1 PRO 1 N 0.0223 -0.0144 0.0050 2 PRO 1 CA 0.0252 -0.0132 0.0067 3 PRO 1 C 0.0234 -0.0169 0.0054 4 PRO 1 O 0.0193 -0.0199 0.0031 5 PRO 1 CB 0.0239 -0.0065 0.0063 6 PRO 1 CG 0.0185 -0.0057 0.0033 7 PRO 1 CD 0.0184 -0.0096 0.0031 8 GLN 2 N 0.0399 -0.0279 0.0093 9 GLN 2 CA 0.0297 -0.0287 0.0078 10 GLN 2 C 0.0277 -0.0168 0.0013 11 GLN 2 O 0.0362 -0.0106 -0.0004 12 GLN 2 CB 0.0329 -0.0352 0.0118 13 GLN 2 CG 0.0236 -0.0344 0.0096 14 GLN 2 CD 0.0249 -0.0430 0.0144 15 GLN 2 OE1 0.0292 -0.0403 0.0138 16 GLN 2 NE2 0.0209 -0.0535 0.0190 17 ILE 3 N 0.0138 -0.0109 -0.0014 18 ILE 3 CA 0.0118 -0.0032 -0.0054 19 ILE 3 C 0.0058 0.0016 -0.0055 20 ILE 3 O -0.0009 0.0004 -0.0015 21 ILE 3 CB 0.0087 -0.0027 -0.0042 22 ILE 3 CG1 0.0149 -0.0076 -0.0040 23 ILE 3 CG2 0.0066 0.0053 -0.0082 24 ILE 3 CD1 0.0123 -0.0080 -0.0026 25 THR 4 N 0.0056 0.0094 -0.0191 26 THR 4 CA -0.0062 0.0252 -0.0198 27 THR 4 C -0.0109 0.0308 -0.0191 28 THR 4 O -0.0039 0.0238 -0.0224 29 THR 4 CB -0.0058 0.0343 -0.0359 30 THR 4 OG1 0.0028 0.0320 -0.0507 31 THR 4 CG2 -0.0023 0.0299 -0.0362 32 LEU 5 N -0.0145 0.0399 -0.0154 33 LEU 5 CA -0.0202 0.0448 -0.0117 34 LEU 5 C -0.0220 0.0563 -0.0195 35 LEU 5 O -0.0285 0.0630 -0.0160 36 LEU 5 CB -0.0287 0.0456 0.0000 37 LEU 5 CG -0.0271 0.0338 0.0085 38 LEU 5 CD1 -0.0352 0.0348 0.0194 39 LEU 5 CD2 -0.0242 0.0273 0.0102 40 TRP 6 N -0.0220 0.0600 -0.0342 41 TRP 6 CA -0.0259 0.0728 -0.0501 42 TRP 6 C -0.0208 0.0636 -0.0512 43 TRP 6 O -0.0261 0.0747 -0.0541 44 TRP 6 CB -0.0229 0.0755 -0.0741 45 TRP 6 CG -0.0271 0.0833 -0.0741 46 TRP 6 CD1 -0.0211 0.0718 -0.0733 47 TRP 6 CD2 -0.0380 0.1045 -0.0750 48 TRP 6 NE1 -0.0278 0.0844 -0.0736 49 TRP 6 CE2 -0.0381 0.1045 -0.0746 50 TRP 6 CE3 -0.0478 0.1232 -0.0759 51 TRP 6 CZ2 -0.0477 0.1228 -0.0752 52 TRP 6 CZ3 -0.0573 0.1415 -0.0767 53 TRP 6 CH2 -0.0571 0.1410 -0.0762 54 GLN 7 N -0.0158 0.0513 -0.0465 55 GLN 7 CA -0.0121 0.0432 -0.0449 56 GLN 7 C -0.0115 0.0345 -0.0266 57 GLN 7 O -0.0127 0.0329 -0.0167 58 GLN 7 CB -0.0032 0.0310 -0.0586 59 GLN 7 CG -0.0029 0.0378 -0.0771 60 GLN 7 CD -0.0091 0.0528 -0.0829 61 GLN 7 OE1 -0.0105 0.0540 -0.0791 62 GLN 7 NE2 -0.0131 0.0644 -0.0921 63 ARG 8 N -0.0078 0.0246 -0.0186 64 ARG 8 CA -0.0059 0.0202 -0.0100 65 ARG 8 C -0.0019 0.0131 -0.0098 66 ARG 8 O 0.0010 0.0089 -0.0164 67 ARG 8 CB -0.0044 0.0174 -0.0091 68 ARG 8 CG -0.0083 0.0241 -0.0081 69 ARG 8 CD -0.0067 0.0211 -0.0076 70 ARG 8 NE -0.0105 0.0276 -0.0064 71 ARG 8 CZ -0.0101 0.0270 -0.0067 72 ARG 8 NH1 -0.0060 0.0201 -0.0083 73 ARG 8 NH2 -0.0138 0.0333 -0.0055 74 PRO 9 N -0.0018 0.0102 -0.0039 75 PRO 9 CA 0.0009 0.0059 -0.0032 76 PRO 9 C 0.0026 0.0032 -0.0027 77 PRO 9 O 0.0021 0.0005 0.0008 78 PRO 9 CB -0.0011 0.0046 0.0009 79 PRO 9 CG -0.0048 0.0073 0.0032 80 PRO 9 CD -0.0054 0.0114 -0.0002 81 VAL 10 N 0.0030 0.0035 -0.0052 82 VAL 10 CA 0.0033 0.0040 -0.0054 83 VAL 10 C 0.0050 0.0030 -0.0051 84 VAL 10 O 0.0064 0.0029 -0.0051 85 VAL 10 CB 0.0036 0.0059 -0.0062 86 VAL 10 CG1 0.0040 0.0065 -0.0065 87 VAL 10 CG2 0.0018 0.0069 -0.0066 88 VAL 11 N 0.0044 0.0030 -0.0013 89 VAL 11 CA 0.0059 0.0018 -0.0011 90 VAL 11 C 0.0062 0.0020 -0.0013 91 VAL 11 O 0.0050 0.0028 -0.0014 92 VAL 11 CB 0.0055 -0.0001 -0.0002 93 VAL 11 CG1 0.0053 -0.0005 -0.0000 94 VAL 11 CG2 0.0036 -0.0005 0.0004 95 THR 12 N 0.0068 0.0027 0.0002 96 THR 12 CA 0.0072 0.0032 0.0000 97 THR 12 C 0.0066 0.0022 0.0005 98 THR 12 O 0.0069 0.0010 0.0010 99 THR 12 CB 0.0088 0.0035 0.0000 100 THR 12 OG1 0.0093 0.0045 -0.0004 101 THR 12 CG2 0.0091 0.0038 -0.0001 102 ILE 13 N 0.0056 0.0023 0.0009 103 ILE 13 CA 0.0050 0.0014 0.0011 104 ILE 13 C 0.0056 0.0020 0.0010 105 ILE 13 O 0.0061 0.0032 0.0007 106 ILE 13 CB 0.0033 0.0013 0.0010 107 ILE 13 CG1 0.0027 0.0027 0.0004 108 ILE 13 CG2 0.0027 0.0008 0.0011 109 ILE 13 CD1 0.0010 0.0027 0.0002 110 LYS 14 N 0.0054 0.0021 0.0019 111 LYS 14 CA 0.0058 0.0024 0.0018 112 LYS 14 C 0.0045 0.0019 0.0019 113 LYS 14 O 0.0041 0.0006 0.0022 114 LYS 14 CB 0.0073 0.0016 0.0021 115 LYS 14 CG 0.0081 0.0023 0.0019 116 LYS 14 CD 0.0097 0.0018 0.0021 117 LYS 14 CE 0.0106 0.0026 0.0019 118 LYS 14 NZ 0.0121 0.0020 0.0021 119 ILE 15 N 0.0031 0.0030 0.0014 120 ILE 15 CA 0.0019 0.0028 0.0012 121 ILE 15 C 0.0016 0.0039 0.0011 122 ILE 15 O 0.0018 0.0050 0.0010 123 ILE 15 CB 0.0008 0.0026 0.0010 124 ILE 15 CG1 -0.0005 0.0022 0.0008 125 ILE 15 CG2 0.0007 0.0038 0.0009 126 ILE 15 CD1 -0.0015 0.0019 0.0007 127 GLY 16 N 0.0004 0.0040 0.0014 128 GLY 16 CA -0.0005 0.0046 0.0019 129 GLY 16 C 0.0012 0.0053 0.0015 130 GLY 16 O 0.0009 0.0068 0.0019 131 GLY 17 N 0.0031 0.0037 0.0014 132 GLY 17 CA 0.0046 0.0043 0.0014 133 GLY 17 C 0.0049 0.0057 0.0011 134 GLY 17 O 0.0057 0.0067 0.0010 135 GLN 18 N 0.0040 0.0049 0.0009 136 GLN 18 CA 0.0044 0.0065 0.0010 137 GLN 18 C 0.0054 0.0061 0.0009 138 GLN 18 O 0.0050 0.0050 0.0008 139 GLN 18 CB 0.0029 0.0075 0.0013 140 GLN 18 CG 0.0020 0.0082 0.0014 141 GLN 18 CD 0.0003 0.0088 0.0017 142 GLN 18 OE1 -0.0009 0.0079 0.0017 143 GLN 18 NE2 0.0002 0.0102 0.0018 144 LEU 19 N 0.0066 0.0067 0.0002 145 LEU 19 CA 0.0069 0.0063 0.0003 146 LEU 19 C 0.0058 0.0072 0.0000 147 LEU 19 O 0.0057 0.0085 -0.0003 148 LEU 19 CB 0.0085 0.0066 0.0004 149 LEU 19 CG 0.0096 0.0055 0.0007 150 LEU 19 CD1 0.0112 0.0059 0.0007 151 LEU 19 CD2 0.0092 0.0040 0.0010 152 LYS 20 N 0.0047 0.0047 -0.0002 153 LYS 20 CA 0.0040 0.0058 -0.0001 154 LYS 20 C 0.0045 0.0057 -0.0002 155 LYS 20 O 0.0053 0.0047 -0.0003 156 LYS 20 CB 0.0024 0.0056 0.0003 157 LYS 20 CG 0.0017 0.0058 0.0004 158 LYS 20 CD 0.0002 0.0062 0.0007 159 LYS 20 CE -0.0005 0.0064 0.0009 160 LYS 20 NZ -0.0011 0.0050 0.0010 161 GLU 21 N 0.0033 0.0053 -0.0019 162 GLU 21 CA 0.0030 0.0051 -0.0018 163 GLU 21 C 0.0014 0.0048 -0.0015 164 GLU 21 O 0.0005 0.0054 -0.0016 165 GLU 21 CB 0.0033 0.0064 -0.0025 166 GLU 21 CG 0.0049 0.0068 -0.0028 167 GLU 21 CD 0.0060 0.0060 -0.0026 168 GLU 21 OE1 0.0059 0.0062 -0.0026 169 GLU 21 OE2 0.0068 0.0052 -0.0023 170 ALA 22 N 0.0015 0.0034 -0.0016 171 ALA 22 CA 0.0002 0.0031 -0.0013 172 ALA 22 C 0.0001 0.0028 -0.0012 173 ALA 22 O 0.0011 0.0023 -0.0011 174 ALA 22 CB -0.0003 0.0021 -0.0009 175 LEU 23 N -0.0022 0.0035 -0.0008 176 LEU 23 CA -0.0029 0.0038 -0.0006 177 LEU 23 C -0.0036 0.0019 0.0007 178 LEU 23 O -0.0051 0.0011 0.0018 179 LEU 23 CB -0.0046 0.0058 -0.0007 180 LEU 23 CG -0.0056 0.0064 -0.0006 181 LEU 23 CD1 -0.0040 0.0073 -0.0018 182 LEU 23 CD2 -0.0077 0.0080 -0.0003 183 LEU 24 N -0.0036 0.0011 0.0013 184 LEU 24 CA -0.0045 -0.0005 0.0028 185 LEU 24 C -0.0069 0.0001 0.0031 186 LEU 24 O -0.0072 0.0008 0.0026 187 LEU 24 CB -0.0031 -0.0016 0.0032 188 LEU 24 CG -0.0008 -0.0025 0.0032 189 LEU 24 CD1 0.0004 -0.0035 0.0035 190 LEU 24 CD2 -0.0009 -0.0039 0.0042 191 ASN 25 N -0.0085 -0.0020 0.0017 192 ASN 25 CA -0.0105 -0.0027 0.0006 193 ASN 25 C -0.0118 -0.0046 0.0010 194 ASN 25 O -0.0125 -0.0044 0.0003 195 ASN 25 CB -0.0114 -0.0010 -0.0013 196 ASN 25 CG -0.0133 -0.0015 -0.0025 197 ASN 25 OD1 -0.0144 -0.0032 -0.0021 198 ASN 25 ND2 -0.0138 0.0001 -0.0041 199 THR 26 N -0.0173 -0.0091 -0.0002 200 THR 26 CA -0.0179 -0.0084 0.0025 201 THR 26 C -0.0183 -0.0091 0.0007 202 THR 26 O -0.0181 -0.0084 0.0025 203 THR 26 CB -0.0213 -0.0084 0.0052 204 THR 26 OG1 -0.0246 -0.0100 0.0033 205 THR 26 CG2 -0.0208 -0.0075 0.0073 206 GLY 27 N -0.0187 -0.0088 -0.0010 207 GLY 27 CA -0.0197 -0.0091 -0.0027 208 GLY 27 C -0.0187 -0.0081 -0.0039 209 GLY 27 O -0.0193 -0.0083 -0.0052 210 ALA 28 N -0.0148 -0.0066 -0.0022 211 ALA 28 CA -0.0139 -0.0056 -0.0032 212 ALA 28 C -0.0132 -0.0058 -0.0018 213 ALA 28 O -0.0123 -0.0059 -0.0001 214 ALA 28 CB -0.0123 -0.0042 -0.0039 215 ASP 29 N -0.0133 -0.0058 -0.0023 216 ASP 29 CA -0.0126 -0.0060 -0.0007 217 ASP 29 C -0.0102 -0.0048 -0.0004 218 ASP 29 O -0.0092 -0.0050 0.0014 219 ASP 29 CB -0.0135 -0.0062 -0.0015 220 ASP 29 CG -0.0159 -0.0073 -0.0020 221 ASP 29 OD1 -0.0167 -0.0072 -0.0034 222 ASP 29 OD2 -0.0168 -0.0082 -0.0009 223 ASP 30 N -0.0060 -0.0042 -0.0029 224 ASP 30 CA -0.0051 -0.0025 -0.0029 225 ASP 30 C -0.0060 -0.0031 -0.0023 226 ASP 30 O -0.0070 -0.0050 -0.0024 227 ASP 30 CB -0.0033 -0.0022 -0.0048 228 ASP 30 CG -0.0023 -0.0015 -0.0054 229 ASP 30 OD1 -0.0014 -0.0026 -0.0070 230 ASP 30 OD2 -0.0025 -0.0000 -0.0043 231 THR 31 N -0.0052 -0.0015 -0.0020 232 THR 31 CA -0.0046 -0.0009 -0.0019 233 THR 31 C -0.0046 -0.0000 -0.0027 234 THR 31 O -0.0045 0.0004 -0.0031 235 THR 31 CB -0.0039 -0.0006 -0.0010 236 THR 31 OG1 -0.0039 -0.0014 -0.0002 237 THR 31 CG2 -0.0032 0.0002 -0.0009 238 VAL 32 N -0.0031 0.0012 -0.0024 239 VAL 32 CA -0.0036 0.0015 -0.0018 240 VAL 32 C -0.0039 0.0018 -0.0008 241 VAL 32 O -0.0033 0.0016 -0.0002 242 VAL 32 CB -0.0029 0.0012 -0.0015 243 VAL 32 CG1 -0.0035 0.0015 -0.0009 244 VAL 32 CG2 -0.0026 0.0009 -0.0024 245 LEU 33 N -0.0037 0.0024 -0.0000 246 LEU 33 CA -0.0036 0.0027 0.0003 247 LEU 33 C -0.0040 0.0030 0.0007 248 LEU 33 O -0.0045 0.0030 0.0007 249 LEU 33 CB -0.0039 0.0025 0.0000 250 LEU 33 CG -0.0035 0.0021 -0.0004 251 LEU 33 CD1 -0.0037 0.0020 -0.0006 252 LEU 33 CD2 -0.0028 0.0022 -0.0002 253 GLU 34 N -0.0042 0.0030 0.0021 254 GLU 34 CA -0.0046 0.0032 0.0027 255 GLU 34 C -0.0053 0.0028 0.0027 256 GLU 34 O -0.0054 0.0023 0.0022 257 GLU 34 CB -0.0043 0.0035 0.0029 258 GLU 34 CG -0.0036 0.0039 0.0029 259 GLU 34 CD -0.0034 0.0041 0.0030 260 GLU 34 OE1 -0.0037 0.0042 0.0034 261 GLU 34 OE2 -0.0028 0.0043 0.0027 262 GLU 35 N -0.0060 0.0048 0.0045 263 GLU 35 CA -0.0073 0.0051 0.0041 264 GLU 35 C -0.0079 0.0054 0.0041 265 GLU 35 O -0.0078 0.0055 0.0050 266 GLU 35 CB -0.0079 0.0055 0.0049 267 GLU 35 CG -0.0092 0.0059 0.0045 268 GLU 35 CD -0.0094 0.0056 0.0031 269 GLU 35 OE1 -0.0089 0.0053 0.0027 270 GLU 35 OE2 -0.0101 0.0057 0.0024 271 VAL 36 N -0.0077 0.0074 0.0031 272 VAL 36 CA -0.0078 0.0075 0.0031 273 VAL 36 C -0.0093 0.0074 0.0021 274 VAL 36 O -0.0097 0.0068 0.0012 275 VAL 36 CB -0.0065 0.0066 0.0028 276 VAL 36 CG1 -0.0062 0.0054 0.0017 277 VAL 36 CG2 -0.0069 0.0067 0.0027 278 ASN 37 N -0.0104 0.0083 0.0032 279 ASN 37 CA -0.0118 0.0089 0.0023 280 ASN 37 C -0.0120 0.0085 0.0011 281 ASN 37 O -0.0129 0.0091 0.0011 282 ASN 37 CB -0.0128 0.0101 0.0032 283 ASN 37 CG -0.0143 0.0108 0.0023 284 ASN 37 OD1 -0.0145 0.0103 0.0010 285 ASN 37 ND2 -0.0152 0.0118 0.0030 286 LEU 38 N -0.0107 0.0087 0.0011 287 LEU 38 CA -0.0109 0.0079 -0.0004 288 LEU 38 C -0.0129 0.0084 -0.0016 289 LEU 38 O -0.0138 0.0089 -0.0019 290 LEU 38 CB -0.0097 0.0062 -0.0016 291 LEU 38 CG -0.0076 0.0055 -0.0006 292 LEU 38 CD1 -0.0066 0.0038 -0.0020 293 LEU 38 CD2 -0.0071 0.0057 0.0002 294 PRO 39 N -0.0129 0.0098 -0.0019 295 PRO 39 CA -0.0147 0.0108 -0.0031 296 PRO 39 C -0.0152 0.0096 -0.0052 297 PRO 39 O -0.0142 0.0079 -0.0058 298 PRO 39 CB -0.0149 0.0114 -0.0026 299 PRO 39 CG -0.0132 0.0100 -0.0021 300 PRO 39 CD -0.0120 0.0095 -0.0010 301 GLY 40 N -0.0186 0.0101 -0.0066 302 GLY 40 CA -0.0194 0.0090 -0.0088 303 GLY 40 C -0.0192 0.0085 -0.0094 304 GLY 40 O -0.0186 0.0091 -0.0081 305 ARG 41 N -0.0199 0.0085 -0.0107 306 ARG 41 CA -0.0198 0.0077 -0.0118 307 ARG 41 C -0.0159 0.0066 -0.0111 308 ARG 41 O -0.0132 0.0057 -0.0108 309 ARG 41 CB -0.0214 0.0059 -0.0155 310 ARG 41 CG -0.0216 0.0051 -0.0169 311 ARG 41 CD -0.0241 0.0038 -0.0203 312 ARG 41 NE -0.0231 0.0021 -0.0224 313 ARG 41 CZ -0.0254 0.0021 -0.0238 314 ARG 41 NH1 -0.0289 0.0038 -0.0234 315 ARG 41 NH2 -0.0243 0.0004 -0.0257 316 TRP 42 N -0.0168 0.0065 -0.0117 317 TRP 42 CA -0.0149 0.0054 -0.0113 318 TRP 42 C -0.0149 0.0049 -0.0125 319 TRP 42 O -0.0165 0.0056 -0.0131 320 TRP 42 CB -0.0141 0.0060 -0.0090 321 TRP 42 CG -0.0154 0.0072 -0.0081 322 TRP 42 CD1 -0.0169 0.0085 -0.0071 323 TRP 42 CD2 -0.0154 0.0072 -0.0080 324 TRP 42 NE1 -0.0177 0.0093 -0.0065 325 TRP 42 CE2 -0.0169 0.0086 -0.0070 326 TRP 42 CE3 -0.0143 0.0062 -0.0087 327 TRP 42 CZ2 -0.0172 0.0090 -0.0066 328 TRP 42 CZ3 -0.0147 0.0066 -0.0084 329 TRP 42 CH2 -0.0161 0.0080 -0.0073 330 LYS 43 N -0.0134 0.0039 -0.0135 331 LYS 43 CA -0.0133 0.0034 -0.0146 332 LYS 43 C -0.0114 0.0029 -0.0130 333 LYS 43 O -0.0098 0.0024 -0.0116 334 LYS 43 CB -0.0129 0.0021 -0.0173 335 LYS 43 CG -0.0106 0.0006 -0.0176 336 LYS 43 CD -0.0108 -0.0004 -0.0203 337 LYS 43 CE -0.0088 -0.0021 -0.0215 338 LYS 43 NZ -0.0089 -0.0030 -0.0239 339 PRO 44 N -0.0127 0.0028 -0.0142 340 PRO 44 CA -0.0103 0.0028 -0.0119 341 PRO 44 C -0.0071 0.0013 -0.0134 342 PRO 44 O -0.0070 0.0002 -0.0163 343 PRO 44 CB -0.0116 0.0034 -0.0116 344 PRO 44 CG -0.0136 0.0030 -0.0145 345 PRO 44 CD -0.0152 0.0032 -0.0154 346 LYS 45 N -0.0032 0.0024 -0.0113 347 LYS 45 CA -0.0000 0.0012 -0.0123 348 LYS 45 C 0.0022 0.0005 -0.0096 349 LYS 45 O 0.0015 0.0008 -0.0067 350 LYS 45 CB 0.0003 0.0011 -0.0129 351 LYS 45 CG 0.0035 -0.0001 -0.0143 352 LYS 45 CD 0.0037 -0.0002 -0.0154 353 LYS 45 CE 0.0070 -0.0015 -0.0164 354 LYS 45 NZ 0.0081 -0.0020 -0.0194 355 LEU 46 N 0.0068 -0.0006 -0.0166 356 LEU 46 CA 0.0124 -0.0017 -0.0114 357 LEU 46 C 0.0181 -0.0032 -0.0118 358 LEU 46 O 0.0203 -0.0041 -0.0177 359 LEU 46 CB 0.0156 -0.0026 -0.0129 360 LEU 46 CG 0.0107 -0.0014 -0.0123 361 LEU 46 CD1 0.0140 -0.0024 -0.0154 362 LEU 46 CD2 0.0088 -0.0005 -0.0045 363 ILE 47 N 0.0171 -0.0002 -0.0057 364 ILE 47 CA 0.0215 -0.0002 -0.0066 365 ILE 47 C 0.0281 -0.0018 -0.0008 366 ILE 47 O 0.0283 -0.0030 0.0043 367 ILE 47 CB 0.0164 -0.0003 -0.0051 368 ILE 47 CG1 0.0125 -0.0018 0.0027 369 ILE 47 CG2 0.0106 0.0015 -0.0115 370 ILE 47 CD1 0.0091 -0.0023 0.0056 371 GLY 48 N 0.0420 -0.0048 -0.0018 372 GLY 48 CA 0.0575 -0.0104 0.0096 373 GLY 48 C 0.0702 -0.0123 0.0011 374 GLY 48 O 0.0762 -0.0113 -0.0148 375 GLY 49 N 0.0718 -0.0132 0.0094 376 GLY 49 CA 0.0819 -0.0164 -0.0001 377 GLY 49 C 0.0984 -0.0237 0.0105 378 GLY 49 O 0.1041 -0.0258 0.0089 379 ILE 50 N 0.1189 -0.0341 0.0262 380 ILE 50 CA 0.1355 -0.0408 0.0360 381 ILE 50 C 0.1276 -0.0283 0.0542 382 ILE 50 O 0.1252 -0.0190 0.0729 383 ILE 50 CB 0.1571 -0.0508 0.0461 384 ILE 50 CG1 0.1651 -0.0638 0.0268 385 ILE 50 CG2 0.1735 -0.0571 0.0565 386 ILE 50 CD1 0.1861 -0.0740 0.0352 387 GLY 51 N 0.1253 -0.0297 0.0507 388 GLY 51 CA 0.1184 -0.0229 0.0656 389 GLY 51 C 0.0968 -0.0112 0.0604 390 GLY 51 O 0.0881 -0.0041 0.0711 391 GLY 52 N 0.0841 -0.0079 0.0415 392 GLY 52 CA 0.0662 -0.0029 0.0376 393 GLY 52 C 0.0585 -0.0013 0.0318 394 GLY 52 O 0.0661 -0.0033 0.0346 395 PHE 53 N 0.0485 -0.0061 0.0233 396 PHE 53 CA 0.0415 -0.0044 0.0184 397 PHE 53 C 0.0310 -0.0002 0.0281 398 PHE 53 O 0.0274 0.0019 0.0371 399 PHE 53 CB 0.0354 -0.0040 0.0042 400 PHE 53 CG 0.0453 -0.0082 -0.0068 401 PHE 53 CD1 0.0482 -0.0100 -0.0151 402 PHE 53 CD2 0.0520 -0.0105 -0.0084 403 PHE 53 CE1 0.0575 -0.0140 -0.0252 404 PHE 53 CE2 0.0613 -0.0145 -0.0184 405 PHE 53 CZ 0.0640 -0.0162 -0.0268 406 VAL 54 N 0.0252 0.0004 0.0174 407 VAL 54 CA 0.0178 0.0000 0.0209 408 VAL 54 C 0.0103 -0.0014 0.0143 409 VAL 54 O 0.0118 -0.0022 0.0062 410 VAL 54 CB 0.0205 0.0005 0.0223 411 VAL 54 CG1 0.0124 -0.0002 0.0236 412 VAL 54 CG2 0.0266 0.0020 0.0303 413 LYS 55 N 0.0061 0.0009 0.0116 414 LYS 55 CA 0.0020 0.0017 0.0082 415 LYS 55 C -0.0005 0.0025 0.0092 416 LYS 55 O -0.0015 0.0032 0.0135 417 LYS 55 CB -0.0016 0.0027 0.0086 418 LYS 55 CG -0.0058 0.0036 0.0050 419 LYS 55 CD -0.0090 0.0045 0.0056 420 LYS 55 CE -0.0060 0.0037 0.0062 421 LYS 55 NZ -0.0091 0.0045 0.0058 422 VAL 56 N -0.0021 0.0011 0.0005 423 VAL 56 CA -0.0046 0.0015 0.0006 424 VAL 56 C -0.0075 0.0022 -0.0023 425 VAL 56 O -0.0074 0.0024 -0.0044 426 VAL 56 CB -0.0026 0.0012 -0.0001 427 VAL 56 CG1 0.0001 0.0004 0.0030 428 VAL 56 CG2 -0.0006 0.0013 -0.0039 429 ARG 57 N -0.0078 0.0035 -0.0033 430 ARG 57 CA -0.0090 0.0034 -0.0045 431 ARG 57 C -0.0081 0.0026 -0.0055 432 ARG 57 O -0.0072 0.0026 -0.0048 433 ARG 57 CB -0.0103 0.0043 -0.0036 434 ARG 57 CG -0.0112 0.0052 -0.0027 435 ARG 57 CD -0.0129 0.0060 -0.0023 436 ARG 57 NE -0.0126 0.0063 -0.0016 437 ARG 57 CZ -0.0118 0.0067 -0.0002 438 ARG 57 NH1 -0.0117 0.0069 0.0003 439 ARG 57 NH2 -0.0111 0.0069 0.0008 440 GLN 58 N -0.0079 0.0025 -0.0085 441 GLN 58 CA -0.0073 0.0018 -0.0094 442 GLN 58 C -0.0089 0.0028 -0.0098 443 GLN 58 O -0.0103 0.0035 -0.0110 444 GLN 58 CB -0.0067 0.0007 -0.0116 445 GLN 58 CG -0.0063 0.0000 -0.0129 446 GLN 58 CD -0.0055 -0.0011 -0.0150 447 GLN 58 OE1 -0.0049 -0.0017 -0.0152 448 GLN 58 NE2 -0.0056 -0.0015 -0.0164 449 TYR 59 N -0.0081 0.0024 -0.0075 450 TYR 59 CA -0.0089 0.0030 -0.0077 451 TYR 59 C -0.0082 0.0020 -0.0085 452 TYR 59 O -0.0070 0.0011 -0.0080 453 TYR 59 CB -0.0090 0.0038 -0.0060 454 TYR 59 CG -0.0100 0.0050 -0.0053 455 TYR 59 CD1 -0.0094 0.0050 -0.0043 456 TYR 59 CD2 -0.0114 0.0060 -0.0056 457 TYR 59 CE1 -0.0103 0.0060 -0.0036 458 TYR 59 CE2 -0.0122 0.0071 -0.0050 459 TYR 59 CZ -0.0117 0.0071 -0.0040 460 TYR 59 OH -0.0125 0.0081 -0.0033 461 ASP 60 N -0.0086 0.0020 -0.0087 462 ASP 60 CA -0.0080 0.0005 -0.0088 463 ASP 60 C -0.0076 0.0011 -0.0077 464 ASP 60 O -0.0080 0.0028 -0.0072 465 ASP 60 CB -0.0088 -0.0002 -0.0107 466 ASP 60 CG -0.0091 -0.0012 -0.0118 467 ASP 60 OD1 -0.0084 -0.0022 -0.0112 468 ASP 60 OD2 -0.0102 -0.0009 -0.0133 469 GLN 61 N -0.0054 -0.0017 -0.0048 470 GLN 61 CA -0.0042 -0.0014 -0.0032 471 GLN 61 C -0.0032 0.0004 -0.0020 472 GLN 61 O -0.0027 0.0018 -0.0015 473 GLN 61 CB -0.0046 -0.0010 -0.0038 474 GLN 61 CG -0.0054 -0.0031 -0.0045 475 GLN 61 CD -0.0062 -0.0027 -0.0058 476 GLN 61 OE1 -0.0063 -0.0008 -0.0061 477 GLN 61 NE2 -0.0069 -0.0044 -0.0065 478 VAL 62 N -0.0037 -0.0004 -0.0019 479 VAL 62 CA -0.0028 0.0010 -0.0013 480 VAL 62 C -0.0016 0.0005 0.0005 481 VAL 62 O -0.0017 -0.0011 0.0011 482 VAL 62 CB -0.0033 0.0014 -0.0021 483 VAL 62 CG1 -0.0023 0.0029 -0.0015 484 VAL 62 CG2 -0.0045 0.0019 -0.0039 485 PRO 63 N 0.0001 0.0005 0.0010 486 PRO 63 CA 0.0012 0.0001 0.0023 487 PRO 63 C 0.0016 0.0004 0.0027 488 PRO 63 O 0.0015 0.0018 0.0024 489 PRO 63 CB 0.0019 0.0013 0.0029 490 PRO 63 CG 0.0012 0.0026 0.0018 491 PRO 63 CD 0.0000 0.0018 0.0006 492 ILE 64 N 0.0023 -0.0012 0.0031 493 ILE 64 CA 0.0026 -0.0006 0.0030 494 ILE 64 C 0.0036 -0.0014 0.0039 495 ILE 64 O 0.0036 -0.0027 0.0045 496 ILE 64 CB 0.0013 -0.0007 0.0023 497 ILE 64 CG1 0.0016 -0.0002 0.0023 498 ILE 64 CG2 0.0004 -0.0022 0.0024 499 ILE 64 CD1 0.0004 0.0003 0.0014 500 GLU 65 N 0.0049 -0.0013 0.0036 501 GLU 65 CA 0.0059 -0.0019 0.0041 502 GLU 65 C 0.0056 -0.0014 0.0038 503 GLU 65 O 0.0054 -0.0002 0.0032 504 GLU 65 CB 0.0075 -0.0013 0.0042 505 GLU 65 CG 0.0088 -0.0020 0.0049 506 GLU 65 CD 0.0103 -0.0014 0.0050 507 GLU 65 OE1 0.0105 -0.0002 0.0045 508 GLU 65 OE2 0.0114 -0.0022 0.0057 509 ILE 66 N 0.0060 -0.0026 0.0044 510 ILE 66 CA 0.0056 -0.0023 0.0041 511 ILE 66 C 0.0069 -0.0028 0.0047 512 ILE 66 O 0.0071 -0.0041 0.0053 513 ILE 66 CB 0.0040 -0.0030 0.0041 514 ILE 66 CG1 0.0027 -0.0025 0.0036 515 ILE 66 CG2 0.0036 -0.0027 0.0039 516 ILE 66 CD1 0.0011 -0.0034 0.0036 517 CYS 67 N 0.0080 -0.0016 0.0040 518 CYS 67 CA 0.0097 -0.0020 0.0044 519 CYS 67 C 0.0110 -0.0032 0.0050 520 CYS 67 O 0.0118 -0.0045 0.0056 521 CYS 67 CB 0.0092 -0.0030 0.0047 522 CYS 67 SG 0.0090 -0.0015 0.0041 523 GLY 68 N 0.0106 -0.0029 0.0054 524 GLY 68 CA 0.0118 -0.0036 0.0061 525 GLY 68 C 0.0112 -0.0049 0.0070 526 GLY 68 O 0.0122 -0.0056 0.0077 527 HIS 69 N 0.0104 -0.0053 0.0067 528 HIS 69 CA 0.0091 -0.0075 0.0070 529 HIS 69 C 0.0071 -0.0072 0.0069 530 HIS 69 O 0.0054 -0.0059 0.0067 531 HIS 69 CB 0.0080 -0.0083 0.0070 532 HIS 69 CG 0.0097 -0.0094 0.0072 533 HIS 69 ND1 0.0117 -0.0084 0.0071 534 HIS 69 CD2 0.0097 -0.0116 0.0075 535 HIS 69 CE1 0.0129 -0.0098 0.0073 536 HIS 69 NE2 0.0117 -0.0117 0.0076 537 LYS 70 N 0.0080 -0.0061 0.0075 538 LYS 70 CA 0.0074 -0.0057 0.0070 539 LYS 70 C 0.0059 -0.0068 0.0072 540 LYS 70 O 0.0060 -0.0081 0.0080 541 LYS 70 CB 0.0087 -0.0056 0.0074 542 LYS 70 CG 0.0099 -0.0042 0.0069 543 LYS 70 CD 0.0111 -0.0040 0.0073 544 LYS 70 CE 0.0125 -0.0049 0.0083 545 LYS 70 NZ 0.0136 -0.0048 0.0086 546 VAL 71 N 0.0046 -0.0055 0.0074 547 VAL 71 CA 0.0032 -0.0066 0.0072 548 VAL 71 C 0.0022 -0.0058 0.0063 549 VAL 71 O 0.0027 -0.0043 0.0058 550 VAL 71 CB 0.0021 -0.0073 0.0070 551 VAL 71 CG1 0.0028 -0.0084 0.0080 552 VAL 71 CG2 0.0017 -0.0059 0.0061 553 ILE 72 N 0.0010 -0.0056 0.0051 554 ILE 72 CA -0.0000 -0.0049 0.0042 555 ILE 72 C -0.0013 -0.0055 0.0034 556 ILE 72 O -0.0016 -0.0069 0.0036 557 ILE 72 CB -0.0002 -0.0054 0.0042 558 ILE 72 CG1 0.0011 -0.0048 0.0050 559 ILE 72 CG2 -0.0014 -0.0049 0.0032 560 ILE 72 CD1 0.0014 -0.0030 0.0047 561 GLY 73 N -0.0017 -0.0041 0.0016 562 GLY 73 CA -0.0031 -0.0048 0.0007 563 GLY 73 C -0.0038 -0.0036 -0.0007 564 GLY 73 O -0.0033 -0.0021 -0.0010 565 THR 74 N -0.0038 -0.0023 -0.0025 566 THR 74 CA -0.0046 -0.0015 -0.0039 567 THR 74 C -0.0042 -0.0011 -0.0033 568 THR 74 O -0.0038 -0.0024 -0.0025 569 THR 74 CB -0.0055 -0.0028 -0.0054 570 THR 74 OG1 -0.0059 -0.0027 -0.0062 571 THR 74 CG2 -0.0062 -0.0022 -0.0067 572 VAL 75 N -0.0048 -0.0002 -0.0038 573 VAL 75 CA -0.0046 0.0002 -0.0032 574 VAL 75 C -0.0053 0.0009 -0.0041 575 VAL 75 O -0.0058 0.0017 -0.0047 576 VAL 75 CB -0.0040 0.0013 -0.0022 577 VAL 75 CG1 -0.0037 0.0017 -0.0017 578 VAL 75 CG2 -0.0034 0.0007 -0.0014 579 LEU 76 N -0.0047 0.0020 -0.0052 580 LEU 76 CA -0.0046 0.0019 -0.0047 581 LEU 76 C -0.0051 0.0021 -0.0027 582 LEU 76 O -0.0046 0.0017 -0.0016 583 LEU 76 CB -0.0028 0.0011 -0.0051 584 LEU 76 CG -0.0020 0.0008 -0.0069 585 LEU 76 CD1 -0.0003 -0.0000 -0.0071 586 LEU 76 CD2 -0.0030 0.0015 -0.0085 587 VAL 77 N -0.0057 0.0023 -0.0018 588 VAL 77 CA -0.0061 0.0027 -0.0005 589 VAL 77 C -0.0061 0.0029 0.0003 590 VAL 77 O -0.0067 0.0030 -0.0002 591 VAL 77 CB -0.0075 0.0033 -0.0004 592 VAL 77 CG1 -0.0078 0.0037 0.0010 593 VAL 77 CG2 -0.0075 0.0031 -0.0011 594 GLY 78 N -0.0057 0.0019 0.0017 595 GLY 78 CA -0.0047 0.0013 0.0034 596 GLY 78 C -0.0036 0.0013 0.0041 597 GLY 78 O -0.0037 0.0016 0.0033 598 PRO 79 N -0.0007 -0.0005 0.0068 599 PRO 79 CA 0.0001 -0.0014 0.0078 600 PRO 79 C 0.0010 0.0001 0.0066 601 PRO 79 O 0.0027 0.0015 0.0056 602 PRO 79 CB 0.0025 -0.0024 0.0093 603 PRO 79 CG 0.0018 -0.0031 0.0098 604 PRO 79 CD 0.0002 -0.0016 0.0081 605 THR 80 N -0.0019 0.0013 0.0034 606 THR 80 CA -0.0017 0.0022 0.0029 607 THR 80 C -0.0019 0.0021 0.0027 608 THR 80 O -0.0025 0.0014 0.0024 609 THR 80 CB -0.0019 0.0026 0.0021 610 THR 80 OG1 -0.0017 0.0034 0.0017 611 THR 80 CG2 -0.0027 0.0021 0.0015 612 PRO 81 N -0.0019 0.0034 0.0028 613 PRO 81 CA -0.0019 0.0035 0.0026 614 PRO 81 C -0.0024 0.0033 0.0016 615 PRO 81 O -0.0026 0.0031 0.0015 616 PRO 81 CB -0.0013 0.0044 0.0027 617 PRO 81 CG -0.0009 0.0045 0.0034 618 PRO 81 CD -0.0013 0.0041 0.0031 619 ALA 82 N -0.0029 0.0043 0.0007 620 ALA 82 CA -0.0030 0.0041 0.0002 621 ALA 82 C -0.0032 0.0038 -0.0002 622 ALA 82 O -0.0031 0.0039 -0.0002 623 ALA 82 CB -0.0026 0.0043 -0.0001 624 ASN 83 N -0.0031 0.0046 -0.0006 625 ASN 83 CA -0.0031 0.0039 -0.0005 626 ASN 83 C -0.0031 0.0034 -0.0005 627 ASN 83 O -0.0027 0.0035 -0.0005 628 ASN 83 CB -0.0026 0.0038 -0.0005 629 ASN 83 CG -0.0026 0.0042 -0.0005 630 ASN 83 OD1 -0.0031 0.0042 -0.0005 631 ASN 83 ND2 -0.0021 0.0044 -0.0006 632 VAL 84 N -0.0035 0.0033 -0.0021 633 VAL 84 CA -0.0038 0.0024 -0.0018 634 VAL 84 C -0.0037 0.0013 -0.0012 635 VAL 84 O -0.0042 0.0011 -0.0012 636 VAL 84 CB -0.0051 0.0024 -0.0020 637 VAL 84 CG1 -0.0055 0.0014 -0.0016 638 VAL 84 CG2 -0.0054 0.0034 -0.0026 639 ILE 85 N -0.0044 0.0003 -0.0003 640 ILE 85 CA -0.0042 -0.0009 0.0007 641 ILE 85 C -0.0055 -0.0018 0.0010 642 ILE 85 O -0.0058 -0.0021 0.0011 643 ILE 85 CB -0.0028 -0.0013 0.0014 644 ILE 85 CG1 -0.0014 -0.0003 0.0011 645 ILE 85 CG2 -0.0026 -0.0025 0.0024 646 ILE 85 CD1 -0.0013 0.0002 0.0008 647 GLY 86 N -0.0063 -0.0024 0.0005 648 GLY 86 CA -0.0078 -0.0034 0.0009 649 GLY 86 C -0.0076 -0.0046 0.0025 650 GLY 86 O -0.0063 -0.0046 0.0034 651 ARG 87 N -0.0097 -0.0057 0.0024 652 ARG 87 CA -0.0098 -0.0067 0.0042 653 ARG 87 C -0.0084 -0.0069 0.0053 654 ARG 87 O -0.0077 -0.0075 0.0067 655 ARG 87 CB -0.0117 -0.0073 0.0047 656 ARG 87 CG -0.0131 -0.0073 0.0041 657 ARG 87 CD -0.0150 -0.0080 0.0047 658 ARG 87 NE -0.0158 -0.0078 0.0041 659 ARG 87 CZ -0.0157 -0.0083 0.0049 660 ARG 87 NH1 -0.0165 -0.0081 0.0042 661 ARG 87 NH2 -0.0149 -0.0089 0.0065 662 ASN 88 N -0.0078 -0.0067 0.0021 663 ASN 88 CA -0.0068 -0.0067 0.0028 664 ASN 88 C -0.0049 -0.0063 0.0037 665 ASN 88 O -0.0042 -0.0070 0.0049 666 ASN 88 CB -0.0071 -0.0057 0.0015 667 ASN 88 CG -0.0060 -0.0042 0.0005 668 ASN 88 OD1 -0.0062 -0.0036 -0.0003 669 ASN 88 ND2 -0.0047 -0.0035 0.0006 670 LEU 89 N -0.0047 -0.0063 0.0031 671 LEU 89 CA -0.0033 -0.0059 0.0039 672 LEU 89 C -0.0031 -0.0067 0.0049 673 LEU 89 O -0.0021 -0.0069 0.0059 674 LEU 89 CB -0.0026 -0.0046 0.0032 675 LEU 89 CG -0.0025 -0.0037 0.0023 676 LEU 89 CD1 -0.0014 -0.0024 0.0019 677 LEU 89 CD2 -0.0022 -0.0040 0.0028 678 MET 90 N -0.0045 -0.0072 0.0056 679 MET 90 CA -0.0045 -0.0082 0.0068 680 MET 90 C -0.0046 -0.0095 0.0085 681 MET 90 O -0.0037 -0.0100 0.0098 682 MET 90 CB -0.0061 -0.0084 0.0061 683 MET 90 CG -0.0055 -0.0072 0.0049 684 MET 90 SD -0.0071 -0.0075 0.0042 685 MET 90 CE -0.0088 -0.0072 0.0026 686 THR 91 N -0.0052 -0.0107 0.0077 687 THR 91 CA -0.0051 -0.0117 0.0090 688 THR 91 C -0.0035 -0.0109 0.0100 689 THR 91 O -0.0030 -0.0116 0.0115 690 THR 91 CB -0.0064 -0.0124 0.0082 691 THR 91 OG1 -0.0061 -0.0110 0.0070 692 THR 91 CG2 -0.0080 -0.0133 0.0072 693 GLN 92 N -0.0030 -0.0101 0.0082 694 GLN 92 CA -0.0016 -0.0093 0.0089 695 GLN 92 C -0.0002 -0.0092 0.0102 696 GLN 92 O 0.0008 -0.0094 0.0112 697 GLN 92 CB -0.0014 -0.0076 0.0078 698 GLN 92 CG -0.0027 -0.0076 0.0066 699 GLN 92 CD -0.0030 -0.0088 0.0072 700 GLN 92 OE1 -0.0042 -0.0100 0.0070 701 GLN 92 NE2 -0.0020 -0.0085 0.0079 702 ILE 93 N 0.0003 -0.0092 0.0104 703 ILE 93 CA 0.0018 -0.0091 0.0115 704 ILE 93 C 0.0011 -0.0109 0.0131 705 ILE 93 O 0.0022 -0.0110 0.0142 706 ILE 93 CB 0.0022 -0.0077 0.0100 707 ILE 93 CG1 0.0002 -0.0082 0.0090 708 ILE 93 CG2 0.0031 -0.0060 0.0085 709 ILE 93 CD1 0.0006 -0.0070 0.0078 710 GLY 94 N -0.0017 -0.0104 0.0159 711 GLY 94 CA -0.0026 -0.0135 0.0181 712 GLY 94 C -0.0034 -0.0150 0.0182 713 GLY 94 O -0.0032 -0.0167 0.0208 714 CYS 95 N -0.0010 -0.0140 0.0166 715 CYS 95 CA -0.0025 -0.0139 0.0153 716 CYS 95 C -0.0060 -0.0158 0.0153 717 CYS 95 O -0.0079 -0.0160 0.0141 718 CYS 95 CB -0.0022 -0.0116 0.0121 719 CYS 95 SG -0.0040 -0.0113 0.0103 720 THR 96 N -0.0089 -0.0184 0.0203 721 THR 96 CA -0.0148 -0.0246 0.0195 722 THR 96 C -0.0151 -0.0237 0.0188 723 THR 96 O -0.0098 -0.0196 0.0203 724 THR 96 CB -0.0138 -0.0325 0.0248 725 THR 96 OG1 -0.0070 -0.0327 0.0299 726 THR 96 CG2 -0.0141 -0.0338 0.0252 727 LEU 97 N -0.0236 -0.0302 0.0188 728 LEU 97 CA -0.0245 -0.0256 0.0162 729 LEU 97 C -0.0215 -0.0355 0.0220 730 LEU 97 O -0.0269 -0.0453 0.0268 731 LEU 97 CB -0.0383 -0.0214 0.0120 732 LEU 97 CG -0.0419 -0.0101 0.0053 733 LEU 97 CD1 -0.0569 -0.0089 0.0027 734 LEU 97 CD2 -0.0349 0.0004 0.0003 735 ASN 98 N -0.0174 -0.0392 0.0308 736 ASN 98 CA -0.0133 -0.0512 0.0392 737 ASN 98 C -0.0135 -0.0513 0.0392 738 ASN 98 O -0.0086 -0.0409 0.0362 739 ASN 98 CB 0.0011 -0.0519 0.0469 740 ASN 98 CG 0.0018 -0.0533 0.0480 741 ASN 98 OD1 0.0003 -0.0646 0.0532 742 ASN 98 ND2 0.0039 -0.0418 0.0431 743 PHE 99 N -0.0175 -0.0708 0.0461 744 PHE 99 CA -0.0171 -0.0730 0.0475 745 PHE 99 C -0.0215 -0.0917 0.0558 746 PHE 99 O -0.0205 -0.0960 0.0586 747 PHE 99 CB -0.0291 -0.0631 0.0364 748 PHE 99 CG -0.0481 -0.0681 0.0301 749 PHE 99 CD1 -0.0541 -0.0618 0.0239 750 PHE 99 CD2 -0.0600 -0.0785 0.0302 751 PHE 99 CE1 -0.0716 -0.0663 0.0181 752 PHE 99 CE2 -0.0775 -0.0829 0.0244 753 PHE 99 CZ -0.0834 -0.0769 0.0183