1 ASN 1 N 0.0461 0.0559 -0.0079 2 ASN 1 CA 0.0477 0.0548 -0.0079 3 ASN 1 C 0.0436 0.0331 -0.0149 4 ASN 1 O 0.0557 0.0245 -0.0156 5 ASN 1 CB 0.0323 0.0705 -0.0056 6 ASN 1 CG 0.0329 0.0690 -0.0060 7 ASN 1 OD1 0.0151 0.0745 -0.0070 8 ASN 1 ND2 0.0491 0.0627 -0.0054 9 ASN 1 H1 0.0488 0.0703 -0.0032 10 ASN 1 H2 0.0569 0.0459 -0.0091 11 ASN 1 HA 0.0638 0.0584 -0.0044 12 ASN 1 HB3 0.0162 0.0681 -0.0088 13 ASN 1 HB2 0.0362 0.0860 -0.0005 14 ASN 1 HD22 0.0493 0.0618 -0.0056 15 ASN 1 HD21 0.0622 0.0585 -0.0047 16 LEU 2 N 0.0264 0.0247 -0.0200 17 LEU 2 CA 0.0216 0.0036 -0.0269 18 LEU 2 C 0.0333 -0.0115 -0.0295 19 LEU 2 O 0.0320 -0.0302 -0.0352 20 LEU 2 CB -0.0023 0.0005 -0.0314 21 LEU 2 CG -0.0166 0.0079 -0.0314 22 LEU 2 CD1 -0.0394 0.0115 -0.0337 23 LEU 2 CD2 -0.0154 -0.0077 -0.0357 24 LEU 2 H 0.0162 0.0329 -0.0191 25 LEU 2 HA 0.0267 0.0003 -0.0271 26 LEU 2 HB3 -0.0049 -0.0157 -0.0365 27 LEU 2 HB2 -0.0082 0.0072 -0.0303 28 LEU 2 HG -0.0109 0.0224 -0.0262 29 LEU 2 HD11 -0.0493 0.0168 -0.0337 30 LEU 2 HD12 -0.0400 0.0231 -0.0304 31 LEU 2 HD13 -0.0454 -0.0028 -0.0388 32 LEU 2 HD21 -0.0256 -0.0024 -0.0357 33 LEU 2 HD22 -0.0206 -0.0224 -0.0409 34 LEU 2 HD23 0.0009 -0.0095 -0.0338 35 GLY 3 N 0.0295 -0.0082 -0.0134 36 GLY 3 CA 0.0262 -0.0033 -0.0111 37 GLY 3 C 0.0208 -0.0050 -0.0077 38 GLY 3 O 0.0194 -0.0100 -0.0069 39 GLY 3 H 0.0291 -0.0115 -0.0131 40 GLY 3 HA3 0.0269 -0.0007 -0.0116 41 GLY 3 HA2 0.0271 -0.0003 -0.0117 42 LEU 4 N 0.0178 -0.0007 -0.0057 43 LEU 4 CA 0.0125 -0.0016 -0.0023 44 LEU 4 C 0.0098 0.0016 -0.0005 45 LEU 4 O 0.0109 0.0067 -0.0012 46 LEU 4 CB 0.0107 0.0005 -0.0012 47 LEU 4 CG 0.0056 -0.0011 0.0021 48 LEU 4 CD1 0.0051 -0.0078 0.0023 49 LEU 4 CD2 0.0048 0.0017 0.0027 50 LEU 4 H 0.0191 0.0034 -0.0065 51 LEU 4 HA 0.0117 -0.0063 -0.0019 52 LEU 4 HB3 0.0112 0.0052 -0.0014 53 LEU 4 HB2 0.0135 -0.0008 -0.0029 54 LEU 4 HG 0.0029 0.0005 0.0039 55 LEU 4 HD11 0.0014 -0.0089 0.0047 56 LEU 4 HD12 0.0057 -0.0097 0.0019 57 LEU 4 HD13 0.0079 -0.0094 0.0005 58 LEU 4 HD21 0.0011 0.0006 0.0050 59 LEU 4 HD22 0.0076 0.0002 0.0009 60 LEU 4 HD23 0.0052 0.0065 0.0025 61 ASP 5 N -0.0043 -0.0074 0.0003 62 ASP 5 CA -0.0072 -0.0056 0.0016 63 ASP 5 C -0.0106 -0.0051 0.0037 64 ASP 5 O -0.0114 -0.0078 0.0050 65 ASP 5 CB -0.0075 -0.0081 0.0026 66 ASP 5 CG -0.0048 -0.0075 0.0007 67 ASP 5 OD1 -0.0032 -0.0046 -0.0012 68 ASP 5 OD2 -0.0043 -0.0099 0.0011 69 ASP 5 H -0.0042 -0.0102 0.0011 70 ASP 5 HA -0.0068 -0.0027 0.0004 71 ASP 5 HB3 -0.0101 -0.0073 0.0040 72 ASP 5 HB2 -0.0072 -0.0112 0.0034 73 CYS 6 N -0.0127 -0.0017 0.0040 74 CYS 6 CA -0.0161 -0.0009 0.0059 75 CYS 6 C -0.0189 0.0009 0.0071 76 CYS 6 O -0.0181 0.0023 0.0061 77 CYS 6 CB -0.0161 0.0020 0.0049 78 CYS 6 SG -0.0128 0.0004 0.0033 79 CYS 6 H -0.0120 0.0004 0.0028 80 CYS 6 HA -0.0168 -0.0036 0.0072 81 CYS 6 HB3 -0.0186 0.0025 0.0064 82 CYS 6 HB2 -0.0157 0.0049 0.0038 83 ASP 7 N -0.0240 0.0038 0.0152 84 ASP 7 CA -0.0297 0.0034 0.0144 85 ASP 7 C -0.0253 -0.0017 0.0058 86 ASP 7 O -0.0180 -0.0048 0.0007 87 ASP 7 CB -0.0283 0.0088 0.0235 88 ASP 7 CG -0.0161 0.0102 0.0259 89 ASP 7 OD1 -0.0105 0.0073 0.0211 90 ASP 7 OD2 -0.0121 0.0142 0.0327 91 ASP 7 H -0.0155 0.0041 0.0157 92 ASP 7 HA -0.0387 0.0028 0.0133 93 ASP 7 HB3 -0.0324 0.0124 0.0295 94 ASP 7 HB2 -0.0325 0.0082 0.0226 95 GLU 8 N -0.0296 -0.0025 0.0044 96 GLU 8 CA -0.0263 -0.0074 -0.0038 97 GLU 8 C -0.0139 -0.0073 -0.0036 98 GLU 8 O -0.0089 -0.0119 -0.0113 99 GLU 8 CB -0.0332 -0.0079 -0.0047 100 GLU 8 CG -0.0358 -0.0023 0.0047 101 GLU 8 CD -0.0442 0.0013 0.0108 102 GLU 8 OE1 -0.0528 -0.0010 0.0068 103 GLU 8 OE2 -0.0420 0.0065 0.0195 104 GLU 8 H -0.0353 0.0003 0.0091 105 GLU 8 HA -0.0278 -0.0112 -0.0103 106 GLU 8 HB3 -0.0410 -0.0101 -0.0085 107 GLU 8 HB2 -0.0290 -0.0108 -0.0095 108 GLU 8 HG3 -0.0390 -0.0032 0.0032 109 GLU 8 HG2 -0.0281 0.0001 0.0088 110 HIS 9 N 0.0152 0.0068 0.0058 111 HIS 9 CA 0.0322 0.0046 0.0039 112 HIS 9 C 0.0290 0.0103 0.0057 113 HIS 9 O 0.0379 0.0221 0.0083 114 HIS 9 CB 0.0481 0.0137 0.0052 115 HIS 9 CG 0.0514 0.0073 0.0031 116 HIS 9 ND1 0.0576 -0.0088 -0.0019 117 HIS 9 CD2 0.0539 0.0167 0.0055 118 HIS 9 CE1 0.0612 -0.0100 -0.0025 119 HIS 9 NE2 0.0591 0.0053 0.0020 120 HIS 9 H 0.0090 0.0178 0.0094 121 HIS 9 HA 0.0348 -0.0092 -0.0002 122 HIS 9 HB3 0.0603 0.0122 0.0038 123 HIS 9 HB2 0.0461 0.0276 0.0092 124 HIS 9 HD1 0.0588 -0.0176 -0.0044 125 HIS 9 HD2 0.0519 0.0305 0.0096 126 HIS 9 HE1 0.0651 -0.0222 -0.0062 127 SER 10 N 0.0156 0.0015 0.0043 128 SER 10 CA 0.0104 0.0027 0.0050 129 SER 10 C 0.0137 -0.0149 -0.0002 130 SER 10 O 0.0110 -0.0281 -0.0037 131 SER 10 CB -0.0095 0.0074 0.0079 132 SER 10 OG -0.0168 -0.0001 0.0064 133 SER 10 H 0.0079 -0.0070 0.0025 134 SER 10 HA 0.0188 0.0125 0.0071 135 SER 10 HB3 -0.0170 0.0028 0.0072 136 SER 10 HB2 -0.0106 0.0215 0.0119 137 SER 10 HG -0.0292 0.0029 0.0082 138 SER 11 N 0.0056 0.0050 0.0027 139 SER 11 CA 0.0073 0.0024 -0.0005 140 SER 11 C 0.0058 0.0022 -0.0002 141 SER 11 O 0.0081 0.0013 -0.0019 142 SER 11 CB 0.0125 0.0032 -0.0017 143 SER 11 OG 0.0145 0.0067 0.0010 144 SER 11 H 0.0070 0.0075 0.0047 145 SER 11 HA 0.0059 -0.0001 -0.0025 146 SER 11 HB3 0.0135 0.0029 -0.0024 147 SER 11 HB2 0.0138 0.0015 -0.0040 148 SER 11 HG 0.0136 0.0070 0.0016 149 GLU 12 N 0.0019 0.0030 0.0022 150 GLU 12 CA -0.0001 0.0030 0.0029 151 GLU 12 C -0.0023 -0.0007 0.0000 152 GLU 12 O -0.0054 -0.0025 -0.0006 153 GLU 12 CB -0.0037 0.0051 0.0064 154 GLU 12 CG -0.0063 0.0051 0.0074 155 GLU 12 CD -0.0032 0.0066 0.0078 156 GLU 12 OE1 -0.0014 0.0098 0.0102 157 GLU 12 OE2 -0.0026 0.0047 0.0056 158 GLU 12 H 0.0002 0.0038 0.0036 159 GLU 12 HA 0.0026 0.0042 0.0031 160 GLU 12 HB3 -0.0062 0.0041 0.0064 161 GLU 12 HB2 -0.0021 0.0078 0.0085 162 GLU 12 HG3 -0.0081 0.0024 0.0054 163 GLU 12 HG2 -0.0089 0.0065 0.0098 164 SER 13 N -0.0003 0.0078 0.0046 165 SER 13 CA -0.0006 0.0086 0.0019 166 SER 13 C -0.0001 0.0086 0.0022 167 SER 13 O -0.0013 0.0090 0.0004 168 SER 13 CB 0.0015 0.0095 -0.0002 169 SER 13 OG 0.0044 0.0096 0.0005 170 SER 13 H 0.0016 0.0079 0.0053 171 SER 13 HA -0.0029 0.0086 0.0011 172 SER 13 HB3 0.0013 0.0095 -0.0002 173 SER 13 HB2 0.0009 0.0100 -0.0023 174 SER 13 HG 0.0046 0.0097 0.0005 175 ARG 14 N 0.0015 0.0081 0.0043 176 ARG 14 CA 0.0023 0.0081 0.0047 177 ARG 14 C -0.0002 0.0075 0.0057 178 ARG 14 O -0.0023 0.0069 0.0069 179 ARG 14 CB 0.0050 0.0079 0.0067 180 ARG 14 CG 0.0076 0.0085 0.0059 181 ARG 14 CD 0.0104 0.0088 0.0060 182 ARG 14 NE 0.0130 0.0092 0.0055 183 ARG 14 CZ 0.0138 0.0101 0.0030 184 ARG 14 NH1 0.0123 0.0106 0.0007 185 ARG 14 NH2 0.0162 0.0105 0.0027 186 ARG 14 H 0.0023 0.0078 0.0058 187 ARG 14 HA 0.0029 0.0088 0.0026 188 ARG 14 HB3 0.0056 0.0079 0.0068 189 ARG 14 HB2 0.0044 0.0072 0.0088 190 ARG 14 HG3 0.0078 0.0081 0.0073 191 ARG 14 HG2 0.0072 0.0090 0.0037 192 ARG 14 HD3 0.0102 0.0092 0.0045 193 ARG 14 HD2 0.0106 0.0082 0.0081 194 ARG 14 HE 0.0141 0.0089 0.0073 195 ARG 14 HH12 0.0130 0.0113 -0.0013 196 ARG 14 HH11 0.0105 0.0103 0.0009 197 ARG 14 HH22 0.0168 0.0112 0.0007 198 ARG 14 HH21 0.0173 0.0101 0.0044 199 CYS 15 N 0.0001 0.0073 0.0011 200 CYS 15 CA -0.0001 0.0065 0.0016 201 CYS 15 C -0.0005 0.0043 0.0030 202 CYS 15 O 0.0007 0.0033 0.0038 203 CYS 15 CB 0.0021 0.0071 0.0017 204 CYS 15 SG 0.0021 0.0061 0.0023 205 CYS 15 H 0.0014 0.0083 0.0008 206 CYS 15 HA -0.0014 0.0071 0.0010 207 CYS 15 HB3 0.0035 0.0067 0.0022 208 CYS 15 HB2 0.0024 0.0086 0.0007 209 CYS 16 N -0.0023 0.0036 0.0031 210 CYS 16 CA -0.0032 0.0016 0.0043 211 CYS 16 C -0.0044 0.0008 0.0046 212 CYS 16 O -0.0052 0.0019 0.0037 213 CYS 16 CB -0.0048 0.0014 0.0041 214 CYS 16 SG -0.0054 -0.0011 0.0056 215 CYS 16 H -0.0031 0.0045 0.0024 216 CYS 16 HA -0.0018 0.0008 0.0050 217 CYS 16 HB3 -0.0063 0.0020 0.0035 218 CYS 16 HB2 -0.0041 0.0022 0.0037 219 ARG 17 N -0.0138 -0.0032 -0.0020 220 ARG 17 CA -0.0132 -0.0023 -0.0022 221 ARG 17 C -0.0151 -0.0024 -0.0009 222 ARG 17 O -0.0163 -0.0044 -0.0005 223 ARG 17 CB -0.0115 -0.0037 -0.0038 224 ARG 17 CG -0.0106 -0.0025 -0.0041 225 ARG 17 CD -0.0090 -0.0040 -0.0057 226 ARG 17 NE -0.0099 -0.0066 -0.0057 227 ARG 17 CZ -0.0093 -0.0078 -0.0065 228 ARG 17 NH1 -0.0076 -0.0068 -0.0074 229 ARG 17 NH2 -0.0102 -0.0101 -0.0064 230 ARG 17 H -0.0140 -0.0051 -0.0024 231 ARG 17 HA -0.0125 -0.0003 -0.0022 232 ARG 17 HB3 -0.0123 -0.0057 -0.0038 233 ARG 17 HB2 -0.0103 -0.0038 -0.0047 234 ARG 17 HG3 -0.0098 -0.0006 -0.0042 235 ARG 17 HG2 -0.0119 -0.0024 -0.0032 236 ARG 17 HD3 -0.0077 -0.0041 -0.0066 237 ARG 17 HD2 -0.0083 -0.0030 -0.0059 238 ARG 17 HE -0.0112 -0.0074 -0.0050 239 ARG 17 HH12 -0.0071 -0.0077 -0.0080 240 ARG 17 HH11 -0.0069 -0.0050 -0.0074 241 ARG 17 HH22 -0.0097 -0.0111 -0.0070 242 ARG 17 HH21 -0.0115 -0.0109 -0.0057 243 TYR 18 N -0.0154 -0.0002 -0.0001 244 TYR 18 CA -0.0171 0.0000 0.0012 245 TYR 18 C -0.0162 0.0005 0.0007 246 TYR 18 O -0.0144 0.0015 -0.0003 247 TYR 18 CB -0.0183 0.0021 0.0026 248 TYR 18 CG -0.0196 0.0016 0.0034 249 TYR 18 CD1 -0.0186 0.0021 0.0028 250 TYR 18 CD2 -0.0218 0.0006 0.0047 251 TYR 18 CE1 -0.0197 0.0016 0.0035 252 TYR 18 CE2 -0.0229 0.0001 0.0054 253 TYR 18 CZ -0.0219 0.0006 0.0048 254 TYR 18 OH -0.0230 0.0001 0.0054 255 TYR 18 H -0.0144 0.0014 -0.0004 256 TYR 18 HA -0.0182 -0.0018 0.0015 257 TYR 18 HB3 -0.0194 0.0025 0.0035 258 TYR 18 HB2 -0.0172 0.0039 0.0023 259 TYR 18 HD1 -0.0169 0.0028 0.0018 260 TYR 18 HD2 -0.0226 0.0002 0.0051 261 TYR 18 HE1 -0.0190 0.0019 0.0030 262 TYR 18 HE2 -0.0246 -0.0007 0.0064 263 TYR 18 HH -0.0221 0.0005 0.0049 264 PRO 19 N -0.0186 -0.0049 -0.0038 265 PRO 19 CA -0.0152 -0.0032 -0.0056 266 PRO 19 C -0.0120 -0.0027 -0.0027 267 PRO 19 O -0.0118 -0.0034 0.0006 268 PRO 19 CB -0.0145 -0.0025 -0.0074 269 PRO 19 CG -0.0163 -0.0038 -0.0049 270 PRO 19 CD -0.0196 -0.0053 -0.0035 271 PRO 19 HA -0.0156 -0.0028 -0.0078 272 PRO 19 HB3 -0.0158 -0.0023 -0.0103 273 PRO 19 HB2 -0.0115 -0.0014 -0.0072 274 PRO 19 HG3 -0.0172 -0.0037 -0.0065 275 PRO 19 HG2 -0.0144 -0.0037 -0.0024 276 PRO 19 HD2 -0.0200 -0.0062 -0.0006 277 PRO 19 HD3 -0.0220 -0.0057 -0.0056 278 LEU 20 N -0.0094 -0.0014 -0.0040 279 LEU 20 CA -0.0060 -0.0007 -0.0018 280 LEU 20 C -0.0031 0.0010 -0.0044 281 LEU 20 O -0.0036 0.0014 -0.0065 282 LEU 20 CB -0.0067 -0.0016 0.0011 283 LEU 20 CG -0.0031 -0.0008 0.0032 284 LEU 20 CD1 -0.0014 -0.0008 0.0059 285 LEU 20 CD2 -0.0037 -0.0015 0.0054 286 LEU 20 H -0.0098 -0.0009 -0.0067 287 LEU 20 HA -0.0050 -0.0007 -0.0002 288 LEU 20 HB3 -0.0081 -0.0018 -0.0004 289 LEU 20 HB2 -0.0086 -0.0028 0.0032 290 LEU 20 HG -0.0012 0.0005 0.0010 291 LEU 20 HD11 0.0012 -0.0002 0.0074 292 LEU 20 HD12 -0.0008 -0.0002 0.0042 293 LEU 20 HD13 -0.0033 -0.0020 0.0080 294 LEU 20 HD21 -0.0011 -0.0009 0.0068 295 LEU 20 HD22 -0.0057 -0.0028 0.0075 296 LEU 20 HD23 -0.0048 -0.0014 0.0034 297 THR 21 N -0.0025 0.0027 -0.0116 298 THR 21 CA -0.0006 0.0022 -0.0125 299 THR 21 C 0.0010 0.0025 -0.0110 300 THR 21 O 0.0009 0.0030 -0.0099 301 THR 21 CB -0.0005 0.0016 -0.0140 302 THR 21 OG1 -0.0020 0.0012 -0.0154 303 THR 21 CG2 0.0014 0.0010 -0.0148 304 THR 21 H -0.0032 0.0029 -0.0114 305 THR 21 HA -0.0004 0.0019 -0.0131 306 THR 21 HB -0.0009 0.0019 -0.0134 307 THR 21 HG1 -0.0017 0.0010 -0.0159 308 THR 21 HG21 0.0015 0.0006 -0.0159 309 THR 21 HG22 0.0026 0.0013 -0.0137 310 THR 21 HG23 0.0018 0.0008 -0.0154 311 VAL 22 N 0.0025 0.0023 -0.0110 312 VAL 22 CA 0.0042 0.0026 -0.0098 313 VAL 22 C 0.0058 0.0020 -0.0109 314 VAL 22 O 0.0063 0.0014 -0.0124 315 VAL 22 CB 0.0049 0.0028 -0.0090 316 VAL 22 CG1 0.0070 0.0029 -0.0081 317 VAL 22 CG2 0.0035 0.0035 -0.0076 318 VAL 22 H 0.0024 0.0020 -0.0119 319 VAL 22 HA 0.0039 0.0031 -0.0087 320 VAL 22 HB 0.0049 0.0024 -0.0101 321 VAL 22 HG11 0.0074 0.0031 -0.0076 322 VAL 22 HG12 0.0080 0.0024 -0.0092 323 VAL 22 HG13 0.0070 0.0033 -0.0070 324 VAL 22 HG21 0.0040 0.0037 -0.0070 325 VAL 22 HG22 0.0034 0.0040 -0.0065 326 VAL 22 HG23 0.0020 0.0034 -0.0083 327 ASP 23 N -0.0043 0.0026 -0.0122 328 ASP 23 CA -0.0050 0.0002 -0.0125 329 ASP 23 C -0.0040 0.0002 -0.0118 330 ASP 23 O -0.0046 0.0017 -0.0123 331 ASP 23 CB -0.0077 -0.0001 -0.0140 332 ASP 23 CG -0.0085 -0.0027 -0.0143 333 ASP 23 OD1 -0.0081 -0.0032 -0.0140 334 ASP 23 OD2 -0.0097 -0.0044 -0.0148 335 ASP 23 H -0.0050 0.0044 -0.0128 336 ASP 23 HA -0.0044 -0.0016 -0.0120 337 ASP 23 HB3 -0.0083 0.0016 -0.0145 338 ASP 23 HB2 -0.0085 0.0001 -0.0145 339 PHE 24 N -0.0023 -0.0016 -0.0107 340 PHE 24 CA -0.0011 -0.0016 -0.0100 341 PHE 24 C -0.0026 -0.0025 -0.0109 342 PHE 24 O -0.0023 -0.0014 -0.0107 343 PHE 24 CB 0.0010 -0.0035 -0.0086 344 PHE 24 CG 0.0029 -0.0024 -0.0076 345 PHE 24 CD1 0.0039 0.0001 -0.0072 346 PHE 24 CD2 0.0035 -0.0040 -0.0071 347 PHE 24 CE1 0.0056 0.0011 -0.0063 348 PHE 24 CE2 0.0053 -0.0030 -0.0062 349 PHE 24 CZ 0.0063 -0.0005 -0.0058 350 PHE 24 H -0.0019 -0.0030 -0.0104 351 PHE 24 HA -0.0004 0.0004 -0.0098 352 PHE 24 HB3 0.0018 -0.0037 -0.0082 353 PHE 24 HB2 0.0004 -0.0055 -0.0088 354 PHE 24 HD1 0.0034 0.0014 -0.0076 355 PHE 24 HD2 0.0027 -0.0060 -0.0074 356 PHE 24 HE1 0.0064 0.0031 -0.0060 357 PHE 24 HE2 0.0058 -0.0042 -0.0058 358 PHE 24 HZ 0.0076 0.0003 -0.0051 359 GLU 25 N -0.0085 -0.0038 -0.0137 360 GLU 25 CA -0.0105 -0.0054 -0.0152 361 GLU 25 C -0.0134 -0.0013 -0.0166 362 GLU 25 O -0.0136 -0.0008 -0.0167 363 GLU 25 CB -0.0130 -0.0099 -0.0175 364 GLU 25 CG -0.0113 -0.0138 -0.0169 365 GLU 25 CD -0.0141 -0.0179 -0.0194 366 GLU 25 OE1 -0.0175 -0.0171 -0.0215 367 GLU 25 OE2 -0.0130 -0.0220 -0.0192 368 GLU 25 H -0.0093 -0.0052 -0.0144 369 GLU 25 HA -0.0081 -0.0065 -0.0138 370 GLU 25 HB3 -0.0137 -0.0116 -0.0182 371 GLU 25 HB2 -0.0161 -0.0086 -0.0194 372 GLU 25 HG3 -0.0108 -0.0122 -0.0164 373 GLU 25 HG2 -0.0083 -0.0153 -0.0151 374 ALA 26 N -0.0155 0.0016 -0.0176 375 ALA 26 CA -0.0183 0.0057 -0.0189 376 ALA 26 C -0.0159 0.0097 -0.0168 377 ALA 26 O -0.0177 0.0133 -0.0175 378 ALA 26 CB -0.0209 0.0078 -0.0203 379 ALA 26 H -0.0151 0.0010 -0.0174 380 ALA 26 HA -0.0203 0.0043 -0.0205 381 ALA 26 HB1 -0.0230 0.0108 -0.0213 382 ALA 26 HB2 -0.0227 0.0049 -0.0219 383 ALA 26 HB3 -0.0189 0.0091 -0.0188 384 PHE 27 N -0.0041 0.0083 -0.0037 385 PHE 27 CA -0.0022 0.0111 -0.0044 386 PHE 27 C -0.0026 0.0111 -0.0044 387 PHE 27 O -0.0020 0.0136 -0.0050 388 PHE 27 CB 0.0015 0.0111 -0.0040 389 PHE 27 CG 0.0021 0.0114 -0.0040 390 PHE 27 CD1 -0.0005 0.0118 -0.0044 391 PHE 27 CD2 0.0054 0.0113 -0.0037 392 PHE 27 CE1 0.0001 0.0121 -0.0044 393 PHE 27 CE2 0.0060 0.0116 -0.0037 394 PHE 27 CZ 0.0033 0.0120 -0.0041 395 PHE 27 H -0.0030 0.0061 -0.0030 396 PHE 27 HA -0.0033 0.0133 -0.0051 397 PHE 27 HB3 0.0029 0.0130 -0.0044 398 PHE 27 HB2 0.0026 0.0088 -0.0032 399 PHE 27 HD1 -0.0031 0.0119 -0.0047 400 PHE 27 HD2 0.0074 0.0109 -0.0034 401 PHE 27 HE1 -0.0020 0.0125 -0.0047 402 PHE 27 HE2 0.0085 0.0115 -0.0034 403 PHE 27 HZ 0.0038 0.0122 -0.0041 404 GLY 28 N -0.0036 0.0083 -0.0037 405 GLY 28 CA -0.0041 0.0079 -0.0036 406 GLY 28 C -0.0011 0.0066 -0.0030 407 GLY 28 O -0.0012 0.0064 -0.0029 408 GLY 28 H -0.0039 0.0063 -0.0032 409 GLY 28 HA3 -0.0048 0.0103 -0.0044 410 GLY 28 HA2 -0.0063 0.0064 -0.0034 411 TRP 29 N -0.0018 0.0060 -0.0028 412 TRP 29 CA 0.0009 0.0053 -0.0026 413 TRP 29 C 0.0007 0.0026 -0.0017 414 TRP 29 O 0.0015 0.0005 -0.0010 415 TRP 29 CB 0.0033 0.0053 -0.0026 416 TRP 29 CG 0.0037 0.0079 -0.0034 417 TRP 29 CD1 0.0022 0.0102 -0.0041 418 TRP 29 CD2 0.0057 0.0084 -0.0035 419 TRP 29 NE1 0.0031 0.0122 -0.0048 420 TRP 29 CE2 0.0053 0.0111 -0.0044 421 TRP 29 CE3 0.0078 0.0069 -0.0031 422 TRP 29 CZ2 0.0069 0.0123 -0.0048 423 TRP 29 CZ3 0.0094 0.0081 -0.0034 424 TRP 29 CH2 0.0089 0.0108 -0.0043 425 TRP 29 H -0.0019 0.0057 -0.0027 426 TRP 29 HA 0.0013 0.0069 -0.0031 427 TRP 29 HB3 0.0053 0.0048 -0.0024 428 TRP 29 HB2 0.0030 0.0036 -0.0020 429 TRP 29 HD1 0.0005 0.0103 -0.0042 430 TRP 29 HE1 0.0022 0.0140 -0.0053 431 TRP 29 HE3 0.0082 0.0048 -0.0024 432 TRP 29 HZ2 0.0065 0.0144 -0.0054 433 TRP 29 HZ3 0.0111 0.0069 -0.0031 434 TRP 29 HH2 0.0103 0.0116 -0.0045 435 ASP 30 N -0.0001 0.0027 -0.0018 436 ASP 30 CA -0.0004 0.0003 -0.0010 437 ASP 30 C 0.0025 -0.0009 -0.0006 438 ASP 30 O 0.0027 -0.0032 0.0001 439 ASP 30 CB -0.0022 0.0008 -0.0011 440 ASP 30 CG -0.0009 0.0028 -0.0018 441 ASP 30 OD1 0.0001 0.0050 -0.0025 442 ASP 30 OD2 -0.0008 0.0023 -0.0016 443 ASP 30 H -0.0006 0.0045 -0.0023 444 ASP 30 HA -0.0015 -0.0013 -0.0005 445 ASP 30 HB3 -0.0043 0.0015 -0.0014 446 ASP 30 HB2 -0.0026 -0.0011 -0.0005 447 TRP 31 N -0.0009 0.0040 0.0025 448 TRP 31 CA 0.0017 0.0032 0.0016 449 TRP 31 C 0.0026 0.0005 0.0017 450 TRP 31 O 0.0046 -0.0006 0.0011 451 TRP 31 CB 0.0035 0.0053 0.0005 452 TRP 31 CG 0.0033 0.0063 0.0004 453 TRP 31 CD1 0.0017 0.0083 0.0007 454 TRP 31 CD2 0.0049 0.0053 -0.0000 455 TRP 31 NE1 0.0022 0.0086 0.0004 456 TRP 31 CE2 0.0041 0.0068 -0.0000 457 TRP 31 CE3 0.0069 0.0033 -0.0005 458 TRP 31 CZ2 0.0052 0.0063 -0.0004 459 TRP 31 CZ3 0.0080 0.0029 -0.0008 460 TRP 31 CH2 0.0071 0.0043 -0.0008 461 TRP 31 H -0.0013 0.0055 0.0024 462 TRP 31 HA 0.0017 0.0029 0.0016 463 TRP 31 HB3 0.0031 0.0070 0.0003 464 TRP 31 HB2 0.0054 0.0046 -0.0001 465 TRP 31 HD1 0.0003 0.0093 0.0010 466 TRP 31 HE1 0.0011 0.0099 0.0006 467 TRP 31 HE3 0.0075 0.0022 -0.0005 468 TRP 31 HZ2 0.0046 0.0075 -0.0003 469 TRP 31 HZ3 0.0095 0.0013 -0.0012 470 TRP 31 HH2 0.0081 0.0039 -0.0011 471 ILE 32 N 0.0011 -0.0004 0.0025 472 ILE 32 CA 0.0016 -0.0031 0.0028 473 ILE 32 C -0.0001 -0.0050 0.0038 474 ILE 32 O -0.0024 -0.0046 0.0047 475 ILE 32 CB 0.0011 -0.0033 0.0030 476 ILE 32 CG1 0.0032 -0.0020 0.0020 477 ILE 32 CG2 0.0009 -0.0062 0.0036 478 ILE 32 CD1 0.0024 -0.0012 0.0021 479 ILE 32 H -0.0004 0.0008 0.0028 480 ILE 32 HA 0.0035 -0.0037 0.0021 481 ILE 32 HB -0.0007 -0.0021 0.0035 482 ILE 32 HG13 0.0038 -0.0003 0.0014 483 ILE 32 HG12 0.0048 -0.0035 0.0016 484 ILE 32 HG21 0.0005 -0.0063 0.0038 485 ILE 32 HG22 -0.0006 -0.0070 0.0044 486 ILE 32 HG23 0.0027 -0.0073 0.0031 487 ILE 32 HD11 0.0040 -0.0004 0.0013 488 ILE 32 HD12 0.0008 0.0003 0.0025 489 ILE 32 HD13 0.0019 -0.0030 0.0027 490 ILE 33 N -0.0046 -0.0050 0.0063 491 ILE 33 CA -0.0064 -0.0074 0.0078 492 ILE 33 C -0.0069 -0.0101 0.0089 493 ILE 33 O -0.0096 -0.0110 0.0102 494 ILE 33 CB -0.0046 -0.0089 0.0077 495 ILE 33 CG1 -0.0043 -0.0063 0.0066 496 ILE 33 CG2 -0.0064 -0.0116 0.0093 497 ILE 33 CD1 -0.0018 -0.0072 0.0061 498 ILE 33 H -0.0022 -0.0053 0.0055 499 ILE 33 HA -0.0087 -0.0063 0.0082 500 ILE 33 HB -0.0022 -0.0100 0.0072 501 ILE 33 HG13 -0.0037 -0.0041 0.0056 502 ILE 33 HG12 -0.0066 -0.0055 0.0072 503 ILE 33 HG21 -0.0051 -0.0126 0.0092 504 ILE 33 HG22 -0.0065 -0.0135 0.0100 505 ILE 33 HG23 -0.0089 -0.0106 0.0098 506 ILE 33 HD11 -0.0017 -0.0052 0.0053 507 ILE 33 HD12 0.0006 -0.0078 0.0054 508 ILE 33 HD13 -0.0025 -0.0093 0.0070 509 ALA 34 N -0.0043 -0.0113 0.0084 510 ALA 34 CA -0.0044 -0.0139 0.0094 511 ALA 34 C -0.0017 -0.0138 0.0084 512 ALA 34 O 0.0010 -0.0130 0.0072 513 ALA 34 CB -0.0042 -0.0172 0.0105 514 ALA 34 H -0.0021 -0.0105 0.0074 515 ALA 34 HA -0.0067 -0.0134 0.0100 516 ALA 34 HB1 -0.0043 -0.0190 0.0112 517 ALA 34 HB2 -0.0063 -0.0172 0.0112 518 ALA 34 HB3 -0.0020 -0.0176 0.0099 519 PRO 35 N -0.0006 -0.0107 -0.0011 520 PRO 35 CA -0.0018 -0.0107 -0.0027 521 PRO 35 C -0.0033 -0.0102 -0.0057 522 PRO 35 O -0.0031 -0.0094 -0.0066 523 PRO 35 CB 0.0004 -0.0088 -0.0026 524 PRO 35 CG 0.0023 -0.0071 -0.0024 525 PRO 35 CD 0.0019 -0.0086 -0.0007 526 PRO 35 HA -0.0028 -0.0123 -0.0017 527 PRO 35 HB3 0.0010 -0.0094 -0.0007 528 PRO 35 HB2 -0.0000 -0.0079 -0.0045 529 PRO 35 HG3 0.0041 -0.0062 -0.0013 530 PRO 35 HG2 0.0020 -0.0060 -0.0044 531 PRO 35 HD2 0.0022 -0.0077 -0.0016 532 PRO 35 HD3 0.0030 -0.0090 0.0015 533 LYS 36 N -0.0048 -0.0106 -0.0071 534 LYS 36 CA -0.0063 -0.0102 -0.0100 535 LYS 36 C -0.0049 -0.0076 -0.0118 536 LYS 36 O -0.0054 -0.0067 -0.0141 537 LYS 36 CB -0.0085 -0.0116 -0.0109 538 LYS 36 CG -0.0101 -0.0142 -0.0092 539 LYS 36 CD -0.0114 -0.0150 -0.0099 540 LYS 36 CE -0.0130 -0.0175 -0.0083 541 LYS 36 NZ -0.0136 -0.0182 -0.0082 542 LYS 36 H -0.0049 -0.0113 -0.0063 543 LYS 36 HA -0.0070 -0.0106 -0.0102 544 LYS 36 HB3 -0.0095 -0.0112 -0.0131 545 LYS 36 HB2 -0.0079 -0.0111 -0.0107 546 LYS 36 HG3 -0.0114 -0.0151 -0.0097 547 LYS 36 HG2 -0.0090 -0.0146 -0.0071 548 LYS 36 HD3 -0.0101 -0.0140 -0.0095 549 LYS 36 HD2 -0.0125 -0.0146 -0.0121 550 LYS 36 HE3 -0.0146 -0.0184 -0.0092 551 LYS 36 HE2 -0.0120 -0.0180 -0.0062 552 LYS 36 HZ1 -0.0121 -0.0173 -0.0074 553 LYS 36 HZ2 -0.0147 -0.0199 -0.0071 554 LYS 36 HZ3 -0.0145 -0.0177 -0.0102 555 ARG 37 N -0.0011 -0.0082 -0.0154 556 ARG 37 CA -0.0011 -0.0061 -0.0159 557 ARG 37 C 0.0002 -0.0057 -0.0150 558 ARG 37 O 0.0007 -0.0073 -0.0141 559 ARG 37 CB -0.0029 -0.0058 -0.0175 560 ARG 37 CG -0.0034 -0.0068 -0.0177 561 ARG 37 CD -0.0051 -0.0064 -0.0193 562 ARG 37 NE -0.0063 -0.0067 -0.0202 563 ARG 37 CZ -0.0070 -0.0087 -0.0202 564 ARG 37 NH1 -0.0067 -0.0104 -0.0195 565 ARG 37 NH2 -0.0081 -0.0089 -0.0211 566 ARG 37 H -0.0006 -0.0093 -0.0147 567 ARG 37 HA -0.0007 -0.0049 -0.0159 568 ARG 37 HB3 -0.0038 -0.0066 -0.0181 569 ARG 37 HB2 -0.0030 -0.0041 -0.0180 570 ARG 37 HG3 -0.0024 -0.0060 -0.0171 571 ARG 37 HG2 -0.0033 -0.0085 -0.0172 572 ARG 37 HD3 -0.0051 -0.0047 -0.0196 573 ARG 37 HD2 -0.0056 -0.0074 -0.0194 574 ARG 37 HE -0.0066 -0.0054 -0.0207 575 ARG 37 HH12 -0.0072 -0.0119 -0.0195 576 ARG 37 HH11 -0.0059 -0.0103 -0.0188 577 ARG 37 HH22 -0.0086 -0.0104 -0.0211 578 ARG 37 HH21 -0.0084 -0.0076 -0.0217 579 TYR 38 N 0.0006 -0.0037 -0.0151 580 TYR 38 CA 0.0018 -0.0031 -0.0143 581 TYR 38 C 0.0018 -0.0009 -0.0149 582 TYR 38 O 0.0011 0.0004 -0.0158 583 TYR 38 CB 0.0037 -0.0033 -0.0127 584 TYR 38 CG 0.0046 -0.0014 -0.0124 585 TYR 38 CD1 0.0042 -0.0010 -0.0128 586 TYR 38 CD2 0.0059 0.0001 -0.0117 587 TYR 38 CE1 0.0051 0.0008 -0.0126 588 TYR 38 CE2 0.0067 0.0018 -0.0115 589 TYR 38 CZ 0.0063 0.0022 -0.0119 590 TYR 38 OH 0.0072 0.0040 -0.0116 591 TYR 38 H 0.0001 -0.0025 -0.0159 592 TYR 38 HA 0.0015 -0.0043 -0.0142 593 TYR 38 HB3 0.0036 -0.0048 -0.0124 594 TYR 38 HB2 0.0044 -0.0037 -0.0120 595 TYR 38 HD1 0.0033 -0.0021 -0.0134 596 TYR 38 HD2 0.0062 -0.0002 -0.0114 597 TYR 38 HE1 0.0048 0.0011 -0.0129 598 TYR 38 HE2 0.0077 0.0029 -0.0109 599 TYR 38 HH 0.0081 0.0047 -0.0111 600 LYS 39 N 0.0028 -0.0006 -0.0222 601 LYS 39 CA -0.0012 -0.0002 -0.0202 602 LYS 39 C -0.0018 0.0003 -0.0176 603 LYS 39 O -0.0024 -0.0000 -0.0191 604 LYS 39 CB -0.0046 -0.0008 -0.0234 605 LYS 39 CG -0.0046 -0.0013 -0.0257 606 LYS 39 CD -0.0081 -0.0019 -0.0288 607 LYS 39 CE -0.0064 -0.0027 -0.0332 608 LYS 39 NZ -0.0047 -0.0029 -0.0341 609 LYS 39 H 0.0030 -0.0011 -0.0250 610 LYS 39 HA -0.0014 0.0002 -0.0183 611 LYS 39 HB3 -0.0076 -0.0006 -0.0219 612 LYS 39 HB2 -0.0043 -0.0012 -0.0255 613 LYS 39 HG3 -0.0017 -0.0016 -0.0273 614 LYS 39 HG2 -0.0049 -0.0009 -0.0236 615 LYS 39 HD3 -0.0098 -0.0018 -0.0284 616 LYS 39 HD2 -0.0102 -0.0018 -0.0283 617 LYS 39 HE3 -0.0041 -0.0028 -0.0336 618 LYS 39 HE2 -0.0089 -0.0031 -0.0353 619 LYS 39 HZ1 -0.0028 -0.0024 -0.0319 620 LYS 39 HZ2 -0.0070 -0.0030 -0.0344 621 LYS 39 HZ3 -0.0031 -0.0034 -0.0367 622 ALA 40 N -0.0015 0.0010 -0.0136 623 ALA 40 CA -0.0019 0.0016 -0.0108 624 ALA 40 C -0.0064 0.0018 -0.0094 625 ALA 40 O -0.0077 0.0020 -0.0087 626 ALA 40 CB 0.0009 0.0023 -0.0072 627 ALA 40 H -0.0010 0.0013 -0.0125 628 ALA 40 HA -0.0010 0.0013 -0.0123 629 ALA 40 HB1 0.0005 0.0027 -0.0051 630 ALA 40 HB2 0.0041 0.0021 -0.0082 631 ALA 40 HB3 0.0000 0.0026 -0.0056 632 ASN 41 N -0.0070 -0.0002 -0.0062 633 ASN 41 CA -0.0099 -0.0015 -0.0048 634 ASN 41 C -0.0105 -0.0022 -0.0020 635 ASN 41 O -0.0088 -0.0018 -0.0013 636 ASN 41 CB -0.0125 -0.0020 -0.0074 637 ASN 41 CG -0.0119 -0.0012 -0.0104 638 ASN 41 OD1 -0.0115 -0.0011 -0.0105 639 ASN 41 ND2 -0.0118 -0.0008 -0.0131 640 ASN 41 H -0.0054 0.0003 -0.0062 641 ASN 41 HA -0.0097 -0.0016 -0.0040 642 ASN 41 HB3 -0.0146 -0.0029 -0.0064 643 ASN 41 HB2 -0.0130 -0.0021 -0.0079 644 ASN 41 HD22 -0.0114 -0.0002 -0.0152 645 ASN 41 HD21 -0.0122 -0.0009 -0.0129 646 TYR 42 N -0.0129 -0.0034 -0.0003 647 TYR 42 CA -0.0137 -0.0041 0.0024 648 TYR 42 C -0.0171 -0.0054 0.0031 649 TYR 42 O -0.0185 -0.0057 0.0019 650 TYR 42 CB -0.0116 -0.0039 0.0054 651 TYR 42 CG -0.0120 -0.0043 0.0068 652 TYR 42 CD1 -0.0108 -0.0036 0.0053 653 TYR 42 CD2 -0.0135 -0.0053 0.0095 654 TYR 42 CE1 -0.0111 -0.0040 0.0066 655 TYR 42 CE2 -0.0139 -0.0057 0.0109 656 TYR 42 CZ -0.0126 -0.0050 0.0094 657 TYR 42 OH -0.0130 -0.0053 0.0107 658 TYR 42 H -0.0141 -0.0037 -0.0009 659 TYR 42 HA -0.0135 -0.0039 0.0017 660 TYR 42 HB3 -0.0093 -0.0030 0.0048 661 TYR 42 HB2 -0.0120 -0.0044 0.0072 662 TYR 42 HD1 -0.0096 -0.0028 0.0032 663 TYR 42 HD2 -0.0145 -0.0059 0.0107 664 TYR 42 HE1 -0.0102 -0.0034 0.0055 665 TYR 42 HE2 -0.0150 -0.0065 0.0130 666 TYR 42 HH -0.0133 -0.0058 0.0129 667 CYS 43 N -0.0093 0.0009 0.0061 668 CYS 43 CA -0.0108 -0.0003 0.0065 669 CYS 43 C -0.0126 0.0011 0.0089 670 CYS 43 O -0.0119 0.0035 0.0101 671 CYS 43 CB -0.0091 -0.0002 0.0052 672 CYS 43 SG -0.0070 -0.0019 0.0023 673 CYS 43 H -0.0078 0.0025 0.0061 674 CYS 43 HA -0.0119 -0.0023 0.0059 675 CYS 43 HB3 -0.0103 -0.0011 0.0055 676 CYS 43 HB2 -0.0081 0.0018 0.0058 677 SER 44 N -0.0148 -0.0005 0.0096 678 SER 44 CA -0.0167 0.0006 0.0119 679 SER 44 C -0.0187 -0.0014 0.0120 680 SER 44 O -0.0195 -0.0037 0.0110 681 SER 44 CB -0.0179 0.0014 0.0134 682 SER 44 OG -0.0198 0.0023 0.0156 683 SER 44 H -0.0153 -0.0024 0.0086 684 SER 44 HA -0.0158 0.0023 0.0123 685 SER 44 HB3 -0.0187 -0.0002 0.0129 686 SER 44 HB2 -0.0164 0.0030 0.0134 687 SER 44 HG -0.0191 0.0042 0.0164 688 GLY 45 N -0.0094 0.0049 0.0094 689 GLY 45 CA -0.0064 0.0050 0.0093 690 GLY 45 C -0.0033 0.0070 0.0067 691 GLY 45 O -0.0030 0.0081 0.0053 692 GLY 45 H -0.0102 0.0065 0.0073 693 GLY 45 HA3 -0.0050 0.0032 0.0116 694 GLY 45 HA2 -0.0080 0.0053 0.0088 695 GLN 46 N -0.0008 0.0075 0.0062 696 GLN 46 CA 0.0022 0.0095 0.0037 697 GLN 46 C 0.0060 0.0086 0.0048 698 GLN 46 O 0.0071 0.0065 0.0076 699 GLN 46 CB 0.0034 0.0104 0.0025 700 GLN 46 CG -0.0002 0.0113 0.0013 701 GLN 46 CD -0.0024 0.0134 -0.0015 702 GLN 46 OE1 -0.0006 0.0154 -0.0040 703 GLN 46 NE2 -0.0062 0.0130 -0.0010 704 GLN 46 H -0.0010 0.0065 0.0075 705 GLN 46 HA 0.0010 0.0110 0.0016 706 GLN 46 HB3 0.0057 0.0119 0.0007 707 GLN 46 HB2 0.0049 0.0089 0.0045 708 GLN 46 HG3 0.0009 0.0118 0.0006 709 GLN 46 HG2 -0.0023 0.0097 0.0033 710 GLN 46 HE22 -0.0078 0.0144 -0.0028 711 GLN 46 HE21 -0.0076 0.0114 0.0011 712 CYS 47 N 0.0098 0.0070 0.0031 713 CYS 47 CA 0.0097 0.0070 0.0030 714 CYS 47 C 0.0100 0.0066 0.0027 715 CYS 47 O 0.0098 0.0064 0.0023 716 CYS 47 CB 0.0092 0.0071 0.0029 717 CYS 47 SG 0.0089 0.0075 0.0032 718 CYS 47 H 0.0097 0.0069 0.0029 719 CYS 47 HA 0.0098 0.0071 0.0033 720 CYS 47 HB3 0.0092 0.0070 0.0027 721 CYS 47 HB2 0.0091 0.0070 0.0026 722 GLU 48 N 0.0104 0.0066 0.0029 723 GLU 48 CA 0.0107 0.0063 0.0026 724 GLU 48 C 0.0108 0.0062 0.0027 725 GLU 48 O 0.0108 0.0065 0.0030 726 GLU 48 CB 0.0112 0.0061 0.0027 727 GLU 48 CG 0.0112 0.0061 0.0026 728 GLU 48 CD 0.0115 0.0061 0.0029 729 GLU 48 OE1 0.0119 0.0061 0.0031 730 GLU 48 OE2 0.0115 0.0061 0.0029 731 GLU 48 H 0.0105 0.0067 0.0032 732 GLU 48 HA 0.0106 0.0061 0.0023 733 GLU 48 HB3 0.0114 0.0059 0.0026 734 GLU 48 HB2 0.0113 0.0063 0.0030 735 GLU 48 HG3 0.0108 0.0062 0.0026 736 GLU 48 HG2 0.0112 0.0058 0.0023 737 TYR 49 N 0.0093 -0.0017 0.0078 738 TYR 49 CA 0.0048 -0.0015 0.0060 739 TYR 49 C 0.0038 0.0004 0.0033 740 TYR 49 O 0.0046 -0.0000 0.0041 741 TYR 49 CB 0.0042 -0.0004 0.0044 742 TYR 49 CG -0.0004 -0.0005 0.0030 743 TYR 49 CD1 -0.0036 -0.0030 0.0052 744 TYR 49 CD2 -0.0016 0.0020 -0.0005 745 TYR 49 CE1 -0.0078 -0.0030 0.0039 746 TYR 49 CE2 -0.0058 0.0019 -0.0018 747 TYR 49 CZ -0.0089 -0.0006 0.0004 748 TYR 49 OH -0.0131 -0.0006 -0.0009 749 TYR 49 H 0.0099 -0.0036 0.0104 750 TYR 49 HA 0.0027 -0.0036 0.0080 751 TYR 49 HB3 0.0062 0.0018 0.0023 752 TYR 49 HB2 0.0056 -0.0015 0.0063 753 TYR 49 HD1 -0.0028 -0.0049 0.0079 754 TYR 49 HD2 0.0008 0.0040 -0.0023 755 TYR 49 HE1 -0.0103 -0.0050 0.0056 756 TYR 49 HE2 -0.0066 0.0039 -0.0045 757 TYR 49 HH -0.0148 -0.0025 0.0010 758 MET 50 N 0.0021 0.0025 0.0001 759 MET 50 CA 0.0009 0.0044 -0.0028 760 MET 50 C 0.0036 0.0074 -0.0058 761 MET 50 O 0.0026 0.0094 -0.0086 762 MET 50 CB -0.0040 0.0044 -0.0043 763 MET 50 CG -0.0070 0.0015 -0.0016 764 MET 50 SD -0.0126 0.0016 -0.0036 765 MET 50 CE -0.0134 0.0036 -0.0064 766 MET 50 H 0.0016 0.0028 -0.0005 767 MET 50 HA 0.0014 0.0038 -0.0018 768 MET 50 HB3 -0.0048 0.0058 -0.0064 769 MET 50 HB2 -0.0045 0.0053 -0.0057 770 MET 50 HG3 -0.0061 0.0001 0.0005 771 MET 50 HG2 -0.0067 0.0006 -0.0004 772 MET 50 HE1 -0.0167 0.0039 -0.0079 773 MET 50 HE2 -0.0111 0.0057 -0.0083 774 MET 50 HE3 -0.0129 0.0025 -0.0049 775 PHE 51 N 0.0097 0.0073 -0.0012 776 PHE 51 CA 0.0098 0.0072 -0.0014 777 PHE 51 C 0.0098 0.0069 -0.0013 778 PHE 51 O 0.0098 0.0067 -0.0012 779 PHE 51 CB 0.0099 0.0072 -0.0018 780 PHE 51 CG 0.0099 0.0075 -0.0019 781 PHE 51 CD1 0.0099 0.0078 -0.0019 782 PHE 51 CD2 0.0100 0.0075 -0.0021 783 PHE 51 CE1 0.0099 0.0081 -0.0020 784 PHE 51 CE2 0.0100 0.0077 -0.0023 785 PHE 51 CZ 0.0099 0.0081 -0.0022 786 PHE 51 H 0.0098 0.0073 -0.0013 787 PHE 51 HA 0.0097 0.0075 -0.0014 788 PHE 51 HB3 0.0099 0.0072 -0.0019 789 PHE 51 HB2 0.0099 0.0070 -0.0018 790 PHE 51 HD1 0.0098 0.0079 -0.0017 791 PHE 51 HD2 0.0100 0.0072 -0.0022 792 PHE 51 HE1 0.0098 0.0084 -0.0020 793 PHE 51 HE2 0.0100 0.0077 -0.0024 794 PHE 51 HZ 0.0100 0.0083 -0.0023 795 MET 52 N 0.0098 0.0070 -0.0013 796 MET 52 CA 0.0098 0.0067 -0.0012 797 MET 52 C 0.0097 0.0065 -0.0009 798 MET 52 O 0.0097 0.0062 -0.0008 799 MET 52 CB 0.0099 0.0064 -0.0015 800 MET 52 CG 0.0100 0.0066 -0.0018 801 MET 52 SD 0.0100 0.0068 -0.0019 802 MET 52 CE 0.0100 0.0065 -0.0020 803 MET 52 H 0.0097 0.0072 -0.0013 804 MET 52 HA 0.0098 0.0068 -0.0012 805 MET 52 HB3 0.0099 0.0063 -0.0014 806 MET 52 HB2 0.0099 0.0063 -0.0014 807 MET 52 HG3 0.0100 0.0064 -0.0020 808 MET 52 HG2 0.0100 0.0067 -0.0019 809 MET 52 HE1 0.0100 0.0066 -0.0020 810 MET 52 HE2 0.0101 0.0063 -0.0021 811 MET 52 HE3 0.0100 0.0063 -0.0017 812 GLN 53 N 0.0034 0.0048 -0.0093 813 GLN 53 CA 0.0033 0.0044 -0.0080 814 GLN 53 C 0.0024 0.0051 -0.0097 815 GLN 53 O 0.0006 0.0059 -0.0112 816 GLN 53 CB 0.0016 0.0036 -0.0057 817 GLN 53 CG 0.0028 0.0027 -0.0037 818 GLN 53 CD 0.0010 0.0020 -0.0014 819 GLN 53 OE1 -0.0007 0.0020 -0.0010 820 GLN 53 NE2 0.0015 0.0013 0.0000 821 GLN 53 H 0.0018 0.0051 -0.0095 822 GLN 53 HA 0.0053 0.0040 -0.0075 823 GLN 53 HB3 0.0011 0.0034 -0.0051 824 GLN 53 HB2 -0.0003 0.0040 -0.0062 825 GLN 53 HG3 0.0033 0.0029 -0.0044 826 GLN 53 HG2 0.0046 0.0023 -0.0032 827 GLN 53 HE22 0.0004 0.0008 0.0015 828 GLN 53 HE21 0.0029 0.0014 -0.0004 829 LYS 54 N 0.0035 0.0050 -0.0096 830 LYS 54 CA 0.0029 0.0057 -0.0112 831 LYS 54 C 0.0012 0.0053 -0.0100 832 LYS 54 O -0.0007 0.0059 -0.0109 833 LYS 54 CB 0.0055 0.0058 -0.0122 834 LYS 54 CG 0.0053 0.0063 -0.0135 835 LYS 54 CD 0.0080 0.0064 -0.0143 836 LYS 54 CE 0.0079 0.0071 -0.0160 837 LYS 54 NZ 0.0105 0.0070 -0.0163 838 LYS 54 H 0.0048 0.0043 -0.0083 839 LYS 54 HA 0.0019 0.0064 -0.0128 840 LYS 54 HB3 0.0069 0.0051 -0.0107 841 LYS 54 HB2 0.0065 0.0062 -0.0135 842 LYS 54 HG3 0.0041 0.0071 -0.0151 843 LYS 54 HG2 0.0044 0.0059 -0.0122 844 LYS 54 HD3 0.0090 0.0057 -0.0127 845 LYS 54 HD2 0.0091 0.0066 -0.0151 846 LYS 54 HE3 0.0073 0.0079 -0.0178 847 LYS 54 HE2 0.0064 0.0070 -0.0154 848 LYS 54 HZ1 0.0119 0.0068 -0.0163 849 LYS 54 HZ2 0.0107 0.0063 -0.0148 850 LYS 54 HZ3 0.0105 0.0076 -0.0178 851 TYR 55 N 0.0007 0.0018 -0.0089 852 TYR 55 CA -0.0001 0.0015 -0.0083 853 TYR 55 C -0.0011 0.0009 -0.0071 854 TYR 55 O -0.0006 0.0006 -0.0063 855 TYR 55 CB 0.0011 0.0014 -0.0079 856 TYR 55 CG 0.0019 0.0019 -0.0091 857 TYR 55 CD1 0.0011 0.0024 -0.0102 858 TYR 55 CD2 0.0034 0.0020 -0.0090 859 TYR 55 CE1 0.0018 0.0029 -0.0113 860 TYR 55 CE2 0.0041 0.0026 -0.0101 861 TYR 55 CZ 0.0033 0.0030 -0.0113 862 TYR 55 OH 0.0040 0.0035 -0.0123 863 TYR 55 H 0.0016 0.0016 -0.0084 864 TYR 55 HA -0.0008 0.0018 -0.0091 865 TYR 55 HB3 0.0005 0.0011 -0.0073 866 TYR 55 HB2 0.0019 0.0011 -0.0071 867 TYR 55 HD1 -0.0001 0.0023 -0.0103 868 TYR 55 HD2 0.0041 0.0017 -0.0081 869 TYR 55 HE1 0.0011 0.0032 -0.0122 870 TYR 55 HE2 0.0053 0.0026 -0.0100 871 TYR 55 HH 0.0033 0.0037 -0.0129 872 PRO 56 N -0.0024 0.0008 -0.0071 873 PRO 56 CA -0.0035 0.0003 -0.0060 874 PRO 56 C -0.0030 -0.0003 -0.0046 875 PRO 56 O -0.0035 -0.0008 -0.0036 876 PRO 56 CB -0.0049 0.0004 -0.0065 877 PRO 56 CG -0.0043 0.0008 -0.0074 878 PRO 56 CD -0.0030 0.0012 -0.0081 879 PRO 56 HA -0.0038 0.0003 -0.0061 880 PRO 56 HB3 -0.0056 0.0006 -0.0071 881 PRO 56 HB2 -0.0054 -0.0001 -0.0056 882 PRO 56 HG3 -0.0051 0.0010 -0.0081 883 PRO 56 HG2 -0.0039 0.0005 -0.0067 884 PRO 56 HD2 -0.0021 0.0013 -0.0082 885 PRO 56 HD3 -0.0034 0.0015 -0.0090 886 HIS 57 N -0.0030 -0.0007 -0.0045 887 HIS 57 CA -0.0025 -0.0014 -0.0032 888 HIS 57 C -0.0014 -0.0020 -0.0016 889 HIS 57 O -0.0016 -0.0031 -0.0003 890 HIS 57 CB -0.0015 -0.0005 -0.0036 891 HIS 57 CG -0.0009 -0.0012 -0.0023 892 HIS 57 ND1 0.0007 -0.0013 -0.0011 893 HIS 57 CD2 -0.0017 -0.0018 -0.0021 894 HIS 57 CE1 0.0008 -0.0019 -0.0001 895 HIS 57 NE2 -0.0007 -0.0023 -0.0007 896 HIS 57 H -0.0027 0.0003 -0.0055 897 HIS 57 HA -0.0037 -0.0022 -0.0030 898 HIS 57 HB3 -0.0003 0.0004 -0.0039 899 HIS 57 HB2 -0.0023 -0.0001 -0.0047 900 HIS 57 HD2 -0.0030 -0.0019 -0.0029 901 HIS 57 HE1 0.0019 -0.0021 0.0009 902 HIS 57 HE2 -0.0010 -0.0028 -0.0003 903 THR 58 N -0.0002 -0.0013 -0.0017 904 THR 58 CA 0.0009 -0.0017 -0.0003 905 THR 58 C -0.0002 -0.0030 0.0007 906 THR 58 O 0.0002 -0.0039 0.0021 907 THR 58 CB 0.0020 -0.0007 -0.0009 908 THR 58 OG1 0.0031 0.0006 -0.0018 909 THR 58 CG2 0.0032 -0.0011 0.0006 910 THR 58 H -0.0001 -0.0004 -0.0028 911 THR 58 HA 0.0018 -0.0018 0.0005 912 THR 58 HB 0.0011 -0.0006 -0.0017 913 THR 58 HG1 0.0042 0.0006 -0.0011 914 THR 58 HG21 0.0040 -0.0004 0.0001 915 THR 58 HG22 0.0024 -0.0021 0.0012 916 THR 58 HG23 0.0041 -0.0012 0.0013 917 HIS 59 N -0.0057 -0.0035 -0.0009 918 HIS 59 CA -0.0078 -0.0042 0.0002 919 HIS 59 C -0.0082 -0.0043 0.0018 920 HIS 59 O -0.0092 -0.0045 0.0037 921 HIS 59 CB -0.0096 -0.0048 -0.0016 922 HIS 59 CG -0.0119 -0.0055 -0.0006 923 HIS 59 ND1 -0.0135 -0.0060 -0.0006 924 HIS 59 CD2 -0.0128 -0.0058 0.0006 925 HIS 59 CE1 -0.0153 -0.0065 0.0006 926 HIS 59 NE2 -0.0148 -0.0064 0.0013 927 HIS 59 H -0.0056 -0.0036 -0.0026 928 HIS 59 HA -0.0079 -0.0042 0.0012 929 HIS 59 HB3 -0.0094 -0.0048 -0.0028 930 HIS 59 HB2 -0.0094 -0.0048 -0.0027 931 HIS 59 HD2 -0.0118 -0.0055 0.0008 932 HIS 59 HE1 -0.0166 -0.0070 0.0007 933 HIS 59 HE2 -0.0157 -0.0067 0.0022 934 LEU 60 N -0.0073 -0.0040 0.0011 935 LEU 60 CA -0.0076 -0.0041 0.0025 936 LEU 60 C -0.0064 -0.0036 0.0047 937 LEU 60 O -0.0072 -0.0038 0.0064 938 LEU 60 CB -0.0070 -0.0039 0.0010 939 LEU 60 CG -0.0085 -0.0044 -0.0010 940 LEU 60 CD1 -0.0075 -0.0042 -0.0027 941 LEU 60 CD2 -0.0107 -0.0051 -0.0001 942 LEU 60 H -0.0065 -0.0038 -0.0004 943 LEU 60 HA -0.0094 -0.0046 0.0029 944 LEU 60 HB3 -0.0069 -0.0039 0.0021 945 LEU 60 HB2 -0.0053 -0.0034 0.0004 946 LEU 60 HG -0.0088 -0.0046 -0.0019 947 LEU 60 HD11 -0.0086 -0.0045 -0.0041 948 LEU 60 HD12 -0.0060 -0.0037 -0.0034 949 LEU 60 HD13 -0.0071 -0.0040 -0.0019 950 LEU 60 HD21 -0.0118 -0.0055 -0.0016 951 LEU 60 HD22 -0.0104 -0.0050 0.0008 952 LEU 60 HD23 -0.0114 -0.0053 0.0010 953 VAL 61 N -0.0034 -0.0054 0.0043 954 VAL 61 CA -0.0017 -0.0059 0.0065 955 VAL 61 C -0.0014 -0.0072 0.0086 956 VAL 61 O -0.0014 -0.0086 0.0106 957 VAL 61 CB 0.0009 -0.0041 0.0062 958 VAL 61 CG1 0.0028 -0.0046 0.0086 959 VAL 61 CG2 0.0008 -0.0030 0.0045 960 VAL 61 H -0.0027 -0.0041 0.0030 961 VAL 61 HA -0.0025 -0.0066 0.0069 962 VAL 61 HB 0.0015 -0.0032 0.0055 963 VAL 61 HG11 0.0046 -0.0033 0.0084 964 VAL 61 HG12 0.0030 -0.0053 0.0099 965 VAL 61 HG13 0.0022 -0.0055 0.0094 966 VAL 61 HG21 0.0026 -0.0017 0.0043 967 VAL 61 HG22 0.0001 -0.0039 0.0052 968 VAL 61 HG23 -0.0005 -0.0026 0.0027 969 GLN 62 N -0.0013 -0.0068 0.0082 970 GLN 62 CA -0.0011 -0.0079 0.0100 971 GLN 62 C -0.0033 -0.0100 0.0111 972 GLN 62 O -0.0029 -0.0113 0.0133 973 GLN 62 CB -0.0010 -0.0071 0.0090 974 GLN 62 CG 0.0015 -0.0053 0.0086 975 GLN 62 CD 0.0014 -0.0045 0.0072 976 GLN 62 OE1 0.0001 -0.0039 0.0051 977 GLN 62 NE2 0.0029 -0.0043 0.0084 978 GLN 62 H -0.0013 -0.0057 0.0065 979 GLN 62 HA 0.0006 -0.0079 0.0114 980 GLN 62 HB3 -0.0014 -0.0082 0.0101 981 GLN 62 HB2 -0.0025 -0.0069 0.0072 982 GLN 62 HG3 0.0021 -0.0043 0.0076 983 GLN 62 HG2 0.0029 -0.0057 0.0103 984 GLN 62 HE22 0.0030 -0.0038 0.0076 985 GLN 62 HE21 0.0040 -0.0048 0.0101 986 GLN 63 N -0.0063 -0.0051 0.0053 987 GLN 63 CA -0.0093 -0.0066 0.0069 988 GLN 63 C -0.0093 -0.0083 0.0095 989 GLN 63 O -0.0100 -0.0100 0.0119 990 GLN 63 CB -0.0126 -0.0058 0.0050 991 GLN 63 CG -0.0136 -0.0045 0.0029 992 GLN 63 CD -0.0173 -0.0044 0.0020 993 GLN 63 OE1 -0.0186 -0.0037 0.0007 994 GLN 63 NE2 -0.0191 -0.0051 0.0027 995 GLN 63 H -0.0066 -0.0039 0.0034 996 GLN 63 HA -0.0094 -0.0071 0.0076 997 GLN 63 HB3 -0.0147 -0.0069 0.0064 998 GLN 63 HB2 -0.0123 -0.0050 0.0039 999 GLN 63 HG3 -0.0121 -0.0030 0.0010 1000 GLN 63 HG2 -0.0129 -0.0050 0.0038 1001 GLN 63 HE22 -0.0217 -0.0050 0.0022 1002 GLN 63 HE21 -0.0180 -0.0057 0.0038 1003 ALA 64 N -0.0085 -0.0079 0.0091 1004 ALA 64 CA -0.0084 -0.0094 0.0114 1005 ALA 64 C -0.0055 -0.0106 0.0136 1006 ALA 64 O -0.0058 -0.0123 0.0162 1007 ALA 64 CB -0.0079 -0.0086 0.0102 1008 ALA 64 H -0.0080 -0.0065 0.0071 1009 ALA 64 HA -0.0108 -0.0104 0.0124 1010 ALA 64 HB1 -0.0078 -0.0098 0.0120 1011 ALA 64 HB2 -0.0100 -0.0079 0.0087 1012 ALA 64 HB3 -0.0055 -0.0076 0.0092 1013 ASN 65 N 0.0065 -0.0205 0.0139 1014 ASN 65 CA 0.0084 -0.0192 0.0174 1015 ASN 65 C 0.0075 -0.0185 0.0156 1016 ASN 65 O 0.0081 -0.0212 0.0170 1017 ASN 65 CB 0.0102 -0.0234 0.0212 1018 ASN 65 CG 0.0126 -0.0217 0.0255 1019 ASN 65 OD1 0.0141 -0.0253 0.0287 1020 ASN 65 ND2 0.0130 -0.0173 0.0259 1021 ASN 65 H 0.0066 -0.0188 0.0140 1022 ASN 65 HA 0.0094 -0.0156 0.0189 1023 ASN 65 HB3 0.0094 -0.0269 0.0200 1024 ASN 65 HB2 0.0106 -0.0243 0.0221 1025 ASN 65 HD22 0.0146 -0.0163 0.0287 1026 ASN 65 HD21 0.0118 -0.0147 0.0234 1027 PRO 66 N 0.0060 -0.0147 0.0125 1028 PRO 66 CA 0.0050 -0.0140 0.0105 1029 PRO 66 C 0.0068 -0.0112 0.0137 1030 PRO 66 O 0.0088 -0.0092 0.0171 1031 PRO 66 CB 0.0029 -0.0106 0.0062 1032 PRO 66 CG 0.0037 -0.0076 0.0075 1033 PRO 66 CD 0.0052 -0.0110 0.0106 1034 PRO 66 HA 0.0043 -0.0176 0.0095 1035 PRO 66 HB3 0.0013 -0.0131 0.0034 1036 PRO 66 HB2 0.0027 -0.0081 0.0056 1037 PRO 66 HG3 0.0022 -0.0066 0.0044 1038 PRO 66 HG2 0.0049 -0.0042 0.0093 1039 PRO 66 HD2 0.0068 -0.0088 0.0133 1040 PRO 66 HD3 0.0040 -0.0131 0.0085 1041 ARG 67 N 0.0106 0.0155 0.0090 1042 ARG 67 CA 0.0035 0.0099 0.0001 1043 ARG 67 C -0.0052 0.0035 0.0052 1044 ARG 67 O -0.0095 0.0004 0.0139 1045 ARG 67 CB 0.0004 0.0075 -0.0058 1046 ARG 67 CG -0.0090 0.0003 -0.0122 1047 ARG 67 CD -0.0086 0.0004 -0.0236 1048 ARG 67 NE 0.0010 0.0076 -0.0283 1049 ARG 67 CZ 0.0035 0.0093 -0.0367 1050 ARG 67 NH1 -0.0030 0.0043 -0.0412 1051 ARG 67 NH2 0.0124 0.0159 -0.0405 1052 ARG 67 H 0.0122 0.0167 0.0108 1053 ARG 67 HA 0.0067 0.0122 -0.0067 1054 ARG 67 HB3 0.0001 0.0074 0.0009 1055 ARG 67 HB2 0.0060 0.0116 -0.0119 1056 ARG 67 HG3 -0.0144 -0.0037 -0.0063 1057 ARG 67 HG2 -0.0113 -0.0015 -0.0144 1058 ARG 67 HD3 -0.0116 -0.0019 -0.0218 1059 ARG 67 HD2 -0.0131 -0.0031 -0.0303 1060 ARG 67 HE 0.0060 0.0113 -0.0249 1061 ARG 67 HH12 -0.0011 0.0056 -0.0475 1062 ARG 67 HH11 -0.0098 -0.0008 -0.0383 1063 ARG 67 HH22 0.0142 0.0172 -0.0468 1064 ARG 67 HH21 0.0173 0.0197 -0.0371 1065 GLY 68 N -0.0076 0.0016 -0.0003 1066 GLY 68 CA -0.0159 -0.0047 0.0030 1067 GLY 68 C -0.0138 -0.0029 0.0129 1068 GLY 68 O -0.0202 -0.0077 0.0175 1069 GLY 68 H -0.0035 0.0045 -0.0071 1070 GLY 68 HA3 -0.0215 -0.0089 0.0058 1071 GLY 68 HA2 -0.0184 -0.0068 -0.0047 1072 SER 69 N 0.0036 -0.0059 0.0169 1073 SER 69 CA 0.0039 -0.0050 0.0177 1074 SER 69 C 0.0055 -0.0049 0.0194 1075 SER 69 O 0.0066 -0.0063 0.0199 1076 SER 69 CB 0.0038 -0.0061 0.0170 1077 SER 69 OG 0.0049 -0.0079 0.0172 1078 SER 69 H 0.0038 -0.0073 0.0163 1079 SER 69 HA 0.0031 -0.0035 0.0176 1080 SER 69 HB3 0.0027 -0.0063 0.0157 1081 SER 69 HB2 0.0038 -0.0052 0.0175 1082 SER 69 HG 0.0047 -0.0088 0.0164 1083 ALA 70 N 0.0055 -0.0031 0.0204 1084 ALA 70 CA 0.0069 -0.0028 0.0221 1085 ALA 70 C 0.0074 -0.0027 0.0227 1086 ALA 70 O 0.0065 -0.0024 0.0219 1087 ALA 70 CB 0.0067 -0.0010 0.0229 1088 ALA 70 H 0.0046 -0.0020 0.0200 1089 ALA 70 HA 0.0077 -0.0040 0.0224 1090 ALA 70 HB1 0.0078 -0.0008 0.0242 1091 ALA 70 HB2 0.0063 -0.0011 0.0225 1092 ALA 70 HB3 0.0059 0.0002 0.0227 1093 GLY 71 N 0.0114 -0.0007 0.0208 1094 GLY 71 CA 0.0093 -0.0008 0.0183 1095 GLY 71 C 0.0107 0.0012 0.0149 1096 GLY 71 O 0.0135 0.0025 0.0148 1097 GLY 71 H 0.0126 -0.0009 0.0230 1098 GLY 71 HA3 0.0092 -0.0012 0.0192 1099 GLY 71 HA2 0.0067 -0.0018 0.0178 1100 PRO 72 N 0.0090 0.0014 0.0121 1101 PRO 72 CA 0.0103 0.0032 0.0088 1102 PRO 72 C 0.0136 0.0047 0.0093 1103 PRO 72 O 0.0141 0.0041 0.0112 1104 PRO 72 CB 0.0076 0.0029 0.0063 1105 PRO 72 CG 0.0045 0.0008 0.0080 1106 PRO 72 CD 0.0058 -0.0000 0.0119 1107 PRO 72 HA 0.0107 0.0037 0.0080 1108 PRO 72 HB3 0.0071 0.0036 0.0039 1109 PRO 72 HB2 0.0084 0.0034 0.0059 1110 PRO 72 HG3 0.0031 0.0004 0.0074 1111 PRO 72 HG2 0.0031 0.0004 0.0073 1112 PRO 72 HD2 0.0063 -0.0001 0.0127 1113 PRO 72 HD3 0.0041 -0.0014 0.0132 1114 CYS 73 N 0.0055 0.0041 0.0084 1115 CYS 73 CA 0.0055 0.0040 0.0082 1116 CYS 73 C 0.0054 0.0030 0.0074 1117 CYS 73 O 0.0059 0.0026 0.0068 1118 CYS 73 CB 0.0064 0.0045 0.0085 1119 CYS 73 SG 0.0078 0.0043 0.0081 1120 CYS 73 H 0.0063 0.0040 0.0082 1121 CYS 73 HA 0.0047 0.0042 0.0086 1122 CYS 73 HB3 0.0064 0.0051 0.0092 1123 CYS 73 HB2 0.0063 0.0044 0.0085 1124 CYS 74 N 0.0048 0.0028 0.0072 1125 CYS 74 CA 0.0048 0.0020 0.0065 1126 CYS 74 C 0.0059 0.0019 0.0062 1127 CYS 74 O 0.0062 0.0022 0.0065 1128 CYS 74 CB 0.0038 0.0017 0.0064 1129 CYS 74 SG 0.0036 0.0007 0.0054 1130 CYS 74 H 0.0044 0.0032 0.0077 1131 CYS 74 HA 0.0047 0.0015 0.0061 1132 CYS 74 HB3 0.0039 0.0021 0.0068 1133 CYS 74 HB2 0.0030 0.0019 0.0067 1134 THR 75 N 0.0053 0.0052 -0.0023 1135 THR 75 CA 0.0068 0.0052 -0.0026 1136 THR 75 C 0.0072 0.0042 -0.0039 1137 THR 75 O 0.0064 0.0036 -0.0045 1138 THR 75 CB 0.0077 0.0059 -0.0019 1139 THR 75 OG1 0.0092 0.0061 -0.0019 1140 THR 75 CG2 0.0078 0.0055 -0.0024 1141 THR 75 H 0.0048 0.0047 -0.0027 1142 THR 75 HA 0.0071 0.0054 -0.0024 1143 THR 75 HB 0.0072 0.0065 -0.0010 1144 THR 75 HG1 0.0095 0.0068 -0.0011 1145 THR 75 HG21 0.0085 0.0060 -0.0019 1146 THR 75 HG22 0.0067 0.0053 -0.0024 1147 THR 75 HG23 0.0083 0.0049 -0.0033 1148 PRO 76 N 0.0084 0.0039 -0.0044 1149 PRO 76 CA 0.0088 0.0030 -0.0057 1150 PRO 76 C 0.0091 0.0028 -0.0060 1151 PRO 76 O 0.0099 0.0034 -0.0054 1152 PRO 76 CB 0.0102 0.0030 -0.0059 1153 PRO 76 CG 0.0101 0.0037 -0.0050 1154 PRO 76 CD 0.0094 0.0045 -0.0039 1155 PRO 76 HA 0.0080 0.0025 -0.0062 1156 PRO 76 HB3 0.0102 0.0023 -0.0068 1157 PRO 76 HB2 0.0112 0.0033 -0.0058 1158 PRO 76 HG3 0.0094 0.0034 -0.0053 1159 PRO 76 HG2 0.0112 0.0041 -0.0048 1160 PRO 76 HD2 0.0102 0.0050 -0.0035 1161 PRO 76 HD3 0.0087 0.0048 -0.0034 1162 THR 77 N 0.0110 0.0054 -0.0108 1163 THR 77 CA 0.0139 0.0036 -0.0128 1164 THR 77 C 0.0161 0.0008 -0.0147 1165 THR 77 O 0.0190 -0.0007 -0.0165 1166 THR 77 CB 0.0121 0.0011 -0.0126 1167 THR 77 OG1 0.0089 -0.0018 -0.0119 1168 THR 77 CG2 0.0105 0.0040 -0.0110 1169 THR 77 H 0.0086 0.0035 -0.0102 1170 THR 77 HA 0.0160 0.0061 -0.0131 1171 THR 77 HB 0.0142 -0.0007 -0.0142 1172 THR 77 HG1 0.0069 -0.0003 -0.0105 1173 THR 77 HG21 0.0092 0.0022 -0.0109 1174 THR 77 HG22 0.0130 0.0062 -0.0116 1175 THR 77 HG23 0.0083 0.0057 -0.0094 1176 LYS 78 N 0.0146 0.0000 -0.0142 1177 LYS 78 CA 0.0166 -0.0023 -0.0158 1178 LYS 78 C 0.0158 -0.0008 -0.0150 1179 LYS 78 O 0.0124 -0.0004 -0.0132 1180 LYS 78 CB 0.0153 -0.0070 -0.0166 1181 LYS 78 CG 0.0176 -0.0097 -0.0185 1182 LYS 78 CD 0.0162 -0.0143 -0.0191 1183 LYS 78 CE 0.0182 -0.0169 -0.0209 1184 LYS 78 NZ 0.0167 -0.0214 -0.0215 1185 LYS 78 H 0.0121 0.0011 -0.0126 1186 LYS 78 HA 0.0197 -0.0017 -0.0172 1187 LYS 78 HB3 0.0122 -0.0076 -0.0152 1188 LYS 78 HB2 0.0156 -0.0080 -0.0170 1189 LYS 78 HG3 0.0207 -0.0091 -0.0199 1190 LYS 78 HG2 0.0174 -0.0087 -0.0181 1191 LYS 78 HD3 0.0130 -0.0148 -0.0177 1192 LYS 78 HD2 0.0167 -0.0154 -0.0197 1193 LYS 78 HE3 0.0214 -0.0164 -0.0223 1194 LYS 78 HE2 0.0178 -0.0158 -0.0203 1195 LYS 78 HZ1 0.0138 -0.0219 -0.0202 1196 LYS 78 HZ2 0.0182 -0.0231 -0.0226 1197 LYS 78 HZ3 0.0172 -0.0225 -0.0220 1198 MET 79 N 0.0061 0.0018 -0.0093 1199 MET 79 CA 0.0051 0.0028 -0.0088 1200 MET 79 C 0.0043 0.0040 -0.0079 1201 MET 79 O 0.0040 0.0041 -0.0081 1202 MET 79 CB 0.0040 0.0028 -0.0103 1203 MET 79 CG 0.0046 0.0016 -0.0113 1204 MET 79 SD 0.0053 0.0016 -0.0105 1205 MET 79 CE 0.0036 0.0027 -0.0109 1206 MET 79 H 0.0056 0.0017 -0.0099 1207 MET 79 HA 0.0057 0.0028 -0.0081 1208 MET 79 HB3 0.0033 0.0036 -0.0099 1209 MET 79 HB2 0.0033 0.0029 -0.0109 1210 MET 79 HG3 0.0038 0.0015 -0.0124 1211 MET 79 HG2 0.0055 0.0008 -0.0115 1212 MET 79 HE1 0.0038 0.0028 -0.0105 1213 MET 79 HE2 0.0030 0.0023 -0.0122 1214 MET 79 HE3 0.0029 0.0035 -0.0103 1215 SER 80 N 0.0039 0.0049 -0.0068 1216 SER 80 CA 0.0031 0.0062 -0.0060 1217 SER 80 C 0.0017 0.0071 -0.0061 1218 SER 80 O 0.0018 0.0069 -0.0063 1219 SER 80 CB 0.0039 0.0065 -0.0042 1220 SER 80 OG 0.0048 0.0061 -0.0040 1221 SER 80 H 0.0043 0.0048 -0.0066 1222 SER 80 HA 0.0027 0.0062 -0.0064 1223 SER 80 HB3 0.0032 0.0075 -0.0036 1224 SER 80 HB2 0.0047 0.0062 -0.0039 1225 SER 80 HG 0.0056 0.0052 -0.0043 1226 PRO 81 N -0.0112 0.0112 0.0046 1227 PRO 81 CA -0.0107 0.0073 0.0043 1228 PRO 81 C -0.0075 0.0085 0.0014 1229 PRO 81 O -0.0060 0.0127 -0.0002 1230 PRO 81 CB -0.0145 0.0076 0.0077 1231 PRO 81 CG -0.0158 0.0130 0.0087 1232 PRO 81 CD -0.0143 0.0149 0.0073 1233 PRO 81 HA -0.0102 0.0036 0.0041 1234 PRO 81 HB3 -0.0165 0.0051 0.0096 1235 PRO 81 HB2 -0.0140 0.0067 0.0073 1236 PRO 81 HG3 -0.0189 0.0132 0.0115 1237 PRO 81 HG2 -0.0146 0.0152 0.0076 1238 PRO 81 HD2 -0.0131 0.0187 0.0060 1239 PRO 81 HD3 -0.0165 0.0147 0.0093 1240 ILE 82 N -0.0064 0.0048 0.0005 1241 ILE 82 CA -0.0042 0.0059 -0.0015 1242 ILE 82 C -0.0061 0.0037 0.0003 1243 ILE 82 O -0.0083 0.0001 0.0024 1244 ILE 82 CB -0.0001 0.0039 -0.0051 1245 ILE 82 CG1 0.0000 -0.0019 -0.0050 1246 ILE 82 CG2 0.0021 0.0066 -0.0072 1247 ILE 82 CD1 0.0038 -0.0044 -0.0083 1248 ILE 82 H -0.0071 0.0012 0.0013 1249 ILE 82 HA -0.0041 0.0101 -0.0017 1250 ILE 82 HB 0.0013 0.0045 -0.0064 1251 ILE 82 HG13 -0.0021 -0.0037 -0.0030 1252 ILE 82 HG12 -0.0009 -0.0026 -0.0041 1253 ILE 82 HG21 0.0050 0.0051 -0.0098 1254 ILE 82 HG22 0.0022 0.0107 -0.0074 1255 ILE 82 HG23 0.0008 0.0061 -0.0060 1256 ILE 82 HD11 0.0037 -0.0084 -0.0080 1257 ILE 82 HD12 0.0046 -0.0038 -0.0090 1258 ILE 82 HD13 0.0059 -0.0027 -0.0102 1259 ASN 83 N -0.0090 0.0043 -0.0017 1260 ASN 83 CA -0.0066 0.0007 -0.0009 1261 ASN 83 C -0.0031 -0.0032 -0.0027 1262 ASN 83 O -0.0022 -0.0027 -0.0067 1263 ASN 83 CB -0.0066 0.0020 -0.0039 1264 ASN 83 CG -0.0100 0.0058 -0.0021 1265 ASN 83 OD1 -0.0112 0.0056 0.0024 1266 ASN 83 ND2 -0.0116 0.0094 -0.0057 1267 ASN 83 H -0.0097 0.0065 -0.0050 1268 ASN 83 HA -0.0072 -0.0001 0.0032 1269 ASN 83 HB3 -0.0047 -0.0008 -0.0034 1270 ASN 83 HB2 -0.0060 0.0029 -0.0080 1271 ASN 83 HD22 -0.0139 0.0121 -0.0047 1272 ASN 83 HD21 -0.0105 0.0095 -0.0093 1273 MET 84 N -0.0012 -0.0070 0.0004 1274 MET 84 CA 0.0020 -0.0109 -0.0009 1275 MET 84 C 0.0047 -0.0146 -0.0003 1276 MET 84 O 0.0039 -0.0150 0.0029 1277 MET 84 CB 0.0019 -0.0122 0.0025 1278 MET 84 CG -0.0005 -0.0087 0.0019 1279 MET 84 SD -0.0003 -0.0104 0.0054 1280 MET 84 CE 0.0035 -0.0138 0.0014 1281 MET 84 H -0.0021 -0.0072 0.0036 1282 MET 84 HA 0.0028 -0.0102 -0.0049 1283 MET 84 HB3 0.0045 -0.0152 0.0017 1284 MET 84 HB2 0.0012 -0.0129 0.0066 1285 MET 84 HG3 -0.0030 -0.0058 0.0031 1286 MET 84 HG2 0.0001 -0.0077 -0.0022 1287 MET 84 HE1 0.0039 -0.0151 0.0031 1288 MET 84 HE2 0.0056 -0.0165 0.0011 1289 MET 84 HE3 0.0033 -0.0119 -0.0025 1290 LEU 85 N 0.0021 -0.0130 0.0088 1291 LEU 85 CA 0.0023 -0.0123 0.0086 1292 LEU 85 C 0.0010 -0.0092 0.0086 1293 LEU 85 O -0.0013 -0.0085 0.0095 1294 LEU 85 CB 0.0008 -0.0144 0.0096 1295 LEU 85 CG 0.0015 -0.0146 0.0093 1296 LEU 85 CD1 0.0045 -0.0158 0.0082 1297 LEU 85 CD2 -0.0004 -0.0165 0.0105 1298 LEU 85 H 0.0002 -0.0131 0.0096 1299 LEU 85 HA 0.0044 -0.0123 0.0076 1300 LEU 85 HB3 -0.0014 -0.0140 0.0105 1301 LEU 85 HB2 0.0011 -0.0166 0.0098 1302 LEU 85 HG 0.0013 -0.0124 0.0090 1303 LEU 85 HD11 0.0050 -0.0159 0.0080 1304 LEU 85 HD12 0.0058 -0.0143 0.0073 1305 LEU 85 HD13 0.0048 -0.0180 0.0084 1306 LEU 85 HD21 0.0002 -0.0166 0.0102 1307 LEU 85 HD22 -0.0002 -0.0186 0.0108 1308 LEU 85 HD23 -0.0024 -0.0155 0.0112 1309 TYR 86 N 0.0026 -0.0072 0.0075 1310 TYR 86 CA 0.0017 -0.0041 0.0074 1311 TYR 86 C 0.0030 -0.0025 0.0065 1312 TYR 86 O 0.0049 -0.0036 0.0059 1313 TYR 86 CB 0.0024 -0.0027 0.0068 1314 TYR 86 CG 0.0054 -0.0029 0.0055 1315 TYR 86 CD1 0.0067 -0.0053 0.0054 1316 TYR 86 CD2 0.0070 -0.0007 0.0044 1317 TYR 86 CE1 0.0095 -0.0055 0.0042 1318 TYR 86 CE2 0.0098 -0.0009 0.0032 1319 TYR 86 CZ 0.0110 -0.0033 0.0031 1320 TYR 86 OH 0.0137 -0.0034 0.0019 1321 TYR 86 H 0.0044 -0.0079 0.0069 1322 TYR 86 HA -0.0005 -0.0039 0.0083 1323 TYR 86 HB3 0.0014 -0.0038 0.0075 1324 TYR 86 HB2 0.0016 -0.0005 0.0068 1325 TYR 86 HD1 0.0056 -0.0071 0.0062 1326 TYR 86 HD2 0.0061 0.0012 0.0045 1327 TYR 86 HE1 0.0104 -0.0074 0.0041 1328 TYR 86 HE2 0.0110 0.0009 0.0024 1329 TYR 86 HH 0.0143 -0.0052 0.0020 1330 PHE 87 N 0.0013 0.0137 0.0030 1331 PHE 87 CA 0.0006 0.0147 0.0021 1332 PHE 87 C 0.0014 0.0150 0.0005 1333 PHE 87 O 0.0018 0.0151 -0.0002 1334 PHE 87 CB -0.0008 0.0156 0.0022 1335 PHE 87 CG -0.0018 0.0156 0.0037 1336 PHE 87 CD1 -0.0024 0.0158 0.0041 1337 PHE 87 CD2 -0.0022 0.0153 0.0048 1338 PHE 87 CE1 -0.0033 0.0158 0.0054 1339 PHE 87 CE2 -0.0031 0.0152 0.0062 1340 PHE 87 CZ -0.0037 0.0155 0.0065 1341 PHE 87 H 0.0011 0.0138 0.0032 1342 PHE 87 HA 0.0006 0.0146 0.0025 1343 PHE 87 HB3 -0.0012 0.0164 0.0014 1344 PHE 87 HB2 -0.0008 0.0157 0.0020 1345 PHE 87 HD1 -0.0022 0.0161 0.0033 1346 PHE 87 HD2 -0.0017 0.0151 0.0046 1347 PHE 87 HE1 -0.0038 0.0160 0.0057 1348 PHE 87 HE2 -0.0033 0.0150 0.0070 1349 PHE 87 HZ -0.0044 0.0154 0.0076 1350 ASN 88 N 0.0018 0.0151 -0.0002 1351 ASN 88 CA 0.0024 0.0154 -0.0018 1352 ASN 88 C 0.0014 0.0167 -0.0027 1353 ASN 88 O 0.0001 0.0172 -0.0021 1354 ASN 88 CB 0.0033 0.0151 -0.0023 1355 ASN 88 CG 0.0025 0.0155 -0.0020 1356 ASN 88 OD1 0.0012 0.0162 -0.0016 1357 ASN 88 ND2 0.0032 0.0151 -0.0021 1358 ASN 88 H 0.0016 0.0149 0.0003 1359 ASN 88 HA 0.0031 0.0151 -0.0021 1360 ASN 88 HB3 0.0041 0.0142 -0.0016 1361 ASN 88 HB2 0.0039 0.0153 -0.0034 1362 ASN 88 HD22 0.0027 0.0153 -0.0020 1363 ASN 88 HD21 0.0042 0.0145 -0.0024 1364 ASP 89 N 0.0090 0.0316 -0.0094 1365 ASP 89 CA 0.0072 0.0138 -0.0094 1366 ASP 89 C 0.0046 0.0032 -0.0072 1367 ASP 89 O 0.0069 -0.0110 -0.0126 1368 ASP 89 CB -0.0009 0.0105 0.0016 1369 ASP 89 CG -0.0102 0.0173 0.0158 1370 ASP 89 OD1 -0.0097 0.0292 0.0168 1371 ASP 89 OD2 -0.0180 0.0107 0.0260 1372 ASP 89 H 0.0053 0.0392 -0.0031 1373 ASP 89 HA 0.0138 0.0098 -0.0193 1374 ASP 89 HB3 0.0016 0.0160 -0.0011 1375 ASP 89 HB2 -0.0024 -0.0029 0.0018 1376 LYS 90 N -0.0003 0.0100 0.0007 1377 LYS 90 CA -0.0029 0.0013 0.0031 1378 LYS 90 C 0.0052 0.0042 -0.0079 1379 LYS 90 O 0.0038 -0.0011 -0.0067 1380 LYS 90 CB -0.0122 0.0067 0.0171 1381 LYS 90 CG -0.0211 0.0027 0.0291 1382 LYS 90 CD -0.0283 0.0149 0.0411 1383 LYS 90 CE -0.0383 0.0088 0.0544 1384 LYS 90 NZ -0.0457 0.0173 0.0661 1385 LYS 90 H -0.0024 0.0214 0.0053 1386 LYS 90 HA -0.0041 -0.0120 0.0030 1387 LYS 90 HB3 -0.0135 0.0010 0.0182 1388 LYS 90 HB2 -0.0111 0.0200 0.0175 1389 LYS 90 HG3 -0.0190 0.0037 0.0263 1390 LYS 90 HG2 -0.0243 -0.0099 0.0320 1391 LYS 90 HD3 -0.0286 0.0168 0.0419 1392 LYS 90 HD2 -0.0258 0.0269 0.0393 1393 LYS 90 HE3 -0.0386 0.0113 0.0552 1394 LYS 90 HE2 -0.0398 -0.0046 0.0546 1395 LYS 90 HZ1 -0.0454 0.0149 0.0654 1396 LYS 90 HZ2 -0.0523 0.0131 0.0749 1397 LYS 90 HZ3 -0.0444 0.0297 0.0660 1398 GLN 91 N 0.0048 0.0209 -0.0032 1399 GLN 91 CA 0.0095 0.0249 0.0011 1400 GLN 91 C 0.0080 0.0305 -0.0007 1401 GLN 91 O 0.0107 0.0361 0.0016 1402 GLN 91 CB 0.0127 0.0287 0.0040 1403 GLN 91 CG 0.0144 0.0235 0.0060 1404 GLN 91 CD 0.0177 0.0174 0.0097 1405 GLN 91 OE1 0.0205 0.0184 0.0123 1406 GLN 91 NE2 0.0175 0.0111 0.0099 1407 GLN 91 H 0.0046 0.0154 -0.0031 1408 GLN 91 HA 0.0119 0.0209 0.0038 1409 GLN 91 HB3 0.0161 0.0316 0.0072 1410 GLN 91 HB2 0.0104 0.0330 0.0015 1411 GLN 91 HG3 0.0165 0.0266 0.0080 1412 GLN 91 HG2 0.0109 0.0210 0.0028 1413 GLN 91 HE22 0.0197 0.0069 0.0123 1414 GLN 91 HE21 0.0152 0.0105 0.0077 1415 GLN 92 N 0.0037 0.0288 -0.0049 1416 GLN 92 CA 0.0022 0.0332 -0.0066 1417 GLN 92 C 0.0051 0.0307 -0.0036 1418 GLN 92 O 0.0064 0.0243 -0.0019 1419 GLN 92 CB -0.0037 0.0325 -0.0124 1420 GLN 92 CG -0.0070 0.0352 -0.0158 1421 GLN 92 CD -0.0128 0.0330 -0.0213 1422 GLN 92 OE1 -0.0142 0.0269 -0.0223 1423 GLN 92 NE2 -0.0161 0.0379 -0.0250 1424 GLN 92 H 0.0013 0.0244 -0.0069 1425 GLN 92 HA 0.0033 0.0389 -0.0059 1426 GLN 92 HB3 -0.0047 0.0355 -0.0135 1427 GLN 92 HB2 -0.0049 0.0268 -0.0131 1428 GLN 92 HG3 -0.0055 0.0329 -0.0142 1429 GLN 92 HG2 -0.0065 0.0411 -0.0157 1430 GLN 92 HE22 -0.0200 0.0367 -0.0287 1431 GLN 92 HE21 -0.0148 0.0428 -0.0240 1432 ILE 93 N 0.0014 0.0097 0.0035 1433 ILE 93 CA 0.0009 0.0058 0.0056 1434 ILE 93 C 0.0038 0.0027 0.0034 1435 ILE 93 O 0.0056 0.0014 0.0018 1436 ILE 93 CB -0.0007 0.0039 0.0081 1437 ILE 93 CG1 -0.0037 0.0069 0.0103 1438 ILE 93 CG2 -0.0011 -0.0002 0.0101 1439 ILE 93 CD1 -0.0051 0.0058 0.0124 1440 ILE 93 H 0.0013 0.0104 0.0034 1441 ILE 93 HA -0.0004 0.0064 0.0069 1442 ILE 93 HB 0.0006 0.0034 0.0068 1443 ILE 93 HG13 -0.0034 0.0101 0.0089 1444 ILE 93 HG12 -0.0051 0.0070 0.0120 1445 ILE 93 HG21 -0.0023 -0.0015 0.0119 1446 ILE 93 HG22 0.0010 -0.0024 0.0085 1447 ILE 93 HG23 -0.0024 0.0002 0.0114 1448 ILE 93 HD11 -0.0072 0.0081 0.0139 1449 ILE 93 HD12 -0.0037 0.0058 0.0107 1450 ILE 93 HD13 -0.0054 0.0027 0.0139 1451 ILE 94 N 0.0042 0.0017 0.0033 1452 ILE 94 CA 0.0070 -0.0010 0.0011 1453 ILE 94 C 0.0066 -0.0050 0.0031 1454 ILE 94 O 0.0046 -0.0049 0.0052 1455 ILE 94 CB 0.0085 0.0011 -0.0014 1456 ILE 94 CG1 0.0090 0.0051 -0.0035 1457 ILE 94 CG2 0.0114 -0.0018 -0.0036 1458 ILE 94 CD1 0.0111 0.0044 -0.0055 1459 ILE 94 H 0.0026 0.0027 0.0047 1460 ILE 94 HA 0.0084 -0.0019 -0.0002 1461 ILE 94 HB 0.0071 0.0020 -0.0001 1462 ILE 94 HG13 0.0099 0.0068 -0.0051 1463 ILE 94 HG12 0.0070 0.0072 -0.0019 1464 ILE 94 HG21 0.0124 -0.0002 -0.0054 1465 ILE 94 HG22 0.0110 -0.0045 -0.0021 1466 ILE 94 HG23 0.0129 -0.0027 -0.0049 1467 ILE 94 HD11 0.0113 0.0074 -0.0069 1468 ILE 94 HD12 0.0132 0.0024 -0.0072 1469 ILE 94 HD13 0.0101 0.0029 -0.0039 1470 TYR 95 N 0.0145 -0.0207 0.0056 1471 TYR 95 CA 0.0105 -0.0206 0.0044 1472 TYR 95 C 0.0101 -0.0183 0.0067 1473 TYR 95 O 0.0133 -0.0183 0.0077 1474 TYR 95 CB 0.0103 -0.0240 0.0009 1475 TYR 95 CG 0.0065 -0.0240 -0.0004 1476 TYR 95 CD1 0.0024 -0.0242 -0.0019 1477 TYR 95 CD2 0.0071 -0.0239 -0.0001 1478 TYR 95 CE1 -0.0010 -0.0243 -0.0031 1479 TYR 95 CE2 0.0037 -0.0240 -0.0012 1480 TYR 95 CZ -0.0004 -0.0242 -0.0027 1481 TYR 95 OH -0.0038 -0.0242 -0.0039 1482 TYR 95 H 0.0173 -0.0221 0.0051 1483 TYR 95 HA 0.0077 -0.0198 0.0044 1484 TYR 95 HB3 0.0134 -0.0250 0.0007 1485 TYR 95 HB2 0.0101 -0.0255 -0.0008 1486 TYR 95 HD1 0.0018 -0.0243 -0.0022 1487 TYR 95 HD2 0.0103 -0.0237 0.0011 1488 TYR 95 HE1 -0.0042 -0.0245 -0.0043 1489 TYR 95 HE2 0.0042 -0.0238 -0.0009 1490 TYR 95 HH -0.0028 -0.0241 -0.0035 1491 GLY 96 N 0.0062 -0.0164 0.0074 1492 GLY 96 CA 0.0057 -0.0142 0.0096 1493 GLY 96 C 0.0010 -0.0129 0.0094 1494 GLY 96 O -0.0021 -0.0126 0.0087 1495 GLY 96 H 0.0037 -0.0165 0.0065 1496 GLY 96 HA3 0.0071 -0.0122 0.0121 1497 GLY 96 HA2 0.0076 -0.0153 0.0091 1498 LYS 97 N -0.0204 -0.0033 0.0179 1499 LYS 97 CA -0.0198 0.0018 0.0161 1500 LYS 97 C -0.0202 -0.0024 0.0174 1501 LYS 97 O -0.0240 -0.0046 0.0225 1502 LYS 97 CB -0.0237 0.0089 0.0193 1503 LYS 97 CG -0.0229 0.0153 0.0170 1504 LYS 97 CD -0.0266 0.0224 0.0200 1505 LYS 97 CE -0.0243 0.0283 0.0160 1506 LYS 97 NZ -0.0224 0.0255 0.0142 1507 LYS 97 H -0.0238 -0.0034 0.0221 1508 LYS 97 HA -0.0162 0.0035 0.0113 1509 LYS 97 HB3 -0.0273 0.0074 0.0240 1510 LYS 97 HB2 -0.0239 0.0110 0.0191 1511 LYS 97 HG3 -0.0192 0.0165 0.0122 1512 LYS 97 HG2 -0.0232 0.0135 0.0178 1513 LYS 97 HD3 -0.0280 0.0248 0.0212 1514 LYS 97 HD2 -0.0297 0.0209 0.0241 1515 LYS 97 HE3 -0.0214 0.0300 0.0121 1516 LYS 97 HE2 -0.0271 0.0333 0.0183 1517 LYS 97 HZ1 -0.0191 0.0222 0.0109 1518 LYS 97 HZ2 -0.0247 0.0225 0.0177 1519 LYS 97 HZ3 -0.0220 0.0300 0.0128 1520 ILE 98 N -0.0162 -0.0035 0.0128 1521 ILE 98 CA -0.0160 -0.0080 0.0134 1522 ILE 98 C -0.0165 -0.0030 0.0131 1523 ILE 98 O -0.0132 0.0002 0.0083 1524 ILE 98 CB -0.0111 -0.0135 0.0087 1525 ILE 98 CG1 -0.0101 -0.0180 0.0084 1526 ILE 98 CG2 -0.0112 -0.0186 0.0098 1527 ILE 98 CD1 -0.0138 -0.0231 0.0140 1528 ILE 98 H -0.0132 -0.0012 0.0087 1529 ILE 98 HA -0.0189 -0.0113 0.0178 1530 ILE 98 HB -0.0082 -0.0102 0.0044 1531 ILE 98 HG13 -0.0065 -0.0214 0.0047 1532 ILE 98 HG12 -0.0099 -0.0142 0.0073 1533 ILE 98 HG21 -0.0077 -0.0224 0.0065 1534 ILE 98 HG22 -0.0117 -0.0151 0.0097 1535 ILE 98 HG23 -0.0142 -0.0218 0.0142 1536 ILE 98 HD11 -0.0128 -0.0261 0.0134 1537 ILE 98 HD12 -0.0139 -0.0272 0.0150 1538 ILE 98 HD13 -0.0174 -0.0197 0.0177 1539 PRO 99 N -0.0180 -0.0070 0.0123 1540 PRO 99 CA -0.0144 -0.0022 0.0114 1541 PRO 99 C -0.0105 -0.0040 0.0043 1542 PRO 99 O -0.0116 -0.0101 0.0008 1543 PRO 99 CB -0.0181 -0.0028 0.0161 1544 PRO 99 CG -0.0234 -0.0060 0.0210 1545 PRO 99 CD -0.0235 -0.0106 0.0171 1546 PRO 99 HA -0.0122 0.0031 0.0128 1547 PRO 99 HB3 -0.0169 0.0024 0.0188 1548 PRO 99 HB2 -0.0182 -0.0062 0.0134 1549 PRO 99 HG3 -0.0238 -0.0019 0.0250 1550 PRO 99 HG2 -0.0265 -0.0091 0.0226 1551 PRO 99 HD2 -0.0246 -0.0157 0.0145 1552 PRO 99 HD3 -0.0259 -0.0108 0.0204 1553 GLY 100 N -0.0060 0.0012 0.0024 1554 GLY 100 CA -0.0023 0.0000 -0.0038 1555 GLY 100 C 0.0003 -0.0029 -0.0099 1556 GLY 100 O 0.0012 -0.0072 -0.0148 1557 GLY 100 H -0.0051 0.0062 0.0053 1558 GLY 100 HA3 -0.0043 -0.0035 -0.0040 1559 GLY 100 HA2 0.0007 0.0049 -0.0040 1560 MET 101 N -0.0003 -0.0010 -0.0063 1561 MET 101 CA 0.0007 -0.0015 -0.0076 1562 MET 101 C 0.0013 -0.0003 -0.0087 1563 MET 101 O 0.0020 -0.0008 -0.0097 1564 MET 101 CB 0.0009 -0.0019 -0.0078 1565 MET 101 CG 0.0007 -0.0034 -0.0070 1566 MET 101 SD 0.0014 -0.0052 -0.0076 1567 MET 101 CE 0.0024 -0.0052 -0.0091 1568 MET 101 H -0.0006 -0.0001 -0.0060 1569 MET 101 HA 0.0009 -0.0026 -0.0076 1570 MET 101 HB3 0.0017 -0.0020 -0.0088 1571 MET 101 HB2 0.0006 -0.0009 -0.0076 1572 MET 101 HG3 0.0007 -0.0035 -0.0070 1573 MET 101 HG2 -0.0001 -0.0034 -0.0060 1574 MET 101 HE1 0.0029 -0.0062 -0.0096 1575 MET 101 HE2 0.0023 -0.0053 -0.0089 1576 MET 101 HE3 0.0027 -0.0041 -0.0097 1577 VAL 102 N 0.0009 0.0012 -0.0085 1578 VAL 102 CA 0.0013 0.0025 -0.0095 1579 VAL 102 C 0.0008 0.0034 -0.0090 1580 VAL 102 O -0.0000 0.0039 -0.0079 1581 VAL 102 CB 0.0014 0.0036 -0.0099 1582 VAL 102 CG1 0.0018 0.0050 -0.0108 1583 VAL 102 CG2 0.0019 0.0027 -0.0104 1584 VAL 102 H 0.0002 0.0015 -0.0076 1585 VAL 102 HA 0.0020 0.0020 -0.0104 1586 VAL 102 HB 0.0007 0.0041 -0.0090 1587 VAL 102 HG11 0.0018 0.0058 -0.0111 1588 VAL 102 HG12 0.0014 0.0057 -0.0104 1589 VAL 102 HG13 0.0025 0.0045 -0.0117 1590 VAL 102 HG21 0.0019 0.0035 -0.0107 1591 VAL 102 HG22 0.0026 0.0022 -0.0113 1592 VAL 102 HG23 0.0016 0.0018 -0.0097 1593 VAL 103 N 0.0019 0.0004 -0.0093 1594 VAL 103 CA 0.0020 0.0001 -0.0093 1595 VAL 103 C 0.0017 -0.0015 -0.0093 1596 VAL 103 O 0.0006 -0.0020 -0.0088 1597 VAL 103 CB 0.0012 0.0010 -0.0088 1598 VAL 103 CG1 0.0011 0.0005 -0.0089 1599 VAL 103 CG2 0.0017 0.0025 -0.0090 1600 VAL 103 H 0.0011 0.0007 -0.0088 1601 VAL 103 HA 0.0030 0.0003 -0.0098 1602 VAL 103 HB 0.0002 0.0009 -0.0083 1603 VAL 103 HG11 0.0005 0.0011 -0.0085 1604 VAL 103 HG12 0.0008 -0.0006 -0.0087 1605 VAL 103 HG13 0.0021 0.0005 -0.0093 1606 VAL 103 HG21 0.0011 0.0032 -0.0086 1607 VAL 103 HG22 0.0026 0.0026 -0.0095 1608 VAL 103 HG23 0.0017 0.0029 -0.0089 1609 ASP 104 N 0.0026 -0.0022 -0.0098 1610 ASP 104 CA 0.0024 -0.0037 -0.0098 1611 ASP 104 C 0.0019 -0.0040 -0.0096 1612 ASP 104 O 0.0012 -0.0050 -0.0093 1613 ASP 104 CB 0.0036 -0.0045 -0.0105 1614 ASP 104 CG 0.0041 -0.0044 -0.0107 1615 ASP 104 OD1 0.0033 -0.0043 -0.0103 1616 ASP 104 OD2 0.0052 -0.0045 -0.0113 1617 ASP 104 H 0.0034 -0.0018 -0.0102 1618 ASP 104 HA 0.0017 -0.0042 -0.0095 1619 ASP 104 HB3 0.0034 -0.0057 -0.0105 1620 ASP 104 HB2 0.0043 -0.0042 -0.0108 1621 ARG 105 N 0.0093 0.0012 -0.0148 1622 ARG 105 CA 0.0077 -0.0001 -0.0142 1623 ARG 105 C 0.0076 0.0003 -0.0124 1624 ARG 105 O 0.0087 0.0013 -0.0124 1625 ARG 105 CB 0.0071 -0.0011 -0.0160 1626 ARG 105 CG 0.0054 -0.0026 -0.0157 1627 ARG 105 CD 0.0049 -0.0036 -0.0176 1628 ARG 105 NE 0.0054 -0.0036 -0.0195 1629 ARG 105 CZ 0.0058 -0.0038 -0.0214 1630 ARG 105 NH1 0.0056 -0.0040 -0.0218 1631 ARG 105 NH2 0.0062 -0.0038 -0.0230 1632 ARG 105 H 0.0102 0.0021 -0.0146 1633 ARG 105 HA 0.0070 -0.0006 -0.0136 1634 ARG 105 HB3 0.0078 -0.0006 -0.0166 1635 ARG 105 HB2 0.0073 -0.0013 -0.0174 1636 ARG 105 HG3 0.0046 -0.0032 -0.0152 1637 ARG 105 HG2 0.0051 -0.0025 -0.0144 1638 ARG 105 HD3 0.0036 -0.0047 -0.0174 1639 ARG 105 HD2 0.0054 -0.0032 -0.0179 1640 ARG 105 HE 0.0055 -0.0034 -0.0192 1641 ARG 105 HH12 0.0059 -0.0041 -0.0232 1642 ARG 105 HH11 0.0053 -0.0040 -0.0205 1643 ARG 105 HH22 0.0065 -0.0039 -0.0245 1644 ARG 105 HH21 0.0063 -0.0036 -0.0228 1645 CYS 106 N 0.0064 -0.0004 -0.0109 1646 CYS 106 CA 0.0062 -0.0002 -0.0091 1647 CYS 106 C 0.0047 -0.0015 -0.0091 1648 CYS 106 O 0.0036 -0.0028 -0.0098 1649 CYS 106 CB 0.0060 0.0002 -0.0071 1650 CYS 106 SG 0.0078 0.0019 -0.0068 1651 CYS 106 H 0.0055 -0.0013 -0.0110 1652 CYS 106 HA 0.0072 0.0007 -0.0092 1653 CYS 106 HB3 0.0057 0.0003 -0.0057 1654 CYS 106 HB2 0.0050 -0.0007 -0.0070 1655 GLY 107 N 0.0097 0.0037 -0.0043 1656 GLY 107 CA 0.0090 0.0038 -0.0039 1657 GLY 107 C 0.0090 0.0045 -0.0028 1658 GLY 107 O 0.0097 0.0048 -0.0023 1659 GLY 107 H 0.0104 0.0040 -0.0038 1660 GLY 107 HA3 0.0093 0.0036 -0.0043 1661 GLY 107 HA2 0.0081 0.0037 -0.0041 1662 CYS 108 N 0.0082 0.0047 -0.0023 1663 CYS 108 CA 0.0081 0.0054 -0.0012 1664 CYS 108 C 0.0088 0.0056 -0.0009 1665 CYS 108 O 0.0085 0.0054 -0.0012 1666 CYS 108 CB 0.0068 0.0055 -0.0009 1667 CYS 108 SG 0.0060 0.0054 -0.0011 1668 CYS 108 H 0.0077 0.0044 -0.0028 1669 CYS 108 HA 0.0085 0.0056 -0.0008 1670 CYS 108 HB3 0.0068 0.0060 -0.0001 1671 CYS 108 HB2 0.0064 0.0053 -0.0013 1672 SER 109 N 0.0094 0.0041 0.0003 1673 SER 109 CA 0.0091 0.0040 0.0003 1674 SER 109 C 0.0090 0.0034 0.0019 1675 SER 109 O 0.0100 0.0034 0.0029 1676 SER 109 CB 0.0102 0.0046 -0.0005 1677 SER 109 OG 0.0103 0.0052 -0.0019 1678 SER 109 OXT 0.0080 0.0030 0.0022 1679 SER 109 H 0.0103 0.0042 0.0008 1680 SER 109 HA 0.0080 0.0038 -0.0003 1681 SER 109 HB3 0.0099 0.0045 -0.0006 1682 SER 109 HB2 0.0113 0.0048 0.0001 1683 SER 109 HG 0.0106 0.0052 -0.0019 1684 ASN 1 N -0.0004 0.0036 -0.0041 1685 ASN 1 CA -0.0048 0.0007 -0.0028 1686 ASN 1 C -0.0079 -0.0006 -0.0043 1687 ASN 1 O -0.0114 -0.0019 -0.0070 1688 ASN 1 CB -0.0046 -0.0006 0.0027 1689 ASN 1 CG -0.0091 -0.0036 0.0043 1690 ASN 1 OD1 -0.0102 -0.0042 0.0043 1691 ASN 1 ND2 -0.0114 -0.0052 0.0055 1692 ASN 1 H1 0.0016 0.0044 -0.0031 1693 ASN 1 H2 -0.0005 0.0045 -0.0078 1694 ASN 1 HA -0.0061 0.0005 -0.0048 1695 ASN 1 HB3 -0.0032 -0.0003 0.0047 1696 ASN 1 HB2 -0.0023 0.0004 0.0037 1697 ASN 1 HD22 -0.0144 -0.0072 0.0066 1698 ASN 1 HD21 -0.0104 -0.0046 0.0055 1699 LEU 2 N -0.0064 -0.0002 -0.0027 1700 LEU 2 CA -0.0087 -0.0011 -0.0042 1701 LEU 2 C -0.0071 0.0010 -0.0089 1702 LEU 2 O -0.0088 0.0006 -0.0109 1703 LEU 2 CB -0.0080 -0.0018 -0.0002 1704 LEU 2 CG -0.0109 -0.0045 0.0039 1705 LEU 2 CD1 -0.0088 -0.0046 0.0086 1706 LEU 2 CD2 -0.0155 -0.0067 0.0023 1707 LEU 2 H -0.0037 0.0007 -0.0003 1708 LEU 2 HA -0.0123 -0.0030 -0.0050 1709 LEU 2 HB3 -0.0087 -0.0017 -0.0018 1710 LEU 2 HB2 -0.0046 -0.0002 0.0014 1711 LEU 2 HG -0.0111 -0.0048 0.0047 1712 LEU 2 HD11 -0.0109 -0.0065 0.0115 1713 LEU 2 HD12 -0.0056 -0.0030 0.0098 1714 LEU 2 HD13 -0.0086 -0.0042 0.0079 1715 LEU 2 HD21 -0.0176 -0.0086 0.0052 1716 LEU 2 HD22 -0.0153 -0.0064 0.0014 1717 LEU 2 HD23 -0.0169 -0.0067 -0.0010 1718 GLY 3 N 0.0003 0.0032 -0.0059 1719 GLY 3 CA 0.0000 0.0029 -0.0053 1720 GLY 3 C 0.0001 0.0032 -0.0054 1721 GLY 3 O 0.0004 0.0035 -0.0060 1722 GLY 3 H 0.0005 0.0031 -0.0065 1723 GLY 3 HA3 -0.0002 0.0022 -0.0054 1724 GLY 3 HA2 -0.0001 0.0031 -0.0046 1725 LEU 4 N -0.0001 0.0032 -0.0047 1726 LEU 4 CA -0.0000 0.0035 -0.0046 1727 LEU 4 C -0.0002 0.0027 -0.0047 1728 LEU 4 O -0.0005 0.0021 -0.0042 1729 LEU 4 CB -0.0001 0.0040 -0.0038 1730 LEU 4 CG 0.0000 0.0045 -0.0037 1731 LEU 4 CD1 0.0004 0.0051 -0.0045 1732 LEU 4 CD2 -0.0001 0.0051 -0.0029 1733 LEU 4 H -0.0003 0.0029 -0.0042 1734 LEU 4 HA 0.0003 0.0038 -0.0052 1735 LEU 4 HB3 -0.0004 0.0037 -0.0033 1736 LEU 4 HB2 0.0000 0.0045 -0.0037 1737 LEU 4 HG -0.0001 0.0041 -0.0038 1738 LEU 4 HD11 0.0005 0.0055 -0.0044 1739 LEU 4 HD12 0.0005 0.0047 -0.0051 1740 LEU 4 HD13 0.0005 0.0056 -0.0044 1741 LEU 4 HD21 0.0000 0.0054 -0.0028 1742 LEU 4 HD22 0.0000 0.0055 -0.0028 1743 LEU 4 HD23 -0.0004 0.0046 -0.0024 1744 ASP 5 N 0.0028 0.0078 -0.0063 1745 ASP 5 CA 0.0026 0.0078 -0.0062 1746 ASP 5 C 0.0024 0.0091 -0.0056 1747 ASP 5 O 0.0031 0.0100 -0.0054 1748 ASP 5 CB 0.0037 0.0075 -0.0068 1749 ASP 5 CG 0.0037 0.0062 -0.0074 1750 ASP 5 OD1 0.0028 0.0055 -0.0073 1751 ASP 5 OD2 0.0047 0.0058 -0.0079 1752 ASP 5 H 0.0036 0.0082 -0.0065 1753 ASP 5 HA 0.0018 0.0072 -0.0062 1754 ASP 5 HB3 0.0037 0.0078 -0.0066 1755 ASP 5 HB2 0.0045 0.0080 -0.0069 1756 CYS 6 N 0.0016 0.0092 -0.0052 1757 CYS 6 CA 0.0013 0.0103 -0.0046 1758 CYS 6 C 0.0012 0.0103 -0.0045 1759 CYS 6 O 0.0010 0.0094 -0.0049 1760 CYS 6 CB 0.0001 0.0106 -0.0040 1761 CYS 6 SG 0.0001 0.0107 -0.0039 1762 CYS 6 H 0.0011 0.0084 -0.0053 1763 CYS 6 HA 0.0020 0.0110 -0.0046 1764 CYS 6 HB3 -0.0000 0.0115 -0.0035 1765 CYS 6 HB2 -0.0006 0.0100 -0.0039 1766 ASP 7 N -0.0024 0.0169 -0.0067 1767 ASP 7 CA -0.0048 0.0146 -0.0057 1768 ASP 7 C -0.0035 0.0127 -0.0029 1769 ASP 7 O -0.0007 0.0132 -0.0018 1770 ASP 7 CB -0.0073 0.0138 -0.0062 1771 ASP 7 CG -0.0059 0.0134 -0.0050 1772 ASP 7 OD1 -0.0030 0.0139 -0.0040 1773 ASP 7 OD2 -0.0077 0.0125 -0.0051 1774 ASP 7 H -0.0009 0.0168 -0.0057 1775 ASP 7 HA -0.0060 0.0150 -0.0067 1776 ASP 7 HB3 -0.0084 0.0151 -0.0082 1777 ASP 7 HB2 -0.0091 0.0121 -0.0055 1778 GLU 8 N -0.0055 0.0104 -0.0017 1779 GLU 8 CA -0.0045 0.0084 0.0011 1780 GLU 8 C -0.0026 0.0079 0.0026 1781 GLU 8 O -0.0005 0.0071 0.0047 1782 GLU 8 CB -0.0073 0.0060 0.0019 1783 GLU 8 CG -0.0099 0.0056 0.0009 1784 GLU 8 CD -0.0127 0.0033 0.0017 1785 GLU 8 OE1 -0.0125 0.0020 0.0032 1786 GLU 8 OE2 -0.0150 0.0028 0.0009 1787 GLU 8 H -0.0078 0.0101 -0.0026 1788 GLU 8 HA -0.0032 0.0088 0.0014 1789 GLU 8 HB3 -0.0083 0.0061 0.0013 1790 GLU 8 HB2 -0.0066 0.0044 0.0040 1791 GLU 8 HG3 -0.0091 0.0055 0.0015 1792 GLU 8 HG2 -0.0107 0.0072 -0.0012 1793 HIS 9 N -0.0096 0.0038 0.0020 1794 HIS 9 CA -0.0081 0.0018 0.0033 1795 HIS 9 C -0.0034 0.0068 0.0030 1796 HIS 9 O -0.0037 0.0076 0.0025 1797 HIS 9 CB -0.0143 0.0005 0.0016 1798 HIS 9 CG -0.0197 -0.0039 0.0016 1799 HIS 9 ND1 -0.0258 -0.0023 -0.0014 1800 HIS 9 CD2 -0.0197 -0.0099 0.0040 1801 HIS 9 CE1 -0.0294 -0.0071 -0.0007 1802 HIS 9 NE2 -0.0259 -0.0118 0.0026 1803 HIS 9 H -0.0136 0.0060 -0.0004 1804 HIS 9 HA -0.0059 -0.0026 0.0060 1805 HIS 9 HB3 -0.0132 -0.0015 0.0029 1806 HIS 9 HB2 -0.0161 0.0050 -0.0009 1807 HIS 9 HD1 -0.0269 0.0020 -0.0035 1808 HIS 9 HD2 -0.0154 -0.0123 0.0066 1809 HIS 9 HE1 -0.0345 -0.0067 -0.0027 1810 SER 10 N 0.0011 0.0102 0.0032 1811 SER 10 CA 0.0061 0.0149 0.0030 1812 SER 10 C 0.0128 0.0130 0.0063 1813 SER 10 O 0.0140 0.0104 0.0078 1814 SER 10 CB 0.0058 0.0216 0.0001 1815 SER 10 OG -0.0004 0.0237 -0.0030 1816 SER 10 H 0.0010 0.0096 0.0034 1817 SER 10 HA 0.0054 0.0150 0.0027 1818 SER 10 HB3 0.0096 0.0250 0.0001 1819 SER 10 HB2 0.0067 0.0216 0.0005 1820 SER 10 HG -0.0011 0.0238 -0.0033 1821 SER 11 N 0.0059 0.0046 -0.0104 1822 SER 11 CA 0.0062 0.0040 -0.0130 1823 SER 11 C 0.0054 0.0038 -0.0118 1824 SER 11 O 0.0046 0.0026 -0.0133 1825 SER 11 CB 0.0048 0.0021 -0.0154 1826 SER 11 OG 0.0022 0.0005 -0.0140 1827 SER 11 H 0.0041 0.0035 -0.0094 1828 SER 11 HA 0.0082 0.0053 -0.0140 1829 SER 11 HB3 0.0056 0.0024 -0.0164 1830 SER 11 HB2 0.0049 0.0016 -0.0171 1831 SER 11 HG 0.0015 0.0002 -0.0131 1832 GLU 12 N 0.0057 0.0050 -0.0090 1833 GLU 12 CA 0.0049 0.0049 -0.0074 1834 GLU 12 C 0.0067 0.0060 -0.0083 1835 GLU 12 O 0.0089 0.0078 -0.0080 1836 GLU 12 CB 0.0047 0.0059 -0.0040 1837 GLU 12 CG 0.0040 0.0059 -0.0021 1838 GLU 12 CD 0.0015 0.0038 -0.0025 1839 GLU 12 OE1 -0.0004 0.0026 -0.0015 1840 GLU 12 OE2 0.0015 0.0033 -0.0039 1841 GLU 12 H 0.0065 0.0060 -0.0078 1842 GLU 12 HA 0.0031 0.0033 -0.0078 1843 GLU 12 HB3 0.0064 0.0074 -0.0035 1844 GLU 12 HB2 0.0033 0.0050 -0.0032 1845 GLU 12 HG3 0.0054 0.0068 -0.0028 1846 GLU 12 HG2 0.0039 0.0067 0.0003 1847 SER 13 N 0.0045 0.0018 -0.0064 1848 SER 13 CA 0.0054 0.0025 -0.0077 1849 SER 13 C 0.0054 0.0028 -0.0059 1850 SER 13 O 0.0066 0.0040 -0.0064 1851 SER 13 CB 0.0044 0.0010 -0.0101 1852 SER 13 OG 0.0027 -0.0007 -0.0093 1853 SER 13 H 0.0031 0.0003 -0.0065 1854 SER 13 HA 0.0068 0.0039 -0.0085 1855 SER 13 HB3 0.0042 0.0006 -0.0114 1856 SER 13 HB2 0.0053 0.0017 -0.0114 1857 SER 13 HG 0.0029 -0.0003 -0.0082 1858 ARG 14 N 0.0041 0.0018 -0.0037 1859 ARG 14 CA 0.0040 0.0020 -0.0019 1860 ARG 14 C 0.0055 0.0040 -0.0001 1861 ARG 14 O 0.0064 0.0050 0.0002 1862 ARG 14 CB 0.0021 0.0003 -0.0001 1863 ARG 14 CG 0.0004 -0.0017 -0.0015 1864 ARG 14 CD -0.0010 -0.0031 -0.0005 1865 ARG 14 NE -0.0027 -0.0051 -0.0016 1866 ARG 14 CZ -0.0030 -0.0059 -0.0040 1867 ARG 14 NH1 -0.0017 -0.0047 -0.0056 1868 ARG 14 NH2 -0.0047 -0.0078 -0.0048 1869 ARG 14 H 0.0032 0.0010 -0.0033 1870 ARG 14 HA 0.0041 0.0019 -0.0030 1871 ARG 14 HB3 0.0020 0.0005 0.0012 1872 ARG 14 HB2 0.0021 0.0006 0.0014 1873 ARG 14 HG3 -0.0002 -0.0024 -0.0012 1874 ARG 14 HG2 0.0008 -0.0017 -0.0036 1875 ARG 14 HD3 -0.0004 -0.0026 -0.0010 1876 ARG 14 HD2 -0.0013 -0.0030 0.0017 1877 ARG 14 HE -0.0038 -0.0060 -0.0004 1878 ARG 14 HH12 -0.0019 -0.0053 -0.0074 1879 ARG 14 HH11 -0.0004 -0.0033 -0.0050 1880 ARG 14 HH22 -0.0049 -0.0083 -0.0067 1881 ARG 14 HH21 -0.0057 -0.0086 -0.0036 1882 CYS 15 N 0.0040 0.0043 0.0015 1883 CYS 15 CA 0.0042 0.0041 0.0016 1884 CYS 15 C 0.0040 0.0041 0.0012 1885 CYS 15 O 0.0037 0.0044 0.0011 1886 CYS 15 CB 0.0042 0.0043 0.0021 1887 CYS 15 SG 0.0045 0.0041 0.0022 1888 CYS 15 H 0.0039 0.0045 0.0018 1889 CYS 15 HA 0.0045 0.0038 0.0016 1890 CYS 15 HB3 0.0040 0.0046 0.0021 1891 CYS 15 HB2 0.0044 0.0043 0.0024 1892 CYS 16 N 0.0043 0.0037 0.0010 1893 CYS 16 CA 0.0041 0.0036 0.0005 1894 CYS 16 C 0.0044 0.0033 0.0004 1895 CYS 16 O 0.0047 0.0030 0.0007 1896 CYS 16 CB 0.0040 0.0035 0.0001 1897 CYS 16 SG 0.0037 0.0036 -0.0005 1898 CYS 16 H 0.0045 0.0035 0.0011 1899 CYS 16 HA 0.0039 0.0039 0.0005 1900 CYS 16 HB3 0.0042 0.0032 0.0000 1901 CYS 16 HB2 0.0039 0.0038 0.0002 1902 ARG 17 N 0.0007 0.0052 -0.0019 1903 ARG 17 CA 0.0007 0.0042 -0.0023 1904 ARG 17 C 0.0009 0.0045 -0.0024 1905 ARG 17 O 0.0015 0.0053 -0.0028 1906 ARG 17 CB 0.0013 0.0036 -0.0033 1907 ARG 17 CG 0.0012 0.0025 -0.0037 1908 ARG 17 CD 0.0017 0.0020 -0.0047 1909 ARG 17 NE 0.0026 0.0026 -0.0054 1910 ARG 17 CZ 0.0032 0.0022 -0.0063 1911 ARG 17 NH1 0.0030 0.0011 -0.0066 1912 ARG 17 NH2 0.0039 0.0029 -0.0068 1913 ARG 17 H 0.0013 0.0057 -0.0023 1914 ARG 17 HA 0.0001 0.0036 -0.0019 1915 ARG 17 HB3 0.0019 0.0042 -0.0038 1916 ARG 17 HB2 0.0012 0.0035 -0.0033 1917 ARG 17 HG3 0.0005 0.0020 -0.0033 1918 ARG 17 HG2 0.0012 0.0027 -0.0038 1919 ARG 17 HD3 0.0016 0.0018 -0.0047 1920 ARG 17 HD2 0.0016 0.0012 -0.0050 1921 ARG 17 HE 0.0027 0.0035 -0.0051 1922 ARG 17 HH12 0.0034 0.0008 -0.0073 1923 ARG 17 HH11 0.0024 0.0006 -0.0062 1924 ARG 17 HH22 0.0044 0.0025 -0.0075 1925 ARG 17 HH21 0.0041 0.0037 -0.0066 1926 TYR 18 N 0.0003 0.0040 -0.0020 1927 TYR 18 CA 0.0004 0.0042 -0.0020 1928 TYR 18 C 0.0005 0.0032 -0.0027 1929 TYR 18 O 0.0003 0.0023 -0.0029 1930 TYR 18 CB -0.0003 0.0044 -0.0010 1931 TYR 18 CG -0.0004 0.0055 -0.0004 1932 TYR 18 CD1 -0.0008 0.0055 0.0001 1933 TYR 18 CD2 -0.0002 0.0064 -0.0002 1934 TYR 18 CE1 -0.0009 0.0065 0.0007 1935 TYR 18 CE2 -0.0002 0.0074 0.0004 1936 TYR 18 CZ -0.0006 0.0075 0.0008 1937 TYR 18 OH -0.0007 0.0084 0.0014 1938 TYR 18 H -0.0002 0.0034 -0.0017 1939 TYR 18 HA 0.0009 0.0049 -0.0023 1940 TYR 18 HB3 -0.0003 0.0043 -0.0011 1941 TYR 18 HB2 -0.0009 0.0037 -0.0008 1942 TYR 18 HD1 -0.0010 0.0048 -0.0000 1943 TYR 18 HD2 0.0001 0.0064 -0.0006 1944 TYR 18 HE1 -0.0011 0.0066 0.0010 1945 TYR 18 HE2 -0.0000 0.0081 0.0005 1946 TYR 18 HH -0.0009 0.0083 0.0017 1947 PRO 19 N -0.0030 0.0022 -0.0037 1948 PRO 19 CA -0.0034 0.0007 -0.0048 1949 PRO 19 C -0.0033 -0.0010 -0.0037 1950 PRO 19 O -0.0030 -0.0014 -0.0024 1951 PRO 19 CB -0.0037 0.0004 -0.0061 1952 PRO 19 CG -0.0034 0.0010 -0.0052 1953 PRO 19 CD -0.0030 0.0025 -0.0040 1954 PRO 19 HA -0.0035 0.0012 -0.0055 1955 PRO 19 HB3 -0.0039 0.0013 -0.0073 1956 PRO 19 HB2 -0.0039 -0.0010 -0.0065 1957 PRO 19 HG3 -0.0036 0.0014 -0.0062 1958 PRO 19 HG2 -0.0034 -0.0002 -0.0044 1959 PRO 19 HD2 -0.0028 0.0024 -0.0028 1960 PRO 19 HD3 -0.0031 0.0038 -0.0047 1961 LEU 20 N -0.0035 -0.0020 -0.0042 1962 LEU 20 CA -0.0034 -0.0038 -0.0034 1963 LEU 20 C -0.0038 -0.0049 -0.0047 1964 LEU 20 O -0.0039 -0.0045 -0.0051 1965 LEU 20 CB -0.0030 -0.0036 -0.0017 1966 LEU 20 CG -0.0030 -0.0054 -0.0008 1967 LEU 20 CD1 -0.0029 -0.0065 -0.0003 1968 LEU 20 CD2 -0.0026 -0.0051 0.0007 1969 LEU 20 H -0.0037 -0.0016 -0.0052 1970 LEU 20 HA -0.0034 -0.0044 -0.0032 1971 LEU 20 HB3 -0.0030 -0.0027 -0.0019 1972 LEU 20 HB2 -0.0027 -0.0029 -0.0007 1973 LEU 20 HG -0.0033 -0.0062 -0.0018 1974 LEU 20 HD11 -0.0029 -0.0078 0.0003 1975 LEU 20 HD12 -0.0032 -0.0068 -0.0014 1976 LEU 20 HD13 -0.0027 -0.0058 0.0007 1977 LEU 20 HD21 -0.0026 -0.0064 0.0013 1978 LEU 20 HD22 -0.0023 -0.0043 0.0017 1979 LEU 20 HD23 -0.0027 -0.0044 0.0002 1980 THR 21 N -0.0063 -0.0009 -0.0058 1981 THR 21 CA -0.0050 -0.0010 -0.0053 1982 THR 21 C -0.0049 -0.0010 -0.0053 1983 THR 21 O -0.0052 -0.0003 -0.0060 1984 THR 21 CB -0.0039 -0.0001 -0.0057 1985 THR 21 OG1 -0.0039 -0.0002 -0.0057 1986 THR 21 CG2 -0.0025 -0.0002 -0.0051 1987 THR 21 H -0.0065 -0.0001 -0.0065 1988 THR 21 HA -0.0048 -0.0018 -0.0045 1989 THR 21 HB -0.0040 0.0007 -0.0064 1990 THR 21 HG1 -0.0048 -0.0001 -0.0060 1991 THR 21 HG21 -0.0017 0.0004 -0.0054 1992 THR 21 HG22 -0.0024 -0.0002 -0.0051 1993 THR 21 HG23 -0.0023 -0.0010 -0.0044 1994 VAL 22 N -0.0044 -0.0018 -0.0044 1995 VAL 22 CA -0.0042 -0.0018 -0.0043 1996 VAL 22 C -0.0027 -0.0015 -0.0041 1997 VAL 22 O -0.0019 -0.0019 -0.0034 1998 VAL 22 CB -0.0047 -0.0029 -0.0035 1999 VAL 22 CG1 -0.0042 -0.0030 -0.0033 2000 VAL 22 CG2 -0.0063 -0.0032 -0.0038 2001 VAL 22 H -0.0043 -0.0024 -0.0038 2002 VAL 22 HA -0.0047 -0.0012 -0.0050 2003 VAL 22 HB -0.0044 -0.0035 -0.0029 2004 VAL 22 HG11 -0.0046 -0.0038 -0.0027 2005 VAL 22 HG12 -0.0031 -0.0029 -0.0030 2006 VAL 22 HG13 -0.0045 -0.0024 -0.0039 2007 VAL 22 HG21 -0.0066 -0.0040 -0.0032 2008 VAL 22 HG22 -0.0066 -0.0026 -0.0044 2009 VAL 22 HG23 -0.0066 -0.0031 -0.0039 2010 ASP 23 N -0.0018 0.0075 -0.0039 2011 ASP 23 CA 0.0006 0.0078 -0.0039 2012 ASP 23 C 0.0000 0.0063 -0.0034 2013 ASP 23 O -0.0017 0.0071 -0.0037 2014 ASP 23 CB 0.0014 0.0107 -0.0050 2015 ASP 23 CG 0.0040 0.0110 -0.0050 2016 ASP 23 OD1 0.0062 0.0120 -0.0054 2017 ASP 23 OD2 0.0039 0.0102 -0.0047 2018 ASP 23 H -0.0036 0.0086 -0.0043 2019 ASP 23 HA 0.0024 0.0069 -0.0035 2020 ASP 23 HB3 -0.0004 0.0116 -0.0054 2021 ASP 23 HB2 0.0017 0.0117 -0.0054 2022 PHE 24 N 0.0015 0.0041 -0.0025 2023 PHE 24 CA 0.0010 0.0024 -0.0019 2024 PHE 24 C 0.0018 0.0036 -0.0023 2025 PHE 24 O 0.0005 0.0031 -0.0022 2026 PHE 24 CB 0.0026 -0.0003 -0.0008 2027 PHE 24 CG 0.0015 -0.0019 -0.0002 2028 PHE 24 CD1 -0.0013 -0.0027 -0.0000 2029 PHE 24 CD2 0.0032 -0.0027 0.0001 2030 PHE 24 CE1 -0.0024 -0.0042 0.0005 2031 PHE 24 CE2 0.0022 -0.0042 0.0006 2032 PHE 24 CZ -0.0006 -0.0049 0.0008 2033 PHE 24 H 0.0030 0.0035 -0.0023 2034 PHE 24 HA -0.0013 0.0019 -0.0018 2035 PHE 24 HB3 0.0024 -0.0014 -0.0004 2036 PHE 24 HB2 0.0048 0.0001 -0.0009 2037 PHE 24 HD1 -0.0028 -0.0021 -0.0003 2038 PHE 24 HD2 0.0054 -0.0021 -0.0001 2039 PHE 24 HE1 -0.0046 -0.0048 0.0007 2040 PHE 24 HE2 0.0036 -0.0047 0.0009 2041 PHE 24 HZ -0.0014 -0.0061 0.0013 2042 GLU 25 N 0.0052 0.0078 -0.0024 2043 GLU 25 CA 0.0071 0.0095 -0.0035 2044 GLU 25 C 0.0039 0.0124 -0.0049 2045 GLU 25 O 0.0034 0.0127 -0.0050 2046 GLU 25 CB 0.0114 0.0114 -0.0047 2047 GLU 25 CG 0.0140 0.0097 -0.0039 2048 GLU 25 CD 0.0182 0.0119 -0.0053 2049 GLU 25 OE1 0.0212 0.0119 -0.0054 2050 GLU 25 OE2 0.0185 0.0137 -0.0063 2051 GLU 25 H 0.0064 0.0084 -0.0028 2052 GLU 25 HA 0.0077 0.0072 -0.0022 2053 GLU 25 HB3 0.0135 0.0114 -0.0048 2054 GLU 25 HB2 0.0108 0.0145 -0.0063 2055 GLU 25 HG3 0.0120 0.0097 -0.0038 2056 GLU 25 HG2 0.0149 0.0067 -0.0023 2057 ALA 26 N 0.0016 0.0146 -0.0060 2058 ALA 26 CA -0.0016 0.0176 -0.0074 2059 ALA 26 C -0.0057 0.0157 -0.0062 2060 ALA 26 O -0.0085 0.0177 -0.0072 2061 ALA 26 CB -0.0030 0.0202 -0.0088 2062 ALA 26 H 0.0021 0.0143 -0.0058 2063 ALA 26 HA -0.0001 0.0193 -0.0084 2064 ALA 26 HB1 -0.0054 0.0224 -0.0098 2065 ALA 26 HB2 -0.0001 0.0217 -0.0097 2066 ALA 26 HB3 -0.0044 0.0185 -0.0078 2067 PHE 27 N -0.0057 0.0072 -0.0003 2068 PHE 27 CA -0.0085 0.0057 -0.0010 2069 PHE 27 C -0.0074 0.0061 -0.0007 2070 PHE 27 O -0.0095 0.0058 -0.0015 2071 PHE 27 CB -0.0095 0.0020 -0.0000 2072 PHE 27 CG -0.0109 0.0014 -0.0004 2073 PHE 27 CD1 -0.0112 0.0041 -0.0016 2074 PHE 27 CD2 -0.0120 -0.0019 0.0004 2075 PHE 27 CE1 -0.0125 0.0035 -0.0019 2076 PHE 27 CE2 -0.0133 -0.0025 0.0000 2077 PHE 27 CZ -0.0135 0.0002 -0.0011 2078 PHE 27 H -0.0039 0.0059 0.0010 2079 PHE 27 HA -0.0106 0.0071 -0.0025 2080 PHE 27 HB3 -0.0114 0.0009 -0.0004 2081 PHE 27 HB2 -0.0075 0.0006 0.0014 2082 PHE 27 HD1 -0.0104 0.0066 -0.0022 2083 PHE 27 HD2 -0.0118 -0.0040 0.0013 2084 PHE 27 HE1 -0.0127 0.0056 -0.0028 2085 PHE 27 HE2 -0.0141 -0.0050 0.0006 2086 PHE 27 HZ -0.0145 -0.0002 -0.0014 2087 GLY 28 N -0.0042 0.0068 0.0005 2088 GLY 28 CA -0.0028 0.0074 0.0009 2089 GLY 28 C -0.0018 0.0042 0.0026 2090 GLY 28 O -0.0007 0.0042 0.0031 2091 GLY 28 H -0.0026 0.0070 0.0012 2092 GLY 28 HA3 -0.0047 0.0083 -0.0003 2093 GLY 28 HA2 -0.0007 0.0094 0.0011 2094 TRP 29 N -0.0009 -0.0007 0.0010 2095 TRP 29 CA -0.0003 -0.0041 0.0021 2096 TRP 29 C 0.0033 -0.0049 0.0021 2097 TRP 29 O 0.0050 -0.0051 0.0020 2098 TRP 29 CB -0.0017 -0.0052 0.0026 2099 TRP 29 CG -0.0052 -0.0044 0.0026 2100 TRP 29 CD1 -0.0074 -0.0030 0.0023 2101 TRP 29 CD2 -0.0070 -0.0051 0.0030 2102 TRP 29 NE1 -0.0104 -0.0028 0.0025 2103 TRP 29 CE2 -0.0103 -0.0040 0.0029 2104 TRP 29 CE3 -0.0063 -0.0064 0.0033 2105 TRP 29 CZ2 -0.0128 -0.0042 0.0031 2106 TRP 29 CZ3 -0.0087 -0.0067 0.0036 2107 TRP 29 CH2 -0.0119 -0.0056 0.0035 2108 TRP 29 H -0.0014 0.0006 0.0006 2109 TRP 29 HA -0.0016 -0.0053 0.0026 2110 TRP 29 HB3 -0.0012 -0.0077 0.0034 2111 TRP 29 HB2 -0.0003 -0.0041 0.0021 2112 TRP 29 HD1 -0.0065 -0.0023 0.0020 2113 TRP 29 HE1 -0.0123 -0.0018 0.0023 2114 TRP 29 HE3 -0.0038 -0.0073 0.0034 2115 TRP 29 HZ2 -0.0152 -0.0034 0.0030 2116 TRP 29 HZ3 -0.0081 -0.0077 0.0039 2117 TRP 29 HH2 -0.0137 -0.0058 0.0037 2118 ASP 30 N 0.0046 -0.0054 0.0022 2119 ASP 30 CA 0.0081 -0.0061 0.0021 2120 ASP 30 C 0.0089 -0.0094 0.0031 2121 ASP 30 O 0.0118 -0.0103 0.0032 2122 ASP 30 CB 0.0092 -0.0056 0.0018 2123 ASP 30 CG 0.0077 -0.0077 0.0027 2124 ASP 30 OD1 0.0095 -0.0091 0.0030 2125 ASP 30 OD2 0.0046 -0.0081 0.0030 2126 ASP 30 H 0.0031 -0.0054 0.0023 2127 ASP 30 HA 0.0094 -0.0045 0.0015 2128 ASP 30 HB3 0.0087 -0.0031 0.0011 2129 ASP 30 HB2 0.0119 -0.0059 0.0017 2130 TRP 31 N 0.0053 -0.0075 0.0057 2131 TRP 31 CA 0.0055 -0.0085 0.0061 2132 TRP 31 C 0.0057 -0.0081 0.0058 2133 TRP 31 O 0.0061 -0.0088 0.0059 2134 TRP 31 CB 0.0046 -0.0091 0.0069 2135 TRP 31 CG 0.0035 -0.0083 0.0072 2136 TRP 31 CD1 0.0029 -0.0077 0.0074 2137 TRP 31 CD2 0.0029 -0.0080 0.0075 2138 TRP 31 NE1 0.0019 -0.0071 0.0077 2139 TRP 31 CE2 0.0019 -0.0072 0.0077 2140 TRP 31 CE3 0.0031 -0.0083 0.0075 2141 TRP 31 CZ2 0.0012 -0.0068 0.0080 2142 TRP 31 CZ3 0.0023 -0.0079 0.0078 2143 TRP 31 CH2 0.0014 -0.0071 0.0080 2144 TRP 31 H 0.0046 -0.0072 0.0061 2145 TRP 31 HA 0.0062 -0.0091 0.0059 2146 TRP 31 HB3 0.0046 -0.0096 0.0071 2147 TRP 31 HB2 0.0047 -0.0098 0.0072 2148 TRP 31 HD1 0.0032 -0.0078 0.0072 2149 TRP 31 HE1 0.0014 -0.0066 0.0078 2150 TRP 31 HE3 0.0038 -0.0089 0.0073 2151 TRP 31 HZ2 0.0004 -0.0062 0.0082 2152 TRP 31 HZ3 0.0025 -0.0081 0.0078 2153 TRP 31 HH2 0.0008 -0.0067 0.0082 2154 ILE 32 N 0.0055 -0.0070 0.0054 2155 ILE 32 CA 0.0059 -0.0065 0.0050 2156 ILE 32 C 0.0070 -0.0063 0.0041 2157 ILE 32 O 0.0072 -0.0056 0.0038 2158 ILE 32 CB 0.0051 -0.0054 0.0050 2159 ILE 32 CG1 0.0041 -0.0058 0.0057 2160 ILE 32 CG2 0.0056 -0.0048 0.0044 2161 ILE 32 CD1 0.0031 -0.0048 0.0059 2162 ILE 32 H 0.0052 -0.0064 0.0054 2163 ILE 32 HA 0.0059 -0.0072 0.0052 2164 ILE 32 HB 0.0049 -0.0048 0.0048 2165 ILE 32 HG13 0.0039 -0.0065 0.0062 2166 ILE 32 HG12 0.0042 -0.0061 0.0058 2167 ILE 32 HG21 0.0050 -0.0040 0.0044 2168 ILE 32 HG22 0.0063 -0.0046 0.0038 2169 ILE 32 HG23 0.0058 -0.0054 0.0045 2170 ILE 32 HD11 0.0024 -0.0051 0.0065 2171 ILE 32 HD12 0.0029 -0.0044 0.0059 2172 ILE 32 HD13 0.0033 -0.0041 0.0055 2173 ILE 33 N 0.0049 -0.0044 0.0050 2174 ILE 33 CA 0.0044 -0.0045 0.0051 2175 ILE 33 C 0.0056 -0.0042 0.0057 2176 ILE 33 O 0.0054 -0.0042 0.0066 2177 ILE 33 CB 0.0039 -0.0046 0.0037 2178 ILE 33 CG1 0.0027 -0.0049 0.0032 2179 ILE 33 CG2 0.0035 -0.0047 0.0038 2180 ILE 33 CD1 0.0024 -0.0050 0.0016 2181 ILE 33 H 0.0052 -0.0043 0.0041 2182 ILE 33 HA 0.0036 -0.0047 0.0059 2183 ILE 33 HB 0.0047 -0.0044 0.0030 2184 ILE 33 HG13 0.0029 -0.0049 0.0035 2185 ILE 33 HG12 0.0018 -0.0051 0.0038 2186 ILE 33 HG21 0.0032 -0.0048 0.0028 2187 ILE 33 HG22 0.0044 -0.0045 0.0042 2188 ILE 33 HG23 0.0027 -0.0049 0.0046 2189 ILE 33 HD11 0.0015 -0.0052 0.0014 2190 ILE 33 HD12 0.0033 -0.0048 0.0010 2191 ILE 33 HD13 0.0022 -0.0051 0.0014 2192 ALA 34 N 0.0068 -0.0039 0.0050 2193 ALA 34 CA 0.0080 -0.0035 0.0054 2194 ALA 34 C 0.0092 -0.0032 0.0051 2195 ALA 34 O 0.0093 -0.0032 0.0040 2196 ALA 34 CB 0.0080 -0.0035 0.0047 2197 ALA 34 H 0.0069 -0.0038 0.0043 2198 ALA 34 HA 0.0079 -0.0035 0.0066 2199 ALA 34 HB1 0.0089 -0.0033 0.0050 2200 ALA 34 HB2 0.0071 -0.0038 0.0050 2201 ALA 34 HB3 0.0080 -0.0035 0.0036 2202 PRO 35 N 0.0092 -0.0032 0.0033 2203 PRO 35 CA 0.0098 -0.0012 0.0024 2204 PRO 35 C 0.0088 0.0004 0.0014 2205 PRO 35 O 0.0073 -0.0001 0.0013 2206 PRO 35 CB 0.0088 -0.0012 0.0022 2207 PRO 35 CG 0.0068 -0.0027 0.0026 2208 PRO 35 CD 0.0074 -0.0043 0.0035 2209 PRO 35 HA 0.0116 -0.0009 0.0026 2210 PRO 35 HB3 0.0100 -0.0018 0.0027 2211 PRO 35 HB2 0.0083 0.0002 0.0014 2212 PRO 35 HG3 0.0065 -0.0034 0.0028 2213 PRO 35 HG2 0.0055 -0.0020 0.0019 2214 PRO 35 HD2 0.0060 -0.0048 0.0034 2215 PRO 35 HD3 0.0081 -0.0055 0.0042 2216 LYS 36 N 0.0097 0.0023 0.0007 2217 LYS 36 CA 0.0089 0.0039 -0.0003 2218 LYS 36 C 0.0068 0.0045 -0.0011 2219 LYS 36 O 0.0054 0.0053 -0.0018 2220 LYS 36 CB 0.0106 0.0057 -0.0009 2221 LYS 36 CG 0.0127 0.0052 -0.0002 2222 LYS 36 CD 0.0123 0.0048 -0.0001 2223 LYS 36 CE 0.0144 0.0043 0.0006 2224 LYS 36 NZ 0.0139 0.0033 0.0010 2225 LYS 36 H 0.0110 0.0026 0.0008 2226 LYS 36 HA 0.0084 0.0034 -0.0002 2227 LYS 36 HB3 0.0099 0.0069 -0.0016 2228 LYS 36 HB2 0.0110 0.0063 -0.0011 2229 LYS 36 HG3 0.0139 0.0065 -0.0006 2230 LYS 36 HG2 0.0133 0.0039 0.0006 2231 LYS 36 HD3 0.0110 0.0036 0.0003 2232 LYS 36 HD2 0.0117 0.0061 -0.0009 2233 LYS 36 HE3 0.0154 0.0057 0.0001 2234 LYS 36 HE2 0.0153 0.0034 0.0012 2235 LYS 36 HZ1 0.0130 0.0020 0.0014 2236 LYS 36 HZ2 0.0153 0.0030 0.0014 2237 LYS 36 HZ3 0.0131 0.0042 0.0004 2238 ARG 37 N 0.0085 0.0043 -0.0017 2239 ARG 37 CA 0.0065 0.0043 -0.0027 2240 ARG 37 C 0.0061 0.0020 -0.0018 2241 ARG 37 O 0.0077 0.0009 -0.0004 2242 ARG 37 CB 0.0070 0.0065 -0.0036 2243 ARG 37 CG 0.0071 0.0089 -0.0048 2244 ARG 37 CD 0.0071 0.0108 -0.0057 2245 ARG 37 NE 0.0092 0.0111 -0.0048 2246 ARG 37 CZ 0.0112 0.0126 -0.0044 2247 ARG 37 NH1 0.0115 0.0138 -0.0049 2248 ARG 37 NH2 0.0130 0.0128 -0.0036 2249 ARG 37 H 0.0098 0.0034 -0.0005 2250 ARG 37 HA 0.0049 0.0043 -0.0036 2251 ARG 37 HB3 0.0057 0.0062 -0.0041 2252 ARG 37 HB2 0.0087 0.0065 -0.0027 2253 ARG 37 HG3 0.0087 0.0094 -0.0042 2254 ARG 37 HG2 0.0056 0.0087 -0.0055 2255 ARG 37 HD3 0.0070 0.0125 -0.0067 2256 ARG 37 HD2 0.0055 0.0103 -0.0063 2257 ARG 37 HE 0.0090 0.0102 -0.0044 2258 ARG 37 HH12 0.0131 0.0149 -0.0047 2259 ARG 37 HH11 0.0101 0.0137 -0.0056 2260 ARG 37 HH22 0.0146 0.0139 -0.0033 2261 ARG 37 HH21 0.0129 0.0119 -0.0032 2262 TYR 38 N 0.0040 0.0014 -0.0026 2263 TYR 38 CA 0.0034 -0.0007 -0.0019 2264 TYR 38 C 0.0010 -0.0006 -0.0032 2265 TYR 38 O -0.0004 0.0005 -0.0045 2266 TYR 38 CB 0.0032 -0.0030 -0.0008 2267 TYR 38 CG 0.0008 -0.0040 -0.0016 2268 TYR 38 CD1 0.0001 -0.0030 -0.0024 2269 TYR 38 CD2 -0.0009 -0.0059 -0.0015 2270 TYR 38 CE1 -0.0021 -0.0039 -0.0032 2271 TYR 38 CE2 -0.0031 -0.0068 -0.0022 2272 TYR 38 CZ -0.0037 -0.0058 -0.0031 2273 TYR 38 OH -0.0059 -0.0067 -0.0038 2274 TYR 38 H 0.0027 0.0024 -0.0038 2275 TYR 38 HA 0.0048 -0.0005 -0.0012 2276 TYR 38 HB3 0.0045 -0.0028 -0.0002 2277 TYR 38 HB2 0.0036 -0.0044 0.0001 2278 TYR 38 HD1 0.0013 -0.0016 -0.0025 2279 TYR 38 HD2 -0.0004 -0.0067 -0.0009 2280 TYR 38 HE1 -0.0026 -0.0032 -0.0038 2281 TYR 38 HE2 -0.0043 -0.0083 -0.0021 2282 TYR 38 HH -0.0067 -0.0081 -0.0035 2283 LYS 39 N -0.0035 -0.0044 -0.0064 2284 LYS 39 CA -0.0036 -0.0038 -0.0060 2285 LYS 39 C -0.0036 -0.0035 -0.0053 2286 LYS 39 O -0.0037 -0.0030 -0.0053 2287 LYS 39 CB -0.0039 -0.0032 -0.0066 2288 LYS 39 CG -0.0040 -0.0034 -0.0073 2289 LYS 39 CD -0.0042 -0.0028 -0.0079 2290 LYS 39 CE -0.0043 -0.0029 -0.0087 2291 LYS 39 NZ -0.0043 -0.0029 -0.0086 2292 LYS 39 H -0.0036 -0.0043 -0.0068 2293 LYS 39 HA -0.0035 -0.0041 -0.0059 2294 LYS 39 HB3 -0.0040 -0.0027 -0.0063 2295 LYS 39 HB2 -0.0040 -0.0029 -0.0068 2296 LYS 39 HG3 -0.0039 -0.0039 -0.0077 2297 LYS 39 HG2 -0.0039 -0.0037 -0.0071 2298 LYS 39 HD3 -0.0043 -0.0028 -0.0080 2299 LYS 39 HD2 -0.0043 -0.0022 -0.0076 2300 LYS 39 HE3 -0.0042 -0.0035 -0.0090 2301 LYS 39 HE2 -0.0045 -0.0025 -0.0091 2302 LYS 39 HZ1 -0.0041 -0.0032 -0.0081 2303 LYS 39 HZ2 -0.0045 -0.0023 -0.0085 2304 LYS 39 HZ3 -0.0043 -0.0031 -0.0091 2305 ALA 40 N -0.0035 -0.0036 -0.0046 2306 ALA 40 CA -0.0034 -0.0034 -0.0038 2307 ALA 40 C -0.0036 -0.0026 -0.0035 2308 ALA 40 O -0.0037 -0.0021 -0.0031 2309 ALA 40 CB -0.0031 -0.0040 -0.0032 2310 ALA 40 H -0.0034 -0.0040 -0.0046 2311 ALA 40 HA -0.0035 -0.0033 -0.0039 2312 ALA 40 HB1 -0.0031 -0.0038 -0.0026 2313 ALA 40 HB2 -0.0030 -0.0045 -0.0034 2314 ALA 40 HB3 -0.0031 -0.0041 -0.0031 2315 ASN 41 N -0.0020 -0.0032 -0.0036 2316 ASN 41 CA -0.0013 -0.0018 -0.0026 2317 ASN 41 C -0.0010 -0.0018 -0.0009 2318 ASN 41 O -0.0014 -0.0027 -0.0007 2319 ASN 41 CB -0.0008 -0.0002 -0.0036 2320 ASN 41 CG -0.0011 -0.0002 -0.0053 2321 ASN 41 OD1 -0.0012 -0.0004 -0.0055 2322 ASN 41 ND2 -0.0012 -0.0000 -0.0067 2323 ASN 41 H -0.0023 -0.0040 -0.0038 2324 ASN 41 HA -0.0013 -0.0019 -0.0022 2325 ASN 41 HB3 -0.0003 0.0008 -0.0029 2326 ASN 41 HB2 -0.0007 0.0001 -0.0038 2327 ASN 41 HD22 -0.0014 -0.0000 -0.0079 2328 ASN 41 HD21 -0.0011 0.0001 -0.0066 2329 TYR 42 N -0.0005 -0.0007 0.0002 2330 TYR 42 CA -0.0002 -0.0005 0.0017 2331 TYR 42 C 0.0006 0.0012 0.0024 2332 TYR 42 O 0.0008 0.0020 0.0020 2333 TYR 42 CB -0.0005 -0.0018 0.0031 2334 TYR 42 CG -0.0004 -0.0018 0.0039 2335 TYR 42 CD1 -0.0007 -0.0023 0.0031 2336 TYR 42 CD2 0.0001 -0.0013 0.0056 2337 TYR 42 CE1 -0.0006 -0.0024 0.0039 2338 TYR 42 CE2 0.0002 -0.0013 0.0064 2339 TYR 42 CZ -0.0001 -0.0018 0.0055 2340 TYR 42 OH -0.0000 -0.0018 0.0063 2341 TYR 42 H -0.0002 0.0000 -0.0000 2342 TYR 42 HA -0.0002 -0.0005 0.0013 2343 TYR 42 HB3 -0.0010 -0.0030 0.0025 2344 TYR 42 HB2 -0.0003 -0.0018 0.0041 2345 TYR 42 HD1 -0.0010 -0.0028 0.0018 2346 TYR 42 HD2 0.0003 -0.0009 0.0063 2347 TYR 42 HE1 -0.0008 -0.0028 0.0032 2348 TYR 42 HE2 0.0005 -0.0009 0.0077 2349 TYR 42 HH 0.0002 -0.0018 0.0075 2350 CYS 43 N 0.0022 -0.0002 0.0027 2351 CYS 43 CA 0.0023 0.0008 0.0032 2352 CYS 43 C 0.0016 0.0015 0.0043 2353 CYS 43 O 0.0009 0.0008 0.0049 2354 CYS 43 CB 0.0020 0.0004 0.0032 2355 CYS 43 SG 0.0027 -0.0004 0.0019 2356 CYS 43 H 0.0017 -0.0011 0.0029 2357 CYS 43 HA 0.0029 0.0016 0.0027 2358 CYS 43 HB3 0.0021 0.0012 0.0036 2359 CYS 43 HB2 0.0014 -0.0002 0.0038 2360 SER 44 N 0.0019 0.0027 0.0045 2361 SER 44 CA 0.0013 0.0034 0.0056 2362 SER 44 C 0.0016 0.0048 0.0058 2363 SER 44 O 0.0024 0.0054 0.0051 2364 SER 44 CB 0.0012 0.0035 0.0057 2365 SER 44 OG 0.0007 0.0042 0.0067 2366 SER 44 H 0.0025 0.0032 0.0040 2367 SER 44 HA 0.0006 0.0029 0.0062 2368 SER 44 HB3 0.0019 0.0039 0.0051 2369 SER 44 HB2 0.0010 0.0025 0.0056 2370 SER 44 HG 0.0001 0.0036 0.0072 2371 GLY 45 N 0.0096 0.0052 0.0030 2372 GLY 45 CA 0.0084 0.0033 0.0023 2373 GLY 45 C 0.0088 0.0032 0.0016 2374 GLY 45 O 0.0101 0.0046 0.0019 2375 GLY 45 H 0.0110 0.0060 0.0024 2376 GLY 45 HA3 0.0069 0.0028 0.0035 2377 GLY 45 HA2 0.0084 0.0023 0.0010 2378 GLN 46 N 0.0079 0.0014 0.0006 2379 GLN 46 CA 0.0082 0.0011 -0.0002 2380 GLN 46 C 0.0071 0.0014 0.0015 2381 GLN 46 O 0.0056 0.0011 0.0029 2382 GLN 46 CB 0.0076 -0.0010 -0.0019 2383 GLN 46 CG 0.0085 -0.0016 -0.0037 2384 GLN 46 CD 0.0106 -0.0003 -0.0048 2385 GLN 46 OE1 0.0116 0.0007 -0.0047 2386 GLN 46 NE2 0.0114 -0.0003 -0.0057 2387 GLN 46 H 0.0069 0.0003 0.0005 2388 GLN 46 HA 0.0097 0.0020 -0.0009 2389 GLN 46 HB3 0.0078 -0.0012 -0.0026 2390 GLN 46 HB2 0.0060 -0.0020 -0.0012 2391 GLN 46 HG3 0.0079 -0.0030 -0.0048 2392 GLN 46 HG2 0.0080 -0.0015 -0.0031 2393 GLN 46 HE22 0.0129 0.0005 -0.0064 2394 GLN 46 HE21 0.0106 -0.0011 -0.0057 2395 CYS 47 N 0.0057 -0.0029 0.0022 2396 CYS 47 CA 0.0048 -0.0031 0.0035 2397 CYS 47 C 0.0038 -0.0034 0.0031 2398 CYS 47 O 0.0041 -0.0033 0.0033 2399 CYS 47 CB 0.0057 -0.0027 0.0048 2400 CYS 47 SG 0.0066 -0.0023 0.0056 2401 CYS 47 H 0.0063 -0.0027 0.0017 2402 CYS 47 HA 0.0042 -0.0033 0.0038 2403 CYS 47 HB3 0.0050 -0.0029 0.0056 2404 CYS 47 HB2 0.0065 -0.0025 0.0045 2405 GLU 48 N 0.0026 -0.0039 0.0025 2406 GLU 48 CA 0.0016 -0.0043 0.0020 2407 GLU 48 C 0.0003 -0.0046 0.0029 2408 GLU 48 O -0.0000 -0.0047 0.0036 2409 GLU 48 CB 0.0013 -0.0045 0.0004 2410 GLU 48 CG 0.0026 -0.0041 -0.0006 2411 GLU 48 CD 0.0027 -0.0042 -0.0021 2412 GLU 48 OE1 0.0016 -0.0045 -0.0025 2413 GLU 48 OE2 0.0038 -0.0038 -0.0028 2414 GLU 48 H 0.0024 -0.0040 0.0023 2415 GLU 48 HA 0.0021 -0.0041 0.0022 2416 GLU 48 HB3 0.0005 -0.0048 0.0000 2417 GLU 48 HB2 0.0010 -0.0046 0.0001 2418 GLU 48 HG3 0.0036 -0.0037 0.0000 2419 GLU 48 HG2 0.0027 -0.0041 -0.0008 2420 TYR 49 N 0.0014 -0.0065 0.0037 2421 TYR 49 CA 0.0010 -0.0059 0.0038 2422 TYR 49 C 0.0005 -0.0051 0.0040 2423 TYR 49 O 0.0009 -0.0047 0.0042 2424 TYR 49 CB 0.0004 -0.0063 0.0035 2425 TYR 49 CG 0.0009 -0.0070 0.0034 2426 TYR 49 CD1 0.0014 -0.0068 0.0035 2427 TYR 49 CD2 0.0008 -0.0079 0.0030 2428 TYR 49 CE1 0.0019 -0.0075 0.0034 2429 TYR 49 CE2 0.0013 -0.0085 0.0029 2430 TYR 49 CZ 0.0018 -0.0083 0.0031 2431 TYR 49 OH 0.0022 -0.0089 0.0029 2432 TYR 49 H 0.0021 -0.0067 0.0037 2433 TYR 49 HA 0.0015 -0.0056 0.0040 2434 TYR 49 HB3 0.0001 -0.0058 0.0036 2435 TYR 49 HB2 -0.0002 -0.0066 0.0033 2436 TYR 49 HD1 0.0015 -0.0062 0.0038 2437 TYR 49 HD2 0.0004 -0.0080 0.0029 2438 TYR 49 HE1 0.0023 -0.0073 0.0035 2439 TYR 49 HE2 0.0012 -0.0092 0.0026 2440 TYR 49 HH 0.0026 -0.0087 0.0031 2441 MET 50 N -0.0004 -0.0049 0.0039 2442 MET 50 CA -0.0009 -0.0042 0.0041 2443 MET 50 C -0.0016 -0.0045 0.0038 2444 MET 50 O -0.0021 -0.0040 0.0039 2445 MET 50 CB -0.0013 -0.0036 0.0042 2446 MET 50 CG -0.0007 -0.0033 0.0044 2447 MET 50 SD -0.0012 -0.0026 0.0046 2448 MET 50 CE -0.0015 -0.0017 0.0049 2449 MET 50 H -0.0007 -0.0053 0.0037 2450 MET 50 HA -0.0004 -0.0039 0.0043 2451 MET 50 HB3 -0.0016 -0.0031 0.0043 2452 MET 50 HB2 -0.0018 -0.0039 0.0040 2453 MET 50 HG3 -0.0003 -0.0039 0.0043 2454 MET 50 HG2 -0.0001 -0.0030 0.0047 2455 MET 50 HE1 -0.0019 -0.0012 0.0050 2456 MET 50 HE2 -0.0019 -0.0019 0.0047 2457 MET 50 HE3 -0.0009 -0.0015 0.0051 2458 PHE 51 N -0.0015 -0.0043 0.0017 2459 PHE 51 CA -0.0013 -0.0040 0.0022 2460 PHE 51 C -0.0004 -0.0030 0.0032 2461 PHE 51 O 0.0005 -0.0023 0.0030 2462 PHE 51 CB -0.0011 -0.0040 0.0009 2463 PHE 51 CG -0.0020 -0.0050 -0.0001 2464 PHE 51 CD1 -0.0031 -0.0059 0.0005 2465 PHE 51 CD2 -0.0017 -0.0051 -0.0017 2466 PHE 51 CE1 -0.0040 -0.0068 -0.0005 2467 PHE 51 CE2 -0.0026 -0.0060 -0.0026 2468 PHE 51 CZ -0.0037 -0.0069 -0.0020 2469 PHE 51 H -0.0014 -0.0043 0.0006 2470 PHE 51 HA -0.0022 -0.0046 0.0029 2471 PHE 51 HB3 -0.0009 -0.0038 0.0012 2472 PHE 51 HB2 -0.0002 -0.0035 0.0002 2473 PHE 51 HD1 -0.0034 -0.0058 0.0016 2474 PHE 51 HD2 -0.0008 -0.0044 -0.0021 2475 PHE 51 HE1 -0.0049 -0.0075 0.0000 2476 PHE 51 HE2 -0.0024 -0.0061 -0.0038 2477 PHE 51 HZ -0.0044 -0.0076 -0.0027 2478 MET 52 N -0.0006 -0.0029 0.0044 2479 MET 52 CA 0.0002 -0.0020 0.0054 2480 MET 52 C 0.0007 -0.0015 0.0062 2481 MET 52 O 0.0017 -0.0005 0.0065 2482 MET 52 CB 0.0013 -0.0013 0.0045 2483 MET 52 CG 0.0009 -0.0018 0.0033 2484 MET 52 SD -0.0000 -0.0025 0.0042 2485 MET 52 CE 0.0010 -0.0014 0.0050 2486 MET 52 H -0.0014 -0.0036 0.0046 2487 MET 52 HA -0.0002 -0.0022 0.0062 2488 MET 52 HB3 0.0018 -0.0007 0.0052 2489 MET 52 HB2 0.0019 -0.0009 0.0039 2490 MET 52 HG3 0.0017 -0.0013 0.0027 2491 MET 52 HG2 0.0005 -0.0024 0.0025 2492 MET 52 HE1 0.0005 -0.0017 0.0056 2493 MET 52 HE2 0.0016 -0.0011 0.0041 2494 MET 52 HE3 0.0014 -0.0009 0.0058 2495 GLN 53 N -0.0001 -0.0044 0.0053 2496 GLN 53 CA -0.0001 -0.0039 0.0044 2497 GLN 53 C -0.0002 -0.0037 0.0041 2498 GLN 53 O 0.0002 -0.0040 0.0043 2499 GLN 53 CB 0.0006 -0.0041 0.0039 2500 GLN 53 CG 0.0006 -0.0041 0.0041 2501 GLN 53 CD 0.0013 -0.0043 0.0036 2502 GLN 53 OE1 0.0017 -0.0041 0.0030 2503 GLN 53 NE2 0.0015 -0.0045 0.0039 2504 GLN 53 H 0.0004 -0.0047 0.0054 2505 GLN 53 HA -0.0007 -0.0036 0.0043 2506 GLN 53 HB3 0.0007 -0.0037 0.0033 2507 GLN 53 HB2 0.0012 -0.0044 0.0041 2508 GLN 53 HG3 0.0005 -0.0044 0.0047 2509 GLN 53 HG2 0.0001 -0.0038 0.0039 2510 GLN 53 HE22 0.0020 -0.0046 0.0036 2511 GLN 53 HE21 0.0012 -0.0046 0.0044 2512 LYS 54 N -0.0006 -0.0032 0.0036 2513 LYS 54 CA -0.0008 -0.0029 0.0032 2514 LYS 54 C -0.0004 -0.0027 0.0023 2515 LYS 54 O 0.0000 -0.0027 0.0021 2516 LYS 54 CB -0.0017 -0.0025 0.0033 2517 LYS 54 CG -0.0020 -0.0020 0.0028 2518 LYS 54 CD -0.0029 -0.0016 0.0029 2519 LYS 54 CE -0.0032 -0.0013 0.0025 2520 LYS 54 NZ -0.0041 -0.0008 0.0024 2521 LYS 54 H -0.0009 -0.0030 0.0034 2522 LYS 54 HA -0.0006 -0.0032 0.0036 2523 LYS 54 HB3 -0.0020 -0.0023 0.0031 2524 LYS 54 HB2 -0.0020 -0.0026 0.0039 2525 LYS 54 HG3 -0.0018 -0.0022 0.0029 2526 LYS 54 HG2 -0.0017 -0.0019 0.0021 2527 LYS 54 HD3 -0.0031 -0.0014 0.0026 2528 LYS 54 HD2 -0.0032 -0.0018 0.0035 2529 LYS 54 HE3 -0.0032 -0.0015 0.0029 2530 LYS 54 HE2 -0.0028 -0.0012 0.0019 2531 LYS 54 HZ1 -0.0044 -0.0009 0.0029 2532 LYS 54 HZ2 -0.0041 -0.0005 0.0019 2533 LYS 54 HZ3 -0.0043 -0.0006 0.0024 2534 TYR 55 N -0.0016 -0.0050 -0.0070 2535 TYR 55 CA -0.0014 -0.0046 -0.0068 2536 TYR 55 C -0.0013 -0.0051 -0.0075 2537 TYR 55 O -0.0009 -0.0054 -0.0083 2538 TYR 55 CB -0.0006 -0.0037 -0.0066 2539 TYR 55 CG -0.0008 -0.0032 -0.0058 2540 TYR 55 CD1 -0.0016 -0.0032 -0.0050 2541 TYR 55 CD2 -0.0002 -0.0026 -0.0058 2542 TYR 55 CE1 -0.0017 -0.0027 -0.0043 2543 TYR 55 CE2 -0.0004 -0.0021 -0.0051 2544 TYR 55 CZ -0.0011 -0.0021 -0.0043 2545 TYR 55 OH -0.0013 -0.0016 -0.0035 2546 TYR 55 H -0.0011 -0.0050 -0.0075 2547 TYR 55 HA -0.0020 -0.0046 -0.0062 2548 TYR 55 HB3 -0.0004 -0.0035 -0.0066 2549 TYR 55 HB2 -0.0001 -0.0037 -0.0072 2550 TYR 55 HD1 -0.0020 -0.0036 -0.0050 2551 TYR 55 HD2 0.0004 -0.0026 -0.0064 2552 TYR 55 HE1 -0.0023 -0.0027 -0.0037 2553 TYR 55 HE2 0.0001 -0.0017 -0.0051 2554 TYR 55 HH -0.0017 -0.0015 -0.0030 2555 PRO 56 N -0.0016 -0.0052 -0.0072 2556 PRO 56 CA -0.0016 -0.0057 -0.0078 2557 PRO 56 C -0.0007 -0.0053 -0.0084 2558 PRO 56 O -0.0005 -0.0058 -0.0091 2559 PRO 56 CB -0.0021 -0.0056 -0.0072 2560 PRO 56 CG -0.0021 -0.0049 -0.0063 2561 PRO 56 CD -0.0021 -0.0048 -0.0063 2562 PRO 56 HA -0.0019 -0.0063 -0.0082 2563 PRO 56 HB3 -0.0028 -0.0062 -0.0071 2564 PRO 56 HB2 -0.0018 -0.0055 -0.0074 2565 PRO 56 HG3 -0.0027 -0.0049 -0.0058 2566 PRO 56 HG2 -0.0015 -0.0043 -0.0063 2567 PRO 56 HD2 -0.0017 -0.0042 -0.0059 2568 PRO 56 HD3 -0.0027 -0.0052 -0.0060 2569 HIS 57 N 0.0020 -0.0023 -0.0066 2570 HIS 57 CA 0.0017 -0.0026 -0.0062 2571 HIS 57 C 0.0017 -0.0037 -0.0038 2572 HIS 57 O 0.0026 -0.0037 -0.0029 2573 HIS 57 CB -0.0005 -0.0028 -0.0075 2574 HIS 57 CG -0.0009 -0.0031 -0.0071 2575 HIS 57 ND1 -0.0020 -0.0042 -0.0054 2576 HIS 57 CD2 -0.0004 -0.0025 -0.0083 2577 HIS 57 CE1 -0.0021 -0.0042 -0.0055 2578 HIS 57 NE2 -0.0012 -0.0032 -0.0072 2579 HIS 57 H 0.0008 -0.0023 -0.0077 2580 HIS 57 HA 0.0031 -0.0019 -0.0068 2581 HIS 57 HB3 -0.0019 -0.0035 -0.0070 2582 HIS 57 HB2 -0.0005 -0.0021 -0.0093 2583 HIS 57 HD2 0.0004 -0.0015 -0.0097 2584 HIS 57 HE1 -0.0029 -0.0050 -0.0042 2585 HIS 57 HE2 -0.0010 -0.0028 -0.0078 2586 THR 58 N 0.0006 -0.0045 -0.0026 2587 THR 58 CA 0.0005 -0.0056 -0.0003 2588 THR 58 C 0.0028 -0.0054 0.0011 2589 THR 58 O 0.0032 -0.0058 0.0024 2590 THR 58 CB -0.0008 -0.0064 0.0006 2591 THR 58 OG1 -0.0030 -0.0066 -0.0007 2592 THR 58 CG2 -0.0010 -0.0075 0.0030 2593 THR 58 H -0.0001 -0.0044 -0.0034 2594 THR 58 HA -0.0005 -0.0060 -0.0000 2595 THR 58 HB 0.0002 -0.0060 0.0003 2596 THR 58 HG1 -0.0041 -0.0073 0.0001 2597 THR 58 HG21 -0.0019 -0.0081 0.0036 2598 THR 58 HG22 0.0007 -0.0073 0.0040 2599 THR 58 HG23 -0.0020 -0.0080 0.0032 2600 HIS 59 N 0.0004 -0.0027 -0.0008 2601 HIS 59 CA 0.0024 -0.0006 0.0012 2602 HIS 59 C 0.0030 -0.0001 0.0025 2603 HIS 59 O 0.0038 0.0006 0.0053 2604 HIS 59 CB 0.0043 0.0016 -0.0006 2605 HIS 59 CG 0.0065 0.0039 0.0013 2606 HIS 59 ND1 0.0069 0.0042 0.0041 2607 HIS 59 CD2 0.0083 0.0060 0.0008 2608 HIS 59 CE1 0.0089 0.0064 0.0052 2609 HIS 59 NE2 0.0098 0.0075 0.0033 2610 HIS 59 H 0.0005 -0.0025 -0.0032 2611 HIS 59 HA 0.0022 -0.0011 0.0034 2612 HIS 59 HB3 0.0044 0.0019 -0.0029 2613 HIS 59 HB2 0.0040 0.0013 -0.0013 2614 HIS 59 HD2 0.0083 0.0062 -0.0012 2615 HIS 59 HE1 0.0096 0.0070 0.0074 2616 HIS 59 HE2 0.0113 0.0092 0.0034 2617 LEU 60 N 0.0026 -0.0004 0.0004 2618 LEU 60 CA 0.0031 0.0001 0.0013 2619 LEU 60 C 0.0016 -0.0017 0.0039 2620 LEU 60 O 0.0024 -0.0010 0.0060 2621 LEU 60 CB 0.0029 0.0001 -0.0018 2622 LEU 60 CG 0.0046 0.0022 -0.0042 2623 LEU 60 CD1 0.0040 0.0018 -0.0075 2624 LEU 60 CD2 0.0069 0.0047 -0.0030 2625 LEU 60 H 0.0018 -0.0010 -0.0019 2626 LEU 60 HA 0.0048 0.0020 0.0023 2627 LEU 60 HB3 0.0031 0.0003 -0.0010 2628 LEU 60 HB2 0.0013 -0.0016 -0.0029 2629 LEU 60 HG 0.0046 0.0023 -0.0046 2630 LEU 60 HD11 0.0052 0.0033 -0.0093 2631 LEU 60 HD12 0.0024 0.0001 -0.0085 2632 LEU 60 HD13 0.0039 0.0016 -0.0073 2633 LEU 60 HD21 0.0081 0.0062 -0.0048 2634 LEU 60 HD22 0.0069 0.0047 -0.0025 2635 LEU 60 HD23 0.0073 0.0050 -0.0007 2636 VAL 61 N 0.0016 -0.0053 0.0070 2637 VAL 61 CA 0.0008 -0.0081 0.0101 2638 VAL 61 C 0.0020 -0.0086 0.0138 2639 VAL 61 O 0.0030 -0.0090 0.0171 2640 VAL 61 CB -0.0022 -0.0116 0.0087 2641 VAL 61 CG1 -0.0030 -0.0146 0.0122 2642 VAL 61 CG2 -0.0034 -0.0114 0.0057 2643 VAL 61 H 0.0002 -0.0059 0.0046 2644 VAL 61 HA 0.0016 -0.0075 0.0108 2645 VAL 61 HB -0.0030 -0.0120 0.0074 2646 VAL 61 HG11 -0.0052 -0.0170 0.0112 2647 VAL 61 HG12 -0.0022 -0.0147 0.0144 2648 VAL 61 HG13 -0.0022 -0.0142 0.0136 2649 VAL 61 HG21 -0.0055 -0.0139 0.0048 2650 VAL 61 HG22 -0.0025 -0.0110 0.0069 2651 VAL 61 HG23 -0.0029 -0.0094 0.0031 2652 GLN 62 N 0.0020 -0.0084 0.0134 2653 GLN 62 CA 0.0031 -0.0087 0.0168 2654 GLN 62 C 0.0061 -0.0059 0.0191 2655 GLN 62 O 0.0070 -0.0066 0.0227 2656 GLN 62 CB 0.0028 -0.0083 0.0154 2657 GLN 62 CG 0.0001 -0.0116 0.0145 2658 GLN 62 CD -0.0003 -0.0110 0.0126 2659 GLN 62 OE1 -0.0002 -0.0091 0.0094 2660 GLN 62 NE2 -0.0007 -0.0127 0.0147 2661 GLN 62 H 0.0011 -0.0080 0.0106 2662 GLN 62 HA 0.0021 -0.0112 0.0187 2663 GLN 62 HB3 0.0043 -0.0076 0.0177 2664 GLN 62 HB2 0.0033 -0.0062 0.0129 2665 GLN 62 HG3 -0.0014 -0.0125 0.0124 2666 GLN 62 HG2 -0.0003 -0.0136 0.0171 2667 GLN 62 HE22 -0.0009 -0.0125 0.0137 2668 GLN 62 HE21 -0.0007 -0.0143 0.0174 2669 GLN 63 N 0.0026 -0.0059 0.0134 2670 GLN 63 CA 0.0066 -0.0009 0.0168 2671 GLN 63 C 0.0089 -0.0016 0.0212 2672 GLN 63 O 0.0121 -0.0013 0.0263 2673 GLN 63 CB 0.0068 0.0055 0.0127 2674 GLN 63 CG 0.0055 0.0071 0.0094 2675 GLN 63 CD 0.0070 0.0141 0.0072 2676 GLN 63 OE1 0.0060 0.0170 0.0035 2677 GLN 63 NE2 0.0095 0.0170 0.0094 2678 GLN 63 H 0.0005 -0.0048 0.0091 2679 GLN 63 HA 0.0079 -0.0014 0.0192 2680 GLN 63 HB3 0.0098 0.0091 0.0153 2681 GLN 63 HB2 0.0051 0.0056 0.0097 2682 GLN 63 HG3 0.0024 0.0047 0.0057 2683 GLN 63 HG2 0.0065 0.0054 0.0122 2684 GLN 63 HE22 0.0106 0.0217 0.0080 2685 GLN 63 HE21 0.0103 0.0145 0.0124 2686 ALA 64 N 0.0073 -0.0025 0.0191 2687 ALA 64 CA 0.0093 -0.0033 0.0229 2688 ALA 64 C 0.0096 -0.0093 0.0275 2689 ALA 64 O 0.0124 -0.0094 0.0325 2690 ALA 64 CB 0.0072 -0.0032 0.0193 2691 ALA 64 H 0.0047 -0.0028 0.0149 2692 ALA 64 HA 0.0122 0.0007 0.0252 2693 ALA 64 HB1 0.0086 -0.0038 0.0222 2694 ALA 64 HB2 0.0071 0.0012 0.0162 2695 ALA 64 HB3 0.0042 -0.0071 0.0169 2696 ASN 65 N 0.0227 -0.0241 0.0304 2697 ASN 65 CA 0.0190 -0.0295 0.0370 2698 ASN 65 C 0.0180 -0.0284 0.0348 2699 ASN 65 O 0.0229 -0.0300 0.0392 2700 ASN 65 CB 0.0256 -0.0334 0.0454 2701 ASN 65 CG 0.0211 -0.0396 0.0527 2702 ASN 65 OD1 0.0272 -0.0425 0.0596 2703 ASN 65 ND2 0.0122 -0.0417 0.0522 2704 ASN 65 H 0.0195 -0.0239 0.0288 2705 ASN 65 HA 0.0118 -0.0319 0.0376 2706 ASN 65 HB3 0.0326 -0.0313 0.0452 2707 ASN 65 HB2 0.0273 -0.0336 0.0463 2708 ASN 65 HD22 0.0093 -0.0458 0.0572 2709 ASN 65 HD21 0.0078 -0.0393 0.0469 2710 PRO 66 N 0.0117 -0.0255 0.0280 2711 PRO 66 CA 0.0107 -0.0241 0.0256 2712 PRO 66 C 0.0047 -0.0295 0.0311 2713 PRO 66 O -0.0002 -0.0340 0.0357 2714 PRO 66 CB 0.0054 -0.0195 0.0165 2715 PRO 66 CG -0.0007 -0.0211 0.0164 2716 PRO 66 CD 0.0051 -0.0235 0.0224 2717 PRO 66 HA 0.0179 -0.0223 0.0257 2718 PRO 66 HB3 0.0108 -0.0152 0.0123 2719 PRO 66 HB2 0.0007 -0.0199 0.0153 2720 PRO 66 HG3 -0.0018 -0.0171 0.0101 2721 PRO 66 HG2 -0.0075 -0.0245 0.0187 2722 PRO 66 HD2 0.0001 -0.0273 0.0259 2723 PRO 66 HD3 0.0094 -0.0200 0.0189 2724 ARG 67 N 0.0051 -0.0347 0.0087 2725 ARG 67 CA -0.0030 -0.0271 0.0105 2726 ARG 67 C -0.0064 -0.0219 0.0151 2727 ARG 67 O -0.0071 -0.0232 0.0113 2728 ARG 67 CB -0.0096 -0.0266 0.0009 2729 ARG 67 CG -0.0124 -0.0244 0.0007 2730 ARG 67 CD -0.0183 -0.0248 -0.0094 2731 ARG 67 NE -0.0252 -0.0209 -0.0128 2732 ARG 67 CZ -0.0276 -0.0236 -0.0218 2733 ARG 67 NH1 -0.0236 -0.0303 -0.0283 2734 ARG 67 NH2 -0.0339 -0.0197 -0.0243 2735 ARG 67 H 0.0053 -0.0385 0.0017 2736 ARG 67 HA -0.0019 -0.0253 0.0157 2737 ARG 67 HB3 -0.0152 -0.0227 -0.0005 2738 ARG 67 HB2 -0.0070 -0.0320 -0.0052 2739 ARG 67 HG3 -0.0067 -0.0282 0.0024 2740 ARG 67 HG2 -0.0156 -0.0188 0.0063 2741 ARG 67 HD3 -0.0147 -0.0306 -0.0146 2742 ARG 67 HD2 -0.0211 -0.0223 -0.0090 2743 ARG 67 HE -0.0282 -0.0158 -0.0079 2744 ARG 67 HH12 -0.0254 -0.0324 -0.0352 2745 ARG 67 HH11 -0.0188 -0.0333 -0.0265 2746 ARG 67 HH22 -0.0357 -0.0218 -0.0312 2747 ARG 67 HH21 -0.0369 -0.0146 -0.0194 2748 GLY 68 N -0.0084 -0.0159 0.0233 2749 GLY 68 CA -0.0121 -0.0103 0.0282 2750 GLY 68 C -0.0057 -0.0117 0.0357 2751 GLY 68 O -0.0081 -0.0076 0.0397 2752 GLY 68 H -0.0073 -0.0152 0.0264 2753 GLY 68 HA3 -0.0163 -0.0097 0.0227 2754 GLY 68 HA2 -0.0164 -0.0049 0.0317 2755 SER 69 N -0.0099 -0.0249 0.0323 2756 SER 69 CA -0.0074 -0.0254 0.0345 2757 SER 69 C -0.0069 -0.0233 0.0371 2758 SER 69 O -0.0068 -0.0232 0.0374 2759 SER 69 CB -0.0051 -0.0282 0.0339 2760 SER 69 OG -0.0044 -0.0283 0.0345 2761 SER 69 H -0.0100 -0.0260 0.0312 2762 SER 69 HA -0.0074 -0.0252 0.0347 2763 SER 69 HB3 -0.0058 -0.0296 0.0318 2764 SER 69 HB2 -0.0034 -0.0287 0.0351 2765 SER 69 HG -0.0055 -0.0288 0.0329 2766 ALA 70 N -0.0068 -0.0216 0.0390 2767 ALA 70 CA -0.0066 -0.0193 0.0415 2768 ALA 70 C -0.0038 -0.0201 0.0436 2769 ALA 70 O -0.0034 -0.0184 0.0457 2770 ALA 70 CB -0.0077 -0.0171 0.0426 2771 ALA 70 H -0.0068 -0.0218 0.0387 2772 ALA 70 HA -0.0078 -0.0186 0.0410 2773 ALA 70 HB1 -0.0075 -0.0155 0.0445 2774 ALA 70 HB2 -0.0098 -0.0165 0.0411 2775 ALA 70 HB3 -0.0066 -0.0179 0.0430 2776 GLY 71 N 0.0006 -0.0139 0.0248 2777 GLY 71 CA 0.0011 -0.0103 0.0216 2778 GLY 71 C 0.0028 -0.0123 0.0175 2779 GLY 71 O 0.0035 -0.0163 0.0173 2780 GLY 71 H 0.0003 -0.0149 0.0262 2781 GLY 71 HA3 0.0010 -0.0087 0.0212 2782 GLY 71 HA2 0.0004 -0.0080 0.0225 2783 PRO 72 N 0.0034 -0.0096 0.0141 2784 PRO 72 CA 0.0050 -0.0113 0.0101 2785 PRO 72 C 0.0061 -0.0139 0.0081 2786 PRO 72 O 0.0058 -0.0126 0.0085 2787 PRO 72 CB 0.0052 -0.0072 0.0074 2788 PRO 72 CG 0.0036 -0.0035 0.0103 2789 PRO 72 CD 0.0027 -0.0047 0.0139 2790 PRO 72 HA 0.0052 -0.0134 0.0106 2791 PRO 72 HB3 0.0058 -0.0077 0.0058 2792 PRO 72 HB2 0.0058 -0.0065 0.0051 2793 PRO 72 HG3 0.0032 -0.0034 0.0116 2794 PRO 72 HG2 0.0037 -0.0005 0.0087 2795 PRO 72 HD2 0.0028 -0.0037 0.0130 2796 PRO 72 HD3 0.0015 -0.0035 0.0168 2797 CYS 73 N 0.0071 -0.0019 0.0092 2798 CYS 73 CA 0.0074 -0.0024 0.0087 2799 CYS 73 C 0.0077 -0.0022 0.0076 2800 CYS 73 O 0.0078 -0.0021 0.0073 2801 CYS 73 CB 0.0074 -0.0035 0.0090 2802 CYS 73 SG 0.0076 -0.0041 0.0088 2803 CYS 73 H 0.0072 -0.0021 0.0091 2804 CYS 73 HA 0.0073 -0.0020 0.0089 2805 CYS 73 HB3 0.0072 -0.0036 0.0097 2806 CYS 73 HB2 0.0076 -0.0038 0.0086 2807 CYS 74 N 0.0079 -0.0022 0.0072 2808 CYS 74 CA 0.0082 -0.0022 0.0061 2809 CYS 74 C 0.0085 -0.0032 0.0058 2810 CYS 74 O 0.0085 -0.0039 0.0060 2811 CYS 74 CB 0.0083 -0.0018 0.0058 2812 CYS 74 SG 0.0087 -0.0016 0.0045 2813 CYS 74 H 0.0078 -0.0022 0.0075 2814 CYS 74 HA 0.0083 -0.0016 0.0059 2815 CYS 74 HB3 0.0083 -0.0024 0.0060 2816 CYS 74 HB2 0.0081 -0.0012 0.0061 2817 THR 75 N 0.0061 -0.0004 0.0037 2818 THR 75 CA 0.0056 -0.0005 0.0032 2819 THR 75 C 0.0048 0.0000 0.0022 2820 THR 75 O 0.0048 0.0007 0.0019 2821 THR 75 CB 0.0062 0.0002 0.0035 2822 THR 75 OG1 0.0058 -0.0002 0.0033 2823 THR 75 CG2 0.0064 0.0015 0.0030 2824 THR 75 H 0.0062 0.0002 0.0034 2825 THR 75 HA 0.0053 -0.0013 0.0034 2826 THR 75 HB 0.0069 0.0000 0.0042 2827 THR 75 HG1 0.0063 -0.0003 0.0037 2828 THR 75 HG21 0.0068 0.0019 0.0032 2829 THR 75 HG22 0.0067 0.0018 0.0031 2830 THR 75 HG23 0.0057 0.0017 0.0023 2831 PRO 76 N 0.0040 -0.0003 0.0017 2832 PRO 76 CA 0.0033 0.0002 0.0007 2833 PRO 76 C 0.0036 0.0015 0.0004 2834 PRO 76 O 0.0041 0.0019 0.0006 2835 PRO 76 CB 0.0026 -0.0004 0.0004 2836 PRO 76 CG 0.0028 -0.0015 0.0011 2837 PRO 76 CD 0.0038 -0.0012 0.0019 2838 PRO 76 HA 0.0030 -0.0000 0.0006 2839 PRO 76 HB3 0.0019 -0.0006 -0.0002 2840 PRO 76 HB2 0.0027 0.0001 0.0003 2841 PRO 76 HG3 0.0024 -0.0021 0.0011 2842 PRO 76 HG2 0.0026 -0.0018 0.0011 2843 PRO 76 HD2 0.0041 -0.0009 0.0021 2844 PRO 76 HD3 0.0040 -0.0020 0.0024 2845 THR 77 N 0.0018 -0.0004 0.0003 2846 THR 77 CA 0.0016 0.0002 0.0005 2847 THR 77 C 0.0015 0.0001 0.0000 2848 THR 77 O 0.0014 0.0005 0.0002 2849 THR 77 CB 0.0013 0.0009 0.0005 2850 THR 77 OG1 0.0011 0.0009 -0.0003 2851 THR 77 CG2 0.0014 0.0010 0.0011 2852 THR 77 H 0.0017 -0.0005 -0.0002 2853 THR 77 HA 0.0018 0.0001 0.0011 2854 THR 77 HB 0.0011 0.0013 0.0006 2855 THR 77 HG1 0.0013 0.0005 -0.0003 2856 THR 77 HG21 0.0011 0.0016 0.0010 2857 THR 77 HG22 0.0015 0.0010 0.0016 2858 THR 77 HG23 0.0015 0.0006 0.0010 2859 LYS 78 N 0.0016 -0.0004 -0.0005 2860 LYS 78 CA 0.0016 -0.0006 -0.0010 2861 LYS 78 C 0.0018 -0.0014 -0.0013 2862 LYS 78 O 0.0019 -0.0016 -0.0016 2863 LYS 78 CB 0.0012 -0.0001 -0.0017 2864 LYS 78 CG 0.0011 -0.0002 -0.0021 2865 LYS 78 CD 0.0008 0.0003 -0.0028 2866 LYS 78 CE 0.0007 0.0001 -0.0033 2867 LYS 78 NZ 0.0004 0.0006 -0.0039 2868 LYS 78 H 0.0017 -0.0007 -0.0006 2869 LYS 78 HA 0.0016 -0.0005 -0.0007 2870 LYS 78 HB3 0.0012 -0.0002 -0.0020 2871 LYS 78 HB2 0.0010 0.0005 -0.0014 2872 LYS 78 HG3 0.0012 -0.0001 -0.0018 2873 LYS 78 HG2 0.0013 -0.0008 -0.0023 2874 LYS 78 HD3 0.0007 0.0002 -0.0031 2875 LYS 78 HD2 0.0006 0.0008 -0.0026 2876 LYS 78 HE3 0.0008 0.0002 -0.0029 2877 LYS 78 HE2 0.0009 -0.0005 -0.0035 2878 LYS 78 HZ1 0.0003 0.0005 -0.0043 2879 LYS 78 HZ2 0.0004 0.0004 -0.0042 2880 LYS 78 HZ3 0.0002 0.0011 -0.0037 2881 MET 79 N 0.0008 -0.0023 -0.0038 2882 MET 79 CA 0.0001 -0.0022 -0.0036 2883 MET 79 C -0.0007 -0.0018 -0.0036 2884 MET 79 O -0.0008 -0.0014 -0.0038 2885 MET 79 CB 0.0004 -0.0017 -0.0040 2886 MET 79 CG 0.0012 -0.0020 -0.0041 2887 MET 79 SD 0.0012 -0.0028 -0.0036 2888 MET 79 CE 0.0007 -0.0023 -0.0038 2889 MET 79 H 0.0009 -0.0018 -0.0041 2890 MET 79 HA 0.0001 -0.0027 -0.0033 2891 MET 79 HB3 -0.0001 -0.0016 -0.0039 2892 MET 79 HB2 0.0004 -0.0011 -0.0044 2893 MET 79 HG3 0.0014 -0.0016 -0.0045 2894 MET 79 HG2 0.0017 -0.0022 -0.0042 2895 MET 79 HE1 0.0006 -0.0027 -0.0035 2896 MET 79 HE2 0.0011 -0.0019 -0.0041 2897 MET 79 HE3 0.0001 -0.0020 -0.0037 2898 SER 80 N -0.0014 -0.0020 -0.0032 2899 SER 80 CA -0.0022 -0.0016 -0.0031 2900 SER 80 C -0.0026 -0.0013 -0.0032 2901 SER 80 O -0.0024 -0.0015 -0.0031 2902 SER 80 CB -0.0027 -0.0022 -0.0026 2903 SER 80 OG -0.0025 -0.0023 -0.0026 2904 SER 80 H -0.0013 -0.0024 -0.0030 2905 SER 80 HA -0.0022 -0.0012 -0.0034 2906 SER 80 HB3 -0.0033 -0.0019 -0.0025 2907 SER 80 HB2 -0.0026 -0.0027 -0.0023 2908 SER 80 HG -0.0020 -0.0026 -0.0026 2909 PRO 81 N -0.0025 -0.0003 0.0006 2910 PRO 81 CA -0.0016 -0.0001 0.0006 2911 PRO 81 C -0.0021 -0.0010 -0.0000 2912 PRO 81 O -0.0033 -0.0016 -0.0004 2913 PRO 81 CB -0.0018 0.0011 0.0017 2914 PRO 81 CG -0.0034 0.0013 0.0019 2915 PRO 81 CD -0.0037 0.0006 0.0013 2916 PRO 81 HA -0.0004 -0.0003 0.0005 2917 PRO 81 HB3 -0.0011 0.0017 0.0021 2918 PRO 81 HB2 -0.0018 0.0012 0.0017 2919 PRO 81 HG3 -0.0036 0.0023 0.0026 2920 PRO 81 HG2 -0.0042 0.0010 0.0017 2921 PRO 81 HD2 -0.0048 0.0001 0.0010 2922 PRO 81 HD3 -0.0036 0.0011 0.0017 2923 ILE 82 N -0.0012 -0.0011 -0.0001 2924 ILE 82 CA -0.0018 -0.0016 -0.0005 2925 ILE 82 C -0.0013 -0.0008 0.0001 2926 ILE 82 O -0.0003 -0.0001 0.0006 2927 ILE 82 CB -0.0012 -0.0028 -0.0015 2928 ILE 82 CG1 0.0005 -0.0028 -0.0016 2929 ILE 82 CG2 -0.0018 -0.0038 -0.0022 2930 ILE 82 CD1 0.0012 -0.0039 -0.0025 2931 ILE 82 H -0.0001 -0.0008 0.0000 2932 ILE 82 HA -0.0030 -0.0017 -0.0005 2933 ILE 82 HB -0.0016 -0.0031 -0.0017 2934 ILE 82 HG13 0.0009 -0.0020 -0.0010 2935 ILE 82 HG12 0.0010 -0.0027 -0.0015 2936 ILE 82 HG21 -0.0013 -0.0046 -0.0029 2937 ILE 82 HG22 -0.0030 -0.0038 -0.0022 2938 ILE 82 HG23 -0.0014 -0.0035 -0.0020 2939 ILE 82 HD11 0.0024 -0.0038 -0.0025 2940 ILE 82 HD12 0.0008 -0.0040 -0.0025 2941 ILE 82 HD13 0.0008 -0.0047 -0.0031 2942 ASN 83 N 0.0012 0.0006 0.0007 2943 ASN 83 CA 0.0018 0.0003 0.0009 2944 ASN 83 C 0.0029 -0.0009 0.0006 2945 ASN 83 O 0.0028 -0.0016 -0.0004 2946 ASN 83 CB 0.0008 0.0005 0.0003 2947 ASN 83 CG -0.0003 0.0017 0.0007 2948 ASN 83 OD1 -0.0014 0.0019 -0.0002 2949 ASN 83 ND2 -0.0001 0.0024 0.0018 2950 ASN 83 H 0.0004 0.0006 -0.0001 2951 ASN 83 HA 0.0021 0.0008 0.0019 2952 ASN 83 HB3 0.0013 0.0003 0.0004 2953 ASN 83 HB2 0.0005 0.0000 -0.0007 2954 ASN 83 HD22 -0.0008 0.0032 0.0020 2955 ASN 83 HD21 0.0008 0.0022 0.0024 2956 MET 84 N 0.0039 -0.0011 0.0013 2957 MET 84 CA 0.0050 -0.0022 0.0010 2958 MET 84 C 0.0056 -0.0025 0.0012 2959 MET 84 O 0.0056 -0.0018 0.0021 2960 MET 84 CB 0.0059 -0.0024 0.0018 2961 MET 84 CG 0.0055 -0.0022 0.0015 2962 MET 84 SD 0.0066 -0.0025 0.0023 2963 MET 84 CE 0.0074 -0.0040 0.0013 2964 MET 84 H 0.0039 -0.0005 0.0021 2965 MET 84 HA 0.0047 -0.0027 0.0000 2966 MET 84 HB3 0.0068 -0.0032 0.0016 2967 MET 84 HB2 0.0062 -0.0018 0.0028 2968 MET 84 HG3 0.0047 -0.0013 0.0018 2969 MET 84 HG2 0.0051 -0.0026 0.0005 2970 MET 84 HE1 0.0082 -0.0043 0.0016 2971 MET 84 HE2 0.0078 -0.0043 0.0013 2972 MET 84 HE3 0.0068 -0.0042 0.0003 2973 LEU 85 N 0.0061 -0.0010 0.0026 2974 LEU 85 CA 0.0046 -0.0010 0.0020 2975 LEU 85 C 0.0048 -0.0017 0.0028 2976 LEU 85 O 0.0049 -0.0028 0.0040 2977 LEU 85 CB 0.0029 -0.0015 0.0020 2978 LEU 85 CG 0.0013 -0.0012 0.0011 2979 LEU 85 CD1 0.0014 0.0003 -0.0003 2980 LEU 85 CD2 -0.0003 -0.0020 0.0014 2981 LEU 85 H 0.0062 -0.0019 0.0035 2982 LEU 85 HA 0.0047 0.0000 0.0010 2983 LEU 85 HB3 0.0027 -0.0026 0.0030 2984 LEU 85 HB2 0.0031 -0.0012 0.0018 2985 LEU 85 HG 0.0011 -0.0014 0.0013 2986 LEU 85 HD11 0.0001 0.0005 -0.0010 2987 LEU 85 HD12 0.0025 0.0008 -0.0005 2988 LEU 85 HD13 0.0015 0.0006 -0.0006 2989 LEU 85 HD21 -0.0015 -0.0017 0.0007 2990 LEU 85 HD22 -0.0001 -0.0017 0.0012 2991 LEU 85 HD23 -0.0004 -0.0030 0.0024 2992 TYR 86 N 0.0047 -0.0011 0.0021 2993 TYR 86 CA 0.0051 -0.0016 0.0028 2994 TYR 86 C 0.0043 -0.0011 0.0020 2995 TYR 86 O 0.0036 -0.0002 0.0008 2996 TYR 86 CB 0.0071 -0.0013 0.0032 2997 TYR 86 CG 0.0079 0.0001 0.0020 2998 TYR 86 CD1 0.0085 0.0008 0.0015 2999 TYR 86 CD2 0.0081 0.0008 0.0013 3000 TYR 86 CE1 0.0092 0.0021 0.0004 3001 TYR 86 CE2 0.0088 0.0021 0.0003 3002 TYR 86 CZ 0.0094 0.0027 -0.0002 3003 TYR 86 OH 0.0101 0.0040 -0.0013 3004 TYR 86 H 0.0044 -0.0002 0.0011 3005 TYR 86 HA 0.0046 -0.0027 0.0037 3006 TYR 86 HB3 0.0077 -0.0018 0.0039 3007 TYR 86 HB2 0.0074 -0.0018 0.0037 3008 TYR 86 HD1 0.0084 0.0003 0.0020 3009 TYR 86 HD2 0.0076 0.0003 0.0017 3010 TYR 86 HE1 0.0097 0.0026 0.0001 3011 TYR 86 HE2 0.0089 0.0026 -0.0002 3012 TYR 86 HH 0.0099 0.0044 -0.0017 3013 PHE 87 N -0.0009 0.0006 0.0019 3014 PHE 87 CA -0.0015 0.0009 0.0013 3015 PHE 87 C 0.0001 0.0020 0.0011 3016 PHE 87 O 0.0016 0.0016 0.0021 3017 PHE 87 CB -0.0023 -0.0005 0.0023 3018 PHE 87 CG -0.0042 -0.0015 0.0024 3019 PHE 87 CD1 -0.0058 -0.0011 0.0013 3020 PHE 87 CD2 -0.0043 -0.0027 0.0035 3021 PHE 87 CE1 -0.0075 -0.0020 0.0013 3022 PHE 87 CE2 -0.0060 -0.0036 0.0035 3023 PHE 87 CZ -0.0076 -0.0032 0.0025 3024 PHE 87 H -0.0004 -0.0004 0.0030 3025 PHE 87 HA -0.0026 0.0015 0.0003 3026 PHE 87 HB3 -0.0025 -0.0002 0.0020 3027 PHE 87 HB2 -0.0013 -0.0012 0.0034 3028 PHE 87 HD1 -0.0058 -0.0001 0.0004 3029 PHE 87 HD2 -0.0030 -0.0031 0.0043 3030 PHE 87 HE1 -0.0088 -0.0016 0.0005 3031 PHE 87 HE2 -0.0061 -0.0046 0.0044 3032 PHE 87 HZ -0.0089 -0.0039 0.0025 3033 ASN 88 N -0.0001 0.0032 -0.0001 3034 ASN 88 CA 0.0014 0.0042 -0.0003 3035 ASN 88 C 0.0011 0.0035 0.0001 3036 ASN 88 O -0.0001 0.0024 0.0007 3037 ASN 88 CB 0.0014 0.0058 -0.0019 3038 ASN 88 CG -0.0004 0.0061 -0.0029 3039 ASN 88 OD1 -0.0016 0.0051 -0.0025 3040 ASN 88 ND2 -0.0006 0.0075 -0.0043 3041 ASN 88 H -0.0012 0.0036 -0.0009 3042 ASN 88 HA 0.0028 0.0041 0.0003 3043 ASN 88 HB3 0.0016 0.0063 -0.0021 3044 ASN 88 HB2 0.0026 0.0065 -0.0020 3045 ASN 88 HD22 -0.0018 0.0078 -0.0050 3046 ASN 88 HD21 0.0004 0.0083 -0.0045 3047 ASP 89 N -0.0173 0.0032 -0.0059 3048 ASP 89 CA -0.0130 0.0031 -0.0057 3049 ASP 89 C -0.0072 0.0027 -0.0041 3050 ASP 89 O -0.0029 0.0028 -0.0059 3051 ASP 89 CB -0.0150 0.0026 -0.0017 3052 ASP 89 CG -0.0196 0.0031 -0.0042 3053 ASP 89 OD1 -0.0204 0.0038 -0.0093 3054 ASP 89 OD2 -0.0225 0.0027 -0.0010 3055 ASP 89 H -0.0208 0.0030 -0.0035 3056 ASP 89 HA -0.0128 0.0037 -0.0099 3057 ASP 89 HB3 -0.0114 0.0023 -0.0007 3058 ASP 89 HB2 -0.0164 0.0021 0.0022 3059 LYS 90 N -0.0069 0.0022 -0.0007 3060 LYS 90 CA -0.0015 0.0018 0.0010 3061 LYS 90 C 0.0008 0.0024 -0.0034 3062 LYS 90 O 0.0051 0.0021 -0.0026 3063 LYS 90 CB -0.0020 0.0011 0.0066 3064 LYS 90 CG -0.0039 0.0004 0.0114 3065 LYS 90 CD -0.0069 -0.0001 0.0157 3066 LYS 90 CE -0.0074 -0.0008 0.0214 3067 LYS 90 NZ -0.0083 -0.0015 0.0259 3068 LYS 90 H -0.0105 0.0021 0.0007 3069 LYS 90 HA 0.0015 0.0017 0.0015 3070 LYS 90 HB3 0.0020 0.0008 0.0076 3071 LYS 90 HB2 -0.0049 0.0012 0.0060 3072 LYS 90 HG3 -0.0069 0.0007 0.0100 3073 LYS 90 HG2 -0.0003 0.0001 0.0133 3074 LYS 90 HD3 -0.0046 -0.0002 0.0162 3075 LYS 90 HD2 -0.0111 0.0003 0.0142 3076 LYS 90 HE3 -0.0109 -0.0007 0.0213 3077 LYS 90 HE2 -0.0036 -0.0011 0.0222 3078 LYS 90 HZ1 -0.0050 -0.0016 0.0260 3079 LYS 90 HZ2 -0.0086 -0.0020 0.0296 3080 LYS 90 HZ3 -0.0119 -0.0012 0.0251 3081 GLN 91 N -0.0063 0.0035 -0.0045 3082 GLN 91 CA -0.0067 0.0032 -0.0037 3083 GLN 91 C -0.0069 0.0034 -0.0045 3084 GLN 91 O -0.0077 0.0031 -0.0042 3085 GLN 91 CB -0.0080 0.0028 -0.0031 3086 GLN 91 CG -0.0079 0.0026 -0.0023 3087 GLN 91 CD -0.0069 0.0025 -0.0012 3088 GLN 91 OE1 -0.0065 0.0025 -0.0007 3089 GLN 91 NE2 -0.0064 0.0025 -0.0009 3090 GLN 91 H -0.0054 0.0037 -0.0042 3091 GLN 91 HA -0.0060 0.0032 -0.0029 3092 GLN 91 HB3 -0.0083 0.0025 -0.0025 3093 GLN 91 HB2 -0.0087 0.0028 -0.0039 3094 GLN 91 HG3 -0.0089 0.0022 -0.0020 3095 GLN 91 HG2 -0.0078 0.0028 -0.0030 3096 GLN 91 HE22 -0.0057 0.0025 -0.0001 3097 GLN 91 HE21 -0.0068 0.0025 -0.0013 3098 GLN 92 N -0.0061 0.0038 -0.0054 3099 GLN 92 CA -0.0060 0.0041 -0.0062 3100 GLN 92 C -0.0051 0.0041 -0.0055 3101 GLN 92 O -0.0041 0.0042 -0.0049 3102 GLN 92 CB -0.0056 0.0045 -0.0075 3103 GLN 92 CG -0.0066 0.0045 -0.0083 3104 GLN 92 CD -0.0060 0.0050 -0.0096 3105 GLN 92 OE1 -0.0049 0.0053 -0.0096 3106 GLN 92 NE2 -0.0068 0.0051 -0.0106 3107 GLN 92 H -0.0055 0.0040 -0.0057 3108 GLN 92 HA -0.0070 0.0038 -0.0062 3109 GLN 92 HB3 -0.0055 0.0047 -0.0080 3110 GLN 92 HB2 -0.0047 0.0047 -0.0075 3111 GLN 92 HG3 -0.0068 0.0043 -0.0078 3112 GLN 92 HG2 -0.0075 0.0044 -0.0085 3113 GLN 92 HE22 -0.0065 0.0054 -0.0114 3114 GLN 92 HE21 -0.0078 0.0048 -0.0105 3115 ILE 93 N -0.0061 0.0039 -0.0043 3116 ILE 93 CA -0.0052 0.0036 -0.0035 3117 ILE 93 C -0.0033 0.0057 -0.0050 3118 ILE 93 O -0.0043 0.0072 -0.0070 3119 ILE 93 CB -0.0077 0.0027 -0.0037 3120 ILE 93 CG1 -0.0096 0.0006 -0.0023 3121 ILE 93 CG2 -0.0067 0.0023 -0.0028 3122 ILE 93 CD1 -0.0124 -0.0002 -0.0028 3123 ILE 93 H -0.0081 0.0040 -0.0053 3124 ILE 93 HA -0.0039 0.0025 -0.0018 3125 ILE 93 HB -0.0089 0.0038 -0.0054 3126 ILE 93 HG13 -0.0099 0.0008 -0.0026 3127 ILE 93 HG12 -0.0085 -0.0006 -0.0005 3128 ILE 93 HG21 -0.0085 0.0017 -0.0029 3129 ILE 93 HG22 -0.0054 0.0039 -0.0039 3130 ILE 93 HG23 -0.0054 0.0013 -0.0011 3131 ILE 93 HD11 -0.0137 -0.0017 -0.0017 3132 ILE 93 HD12 -0.0135 0.0010 -0.0045 3133 ILE 93 HD13 -0.0122 -0.0004 -0.0024 3134 ILE 94 N -0.0007 0.0059 -0.0039 3135 ILE 94 CA 0.0013 0.0078 -0.0051 3136 ILE 94 C 0.0026 0.0075 -0.0042 3137 ILE 94 O 0.0036 0.0060 -0.0021 3138 ILE 94 CB 0.0037 0.0087 -0.0049 3139 ILE 94 CG1 0.0025 0.0090 -0.0058 3140 ILE 94 CG2 0.0058 0.0107 -0.0061 3141 ILE 94 CD1 0.0010 0.0107 -0.0083 3142 ILE 94 H 0.0000 0.0046 -0.0022 3143 ILE 94 HA 0.0002 0.0090 -0.0068 3144 ILE 94 HB 0.0048 0.0075 -0.0031 3145 ILE 94 HG13 0.0042 0.0095 -0.0055 3146 ILE 94 HG12 0.0011 0.0075 -0.0049 3147 ILE 94 HG21 0.0075 0.0113 -0.0060 3148 ILE 94 HG22 0.0067 0.0104 -0.0053 3149 ILE 94 HG23 0.0048 0.0119 -0.0079 3150 ILE 94 HD11 0.0002 0.0108 -0.0088 3151 ILE 94 HD12 0.0024 0.0122 -0.0093 3152 ILE 94 HD13 -0.0008 0.0102 -0.0086 3153 TYR 95 N 0.0038 0.0044 0.0005 3154 TYR 95 CA 0.0035 0.0040 0.0006 3155 TYR 95 C 0.0045 0.0049 0.0006 3156 TYR 95 O 0.0047 0.0062 0.0005 3157 TYR 95 CB 0.0019 0.0042 0.0004 3158 TYR 95 CG 0.0017 0.0040 0.0004 3159 TYR 95 CD1 0.0014 0.0026 0.0005 3160 TYR 95 CD2 0.0016 0.0051 0.0003 3161 TYR 95 CE1 0.0011 0.0024 0.0005 3162 TYR 95 CE2 0.0014 0.0049 0.0003 3163 TYR 95 CZ 0.0011 0.0036 0.0004 3164 TYR 95 OH 0.0009 0.0033 0.0004 3165 TYR 95 H 0.0032 0.0053 0.0004 3166 TYR 95 HA 0.0038 0.0028 0.0007 3167 TYR 95 HB3 0.0016 0.0053 0.0003 3168 TYR 95 HB2 0.0013 0.0034 0.0004 3169 TYR 95 HD1 0.0014 0.0017 0.0006 3170 TYR 95 HD2 0.0018 0.0062 0.0002 3171 TYR 95 HE1 0.0009 0.0013 0.0006 3172 TYR 95 HE2 0.0014 0.0059 0.0002 3173 TYR 95 HH 0.0007 0.0023 0.0005 3174 GLY 96 N 0.0052 0.0042 0.0007 3175 GLY 96 CA 0.0062 0.0050 0.0007 3176 GLY 96 C 0.0065 0.0042 0.0008 3177 GLY 96 O 0.0066 0.0029 0.0009 3178 GLY 96 H 0.0051 0.0031 0.0008 3179 GLY 96 HA3 0.0072 0.0052 0.0008 3180 GLY 96 HA2 0.0057 0.0061 0.0006 3181 LYS 97 N 0.0022 0.0054 0.0054 3182 LYS 97 CA 0.0006 0.0050 0.0044 3183 LYS 97 C 0.0017 0.0049 0.0044 3184 LYS 97 O 0.0023 0.0058 0.0061 3185 LYS 97 CB -0.0019 0.0058 0.0055 3186 LYS 97 CG -0.0041 0.0051 0.0040 3187 LYS 97 CD -0.0063 0.0059 0.0051 3188 LYS 97 CE -0.0057 0.0067 0.0066 3189 LYS 97 NZ -0.0078 0.0077 0.0081 3190 LYS 97 H 0.0021 0.0063 0.0070 3191 LYS 97 HA 0.0002 0.0041 0.0027 3192 LYS 97 HB3 -0.0018 0.0064 0.0067 3193 LYS 97 HB2 -0.0021 0.0063 0.0064 3194 LYS 97 HG3 -0.0044 0.0046 0.0031 3195 LYS 97 HG2 -0.0036 0.0044 0.0028 3196 LYS 97 HD3 -0.0070 0.0064 0.0060 3197 LYS 97 HD2 -0.0077 0.0053 0.0040 3198 LYS 97 HE3 -0.0054 0.0062 0.0057 3199 LYS 97 HE2 -0.0041 0.0071 0.0076 3200 LYS 97 HZ1 -0.0080 0.0082 0.0090 3201 LYS 97 HZ2 -0.0073 0.0082 0.0091 3202 LYS 97 HZ3 -0.0093 0.0073 0.0073 3203 ILE 98 N 0.0021 0.0038 0.0025 3204 ILE 98 CA 0.0034 0.0036 0.0023 3205 ILE 98 C 0.0017 0.0034 0.0018 3206 ILE 98 O 0.0007 0.0025 -0.0000 3207 ILE 98 CB 0.0053 0.0025 0.0006 3208 ILE 98 CG1 0.0069 0.0026 0.0009 3209 ILE 98 CG2 0.0068 0.0024 0.0005 3210 ILE 98 CD1 0.0084 0.0036 0.0030 3211 ILE 98 H 0.0015 0.0031 0.0012 3212 ILE 98 HA 0.0044 0.0044 0.0038 3213 ILE 98 HB 0.0043 0.0017 -0.0010 3214 ILE 98 HG13 0.0081 0.0018 -0.0004 3215 ILE 98 HG12 0.0058 0.0027 0.0009 3216 ILE 98 HG21 0.0081 0.0016 -0.0008 3217 ILE 98 HG22 0.0056 0.0022 0.0001 3218 ILE 98 HG23 0.0077 0.0031 0.0020 3219 ILE 98 HD11 0.0095 0.0036 0.0031 3220 ILE 98 HD12 0.0097 0.0035 0.0030 3221 ILE 98 HD13 0.0073 0.0045 0.0043 3222 PRO 99 N 0.0000 0.0039 -0.0004 3223 PRO 99 CA -0.0009 0.0028 -0.0010 3224 PRO 99 C -0.0003 0.0019 -0.0028 3225 PRO 99 O 0.0011 0.0024 -0.0036 3226 PRO 99 CB -0.0008 0.0035 -0.0002 3227 PRO 99 CG -0.0002 0.0049 0.0012 3228 PRO 99 CD 0.0008 0.0052 0.0006 3229 PRO 99 HA -0.0021 0.0021 -0.0006 3230 PRO 99 HB3 -0.0019 0.0030 0.0003 3231 PRO 99 HB2 0.0001 0.0035 -0.0010 3232 PRO 99 HG3 -0.0012 0.0049 0.0022 3233 PRO 99 HG2 0.0005 0.0056 0.0014 3234 PRO 99 HD2 0.0020 0.0056 -0.0002 3235 PRO 99 HD3 0.0007 0.0059 0.0016 3236 GLY 100 N -0.0013 0.0007 -0.0035 3237 GLY 100 CA -0.0009 -0.0002 -0.0052 3238 GLY 100 C -0.0002 -0.0006 -0.0064 3239 GLY 100 O 0.0009 -0.0007 -0.0077 3240 GLY 100 H -0.0025 0.0003 -0.0028 3241 GLY 100 HA3 -0.0000 0.0003 -0.0054 3242 GLY 100 HA2 -0.0019 -0.0011 -0.0054 3243 MET 101 N -0.0008 -0.0021 -0.0033 3244 MET 101 CA -0.0008 -0.0025 -0.0035 3245 MET 101 C -0.0010 -0.0029 -0.0036 3246 MET 101 O -0.0008 -0.0033 -0.0037 3247 MET 101 CB -0.0011 -0.0025 -0.0035 3248 MET 101 CG -0.0008 -0.0023 -0.0034 3249 MET 101 SD -0.0003 -0.0027 -0.0034 3250 MET 101 CE -0.0006 -0.0032 -0.0037 3251 MET 101 H -0.0011 -0.0019 -0.0033 3252 MET 101 HA -0.0004 -0.0027 -0.0034 3253 MET 101 HB3 -0.0012 -0.0029 -0.0037 3254 MET 101 HB2 -0.0014 -0.0024 -0.0035 3255 MET 101 HG3 -0.0011 -0.0023 -0.0035 3256 MET 101 HG2 -0.0007 -0.0020 -0.0033 3257 MET 101 HE1 -0.0003 -0.0034 -0.0037 3258 MET 101 HE2 -0.0008 -0.0031 -0.0037 3259 MET 101 HE3 -0.0008 -0.0033 -0.0037 3260 VAL 102 N -0.0014 -0.0027 -0.0036 3261 VAL 102 CA -0.0016 -0.0030 -0.0038 3262 VAL 102 C -0.0015 -0.0028 -0.0037 3263 VAL 102 O -0.0015 -0.0024 -0.0036 3264 VAL 102 CB -0.0021 -0.0030 -0.0039 3265 VAL 102 CG1 -0.0024 -0.0033 -0.0040 3266 VAL 102 CG2 -0.0022 -0.0032 -0.0040 3267 VAL 102 H -0.0015 -0.0024 -0.0036 3268 VAL 102 HA -0.0014 -0.0034 -0.0039 3269 VAL 102 HB -0.0023 -0.0026 -0.0038 3270 VAL 102 HG11 -0.0028 -0.0033 -0.0041 3271 VAL 102 HG12 -0.0023 -0.0031 -0.0040 3272 VAL 102 HG13 -0.0022 -0.0036 -0.0041 3273 VAL 102 HG21 -0.0026 -0.0032 -0.0041 3274 VAL 102 HG22 -0.0021 -0.0035 -0.0041 3275 VAL 102 HG23 -0.0021 -0.0029 -0.0039 3276 VAL 103 N 0.0004 -0.0027 -0.0030 3277 VAL 103 CA 0.0007 -0.0022 -0.0028 3278 VAL 103 C 0.0009 -0.0018 -0.0032 3279 VAL 103 O 0.0009 -0.0018 -0.0032 3280 VAL 103 CB 0.0007 -0.0021 -0.0022 3281 VAL 103 CG1 0.0009 -0.0015 -0.0020 3282 VAL 103 CG2 0.0005 -0.0024 -0.0019 3283 VAL 103 H 0.0003 -0.0028 -0.0029 3284 VAL 103 HA 0.0007 -0.0021 -0.0029 3285 VAL 103 HB 0.0006 -0.0022 -0.0021 3286 VAL 103 HG11 0.0009 -0.0015 -0.0016 3287 VAL 103 HG12 0.0011 -0.0013 -0.0023 3288 VAL 103 HG13 0.0010 -0.0014 -0.0021 3289 VAL 103 HG21 0.0005 -0.0023 -0.0014 3290 VAL 103 HG22 0.0006 -0.0023 -0.0019 3291 VAL 103 HG23 0.0003 -0.0028 -0.0020 3292 ASP 104 N 0.0011 -0.0015 -0.0034 3293 ASP 104 CA 0.0013 -0.0011 -0.0038 3294 ASP 104 C 0.0015 -0.0006 -0.0034 3295 ASP 104 O 0.0017 -0.0003 -0.0035 3296 ASP 104 CB 0.0014 -0.0010 -0.0043 3297 ASP 104 CG 0.0011 -0.0014 -0.0046 3298 ASP 104 OD1 0.0010 -0.0017 -0.0047 3299 ASP 104 OD2 0.0011 -0.0015 -0.0049 3300 ASP 104 H 0.0011 -0.0015 -0.0034 3301 ASP 104 HA 0.0012 -0.0012 -0.0039 3302 ASP 104 HB3 0.0015 -0.0007 -0.0045 3303 ASP 104 HB2 0.0014 -0.0008 -0.0041 3304 ARG 105 N 0.0023 -0.0001 -0.0019 3305 ARG 105 CA 0.0018 0.0003 -0.0017 3306 ARG 105 C 0.0020 0.0003 -0.0012 3307 ARG 105 O 0.0024 0.0000 -0.0006 3308 ARG 105 CB 0.0013 0.0009 -0.0015 3309 ARG 105 CG 0.0008 0.0014 -0.0013 3310 ARG 105 CD 0.0003 0.0019 -0.0010 3311 ARG 105 NE 0.0003 0.0018 -0.0013 3312 ARG 105 CZ 0.0002 0.0020 -0.0010 3313 ARG 105 NH1 0.0001 0.0023 -0.0002 3314 ARG 105 NH2 0.0002 0.0019 -0.0014 3315 ARG 105 H 0.0026 -0.0004 -0.0014 3316 ARG 105 HA 0.0016 0.0004 -0.0023 3317 ARG 105 HB3 0.0015 0.0008 -0.0009 3318 ARG 105 HB2 0.0011 0.0009 -0.0019 3319 ARG 105 HG3 0.0006 0.0015 -0.0018 3320 ARG 105 HG2 0.0009 0.0013 -0.0008 3321 ARG 105 HD3 -0.0001 0.0023 -0.0011 3322 ARG 105 HD2 0.0004 0.0019 -0.0003 3323 ARG 105 HE 0.0004 0.0016 -0.0019 3324 ARG 105 HH12 -0.0000 0.0024 0.0000 3325 ARG 105 HH11 0.0001 0.0023 0.0000 3326 ARG 105 HH22 0.0001 0.0021 -0.0011 3327 ARG 105 HH21 0.0003 0.0017 -0.0019 3328 CYS 106 N 0.0018 0.0005 -0.0013 3329 CYS 106 CA 0.0019 0.0004 -0.0009 3330 CYS 106 C 0.0014 0.0010 -0.0005 3331 CYS 106 O 0.0009 0.0014 -0.0009 3332 CYS 106 CB 0.0022 0.0001 -0.0014 3333 CYS 106 SG 0.0028 -0.0006 -0.0017 3334 CYS 106 H 0.0015 0.0006 -0.0018 3335 CYS 106 HA 0.0023 0.0002 -0.0004 3336 CYS 106 HB3 0.0022 0.0001 -0.0010 3337 CYS 106 HB2 0.0018 0.0003 -0.0019 3338 GLY 107 N 0.0032 -0.0018 0.0038 3339 GLY 107 CA 0.0031 -0.0017 0.0039 3340 GLY 107 C 0.0033 -0.0017 0.0039 3341 GLY 107 O 0.0035 -0.0017 0.0039 3342 GLY 107 H 0.0034 -0.0017 0.0039 3343 GLY 107 HA3 0.0030 -0.0016 0.0040 3344 GLY 107 HA2 0.0030 -0.0018 0.0038 3345 CYS 108 N 0.0032 -0.0017 0.0039 3346 CYS 108 CA 0.0034 -0.0017 0.0039 3347 CYS 108 C 0.0034 -0.0016 0.0041 3348 CYS 108 O 0.0033 -0.0015 0.0042 3349 CYS 108 CB 0.0033 -0.0018 0.0038 3350 CYS 108 SG 0.0033 -0.0020 0.0035 3351 CYS 108 H 0.0031 -0.0017 0.0039 3352 CYS 108 HA 0.0036 -0.0018 0.0038 3353 CYS 108 HB3 0.0034 -0.0018 0.0038 3354 CYS 108 HB2 0.0031 -0.0018 0.0038 3355 SER 109 N 0.0040 -0.0040 0.0028 3356 SER 109 CA 0.0040 -0.0041 0.0022 3357 SER 109 C 0.0038 -0.0040 0.0017 3358 SER 109 O 0.0035 -0.0037 0.0018 3359 SER 109 CB 0.0036 -0.0037 0.0021 3360 SER 109 OG 0.0037 -0.0038 0.0026 3361 SER 109 OXT 0.0040 -0.0042 0.0012 3362 SER 109 H 0.0037 -0.0038 0.0030 3363 SER 109 HA 0.0043 -0.0044 0.0021 3364 SER 109 HB3 0.0036 -0.0038 0.0017 3365 SER 109 HB2 0.0032 -0.0034 0.0022 3366 SER 109 HG 0.0037 -0.0037 0.0030