG 0.0047 -0.0036 -0.0102 2998 GLU 820 CD 0.0057 -0.0034 -0.0106 2999 GLU 820 OE1 0.0063 -0.0032 -0.0101 3000 GLU 820 OE2 0.0057 -0.0033 -0.0115 3001 VAL 821 N 0.0038 -0.0038 -0.0072 3002 VAL 821 CA 0.0039 -0.0038 -0.0062 3003 VAL 821 C 0.0047 -0.0036 -0.0060 3004 VAL 821 O 0.0048 -0.0036 -0.0064 3005 VAL 821 CB 0.0030 -0.0040 -0.0058 3006 VAL 821 CG1 0.0030 -0.0040 -0.0048 3007 VAL 821 CG2 0.0022 -0.0041 -0.0061 3008 TRP 822 N 0.0052 -0.0035 -0.0053 3009 TRP 822 CA 0.0060 -0.0034 -0.0051 3010 TRP 822 C 0.0061 -0.0034 -0.0040 3011 TRP 822 O 0.0056 -0.0035 -0.0035 3012 TRP 822 CB 0.0069 -0.0032 -0.0053 3013 TRP 822 CG 0.0070 -0.0032 -0.0063 3014 TRP 822 CD1 0.0067 -0.0032 -0.0068 3015 TRP 822 CD2 0.0073 -0.0031 -0.0070 3016 TRP 822 CE2 0.0073 -0.0031 -0.0079 3017 TRP 822 CE3 0.0077 -0.0030 -0.0070 3018 TRP 822 NE1 0.0069 -0.0032 -0.0078 3019 TRP 822 CZ2 0.0076 -0.0030 -0.0087 3020 TRP 822 CZ3 0.0080 -0.0029 -0.0078 3021 TRP 822 CH2 0.0079 -0.0029 -0.0087 3022 THR 823 N 0.0068 -0.0029 -0.0040 3023 THR 823 CA 0.0069 -0.0028 -0.0029 3024 THR 823 C 0.0076 -0.0025 -0.0025 3025 THR 823 O 0.0083 -0.0024 -0.0030 3026 THR 823 CB 0.0073 -0.0026 -0.0028 3027 THR 823 CG2 0.0067 -0.0028 -0.0031 3028 THR 823 OG1 0.0082 -0.0024 -0.0032 3029 VAL 824 N 0.0074 -0.0025 -0.0016 3030 VAL 824 CA 0.0081 -0.0023 -0.0012 3031 VAL 824 C 0.0090 -0.0021 -0.0011 3032 VAL 824 O 0.0089 -0.0021 -0.0007 3033 VAL 824 CB 0.0077 -0.0023 -0.0002 3034 VAL 824 CG1 0.0083 -0.0021 0.0003 3035 VAL 824 CG2 0.0067 -0.0026 -0.0003 3036 PRO 825 N 0.0098 -0.0019 -0.0013 3037 PRO 825 CA 0.0107 -0.0016 -0.0013 3038 PRO 825 C 0.0108 -0.0015 -0.0002 3039 PRO 825 O 0.0110 -0.0014 -0.0001 3040 PRO 825 CB 0.0114 -0.0014 -0.0016 3041 PRO 825 CG 0.0109 -0.0016 -0.0022 3042 PRO 825 CD 0.0100 -0.0018 -0.0017 3043 GLN 826 N 0.0108 -0.0015 0.0004 3044 GLN 826 CA 0.0108 -0.0014 0.0014 3045 GLN 826 C 0.0101 -0.0016 0.0019 3046 GLN 826 O 0.0101 -0.0016 0.0020 3047 GLN 826 CB 0.0118 -0.0012 0.0018 3048 GLN 826 CG 0.0123 -0.0010 0.0022 3049 GLN 826 CD 0.0117 -0.0011 0.0029 3050 GLN 826 NE2 0.0116 -0.0011 0.0037 3051 GLN 826 OE1 0.0114 -0.0012 0.0028 3052 VAL 827 N 0.0094 -0.0017 0.0023 3053 VAL 827 CA 0.0087 -0.0019 0.0029 3054 VAL 827 C 0.0089 -0.0018 0.0040 3055 VAL 827 O 0.0089 -0.0018 0.0046 3056 VAL 827 CB 0.0077 -0.0022 0.0027 3057 VAL 827 CG1 0.0077 -0.0022 0.0024 3058 VAL 827 CG2 0.0070 -0.0023 0.0035 3059 ALA 828 N 0.0092 -0.0018 0.0042 3060 ALA 828 CA 0.0094 -0.0017 0.0051 3061 ALA 828 C 0.0101 -0.0015 0.0050 3062 ALA 828 O 0.0100 -0.0015 0.0043 3063 ALA 828 CB 0.0086 -0.0019 0.0057 3064 GLY 829 N 0.0107 -0.0013 0.0058 3065 GLY 829 CA 0.0113 -0.0011 0.0058 3066 GLY 829 C 0.0108 -0.0013 0.0059 3067 GLY 829 O 0.0111 -0.0012 0.0054 3068 GLN 830 N 0.0100 -0.0015 0.0064 3069 GLN 830 CA 0.0095 -0.0016 0.0065 3070 GLN 830 C 0.0089 -0.0018 0.0056 3071 GLN 830 O 0.0082 -0.0020 0.0055 3072 GLN 830 CB 0.0088 -0.0017 0.0074 3073 GLN 830 CG 0.0088 -0.0017 0.0078 3074 GLN 830 CD 0.0090 -0.0017 0.0089 3075 GLN 830 NE2 0.0092 -0.0016 0.0093 3076 GLN 830 OE1 0.0089 -0.0017 0.0094 3077 ARG 831 N 0.0092 -0.0017 0.0050 3078 ARG 831 CA 0.0087 -0.0019 0.0041 3079 ARG 831 C 0.0084 -0.0019 0.0042 3080 ARG 831 O 0.0091 -0.0018 0.0045 3081 ARG 831 CB 0.0093 -0.0017 0.0032 3082 ARG 831 CG 0.0093 -0.0017 0.0031 3083 ARG 831 CD 0.0100 -0.0016 0.0024 3084 ARG 831 NE 0.0096 -0.0017 0.0014 3085 ARG 831 CZ 0.0094 -0.0018 0.0011 3086 ARG 831 NH1 0.0097 -0.0017 0.0016 3087 ARG 831 NH2 0.0090 -0.0019 0.0003 3088 TYR 832 N 0.0076 -0.0020 0.0040 3089 TYR 832 CA 0.0074 -0.0021 0.0042 3090 TYR 832 C 0.0080 -0.0020 0.0036 3091 TYR 832 O 0.0079 -0.0020 0.0038 3092 TYR 832 CB 0.0063 -0.0024 0.0040 3093 TYR 832 CG 0.0060 -0.0024 0.0044 3094 TYR 832 CD1 0.0063 -0.0023 0.0053 3095 TYR 832 CD2 0.0053 -0.0026 0.0040 3096 TYR 832 CE1 0.0060 -0.0024 0.0057 3097 TYR 832 CE2 0.0050 -0.0027 0.0044 3098 TYR 832 CZ 0.0053 -0.0026 0.0052 3099 TYR 832 OH 0.0050 -0.0026 0.0056 3100 GLY 833 N 0.0086 -0.0018 0.0029 3101 GLY 833 CA 0.0092 -0.0017 0.0024 3102 GLY 833 C 0.0088 -0.0018 0.0016 3103 GLY 833 O 0.0080 -0.0020 0.0018 3104 PRO 834 N 0.0092 -0.0017 0.0008 3105 PRO 834 CA 0.0088 -0.0019 -0.0001 3106 PRO 834 C 0.0086 -0.0019 0.0001 3107 PRO 834 O 0.0079 -0.0021 -0.0003 3108 PRO 834 CB 0.0095 -0.0017 -0.0009 3109 PRO 834 CG 0.0104 -0.0015 -0.0004 3110 PRO 834 CD 0.0101 -0.0015 0.0005 3111 GLN 835 N 0.0091 -0.0016 0.0007 3112 GLN 835 CA 0.0091 -0.0016 0.0008 3113 GLN 835 C 0.0082 -0.0018 0.0013 3114 GLN 835 O 0.0077 -0.0018 0.0010 3115 GLN 835 CB 0.0100 -0.0014 0.0013 3116 GLN 835 CG 0.0102 -0.0014 0.0022 3117 GLN 835 CD 0.0109 -0.0012 0.0021 3118 GLN 835 NE2 0.0108 -0.0013 0.0027 3119 GLN 835 OE1 0.0115 -0.0011 0.0015 3120 LYS 836 N 0.0079 -0.0018 0.0021 3121 LYS 836 CA 0.0070 -0.0020 0.0027 3122 LYS 836 C 0.0061 -0.0022 0.0021 3123 LYS 836 O 0.0061 -0.0022 0.0015 3124 LYS 836 CB 0.0070 -0.0020 0.0036 3125 LYS 836 CG 0.0080 -0.0019 0.0041 3126 LYS 836 CD 0.0081 -0.0019 0.0051 3127 LYS 836 CE 0.0083 -0.0018 0.0058 3128 LYS 836 NZ 0.0088 -0.0017 0.0054 3129 ASP 837 N 0.0055 -0.0023 0.0022 3130 ASP 837 CA 0.0046 -0.0025 0.0016 3131 ASP 837 C 0.0038 -0.0026 0.0020 3132 ASP 837 O 0.0040 -0.0026 0.0029 3133 ASP 837 CB 0.0042 -0.0026 0.0015 3134 ASP 837 CG 0.0044 -0.0025 0.0005 3135 ASP 837 OD1 0.0052 -0.0023 0.0003 3136 ASP 837 OD2 0.0037 -0.0026 0.0000 3137 LEU 838 N 0.0032 -0.0030 0.0015 3138 LEU 838 CA 0.0025 -0.0032 0.0017 3139 LEU 838 C 0.0016 -0.0035 0.0014 3140 LEU 838 O 0.0016 -0.0035 0.0007 3141 LEU 838 CB 0.0027 -0.0031 0.0011 3142 LEU 838 CG 0.0024 -0.0032 0.0015 3143 LEU 838 CD1 0.0029 -0.0031 0.0009 3144 LEU 838 CD2 0.0015 -0.0036 0.0014 3145 TYR 839 N 0.0010 -0.0037 0.0019 3146 TYR 839 CA 0.0001 -0.0040 0.0017 3147 TYR 839 C -0.0004 -0.0042 0.0017 3148 TYR 839 O -0.0003 -0.0042 0.0023 3149 TYR 839 CB -0.0003 -0.0041 0.0023 3150 TYR 839 CG 0.0002 -0.0040 0.0023 3151 TYR 839 CD1 0.0001 -0.0041 0.0016 3152 TYR 839 CD2 0.0009 -0.0037 0.0029 3153 TYR 839 CE1 0.0005 -0.0039 0.0016 3154 TYR 839 CE2 0.0014 -0.0035 0.0028 3155 TYR 839 CZ 0.0012 -0.0036 0.0022 3156 TYR 839 OH 0.0016 -0.0035 0.0022 3157 ILE 840 N -0.0011 -0.0045 0.0012 3158 ILE 840 CA -0.0017 -0.0047 0.0011 3159 ILE 840 C -0.0026 -0.0050 0.0011 3160 ILE 840 O -0.0028 -0.0051 0.0006 3161 ILE 840 CB -0.0015 -0.0047 0.0003 3162 ILE 840 CG1 -0.0006 -0.0044 0.0004 3163 ILE 840 CG2 -0.0022 -0.0049 0.0002 3164 ILE 840 CD1 -0.0004 -0.0043 -0.0004 3165 LEU 841 N -0.0031 -0.0052 0.0018 3166 LEU 841 CA -0.0040 -0.0055 0.0019 3167 LEU 841 C -0.0046 -0.0057 0.0015 3168 LEU 841 O -0.0046 -0.0057 0.0019 3169 LEU 841 CB -0.0042 -0.0055 0.0029 3170 LEU 841 CG -0.0036 -0.0053 0.0033 3171 LEU 841 CD1 -0.0038 -0.0054 0.0043 3172 LEU 841 CD2 -0.0038 -0.0054 0.0028 3173 VAL 842 N -0.0051 -0.0058 0.0008 3174 VAL 842 CA -0.0057 -0.0061 0.0004 3175 VAL 842 C -0.0066 -0.0064 0.0004 3176 VAL 842 O -0.0068 -0.0064 0.0003 3177 VAL 842 CB -0.0054 -0.0060 -0.0006 3178 VAL 842 CG1 -0.0045 -0.0057 -0.0007 3179 VAL 842 CG2 -0.0055 -0.0060 -0.0012 3180 SER 843 N -0.0072 -0.0066 0.0007 3181 SER 843 CA -0.0082 -0.0069 0.0008 3182 SER 843 C -0.0087 -0.0071 0.0001 3183 SER 843 O -0.0084 -0.0070 -0.0004 3184 SER 843 CB -0.0085 -0.0070 0.0018 3185 SER 843 OG -0.0086 -0.0070 0.0019 3186 HIS 844 N -0.0095 -0.0073 0.0000 3187 HIS 844 CA -0.0101 -0.0075 -0.0007 3188 HIS 844 C -0.0102 -0.0076 -0.0005 3189 HIS 844 O -0.0105 -0.0076 -0.0011 3190 HIS 844 CB -0.0110 -0.0078 -0.0007 3191 HIS 844 CG -0.0117 -0.0081 -0.0015 3192 HIS 844 CD2 -0.0124 -0.0083 -0.0015 3193 HIS 844 ND1 -0.0115 -0.0080 -0.0024 3194 HIS 844 CE1 -0.0122 -0.0082 -0.0030 3195 HIS 844 NE2 -0.0127 -0.0084 -0.0025 3196 THR 845 N -0.0100 -0.0075 0.0004 3197 THR 845 CA -0.0102 -0.0076 0.0007 3198 THR 845 C -0.0093 -0.0072 0.0007 3199 THR 845 O -0.0093 -0.0072 0.0011 3200 THR 845 CB -0.0107 -0.0078 0.0017 3201 THR 845 CG2 -0.0101 -0.0076 0.0025 3202 THR 845 OG1 -0.0109 -0.0078 0.0019 3203 SER 846 N -0.0085 -0.0069 0.0004 3204 SER 846 CA -0.0077 -0.0066 0.0004 3205 SER 846 C -0.0077 -0.0066 -0.0003 3206 SER 846 O -0.0082 -0.0068 -0.0011 3207 SER 846 CB -0.0069 -0.0063 0.0001 3208 SER 846 OG -0.0069 -0.0063 -0.0009 3209 GLY 847 N -0.0071 -0.0063 -0.0003 3210 GLY 847 CA -0.0071 -0.0063 -0.0008 3211 GLY 847 C -0.0065 -0.0061 -0.0017 3212 GLY 847 O -0.0061 -0.0059 -0.0020 3213 SER 848 N -0.0065 -0.0061 -0.0021 3214 SER 848 CA -0.0059 -0.0058 -0.0030 3215 SER 848 C -0.0049 -0.0055 -0.0028 3216 SER 848 O -0.0044 -0.0053 -0.0034 3217 SER 848 CB -0.0061 -0.0059 -0.0035 3218 SER 848 OG -0.0055 -0.0057 -0.0043 3219 ALA 849 N -0.0046 -0.0054 -0.0020 3220 ALA 849 CA -0.0036 -0.0051 -0.0017 3221 ALA 849 C -0.0033 -0.0050 -0.0017 3222 ALA 849 O -0.0025 -0.0048 -0.0020 3223 ALA 849 CB -0.0034 -0.0051 -0.0008 3224 ALA 850 N -0.0042 -0.0054 -0.0012 3225 ALA 850 CA -0.0040 -0.0054 -0.0012 3226 ALA 850 C -0.0039 -0.0053 -0.0022 3227 ALA 850 O -0.0034 -0.0052 -0.0024 3228 ALA 850 CB -0.0047 -0.0056 -0.0006 3229 GLU 851 N -0.0045 -0.0055 -0.0028 3230 GLU 851 CA -0.0045 -0.0054 -0.0037 3231 GLU 851 C -0.0037 -0.0052 -0.0042 3232 GLU 851 O -0.0033 -0.0051 -0.0047 3233 GLU 851 CB -0.0053 -0.0056 -0.0042 3234 GLU 851 CG -0.0062 -0.0058 -0.0041 3235 GLU 851 CD -0.0062 -0.0058 -0.0047 3236 GLU 851 OE1 -0.0057 -0.0057 -0.0054 3237 GLU 851 OE2 -0.0067 -0.0060 -0.0045 3238 ALA 852 N -0.0034 -0.0051 -0.0041 3239 ALA 852 CA -0.0025 -0.0049 -0.0045 3240 ALA 852 C -0.0018 -0.0047 -0.0041 3241 ALA 852 O -0.0012 -0.0045 -0.0046 3242 ALA 852 CB -0.0024 -0.0049 -0.0043 3243 PHE 853 N -0.0019 -0.0048 -0.0030 3244 PHE 853 CA -0.0011 -0.0045 -0.0025 3245 PHE 853 C -0.0012 -0.0046 -0.0029 3246 PHE 853 O -0.0004 -0.0044 -0.0031 3247 PHE 853 CB -0.0013 -0.0046 -0.0014 3248 PHE 853 CG -0.0004 -0.0043 -0.0009 3249 PHE 853 CD1 0.0004 -0.0041 -0.0011 3250 PHE 853 CD2 -0.0005 -0.0043 -0.0002 3251 PHE 853 CE1 0.0012 -0.0038 -0.0006 3252 PHE 853 CE2 0.0003 -0.0041 0.0003 3253 PHE 853 CZ 0.0011 -0.0039 0.0001 3254 ALA 854 N -0.0020 -0.0048 -0.0030 3255 ALA 854 CA -0.0020 -0.0048 -0.0033 3256 ALA 854 C -0.0017 -0.0047 -0.0043 3257 ALA 854 O -0.0012 -0.0046 -0.0045 3258 ALA 854 CB -0.0030 -0.0051 -0.0032 3259 HIS 855 N -0.0020 -0.0048 -0.0049 3260 HIS 855 CA -0.0017 -0.0048 -0.0059 3261 HIS 855 C -0.0007 -0.0045 -0.0060 3262 HIS 855 O -0.0002 -0.0044 -0.0064 3263 HIS 855 CB -0.0021 -0.0049 -0.0065 3264 HIS 855 CG -0.0031 -0.0052 -0.0068 3265 HIS 855 CD2 -0.0034 -0.0053 -0.0075 3266 HIS 855 ND1 -0.0039 -0.0054 -0.0063 3267 HIS 855 CE1 -0.0046 -0.0056 -0.0067 3268 HIS 855 NE2 -0.0044 -0.0056 -0.0074 3269 THR 856 N -0.0004 -0.0045 -0.0053 3270 THR 856 CA 0.0005 -0.0042 -0.0055 3271 THR 856 C 0.0011 -0.0040 -0.0050 3272 THR 856 O 0.0019 -0.0038 -0.0052 3273 THR 856 CB 0.0007 -0.0041 -0.0051 3274 THR 856 CG2 0.0007 -0.0041 -0.0040 3275 THR 856 OG1 0.0016 -0.0038 -0.0054 3276 MET 857 N 0.0008 -0.0041 -0.0043 3277 MET 857 CA 0.0013 -0.0040 -0.0039 3278 MET 857 C 0.0012 -0.0040 -0.0044 3279 MET 857 O 0.0018 -0.0038 -0.0043 3280 MET 857 CB 0.0011 -0.0040 -0.0028 3281 MET 857 CG 0.0019 -0.0038 -0.0023 3282 MET 857 SD 0.0028 -0.0035 -0.0023 3283 MET 857 CE 0.0026 -0.0036 -0.0013 3284 GLN 858 N 0.0004 -0.0042 -0.0048 3285 GLN 858 CA 0.0003 -0.0043 -0.0054 3286 GLN 858 C 0.0008 -0.0041 -0.0063 3287 GLN 858 O 0.0012 -0.0040 -0.0066 3288 GLN 858 CB -0.0007 -0.0046 -0.0056 3289 GLN 858 CG -0.0010 -0.0047 -0.0057 3290 GLN 858 CD -0.0020 -0.0050 -0.0060 3291 GLN 858 NE2 -0.0024 -0.0051 -0.0057 3292 GLN 858 OE1 -0.0024 -0.0051 -0.0063 3293 ASP 859 N 0.0009 -0.0042 -0.0067 3294 ASP 859 CA 0.0013 -0.0040 -0.0076 3295 ASP 859 C 0.0024 -0.0037 -0.0075 3296 ASP 859 O 0.0028 -0.0036 -0.0081 3297 ASP 859 CB 0.0012 -0.0041 -0.0081 3298 ASP 859 CG 0.0012 -0.0040 -0.0092 3299 ASP 859 OD1 0.0013 -0.0040 -0.0096 3300 ASP 859 OD2 0.0010 -0.0041 -0.0096 3301 LEU 860 N 0.0028 -0.0036 -0.0068 3302 LEU 860 CA 0.0038 -0.0033 -0.0065 3303 LEU 860 C 0.0039 -0.0033 -0.0061 3304 LEU 860 O 0.0046 -0.0030 -0.0059 3305 LEU 860 CB 0.0041 -0.0032 -0.0059 3306 LEU 860 CG 0.0046 -0.0030 -0.0064 3307 LEU 860 CD1 0.0049 -0.0029 -0.0074 3308 LEU 860 CD2 0.0040 -0.0032 -0.0064 3309 GLN 861 N 0.0031 -0.0035 -0.0059 3310 GLN 861 CA 0.0031 -0.0035 -0.0055 3311 GLN 861 C 0.0036 -0.0034 -0.0045 3312 GLN 861 O 0.0042 -0.0032 -0.0044 3313 GLN 861 CB 0.0035 -0.0034 -0.0062 3314 GLN 861 CG 0.0028 -0.0036 -0.0065 3315 GLN 861 CD 0.0025 -0.0037 -0.0056 3316 GLN 861 NE2 0.0016 -0.0040 -0.0054 3317 GLN 861 OE1 0.0030 -0.0035 -0.0051 3318 ARG 862 N 0.0033 -0.0032 -0.0040 3319 ARG 862 CA 0.0038 -0.0030 -0.0030 3320 ARG 862 C 0.0032 -0.0033 -0.0022 3321 ARG 862 O 0.0034 -0.0032 -0.0014 3322 ARG 862 CB 0.0042 -0.0029 -0.0029 3323 ARG 862 CG 0.0051 -0.0026 -0.0025 3324 ARG 862 CD 0.0052 -0.0026 -0.0017 3325 ARG 862 NE 0.0049 -0.0027 -0.0008 3326 ARG 862 CZ 0.0055 -0.0026 0.0000 3327 ARG 862 NH1 0.0064 -0.0023 -0.0001 3328 ARG 862 NH2 0.0052 -0.0027 0.0008 3329 ALA 863 N 0.0024 -0.0035 -0.0024 3330 ALA 863 CA 0.0017 -0.0038 -0.0017 3331 ALA 863 C 0.0012 -0.0040 -0.0019 3332 ALA 863 O 0.0014 -0.0039 -0.0026 3333 ALA 863 CB 0.0011 -0.0040 -0.0016 3334 THR 864 N 0.0004 -0.0043 -0.0014 3335 THR 864 CA -0.0002 -0.0045 -0.0016 3336 THR 864 C -0.0011 -0.0048 -0.0012 3337 THR 864 O -0.0013 -0.0049 -0.0004 3338 THR 864 CB 0.0002 -0.0044 -0.0011 3339 THR 864 CG2 -0.0004 -0.0046 -0.0014 3340 THR 864 OG1 0.0011 -0.0040 -0.0014 3341 ILE 865 N -0.0014 -0.0048 -0.0017 3342 ILE 865 CA -0.0023 -0.0051 -0.0014 3343 ILE 865 C -0.0029 -0.0053 -0.0012 3344 ILE 865 O -0.0031 -0.0054 -0.0018 3345 ILE 865 CB -0.0026 -0.0052 -0.0022 3346 ILE 865 CG1 -0.0019 -0.0050 -0.0023 3347 ILE 865 CG2 -0.0035 -0.0055 -0.0020 3348 ILE 865 CD1 -0.0012 -0.0047 -0.0030 3349 ILE 866 N -0.0034 -0.0055 -0.0004 3350 ILE 866 CA -0.0040 -0.0057 -0.0000 3351 ILE 866 C -0.0048 -0.0060 0.0002 3352 ILE 866 O -0.0048 -0.0060 0.0008 3353 ILE 866 CB -0.0037 -0.0056 0.0008 3354 ILE 866 CG1 -0.0027 -0.0053 0.0006 3355 ILE 866 CG2 -0.0043 -0.0058 0.0010 3356 ILE 866 CD1 -0.0023 -0.0051 0.0015 3357 GLY 867 N -0.0056 -0.0063 -0.0002 3358 GLY 867 CA -0.0064 -0.0066 0.0000 3359 GLY 867 C -0.0071 -0.0068 -0.0008 3360 GLY 867 O -0.0069 -0.0067 -0.0015 3361 GLU 868 N -0.0078 -0.0065 -0.0006 3362 GLU 868 CA -0.0084 -0.0069 -0.0015 3363 GLU 868 C -0.0082 -0.0068 -0.0022 3364 GLU 868 O -0.0078 -0.0066 -0.0020 3365 GLU 868 CB -0.0094 -0.0073 -0.0010 3366 GLU 868 CG -0.0096 -0.0073 -0.0005 3367 GLU 868 CD -0.0100 -0.0075 0.0005 3368 GLU 868 OE1 -0.0103 -0.0076 0.0009 3369 GLU 868 OE2 -0.0100 -0.0075 0.0009 3370 PRO 869 N -0.0086 -0.0070 -0.0032 3371 PRO 869 CA -0.0084 -0.0069 -0.0039 3372 PRO 869 C -0.0089 -0.0071 -0.0036 3373 PRO 869 O -0.0096 -0.0074 -0.0031 3374 PRO 869 CB -0.0089 -0.0071 -0.0048 3375 PRO 869 CG -0.0089 -0.0071 -0.0047 3376 PRO 869 CD -0.0091 -0.0072 -0.0036 3377 THR 870 N -0.0084 -0.0069 -0.0039 3378 THR 870 CA -0.0088 -0.0071 -0.0036 3379 THR 870 C -0.0090 -0.0072 -0.0046 3380 THR 870 O -0.0084 -0.0069 -0.0051 3381 THR 870 CB -0.0080 -0.0067 -0.0032 3382 THR 870 CG2 -0.0084 -0.0069 -0.0027 3383 THR 870 OG1 -0.0076 -0.0065 -0.0025 3384 ALA 871 N -0.0094 -0.0067 -0.0051 3385 ALA 871 CA -0.0097 -0.0068 -0.0059 3386 ALA 871 C -0.0094 -0.0067 -0.0057 3387 ALA 871 O -0.0095 -0.0068 -0.0049 3388 ALA 871 CB -0.0107 -0.0072 -0.0059 3389 GLY 872 N -0.0091 -0.0066 -0.0064 3390 GLY 872 CA -0.0090 -0.0065 -0.0063 3391 GLY 872 C -0.0080 -0.0061 -0.0062 3392 GLY 872 O -0.0077 -0.0061 -0.0055 3393 GLY 873 N -0.0076 -0.0059 -0.0070 3394 GLY 873 CA -0.0068 -0.0056 -0.0070 3395 GLY 873 C -0.0068 -0.0056 -0.0068 3396 GLY 873 O -0.0064 -0.0055 -0.0061 3397 ALA 874 N -0.0071 -0.0056 -0.0073 3398 ALA 874 CA -0.0071 -0.0056 -0.0071 3399 ALA 874 C -0.0065 -0.0053 -0.0069 3400 ALA 874 O -0.0065 -0.0053 -0.0063 3401 ALA 874 CB -0.0076 -0.0057 -0.0065 3402 LEU 875 N -0.0060 -0.0052 -0.0073 3403 LEU 875 CA -0.0054 -0.0050 -0.0071 3404 LEU 875 C -0.0054 -0.0050 -0.0069 3405 LEU 875 O -0.0051 -0.0049 -0.0064 3406 LEU 875 CB -0.0050 -0.0049 -0.0077 3407 LEU 875 CG -0.0047 -0.0048 -0.0078 3408 LEU 875 CD1 -0.0040 -0.0046 -0.0078 3409 LEU 875 CD2 -0.0049 -0.0050 -0.0084 3410 SER 876 N -0.0057 -0.0051 -0.0073 3411 SER 876 CA -0.0057 -0.0051 -0.0071 3412 SER 876 C -0.0063 -0.0053 -0.0074 3413 SER 876 O -0.0064 -0.0054 -0.0080 3414 SER 876 CB -0.0052 -0.0050 -0.0073 3415 SER 876 OG -0.0048 -0.0048 -0.0068 3416 VAL 877 N -0.0066 -0.0044 -0.0084 3417 VAL 877 CA -0.0065 -0.0045 -0.0084 3418 VAL 877 C -0.0063 -0.0044 -0.0084 3419 VAL 877 O -0.0063 -0.0042 -0.0084 3420 VAL 877 CB -0.0066 -0.0044 -0.0084 3421 VAL 877 CG1 -0.0066 -0.0046 -0.0083 3422 VAL 877 CG2 -0.0068 -0.0043 -0.0084 3423 GLY 878 N -0.0062 -0.0045 -0.0084 3424 GLY 878 CA -0.0060 -0.0044 -0.0084 3425 GLY 878 C -0.0059 -0.0045 -0.0084 3426 GLY 878 O -0.0058 -0.0046 -0.0083 3427 ILE 879 N -0.0058 -0.0043 -0.0084 3428 ILE 879 CA -0.0057 -0.0043 -0.0084 3429 ILE 879 C -0.0055 -0.0044 -0.0084 3430 ILE 879 O -0.0054 -0.0043 -0.0084 3431 ILE 879 CB -0.0057 -0.0042 -0.0085 3432 ILE 879 CG1 -0.0056 -0.0040 -0.0085 3433 ILE 879 CG2 -0.0059 -0.0041 -0.0085 3434 ILE 879 CD1 -0.0056 -0.0039 -0.0086 3435 TYR 880 N -0.0055 -0.0036 -0.0083 3436 TYR 880 CA -0.0054 -0.0037 -0.0079 3437 TYR 880 C -0.0053 -0.0033 -0.0077 3438 TYR 880 O -0.0053 -0.0031 -0.0079 3439 TYR 880 CB -0.0054 -0.0040 -0.0078 3440 TYR 880 CG -0.0055 -0.0044 -0.0078 3441 TYR 880 CD1 -0.0056 -0.0044 -0.0080 3442 TYR 880 CD2 -0.0056 -0.0047 -0.0077 3443 TYR 880 CE1 -0.0057 -0.0048 -0.0081 3444 TYR 880 CE2 -0.0056 -0.0051 -0.0077 3445 TYR 880 CZ -0.0057 -0.0051 -0.0079 3446 TYR 880 OH -0.0058 -0.0055 -0.0080 3447 GLN 881 N -0.0052 -0.0031 -0.0075 3448 GLN 881 CA -0.0051 -0.0027 -0.0073 3449 GLN 881 C -0.0050 -0.0028 -0.0071 3450 GLN 881 O -0.0049 -0.0031 -0.0068 3451 GLN 881 CB -0.0049 -0.0026 -0.0071 3452 GLN 881 CG -0.0048 -0.0021 -0.0070 3453 GLN 881 CD -0.0047 -0.0020 -0.0067 3454 GLN 881 NE2 -0.0047 -0.0019 -0.0068 3455 GLN 881 OE1 -0.0046 -0.0019 -0.0064 3456 VAL 882 N -0.0050 -0.0026 -0.0071 3457 VAL 882 CA -0.0049 -0.0026 -0.0069 3458 VAL 882 C -0.0047 -0.0024 -0.0065 3459 VAL 882 O -0.0047 -0.0022 -0.0066 3460 VAL 882 CB -0.0049 -0.0023 -0.0070 3461 VAL 882 CG1 -0.0050 -0.0024 -0.0074 3462 VAL 882 CG2 -0.0048 -0.0019 -0.0070 3463 GLY 883 N -0.0045 -0.0024 -0.0059 3464 GLY 883 CA -0.0044 -0.0022 -0.0054 3465 GLY 883 C -0.0042 -0.0017 -0.0055 3466 GLY 883 O -0.0042 -0.0016 -0.0053 3467 SER 884 N -0.0042 -0.0014 -0.0057 3468 SER 884 CA -0.0041 -0.0008 -0.0058 3469 SER 884 C -0.0042 -0.0008 -0.0062 3470 SER 884 O -0.0043 -0.0010 -0.0066 3471 SER 884 CB -0.0040 -0.0005 -0.0059 3472 SER 884 OG -0.0039 0.0000 -0.0060 3473 SER 885 N -0.0041 -0.0005 -0.0061 3474 SER 885 CA -0.0041 -0.0005 -0.0065 3475 SER 885 C -0.0042 -0.0004 -0.0070 3476 SER 885 O -0.0044 -0.0007 -0.0073 3477 SER 885 CB -0.0040 -0.0001 -0.0063 3478 SER 885 OG -0.0039 -0.0001 -0.0058 3479 PRO 886 N -0.0042 -0.0000 -0.0070 3480 PRO 886 CA -0.0043 0.0002 -0.0075 3481 PRO 886 C -0.0045 -0.0002 -0.0079 3482 PRO 886 O -0.0046 -0.0001 -0.0083 3483 PRO 886 CB -0.0041 0.0006 -0.0075 3484 PRO 886 CG -0.0040 0.0008 -0.0070 3485 PRO 886 CD -0.0040 0.0003 -0.0067 3486 LEU 887 N -0.0045 -0.0006 -0.0077 3487 LEU 887 CA -0.0047 -0.0009 -0.0080 3488 LEU 887 C -0.0048 -0.0014 -0.0080 3489 LEU 887 O -0.0048 -0.0016 -0.0076 3490 LEU 887 CB -0.0047 -0.0009 -0.0078 3491 LEU 887 CG -0.0046 -0.0005 -0.0080 3492 LEU 887 CD1 -0.0046 -0.0006 -0.0078 3493 LEU 887 CD2 -0.0047 -0.0005 -0.0086 3494 TYR 888 N -0.0050 -0.0015 -0.0085 3495 TYR 888 CA -0.0052 -0.0020 -0.0086 3496 TYR 888 C -0.0053 -0.0023 -0.0089 3497 TYR 888 O -0.0053 -0.0020 -0.0092 3498 TYR 888 CB -0.0052 -0.0020 -0.0088 3499 TYR 888 CG -0.0051 -0.0018 -0.0085 3500 TYR 888 CD1 -0.0050 -0.0013 -0.0085 3501 TYR 888 CD2 -0.0051 -0.0021 -0.0083 3502 TYR 888 CE1 -0.0048 -0.0011 -0.0082 3503 TYR 888 CE2 -0.0050 -0.0020 -0.0080 3504 TYR 888 CZ -0.0048 -0.0015 -0.0080 3505 TYR 888 OH -0.0047 -0.0013 -0.0077 3506 ALA 889 N -0.0057 -0.0031 -0.0085 3507 ALA 889 CA -0.0059 -0.0033 -0.0086 3508 ALA 889 C -0.0060 -0.0035 -0.0087 3509 ALA 889 O -0.0059 -0.0036 -0.0086 3510 ALA 889 CB -0.0058 -0.0036 -0.0085 3511 SER 890 N -0.0062 -0.0035 -0.0090 3512 SER 890 CA -0.0064 -0.0036 -0.0091 3513 SER 890 C -0.0065 -0.0040 -0.0092 3514 SER 890 O -0.0066 -0.0040 -0.0094 3515 SER 890 CB -0.0065 -0.0034 -0.0094 3516 SER 890 OG -0.0067 -0.0035 -0.0095 3517 MET 891 N -0.0065 -0.0042 -0.0091 3518 MET 891 CA -0.0066 -0.0045 -0.0092 3519 MET 891 C -0.0066 -0.0047 -0.0093 3520 MET 891 O -0.0066 -0.0047 -0.0092 3521 MET 891 CB -0.0064 -0.0047 -0.0090 3522 MET 891 CG -0.0062 -0.0048 -0.0088 3523 MET 891 SD -0.0060 -0.0048 -0.0085 3524 MET 891 CE -0.0059 -0.0045 -0.0085 3525 PRO 892 N -0.0072 -0.0051 -0.0088 3526 PRO 892 CA -0.0067 -0.0051 -0.0087 3527 PRO 892 C -0.0063 -0.0051 -0.0089 3528 PRO 892 O -0.0062 -0.0052 -0.0093 3529 PRO 892 CB -0.0068 -0.0051 -0.0089 3530 PRO 892 CG -0.0073 -0.0051 -0.0091 3531 PRO 892 CD -0.0075 -0.0051 -0.0091 3532 THR 893 N -0.0060 -0.0051 -0.0086 3533 THR 893 CA -0.0056 -0.0051 -0.0087 3534 THR 893 C -0.0051 -0.0052 -0.0087 3535 THR 893 O -0.0048 -0.0052 -0.0086 3536 THR 893 CB -0.0056 -0.0051 -0.0084 3537 THR 893 CG2 -0.0055 -0.0050 -0.0078 3538 THR 893 OG1 -0.0052 -0.0051 -0.0085 3539 GLN 894 N -0.0052 -0.0052 -0.0088 3540 GLN 894 CA -0.0047 -0.0052 -0.0087 3541 GLN 894 C -0.0048 -0.0053 -0.0090 3542 GLN 894 O -0.0052 -0.0052 -0.0089 3543 GLN 894 CB -0.0046 -0.0051 -0.0082 3544 GLN 894 CG -0.0041 -0.0051 -0.0081 3545 GLN 894 CD -0.0037 -0.0052 -0.0082 3546 GLN 894 NE2 -0.0037 -0.0051 -0.0079 3547 GLN 894 OE1 -0.0035 -0.0053 -0.0086 3548 MET 895 N -0.0048 -0.0054 -0.0090 3549 MET 895 CA -0.0047 -0.0053 -0.0093 3550 MET 895 C -0.0037 -0.0052 -0.0094 3551 MET 895 O -0.0032 -0.0051 -0.0097 3552 MET 895 CB -0.0051 -0.0054 -0.0103 3553 MET 895 CG -0.0050 -0.0053 -0.0107 3554 MET 895 SD -0.0059 -0.0055 -0.0102 3555 MET 895 CE -0.0068 -0.0056 -0.0103 3556 ALA 896 N -0.0035 -0.0052 -0.0091 3557 ALA 896 CA -0.0026 -0.0050 -0.0091 3558 ALA 896 C -0.0024 -0.0050 -0.0100 3559 ALA 896 O -0.0030 -0.0050 -0.0105 3560 ALA 896 CB -0.0024 -0.0051 -0.0083 3561 LEU 897 N -0.0015 -0.0048 -0.0102 3562 LEU 897 CA -0.0012 -0.0047 -0.0110 3563 LEU 897 C -0.0004 -0.0046 -0.0107 3564 LEU 897 O 0.0003 -0.0045 -0.0105 3565 LEU 897 CB -0.0010 -0.0047 -0.0117 3566 LEU 897 CG -0.0017 -0.0047 -0.0121 3567 LEU 897 CD1 -0.0014 -0.0047 -0.0127 3568 LEU 897 CD2 -0.0024 -0.0048 -0.0125 3569 SER 898 N -0.0003 -0.0045 -0.0109 3570 SER 898 CA 0.0004 -0.0043 -0.0105 3571 SER 898 C 0.0013 -0.0041 -0.0109 3572 SER 898 O 0.0015 -0.0041 -0.0117 3573 SER 898 CB 0.0000 -0.0044 -0.0108 3574 SER 898 OG -0.0000 -0.0044 -0.0118 3575 ALA 899 N 0.0021 -0.0040 -0.0104 3576 ALA 899 CA 0.0031 -0.0038 -0.0107 3577 ALA 899 C 0.0033 -0.0037 -0.0115 3578 ALA 899 O 0.0038 -0.0035 -0.0122 3579 ALA 899 CB 0.0037 -0.0037 -0.0098 3580 SER 900 N 0.0031 -0.0037 -0.0114 3581 SER 900 CA 0.0034 -0.0036 -0.0121 3582 SER 900 C 0.0029 -0.0037 -0.0131 3583 SER 900 O 0.0034 -0.0036 -0.0139 3584 SER 900 CB 0.0031 -0.0037 -0.0118 3585 SER 900 OG 0.0021 -0.0039 -0.0116 3586 THR 901 N 0.0020 -0.0039 -0.0132 3587 THR 901 CA 0.0016 -0.0040 -0.0141 3588 THR 901 C 0.0010 -0.0041 -0.0139 3589 THR 901 O 0.0006 -0.0042 -0.0131 3590 THR 901 CB 0.0010 -0.0041 -0.0144 3591 THR 901 CG2 0.0002 -0.0042 -0.0138 3592 THR 901 OG1 0.0006 -0.0041 -0.0154 3593 GLY 902 N 0.0008 -0.0041 -0.0147 3594 GLY 902 CA 0.0003 -0.0042 -0.0146 3595 GLY 902 C -0.0008 -0.0044 -0.0144 3596 GLY 902 O -0.0012 -0.0045 -0.0144 3597 GLU 903 N -0.0011 -0.0044 -0.0144 3598 GLU 903 CA -0.0021 -0.0046 -0.0142 3599 GLU 903 C -0.0024 -0.0047 -0.0132 3600 GLU 903 O -0.0018 -0.0047 -0.0126 3601 GLU 903 CB -0.0024 -0.0047 -0.0143 3602 GLU 903 CG -0.0020 -0.0045 -0.0152 3603 GLU 903 CD -0.0020 -0.0045 -0.0151 3604 GLU 903 OE1 -0.0023 -0.0046 -0.0144 3605 GLU 903 OE2 -0.0017 -0.0045 -0.0158 3606 ALA 904 N -0.0031 -0.0050 -0.0131 3607 ALA 904 CA -0.0034 -0.0050 -0.0122 3608 ALA 904 C -0.0036 -0.0050 -0.0116 3609 ALA 904 O -0.0035 -0.0050 -0.0119 3610 ALA 904 CB -0.0042 -0.0052 -0.0123 3611 TRP 905 N -0.0039 -0.0051 -0.0108 3612 TRP 905 CA -0.0041 -0.0051 -0.0102 3613 TRP 905 C -0.0050 -0.0053 -0.0105 3614 TRP 905 O -0.0054 -0.0054 -0.0110 3615 TRP 905 CB -0.0041 -0.0051 -0.0092 3616 TRP 905 CG -0.0032 -0.0049 -0.0089 3617 TRP 905 CD1 -0.0025 -0.0048 -0.0093 3618 TRP 905 CD2 -0.0028 -0.0049 -0.0081 3619 TRP 905 CE2 -0.0019 -0.0047 -0.0081 3620 TRP 905 CE3 -0.0032 -0.0049 -0.0075 3621 TRP 905 NE1 -0.0018 -0.0047 -0.0088 3622 TRP 905 CZ2 -0.0014 -0.0046 -0.0074 3623 TRP 905 CZ3 -0.0026 -0.0048 -0.0068 3624 TRP 905 CH2 -0.0018 -0.0047 -0.0068 3625 ASP 906 N -0.0053 -0.0054 -0.0101 3626 ASP 906 CA -0.0061 -0.0055 -0.0104 3627 ASP 906 C -0.0069 -0.0056 -0.0105 3628 ASP 906 O -0.0074 -0.0057 -0.0111 3629 ASP 906 CB -0.0064 -0.0055 -0.0099 3630 ASP 906 CG -0.0069 -0.0056 -0.0104 3631 ASP 906 OD1 -0.0069 -0.0057 -0.0112 3632 ASP 906 OD2 -0.0074 -0.0057 -0.0099 3633 LEU 907 N -0.0069 -0.0056 -0.0100 3634 LEU 907 CA -0.0077 -0.0058 -0.0099 3635 LEU 907 C -0.0083 -0.0059 -0.0095 3636 LEU 907 O -0.0090 -0.0060 -0.0094 3637 LEU 907 CB -0.0080 -0.0058 -0.0107 3638 LEU 907 CG -0.0080 -0.0057 -0.0109 3639 LEU 907 CD1 -0.0073 -0.0056 -0.0114 3640 LEU 907 CD2 -0.0087 -0.0059 -0.0113 3641 ALA 908 N -0.0081 -0.0059 -0.0094 3642 ALA 908 CA -0.0087 -0.0060 -0.0091 3643 ALA 908 C -0.0084 -0.0060 -0.0083 3644 ALA 908 O -0.0089 -0.0061 -0.0078 3645 ALA 908 CB -0.0088 -0.0060 -0.0097 3646 GLY 909 N -0.0076 -0.0059 -0.0081 3647 GLY 909 CA -0.0072 -0.0059 -0.0073 3648 GLY 909 C -0.0066 -0.0057 -0.0075 3649 GLY 909 O -0.0064 -0.0057 -0.0082 3650 VAL 910 N -0.0062 -0.0062 -0.0059 3651 VAL 910 CA -0.0055 -0.0059 -0.0058 3652 VAL 910 C -0.0059 -0.0061 -0.0058 3653 VAL 910 O -0.0066 -0.0064 -0.0054 3654 VAL 910 CB -0.0050 -0.0057 -0.0049 3655 VAL 910 CG1 -0.0041 -0.0054 -0.0051 3656 VAL 910 CG2 -0.0055 -0.0060 -0.0042 3657 GLU 911 N -0.0054 -0.0059 -0.0062 3658 GLU 911 CA -0.0056 -0.0060 -0.0061 3659 GLU 911 C -0.0050 -0.0057 -0.0054 3660 GLU 911 O -0.0043 -0.0054 -0.0057 3661 GLU 911 CB -0.0056 -0.0059 -0.0071 3662 GLU 911 CG -0.0063 -0.0062 -0.0078 3663 GLU 911 CD -0.0072 -0.0065 -0.0074 3664 GLU 911 OE1 -0.0075 -0.0067 -0.0070 3665 GLU 911 OE2 -0.0075 -0.0067 -0.0075 3666 PRO 912 N -0.0052 -0.0059 -0.0045 3667 PRO 912 CA -0.0046 -0.0056 -0.0038 3668 PRO 912 C -0.0044 -0.0055 -0.0040 3669 PRO 912 O -0.0049 -0.0057 -0.0044 3670 PRO 912 CB -0.0051 -0.0059 -0.0029 3671 PRO 912 CG -0.0058 -0.0061 -0.0031 3672 PRO 912 CD -0.0061 -0.0062 -0.0041 3673 ASP 913 N -0.0036 -0.0059 -0.0033 3674 ASP 913 CA -0.0033 -0.0058 -0.0036 3675 ASP 913 C -0.0038 -0.0060 -0.0030 3676 ASP 913 O -0.0039 -0.0060 -0.0034 3677 ASP 913 CB -0.0022 -0.0056 -0.0034 3678 ASP 913 CG -0.0016 -0.0054 -0.0039 3679 ASP 913 OD1 -0.0020 -0.0054 -0.0046 3680 ASP 913 OD2 -0.0008 -0.0052 -0.0036 3681 ILE 914 N -0.0041 -0.0061 -0.0022 3682 ILE 914 CA -0.0047 -0.0063 -0.0016 3683 ILE 914 C -0.0057 -0.0066 -0.0014 3684 ILE 914 O -0.0057 -0.0066 -0.0010 3685 ILE 914 CB -0.0042 -0.0063 -0.0006 3686 ILE 914 CG1 -0.0032 -0.0060 -0.0008 3687 ILE 914 CG2 -0.0047 -0.0064 -0.0001 3688 ILE 914 CD1 -0.0031 -0.0059 -0.0015 3689 THR 915 N -0.0064 -0.0068 -0.0017 3690 THR 915 CA -0.0074 -0.0070 -0.0016 3691 THR 915 C -0.0079 -0.0072 -0.0008 3692 THR 915 O -0.0082 -0.0073 -0.0009 3693 THR 915 CB -0.0079 -0.0071 -0.0026 3694 THR 915 CG2 -0.0075 -0.0070 -0.0034 3695 THR 915 OG1 -0.0080 -0.0071 -0.0028 3696 VAL 916 N -0.0078 -0.0069 -0.0002 3697 VAL 916 CA -0.0083 -0.0071 0.0007 3698 VAL 916 C -0.0088 -0.0072 0.0010 3699 VAL 916 O -0.0086 -0.0072 0.0009 3700 VAL 916 CB -0.0076 -0.0068 0.0014 3701 VAL 916 CG1 -0.0072 -0.0067 0.0010 3702 VAL 916 CG2 -0.0070 -0.0066 0.0017 3703 PRO 917 N -0.0095 -0.0075 0.0016 3704 PRO 917 CA -0.0100 -0.0076 0.0020 3705 PRO 917 C -0.0094 -0.0074 0.0027 3706 PRO 917 O -0.0088 -0.0072 0.0031 3707 PRO 917 CB -0.0107 -0.0079 0.0025 3708 PRO 917 CG -0.0105 -0.0078 0.0025 3709 PRO 917 CD -0.0099 -0.0076 0.0017 3710 MET 918 N -0.0096 -0.0075 0.0028 3711 MET 918 CA -0.0090 -0.0072 0.0033 3712 MET 918 C -0.0089 -0.0072 0.0043 3713 MET 918 O -0.0082 -0.0070 0.0047 3714 MET 918 CB -0.0093 -0.0074 0.0032 3715 MET 918 CG -0.0102 -0.0076 0.0037 3716 MET 918 SD -0.0100 -0.0076 0.0049 3717 MET 918 CE -0.0097 -0.0074 0.0048 3718 SER 919 N -0.0095 -0.0074 0.0048 3719 SER 919 CA -0.0094 -0.0074 0.0058 3720 SER 919 C -0.0087 -0.0072 0.0059 3721 SER 919 O -0.0082 -0.0070 0.0066 3722 SER 919 CB -0.0103 -0.0077 0.0061 3723 SER 919 OG -0.0105 -0.0078 0.0058 3724 VAL 920 N -0.0086 -0.0071 0.0052 3725 VAL 920 CA -0.0080 -0.0069 0.0053 3726 VAL 920 C -0.0071 -0.0066 0.0049 3727 VAL 920 O -0.0065 -0.0064 0.0049 3728 VAL 920 CB -0.0084 -0.0071 0.0049 3729 VAL 920 CG1 -0.0085 -0.0071 0.0038 3730 VAL 920 CG2 -0.0080 -0.0069 0.0052 3731 ALA 921 N -0.0069 -0.0066 0.0046 3732 ALA 921 CA -0.0061 -0.0063 0.0041 3733 ALA 921 C -0.0053 -0.0060 0.0047 3734 ALA 921 O -0.0046 -0.0058 0.0044 3735 ALA 921 CB -0.0061 -0.0063 0.0037 3736 LEU 922 N -0.0052 -0.0061 0.0055 3737 LEU 922 CA -0.0045 -0.0057 0.0061 3738 LEU 922 C -0.0043 -0.0056 0.0063 3739 LEU 922 O -0.0036 -0.0054 0.0064 3740 LEU 922 CB -0.0047 -0.0057 0.0070 3741 LEU 922 CG -0.0039 -0.0054 0.0076 3742 LEU 922 CD1 -0.0032 -0.0052 0.0072 3743 LEU 922 CD2 -0.0042 -0.0055 0.0084 3744 SER 923 N -0.0049 -0.0059 0.0065 3745 SER 923 CA -0.0048 -0.0058 0.0067 3746 SER 923 C -0.0044 -0.0057 0.0059 3747 SER 923 O -0.0039 -0.0055 0.0060 3748 SER 923 CB -0.0056 -0.0061 0.0070 3749 SER 923 OG -0.0062 -0.0064 0.0063 3750 THR 924 N -0.0047 -0.0059 0.0051 3751 THR 924 CA -0.0043 -0.0058 0.0043 3752 THR 924 C -0.0034 -0.0055 0.0042 3753 THR 924 O -0.0029 -0.0053 0.0039 3754 THR 924 CB -0.0048 -0.0061 0.0035 3755 THR 924 CG2 -0.0056 -0.0064 0.0035 3756 THR 924 OG1 -0.0048 -0.0061 0.0035 3757 ALA 925 N -0.0032 -0.0055 0.0044 3758 ALA 925 CA -0.0024 -0.0050 0.0043 3759 ALA 925 C -0.0020 -0.0048 0.0050 3760 ALA 925 O -0.0013 -0.0044 0.0049 3761 ALA 925 CB -0.0023 -0.0050 0.0044 3762 ARG 926 N -0.0023 -0.0049 0.0058 3763 ARG 926 CA -0.0019 -0.0046 0.0065 3764 ARG 926 C -0.0018 -0.0046 0.0062 3765 ARG 926 O -0.0012 -0.0042 0.0064 3766 ARG 926 CB -0.0024 -0.0048 0.0073 3767 ARG 926 CG -0.0026 -0.0049 0.0076 3768 ARG 926 CD -0.0019 -0.0045 0.0077 3769 ARG 926 NE -0.0014 -0.0042 0.0084 3770 ARG 926 CZ -0.0015 -0.0041 0.0092 3771 ARG 926 NH1 -0.0020 -0.0044 0.0095 3772 ARG 926 NH2 -0.0011 -0.0039 0.0097 3773 ASP 927 N -0.0024 -0.0049 0.0059 3774 ASP 927 CA -0.0023 -0.0049 0.0056 3775 ASP 927 C -0.0017 -0.0046 0.0049 3776 ASP 927 O -0.0012 -0.0044 0.0049 3777 ASP 927 CB -0.0030 -0.0053 0.0053 3778 ASP 927 CG -0.0036 -0.0056 0.0060 3779 ASP 927 OD1 -0.0035 -0.0055 0.0067 3780 ASP 927 OD2 -0.0042 -0.0060 0.0057 3781 ILE 928 N -0.0015 -0.0049 0.0043 3782 ILE 928 CA -0.0010 -0.0046 0.0036 3783 ILE 928 C -0.0003 -0.0039 0.0039 3784 ILE 928 O 0.0001 -0.0036 0.0038 3785 ILE 928 CB -0.0009 -0.0049 0.0028 3786 ILE 928 CG1 -0.0016 -0.0055 0.0024 3787 ILE 928 CG2 -0.0003 -0.0045 0.0021 3788 ILE 928 CD1 -0.0017 -0.0057 0.0023 3789 VAL 929 N -0.0002 -0.0037 0.0043 3790 VAL 929 CA 0.0005 -0.0030 0.0046 3791 VAL 929 C 0.0005 -0.0028 0.0053 3792 VAL 929 O 0.0010 -0.0023 0.0054 3793 VAL 929 CB 0.0006 -0.0028 0.0049 3794 VAL 929 CG1 0.0001 -0.0031 0.0056 3795 VAL 929 CG2 0.0013 -0.0021 0.0050 3796 ALA 930 N -0.0001 -0.0031 0.0059 3797 ALA 930 CA -0.0001 -0.0030 0.0066 3798 ALA 930 C 0.0001 -0.0029 0.0062 3799 ALA 930 O 0.0005 -0.0025 0.0065 3800 ALA 930 CB -0.0007 -0.0034 0.0072 3801 LEU 931 N -0.0008 -0.0031 0.0062 3802 LEU 931 CA -0.0008 -0.0033 0.0061 3803 LEU 931 C -0.0002 -0.0025 0.0055 3804 LEU 931 O -0.0001 -0.0021 0.0058 3805 LEU 931 CB -0.0011 -0.0043 0.0055 3806 LEU 931 CG -0.0010 -0.0045 0.0051 3807 LEU 931 CD1 -0.0013 -0.0044 0.0059 3808 LEU 931 CD2 -0.0012 -0.0055 0.0045 3809 ARG 932 N 0.0003 -0.0023 0.0048 3810 ARG 932 CA 0.0009 -0.0016 0.0042 3811 ARG 932 C 0.0011 -0.0006 0.0049 3812 ARG 932 O 0.0015 -0.0001 0.0048 3813 ARG 932 CB 0.0013 -0.0016 0.0034 3814 ARG 932 CG 0.0012 -0.0024 0.0026 3815 ARG 932 CD 0.0016 -0.0024 0.0018 3816 ARG 932 NE 0.0016 -0.0031 0.0010 3817 ARG 932 CZ 0.0019 -0.0031 0.0002 3818 ARG 932 NH1 0.0023 -0.0023 0.0002 3819 ARG 932 NH2 0.0019 -0.0038 -0.0005 3820 ALA 933 N 0.0009 -0.0004 0.0056 3821 ALA 933 CA 0.0011 0.0005 0.0063 3822 ALA 933 C 0.0008 0.0005 0.0070 3823 ALA 933 O 0.0010 0.0012 0.0073 3824 ALA 933 CB 0.0009 0.0006 0.0069 3825 LYS 934 N 0.0002 -0.0000 0.0076 3826 LYS 934 CA -0.0002 -0.0001 0.0087 3827 LYS 934 C -0.0000 0.0000 0.0084 3828 LYS 934 O -0.0003 0.0002 0.0093 3829 LYS 934 CB -0.0007 -0.0014 0.0093 3830 LYS 934 CG -0.0011 -0.0013 0.0104 3831 LYS 934 CD -0.0016 -0.0027 0.0108 3832 LYS 934 CE -0.0018 -0.0028 0.0114 3833 LYS 934 NZ -0.0022 -0.0041 0.0116 3834 VAL 935 N 0.0004 -0.0001 0.0072 3835 VAL 935 CA 0.0005 -0.0001 0.0069 3836 VAL 935 C 0.0006 0.0011 0.0074 3837 VAL 935 O 0.0003 0.0009 0.0080 3838 VAL 935 CB 0.0009 -0.0004 0.0054 3839 VAL 935 CG1 0.0012 -0.0001 0.0051 3840 VAL 935 CG2 0.0007 -0.0018 0.0050 3841 PRO 936 N 0.0009 0.0023 0.0073 3842 PRO 936 CA 0.0011 0.0034 0.0077 3843 PRO 936 C 0.0006 0.0035 0.0091 3844 PRO 936 O 0.0005 0.0038 0.0095 3845 PRO 936 CB 0.0015 0.0046 0.0073 3846 PRO 936 CG 0.0014 0.0041 0.0072 3847 PRO 936 CD 0.0013 0.0027 0.0066 3848 THR 937 N 0.0002 0.0034 0.0101 3849 THR 937 CA -0.0004 0.0034 0.0116 3850 THR 937 C -0.0009 0.0023 0.0119 3851 THR 937 O -0.0012 0.0025 0.0128 3852 THR 937 CB -0.0008 0.0033 0.0124 3853 THR 937 CG2 -0.0004 0.0047 0.0125 3854 THR 937 OG1 -0.0008 0.0023 0.0117 3855 VAL 938 N -0.0010 0.0010 0.0112 3856 VAL 938 CA -0.0014 -0.0002 0.0113 3857 VAL 938 C -0.0011 0.0002 0.0110 3858 VAL 938 O -0.0015 -0.0000 0.0118 3859 VAL 938 CB -0.0014 -0.0015 0.0105 3860 VAL 938 CG1 -0.0018 -0.0027 0.0105 3861 VAL 938 CG2 -0.0018 -0.0019 0.0109 3862 LEU 939 N -0.0005 0.0008 0.0099 3863 LEU 939 CA -0.0002 0.0012 0.0095 3864 LEU 939 C -0.0003 0.0024 0.0105 3865 LEU 939 O -0.0005 0.0023 0.0109 3866 LEU 939 CB 0.0005 0.0018 0.0081 3867 LEU 939 CG 0.0009 0.0021 0.0074 3868 LEU 939 CD1 0.0015 0.0019 0.0058 3869 LEU 939 CD2 0.0012 0.0036 0.0078 3870 GLN 940 N -0.0003 0.0036 0.0112 3871 GLN 940 CA -0.0003 0.0048 0.0122 3872 GLN 940 C -0.0012 0.0042 0.0137 3873 GLN 940 O -0.0013 0.0046 0.0142 3874 GLN 940 CB -0.0001 0.0060 0.0126 3875 GLN 940 CG 0.0000 0.0075 0.0135 3876 GLN 940 CD 0.0004 0.0080 0.0130 3877 GLN 940 NE2 0.0011 0.0084 0.0116 3878 GLN 940 OE1 0.0001 0.0080 0.0138 3879 THR 941 N -0.0017 0.0032 0.0143 3880 THR 941 CA -0.0025 0.0026 0.0156 3881 THR 941 C -0.0028 0.0015 0.0154 3882 THR 941 O -0.0033 0.0014 0.0164 3883 THR 941 CB -0.0031 0.0019 0.0163 3884 THR 941 CG2 -0.0031 0.0005 0.0153 3885 THR 941 OG1 -0.0038 0.0015 0.0177 3886 ALA 942 N -0.0025 0.0006 0.0141 3887 ALA 942 CA -0.0028 -0.0004 0.0138 3888 ALA 942 C -0.0024 0.0005 0.0137 3889 ALA 942 O -0.0028 0.0001 0.0143 3890 ALA 942 CB -0.0025 -0.0015 0.0123 3891 GLY 943 N -0.0017 0.0017 0.0130 3892 GLY 943 CA -0.0013 0.0027 0.0129 3893 GLY 943 C -0.0018 0.0034 0.0145 3894 GLY 943 O -0.0019 0.0035 0.0149 3895 LYS 944 N -0.0020 0.0041 0.0155 3896 LYS 944 CA -0.0025 0.0048 0.0171 3897 LYS 944 C -0.0033 0.0035 0.0180 3898 LYS 944 O -0.0036 0.0039 0.0189 3899 LYS 944 CB -0.0026 0.0055 0.0180 3900 LYS 944 CG -0.0030 0.0064 0.0197 3901 LYS 944 CD -0.0026 0.0075 0.0197 3902 LYS 944 CE -0.0018 0.0092 0.0194 3903 LYS 944 NZ -0.0014 0.0102 0.0194 3904 LEU 945 N -0.0038 0.0020 0.0179 3905 LEU 945 CA -0.0047 0.0008 0.0187 3906 LEU 945 C -0.0046 0.0003 0.0181 3907 LEU 945 O -0.0051 0.0001 0.0191 3908 LEU 945 CB -0.0051 -0.0007 0.0185 3909 LEU 945 CG -0.0060 -0.0022 0.0192 3910 LEU 945 CD1 -0.0066 -0.0017 0.0210 3911 LEU 945 CD2 -0.0064 -0.0034 0.0190 3912 VAL 946 N -0.0040 0.0002 0.0166 3913 VAL 946 CA -0.0039 -0.0002 0.0159 3914 VAL 946 C -0.0036 0.0011 0.0164 3915 VAL 946 O -0.0039 0.0008 0.0168 3916 VAL 946 CB -0.0033 -0.0006 0.0140 3917 VAL 946 CG1 -0.0030 -0.0007 0.0133 3918 VAL 946 CG2 -0.0037 -0.0022 0.0136 3919 ALA 947 N -0.0029 0.0026 0.0164 3920 ALA 947 CA -0.0026 0.0039 0.0169 3921 ALA 947 C -0.0034 0.0040 0.0187 3922 ALA 947 O -0.0034 0.0046 0.0192 3923 ALA 947 CB -0.0018 0.0055 0.0166 3924 ASP 948 N -0.0040 0.0035 0.0196 3925 ASP 948 CA -0.0047 0.0035 0.0213 3926 ASP 948 C -0.0054 0.0023 0.0216 3927 ASP 948 O -0.0056 0.0026 0.0224 3928 ASP 948 CB -0.0052 0.0033 0.0222 3929 ASP 948 CG -0.0048 0.0048 0.0226 3930 ASP 948 OD1 -0.0043 0.0061 0.0228 3931 ASP 948 OD2 -0.0048 0.0047 0.0228 3932 ASN 949 N -0.0057 0.0007 0.0210 3933 ASN 949 CA -0.0064 -0.0006 0.0212 3934 ASN 949 C -0.0061 -0.0013 0.0196 3935 ASN 949 O -0.0059 -0.0020 0.0185 3936 ASN 949 CB -0.0073 -0.0019 0.0220 3937 ASN 949 CG -0.0077 -0.0013 0.0237 3938 ASN 949 ND2 -0.0075 -0.0001 0.0246 3939 ASN 949 OD1 -0.0082 -0.0018 0.0242 3940 TYR 950 N -0.0059 -0.0012 0.0194 3941 TYR 950 CA -0.0057 -0.0020 0.0180 3942 TYR 950 C -0.0059 -0.0020 0.0183 3943 TYR 950 O -0.0059 -0.0011 0.0195 3944 TYR 950 CB -0.0047 -0.0012 0.0165 3945 TYR 950 CG -0.0046 -0.0022 0.0149 3946 TYR 950 CD1 -0.0050 -0.0035 0.0143 3947 TYR 950 CD2 -0.0041 -0.0020 0.0139 3948 TYR 950 CE1 -0.0049 -0.0045 0.0128 3949 TYR 950 CE2 -0.0040 -0.0030 0.0124 3950 TYR 950 CZ -0.0044 -0.0042 0.0119 3951 TYR 950 OH -0.0042 -0.0052 0.0105 3952 ALA 951 N -0.0059 -0.0030 0.0173 3953 ALA 951 CA -0.0061 -0.0030 0.0175 3954 ALA 951 C -0.0052 -0.0015 0.0173 3955 ALA 951 O -0.0053 -0.0009 0.0183 3956 ALA 951 CB -0.0062 -0.0044 0.0163 3957 SER 952 N -0.0045 -0.0009 0.0162 3958 SER 952 CA -0.0036 0.0007 0.0160 3959 SER 952 C -0.0032 0.0018 0.0163 3960 SER 952 O -0.0028 0.0019 0.0152 3961 SER 952 CB -0.0030 0.0006 0.0143 3962 SER 952 OG -0.0022 0.0021 0.0141 3963 PRO 953 N -0.0034 0.0028 0.0177 3964 PRO 953 CA -0.0030 0.0039 0.0180 3965 PRO 953 C -0.0020 0.0050 0.0168 3966 PRO 953 O -0.0017 0.0054 0.0165 3967 PRO 953 CB -0.0033 0.0047 0.0197 3968 PRO 953 CG -0.0035 0.0045 0.0199 3969 PRO 953 CD -0.0038 0.0030 0.0190 3970 GLU 954 N -0.0015 0.0055 0.0163 3971 GLU 954 CA -0.0005 0.0066 0.0151 3972 GLU 954 C -0.0003 0.0057 0.0135 3973 GLU 954 O 0.0004 0.0063 0.0128 3974 GLU 954 CB -0.0001 0.0072 0.0148 3975 GLU 954 CG -0.0002 0.0082 0.0162 3976 GLU 954 CD -0.0012 0.0071 0.0173 3977 GLU 954 OE1 -0.0015 0.0058 0.0167 3978 GLU 954 OE2 -0.0015 0.0077 0.0187 3979 MET 955 N -0.0007 0.0042 0.0130 3980 MET 955 CA -0.0005 0.0033 0.0116 3981 MET 955 C -0.0008 0.0029 0.0118 3982 MET 955 O -0.0003 0.0029 0.0107 3983 MET 955 CB -0.0010 0.0018 0.0111 3984 MET 955 CG -0.0011 0.0005 0.0100 3985 MET 955 SD -0.0000 0.0012 0.0082 3986 MET 955 CE -0.0004 -0.0005 0.0072 3987 GLY 956 N -0.0015 0.0026 0.0132 3988 GLY 956 CA -0.0018 0.0024 0.0135 3989 GLY 956 C -0.0011 0.0038 0.0135 3990 GLY 956 O -0.0009 0.0037 0.0129 3991 ALA 957 N -0.0007 0.0052 0.0140 3992 ALA 957 CA 0.0000 0.0066 0.0139 3993 ALA 957 C 0.0009 0.0068 0.0122 3994 ALA 957 O 0.0013 0.0073 0.0117 3995 ALA 957 CB 0.0003 0.0080 0.0148 3996 LYS 958 N 0.0010 0.0063 0.0111 3997 LYS 958 CA 0.0017 0.0062 0.0095 3998 LYS 958 C 0.0015 0.0052 0.0088 3999 LYS 958 O 0.0021 0.0055 0.0078 4000 LYS 958 CB 0.0019 0.0058 0.0087 4001 LYS 958 CG 0.0027 0.0060 0.0070 4002 LYS 958 CD 0.0026 0.0047 0.0059 4003 LYS 958 CE 0.0034 0.0050 0.0043 4004 LYS 958 NZ 0.0033 0.0036 0.0031 4005 ILE 959 N 0.0007 0.0038 0.0094 4006 ILE 959 CA 0.0004 0.0028 0.0088 4007 ILE 959 C 0.0006 0.0035 0.0092 4008 ILE 959 O 0.0010 0.0034 0.0083 4009 ILE 959 CB -0.0005 0.0013 0.0096 4010 ILE 959 CG1 -0.0007 0.0005 0.0090 4011 ILE 959 CG2 -0.0008 0.0003 0.0092 4012 ILE 959 CD1 -0.0016 -0.0008 0.0099 4013 ALA 960 N 0.0004 0.0043 0.0107 4014 ALA 960 CA 0.0005 0.0051 0.0111 4015 ALA 960 C 0.0015 0.0063 0.0102 4016 ALA 960 O 0.0017 0.0065 0.0098 4017 ALA 960 CB 0.0001 0.0058 0.0128 4018 VAL 961 N 0.0020 0.0071 0.0098 4019 VAL 961 CA 0.0029 0.0082 0.0089 4020 VAL 961 C 0.0033 0.0075 0.0073 4021 VAL 961 O 0.0038 0.0080 0.0067 4022 VAL 961 CB 0.0034 0.0092 0.0088 4023 VAL 961 CG1 0.0043 0.0102 0.0077 4024 VAL 961 CG2 0.0031 0.0100 0.0104 4025 LYS 962 N 0.0031 0.0063 0.0067 4026 LYS 962 CA 0.0034 0.0056 0.0052 4027 LYS 962 C 0.0031 0.0048 0.0051 4028 LYS 962 O 0.0035 0.0046 0.0039 4029 LYS 962 CB 0.0032 0.0046 0.0045 4030 LYS 962 CG 0.0038 0.0042 0.0029 4031 LYS 962 CD 0.0047 0.0056 0.0021 4032 LYS 962 CE 0.0049 0.0063 0.0023 4033 LYS 962 NZ 0.0058 0.0077 0.0017 4034 LEU 963 N 0.0023 0.0042 0.0062 4035 LEU 963 CA 0.0019 0.0033 0.0062 4036 LEU 963 C 0.0024 0.0042 0.0061 4037 LEU 963 O 0.0024 0.0036 0.0055 4038 LEU 963 CB 0.0010 0.0025 0.0075 4039 LEU 963 CG 0.0005 0.0012 0.0075 4040 LEU 963 CD1 0.0007 0.0002 0.0059 4041 LEU 963 CD2 -0.0005 0.0003 0.0087 4042 SER 964 N 0.0027 0.0054 0.0068 4043 SER 964 CA 0.0031 0.0063 0.0067 4044 SER 964 C 0.0038 0.0065 0.0052 4045 SER 964 O 0.0041 0.0068 0.0049 4046 SER 964 CB 0.0033 0.0077 0.0076 4047 SER 964 OG 0.0040 0.0086 0.0069 4048 ARG 965 N 0.0041 0.0062 0.0042 4049 ARG 965 CA 0.0049 0.0065 0.0027 4050 ARG 965 C 0.0048 0.0053 0.0018 4051 ARG 965 O 0.0053 0.0054 0.0006 4052 ARG 965 CB 0.0053 0.0067 0.0020 4053 ARG 965 CG 0.0056 0.0081 0.0027 4054 ARG 965 CD 0.0062 0.0095 0.0025 4055 ARG 965 NE 0.0059 0.0099 0.0036 4056 ARG 965 CZ 0.0063 0.0108 0.0036 4057 ARG 965 NH1 0.0071 0.0115 0.0025 4058 ARG 965 NH2 0.0060 0.0111 0.0047 4059 LEU 966 N 0.0040 0.0041 0.0023 4060 LEU 966 CA 0.0039 0.0028 0.0015 4061 LEU 966 C 0.0037 0.0027 0.0018 4062 LEU 966 O 0.0033 0.0016 0.0016 4063 LEU 966 CB 0.0031 0.0014 0.0018 4064 LEU 966 CG 0.0033 0.0009 0.0010 4065 LEU 966 CD1 0.0038 0.0005 -0.0006 4066 LEU 966 CD2 0.0036 0.0020 0.0013 4067 GLN 967 N 0.0039 0.0037 0.0023 4068 GLN 967 CA 0.0038 0.0037 0.0026 4069 GLN 967 C 0.0041 0.0032 0.0015 4070 GLN 967 O 0.0037 0.0025 0.0016 4071 GLN 967 CB 0.0041 0.0051 0.0032 4072 GLN 967 CG 0.0036 0.0055 0.0046 4073 GLN 967 CD 0.0031 0.0052 0.0054 4074 GLN 967 NE2 0.0028 0.0058 0.0066 4075 GLN 967 OE1 0.0030 0.0044 0.0049 4076 SER 968 N 0.0048 0.0034 0.0004 4077 SER 968 CA 0.0051 0.0030 -0.0007 4078 SER 968 C 0.0046 0.0016 -0.0012 4079 SER 968 O 0.0046 0.0010 -0.0017 4080 SER 968 CB 0.0059 0.0037 -0.0018 4081 SER 968 OG 0.0060 0.0034 -0.0022 4082 ARG 969 N 0.0043 0.0010 -0.0010 4083 ARG 969 CA 0.0039 -0.0004 -0.0014 4084 ARG 969 C 0.0032 -0.0012 -0.0007 4085 ARG 969 O 0.0030 -0.0022 -0.0013 4086 ARG 969 CB 0.0036 -0.0008 -0.0013 4087 ARG 969 CG 0.0042 -0.0009 -0.0025 4088 ARG 969 CD 0.0041 -0.0021 -0.0035 4089 ARG 969 NE 0.0033 -0.0032 -0.0029 4090 ARG 969 CZ 0.0028 -0.0039 -0.0026 4091 ARG 969 NH1 0.0030 -0.0036 -0.0028 4092 ARG 969 NH2 0.0021 -0.0049 -0.0021 4093 TYR 970 N 0.0025 -0.0011 0.0009 4094 TYR 970 CA 0.0020 -0.0017 0.0015 4095 TYR 970 C 0.0021 -0.0014 0.0015 4096 TYR 970 O 0.0017 -0.0018 0.0019 4097 TYR 970 CB 0.0016 -0.0016 0.0025 4098 TYR 970 CG 0.0014 -0.0018 0.0026 4099 TYR 970 CD1 0.0011 -0.0027 0.0023 4100 TYR 970 CD2 0.0016 -0.0011 0.0029 4101 TYR 970 CE1 0.0010 -0.0029 0.0024 4102 TYR 970 CE2 0.0015 -0.0013 0.0030 4103 TYR 970 CZ 0.0012 -0.0022 0.0027 4104 TYR 970 OH 0.0010 -0.0025 0.0028 4105 ALA 971 N 0.0026 -0.0008 0.0010 4106 ALA 971 CA 0.0028 -0.0005 0.0009 4107 ALA 971 C 0.0026 -0.0013 0.0003 4108 ALA 971 O 0.0026 -0.0013 0.0004 4109 ALA 971 CB 0.0034 0.0004 0.0004 4110 ARG 972 N 0.0026 -0.0019 -0.0003 4111 ARG 972 CA 0.0025 -0.0027 -0.0009 4112 ARG 972 C 0.0019 -0.0036 -0.0006 4113 ARG 972 O 0.0018 -0.0044 -0.0012 4114 ARG 972 CB 0.0029 -0.0028 -0.0019 4115 ARG 972 CG 0.0033 -0.0024 -0.0026 4116 ARG 972 CD 0.0031 -0.0028 -0.0025 4117 ARG 972 NE 0.0035 -0.0021 -0.0025 4118 ARG 972 CZ 0.0037 -0.0022 -0.0032 4119 ARG 972 NH1 0.0036 -0.0030 -0.0038 4120 ARG 972 NH2 0.0040 -0.0015 -0.0032 4121 VAL 973 N 0.0015 -0.0032 -0.0001 4122 VAL 973 CA 0.0008 -0.0040 0.0002 4123 VAL 973 C 0.0004 -0.0045 0.0002 4124 VAL 973 O 0.0004 -0.0042 0.0008 4125 VAL 973 CB 0.0006 -0.0038 0.0011 4126 VAL 973 CG1 0.0008 -0.0036 0.0009 4127 VAL 973 CG2 0.0007 -0.0032 0.0018 4128 THR 974 N 0.0002 -0.0052 -0.0003 4129 THR 974 CA -0.0002 -0.0057 -0.0004 4130 THR 974 C -0.0007 -0.0059 0.0005 4131 THR 974 O -0.0008 -0.0059 0.0008 4132 THR 974 CB -0.0004 -0.0064 -0.0011 4133 THR 974 CG2 -0.0001 -0.0065 -0.0019 4134 THR 974 OG1 -0.0003 -0.0065 -0.0014 4135 SER 975 N -0.0011 -0.0062 0.0009 4136 SER 975 CA -0.0016 -0.0065 0.0018 4137 SER 975 C -0.0019 -0.0065 0.0024 4138 SER 975 O -0.0016 -0.0063 0.0022 4139 SER 975 CB -0.0021 -0.0073 0.0015 4140 SER 975 OG -0.0024 -0.0079 0.0013 4141 GLU 976 N -0.0027 -0.0068 0.0035 4142 GLU 976 CA -0.0036 -0.0070 0.0045 4143 GLU 976 C -0.0039 -0.0084 0.0043 4144 GLU 976 O -0.0036 -0.0093 0.0036 4145 GLU 976 CB -0.0043 -0.0069 0.0053 4146 GLU 976 CG -0.0045 -0.0079 0.0051 4147 GLU 976 CD -0.0039 -0.0076 0.0045 4148 GLU 976 OE1 -0.0033 -0.0083 0.0036 4149 GLU 976 OE2 -0.0040 -0.0068 0.0050 4150 ALA 977 N -0.0043 -0.0084 0.0048 4151 ALA 977 CA -0.0047 -0.0097 0.0047 4152 ALA 977 C -0.0039 -0.0099 0.0037 4153 ALA 977 O -0.0040 -0.0109 0.0035 4154 ALA 977 CB -0.0051 -0.0108 0.0048 4155 SER 978 N -0.0031 -0.0091 0.0030 4156 SER 978 CA -0.0023 -0.0092 0.0021 4157 SER 978 C -0.0022 -0.0082 0.0023 4158 SER 978 O -0.0019 -0.0085 0.0019 4159 SER 978 CB -0.0014 -0.0090 0.0012 4160 SER 978 OG -0.0009 -0.0077 0.0010 4161 LEU 979 N -0.0020 -0.0075 0.0030 4162 LEU 979 CA -0.0017 -0.0064 0.0033 4163 LEU 979 C -0.0023 -0.0068 0.0039 4164 LEU 979 O -0.0020 -0.0065 0.0037 4165 LEU 979 CB -0.0017 -0.0053 0.0041 4166 LEU 979 CG -0.0020 -0.0044 0.0050 4167 LEU 979 CD1 -0.0012 -0.0032 0.0046 4168 LEU 979 CD2 -0.0026 -0.0041 0.0061 4169 ALA 980 N -0.0031 -0.0076 0.0047 4170 ALA 980 CA -0.0038 -0.0080 0.0053 4171 ALA 980 C -0.0035 -0.0089 0.0044 4172 ALA 980 O -0.0036 -0.0088 0.0046 4173 ALA 980 CB -0.0047 -0.0087 0.0061 4174 GLU 981 N -0.0033 -0.0097 0.0036 4175 GLU 981 CA -0.0030 -0.0106 0.0027 4176 GLU 981 C -0.0023 -0.0097 0.0022 4177 GLU 981 O -0.0023 -0.0100 0.0021 4178 GLU 981 CB -0.0028 -0.0114 0.0018 4179 GLU 981 CG -0.0021 -0.0118 0.0006 4180 GLU 981 CD -0.0013 -0.0112 -0.0002 4181 GLU 981 OE1 -0.0006 -0.0107 -0.0008 4182 GLU 981 OE2 -0.0013 -0.0113 -0.0002 4183 MET 982 N -0.0018 -0.0090 0.0018 4184 MET 982 CA -0.0010 -0.0080 0.0013 4185 MET 982 C -0.0012 -0.0072 0.0022 4186 MET 982 O -0.0009 -0.0070 0.0018 4187 MET 982 CB -0.0003 -0.0069 0.0010 4188 MET 982 CG -0.0002 -0.0075 0.0004 4189 MET 982 SD 0.0007 -0.0062 -0.0001 4190 MET 982 CE 0.0007 -0.0073 -0.0009 4191 LEU 983 N -0.0018 -0.0068 0.0035 4192 LEU 983 CA -0.0020 -0.0060 0.0044 4193 LEU 983 C -0.0024 -0.0068 0.0045 4194 LEU 983 O -0.0021 -0.0062 0.0045 4195 LEU 983 CB -0.0026 -0.0056 0.0058 4196 LEU 983 CG -0.0026 -0.0043 0.0067 4197 LEU 983 CD1 -0.0016 -0.0033 0.0060 4198 LEU 983 CD2 -0.0027 -0.0035 0.0075 4199 GLU 984 N -0.0030 -0.0081 0.0045 4200 GLU 984 CA -0.0035 -0.0090 0.0045 4201 GLU 984 C -0.0027 -0.0089 0.0034 4202 GLU 984 O -0.0027 -0.0084 0.0037 4203 GLU 984 CB -0.0041 -0.0105 0.0044 4204 GLU 984 CG -0.0047 -0.0115 0.0046 4205 GLU 984 CD -0.0055 -0.0129 0.0047 4206 GLU 984 OE1 -0.0055 -0.0132 0.0044 4207 GLU 984 OE2 -0.0061 -0.0136 0.0051 4208 ALA 985 N -0.0023 -0.0096 0.0023 4209 ALA 985 CA -0.0016 -0.0096 0.0011 4210 ALA 985 C -0.0009 -0.0080 0.0012 4211 ALA 985 O -0.0007 -0.0079 0.0009 4212 ALA 985 CB -0.0011 -0.0101 -0.0003 4213 ASP 986 N -0.0006 -0.0069 0.0016 4214 ASP 986 CA 0.0001 -0.0054 0.0017 4215 ASP 986 C -0.0004 -0.0051 0.0028 4216 ASP 986 O 0.0001 -0.0044 0.0026 4217 ASP 986 CB 0.0004 -0.0044 0.0020 4218 ASP 986 CG 0.0012 -0.0044 0.0007 4219 ASP 986 OD1 0.0011 -0.0055 -0.0002 4220 ASP 986 OD2 0.0018 -0.0032 0.0006 4221 LEU 987 N -0.0013 -0.0055 0.0040 4222 LEU 987 CA -0.0018 -0.0051 0.0051 4223 LEU 987 C -0.0019 -0.0060 0.0047 4224 LEU 987 O -0.0018 -0.0054 0.0050 4225 LEU 987 CB -0.0027 -0.0055 0.0064 4226 LEU 987 CG -0.0027 -0.0043 0.0074 4227 LEU 987 CD1 -0.0036 -0.0048 0.0085 4228 LEU 987 CD2 -0.0025 -0.0031 0.0081 4229 GLN 988 N -0.0023 -0.0075 0.0040 4230 GLN 988 CA -0.0024 -0.0083 0.0035 4231 GLN 988 C -0.0014 -0.0078 0.0022 4232 GLN 988 O -0.0015 -0.0081 0.0019 4233 GLN 988 CB -0.0030 -0.0100 0.0030 4234 GLN 988 CG -0.0040 -0.0107 0.0043 4235 GLN 988 CD -0.0047 -0.0124 0.0039 4236 GLN 988 NE2 -0.0054 -0.0130 0.0045 4237 GLN 988 OE1 -0.0046 -0.0130 0.0031 4238 LEU 989 N -0.0006 -0.0070 0.0014 4239 LEU 989 CA 0.0003 -0.0063 0.0004 4240 LEU 989 C 0.0006 -0.0049 0.0012 4241 LEU 989 O 0.0010 -0.0046 0.0008 4242 LEU 989 CB 0.0011 -0.0060 -0.0007 4243 LEU 989 CG 0.0022 -0.0054 -0.0020 4244 LEU 989 CD1 0.0027 -0.0058 -0.0032 4245 LEU 989 CD2 0.0028 -0.0037 -0.0016 4246 LEU 990 N 0.0004 -0.0040 0.0023 4247 LEU 990 CA 0.0006 -0.0026 0.0031 4248 LEU 990 C 0.0000 -0.0030 0.0039 4249 LEU 990 O 0.0005 -0.0022 0.0039 4250 LEU 990 CB 0.0004 -0.0018 0.0042 4251 LEU 990 CG 0.0011 -0.0011 0.0036 4252 LEU 990 CD1 0.0010 0.0000 0.0048 4253 LEU 990 CD2 0.0022 -0.0003 0.0024 4254 SER 991 N -0.0008 -0.0041 0.0045 4255 SER 991 CA -0.0015 -0.0045 0.0053 4256 SER 991 C -0.0019 -0.0061 0.0045 4257 SER 991 O -0.0023 -0.0072 0.0043 4258 SER 991 CB -0.0024 -0.0044 0.0069 4259 SER 991 OG -0.0031 -0.0051 0.0076 4260 GLY 992 N -0.0018 -0.0063 0.0041 4261 GLY 992 CA -0.0021 -0.0078 0.0033 4262 GLY 992 C -0.0033 -0.0090 0.0042 4263 GLY 992 OXT -0.0036 -0.0104 0.0036 4264 ASP 993 N -0.0039 -0.0086 0.0057 4265 ASP 993 CA -0.0050 -0.0097 0.0066 4266 ASP 993 C -0.0052 -0.0105 0.0061 4267 ASP 993 O -0.0048 -0.0098 0.0062 4268 ASP 993 CB -0.0055 -0.0088 0.0082 4269 ASP 993 CG -0.0067 -0.0099 0.0093 4270 ASP 993 OD1 -0.0071 -0.0113 0.0087 4271 ASP 993 OD2 -0.0072 -0.0094 0.0106 4272 PRO 994 N -0.0058 -0.0121 0.0057 4273 PRO 994 CA -0.0060 -0.0130 0.0054 4274 PRO 994 C -0.0070 -0.0133 0.0067 4275 PRO 994 O -0.0074 -0.0143 0.0066 4276 PRO 994 CB -0.0061 -0.0144 0.0043 4277 PRO 994 CG -0.0065 -0.0147 0.0047 4278 PRO 994 CD -0.0061 -0.0132 0.0054 4279 HIS 995 N -0.0074 -0.0125 0.0080 4280 HIS 995 CA -0.0083 -0.0128 0.0094 4281 HIS 995 C -0.0081 -0.0118 0.0099 4282 HIS 995 O -0.0089 -0.0120 0.0110 4283 HIS 995 CB -0.0089 -0.0125 0.0106 4284 HIS 995 CG -0.0093 -0.0136 0.0103 4285 HIS 995 CD2 -0.0103 -0.0146 0.0111 4286 HIS 995 ND1 -0.0087 -0.0139 0.0090 4287 HIS 995 CE1 -0.0093 -0.0150 0.0091 4288 HIS 995 NE2 -0.0103 -0.0154 0.0103 4289 LEU 996 N -0.0072 -0.0107 0.0092 4290 LEU 996 CA -0.0069 -0.0097 0.0097 4291 LEU 996 C -0.0070 -0.0105 0.0091 4292 LEU 996 O -0.0062 -0.0101 0.0081 4293 LEU 996 CB -0.0059 -0.0082 0.0093 4294 LEU 996 CG -0.0058 -0.0072 0.0101 4295 LEU 996 CD1 -0.0047 -0.0058 0.0094 4296 LEU 996 CD2 -0.0066 -0.0067 0.0117 4297 LYS 997 N -0.0079 -0.0114 0.0095 4298 LYS 997 CA -0.0078 -0.0120 0.0090 4299 LYS 997 C -0.0078 -0.0110 0.0095 4300 LYS 997 O -0.0081 -0.0099 0.0106 4301 LYS 997 CB -0.0088 -0.0136 0.0094 4302 LYS 997 CG -0.0087 -0.0149 0.0085 4303 LYS 997 CD -0.0089 -0.0150 0.0087 4304 LYS 997 CE -0.0100 -0.0153 0.0100 4305 LYS 997 NZ -0.0102 -0.0154 0.0103 4306 THR 998 N -0.0074 -0.0112 0.0089 4307 THR 998 CA -0.0074 -0.0104 0.0093 4308 THR 998 C -0.0077 -0.0116 0.0091 4309 THR 998 O -0.0076 -0.0128 0.0082 4310 THR 998 CB -0.0063 -0.0092 0.0086 4311 THR 998 CG2 -0.0060 -0.0079 0.0089 4312 THR 998 OG1 -0.0056 -0.0098 0.0072 4313 ALA 999 N -0.0081 -0.0113 0.0099 4314 ALA 999 CA -0.0085 -0.0123 0.0098 4315 ALA 999 C -0.0085 -0.0115 0.0102 4316 ALA 999 O -0.0084 -0.0101 0.0109 4317 ALA 999 CB -0.0096 -0.0135 0.0106 4318 HIS 1000 N -0.0088 -0.0121 0.0098 4319 HIS 1000 CA -0.0089 -0.0114 0.0105 4320 HIS 1000 C -0.0103 -0.0128 0.0115 4321 HIS 1000 O -0.0108 -0.0146 0.0109 4322 HIS 1000 CB -0.0077 -0.0111 0.0090 4323 HIS 1000 CG -0.0081 -0.0114 0.0094 4324 HIS 1000 CD2 -0.0085 -0.0129 0.0088 4325 HIS 1000 ND1 -0.0081 -0.0099 0.0105 4326 HIS 1000 CE1 -0.0085 -0.0105 0.0106 4327 HIS 1000 NE2 -0.0087 -0.0123 0.0096 4328 ILE 1001 N -0.0110 -0.0120 0.0130 4329 ILE 1001 CA -0.0123 -0.0132 0.0140 4330 ILE 1001 C -0.0121 -0.0137 0.0134 4331 ILE 1001 O -0.0121 -0.0126 0.0142 4332 ILE 1001 CB -0.0132 -0.0122 0.0160 4333 ILE 1001 CG1 -0.0132 -0.0115 0.0166 4334 ILE 1001 CG2 -0.0147 -0.0137 0.0171 4335 ILE 1001 CD1 -0.0137 -0.0131 0.0161