NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18273 | 2dk7 | 11357 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 17.007 -2.056 -13.103 2 HA2 GLY 1 1HA GLY 1 17.423 0.182 -11.641 3 HA3 GLY 1 2HA GLY 1 17.177 0.825 -13.258 4 H SER 2 H SER 2 15.631 -1.864 -11.514 5 HA SER 2 HA SER 2 13.085 -0.412 -11.634 6 HB2 SER 2 1HB SER 2 11.909 -2.354 -12.495 7 HB3 SER 2 2HB SER 2 13.221 -1.940 -13.599 8 HG SER 2 HG SER 2 13.305 -4.130 -13.270 9 H SER 3 H SER 3 11.466 -1.217 -10.163 10 HA SER 3 HA SER 3 12.674 -2.260 -7.727 11 HB2 SER 3 1HB SER 3 11.188 -0.232 -7.705 12 HB3 SER 3 2HB SER 3 9.841 -1.283 -8.143 13 HG SER 3 HG SER 3 10.182 -0.837 -5.824 14 H GLY 4 H GLY 4 9.785 -2.946 -9.707 15 HA2 GLY 4 1HA GLY 4 9.562 -5.347 -10.374 16 HA3 GLY 4 2HA GLY 4 9.896 -5.719 -8.689 17 H SER 5 H SER 5 7.614 -6.609 -10.070 18 HA SER 5 HA SER 5 5.324 -5.069 -9.797 19 HB2 SER 5 1HB SER 5 5.635 -8.066 -9.501 20 HB3 SER 5 2HB SER 5 4.095 -7.232 -9.706 21 HG SER 5 HG SER 5 6.132 -6.748 -11.561 22 H SER 6 H SER 6 5.044 -3.917 -7.958 23 HA SER 6 HA SER 6 5.681 -4.499 -5.381 24 HB2 SER 6 1HB SER 6 3.145 -3.121 -6.295 25 HB3 SER 6 2HB SER 6 3.854 -3.002 -4.685 26 HG SER 6 HG SER 6 4.378 -1.482 -6.732 27 H GLY 7 H GLY 7 5.225 -6.118 -4.053 28 HA2 GLY 7 1HA GLY 7 4.073 -7.786 -2.970 29 HA3 GLY 7 2HA GLY 7 2.594 -7.060 -3.581 30 H LYS 8 H LYS 8 3.446 -9.897 -3.325 31 HA LYS 8 HA LYS 8 3.080 -10.667 -6.146 32 HB2 LYS 8 1HB LYS 8 4.247 -12.830 -5.461 33 HB3 LYS 8 2HB LYS 8 5.256 -11.397 -5.612 34 HG2 LYS 8 1HG LYS 8 4.123 -12.098 -2.947 35 HG3 LYS 8 2HG LYS 8 5.509 -12.999 -3.567 36 HD2 LYS 8 1HD LYS 8 5.508 -10.003 -3.567 37 HD3 LYS 8 2HD LYS 8 5.924 -10.903 -2.106 38 HE2 LYS 8 1HE LYS 8 7.998 -10.654 -3.047 39 HE3 LYS 8 2HE LYS 8 7.515 -12.199 -3.745 40 HZ1 LYS 8 1HZ LYS 8 8.384 -10.081 -5.156 41 HZ2 LYS 8 2HZ LYS 8 6.708 -9.896 -5.284 42 HZ3 LYS 8 3HZ LYS 8 7.441 -11.334 -5.791 43 H ALA 9 H ALA 9 0.784 -10.538 -5.681 44 HA ALA 9 HA ALA 9 -0.336 -13.059 -5.086 45 HB1 ALA 9 1HB ALA 9 -0.435 -10.995 -2.913 46 HB2 ALA 9 2HB ALA 9 -1.698 -12.216 -3.077 47 HB3 ALA 9 3HB ALA 9 -0.027 -12.708 -2.803 48 H LYS 10 H LYS 10 -2.426 -13.209 -5.801 49 HA LYS 10 HA LYS 10 -3.454 -10.874 -7.204 50 HB2 LYS 10 1HB LYS 10 -4.224 -13.791 -7.226 51 HB3 LYS 10 2HB LYS 10 -5.133 -12.559 -8.092 52 HG2 LYS 10 1HG LYS 10 -2.197 -13.034 -8.526 53 HG3 LYS 10 2HG LYS 10 -3.459 -13.853 -9.449 54 HD2 LYS 10 1HD LYS 10 -4.198 -11.854 -10.426 55 HD3 LYS 10 2HD LYS 10 -3.367 -10.860 -9.228 56 HE2 LYS 10 1HE LYS 10 -2.014 -10.652 -11.100 57 HE3 LYS 10 2HE LYS 10 -1.215 -11.926 -10.180 58 HZ1 LYS 10 1HZ LYS 10 -2.318 -13.567 -11.582 59 HZ2 LYS 10 2HZ LYS 10 -1.370 -12.514 -12.506 60 HZ3 LYS 10 3HZ LYS 10 -3.052 -12.334 -12.478 61 HA PRO 11 HA PRO 11 -6.494 -9.886 -4.177 62 HB2 PRO 11 1HB PRO 11 -8.276 -8.591 -5.764 63 HB3 PRO 11 2HB PRO 11 -6.728 -7.886 -5.283 64 HG2 PRO 11 1HG PRO 11 -7.478 -9.241 -7.845 65 HG3 PRO 11 2HG PRO 11 -6.528 -7.764 -7.597 66 HD2 PRO 11 1HD PRO 11 -5.384 -10.163 -8.113 67 HD3 PRO 11 2HD PRO 11 -4.607 -8.934 -7.093 68 H VAL 12 H VAL 12 -8.720 -10.283 -3.595 69 HA VAL 12 HA VAL 12 -9.842 -12.618 -4.998 70 HB VAL 12 HB VAL 12 -10.957 -13.192 -2.887 71 HG11 VAL 12 1HG1 VAL 12 -8.928 -13.822 -1.611 72 HG12 VAL 12 2HG1 VAL 12 -8.812 -14.198 -3.332 73 HG13 VAL 12 3HG1 VAL 12 -7.975 -12.790 -2.677 74 HG21 VAL 12 1HG2 VAL 12 -11.298 -11.143 -1.801 75 HG22 VAL 12 2HG2 VAL 12 -10.095 -11.972 -0.812 76 HG23 VAL 12 3HG2 VAL 12 -9.596 -10.695 -1.921 77 H ALA 13 H ALA 13 -10.571 -9.476 -3.613 78 HA ALA 13 HA ALA 13 -12.997 -9.354 -5.216 79 HB1 ALA 13 1HB ALA 13 -14.158 -8.357 -3.099 80 HB2 ALA 13 2HB ALA 13 -14.101 -10.104 -3.341 81 HB3 ALA 13 3HB ALA 13 -12.969 -9.330 -2.232 82 H THR 14 H THR 14 -13.655 -7.259 -5.714 83 HA THR 14 HA THR 14 -12.026 -5.056 -4.665 84 HB THR 14 HB THR 14 -12.604 -5.339 -7.614 85 HG1 THR 14 1HG THR 14 -11.125 -6.905 -7.313 86 HG21 THR 14 1HG2 THR 14 -12.140 -3.122 -7.369 87 HG22 THR 14 2HG2 THR 14 -10.483 -3.721 -7.454 88 HG23 THR 14 3HG2 THR 14 -11.214 -3.367 -5.889 89 H ALA 15 H ALA 15 -13.096 -3.156 -4.406 90 HA ALA 15 HA ALA 15 -15.708 -2.782 -5.645 91 HB1 ALA 15 1HB ALA 15 -15.293 -2.908 -2.665 92 HB2 ALA 15 2HB ALA 15 -16.715 -2.189 -3.424 93 HB3 ALA 15 3HB ALA 15 -16.365 -3.902 -3.652 94 HA PRO 16 HA PRO 16 -14.017 1.306 -5.898 95 HB2 PRO 16 1HB PRO 16 -16.235 2.517 -6.889 96 HB3 PRO 16 2HB PRO 16 -15.183 1.489 -7.869 97 HG2 PRO 16 1HG PRO 16 -17.783 0.822 -6.545 98 HG3 PRO 16 2HG PRO 16 -17.213 0.394 -8.168 99 HD2 PRO 16 1HD PRO 16 -17.137 -1.344 -6.093 100 HD3 PRO 16 2HD PRO 16 -15.928 -1.355 -7.393 101 H ILE 17 H ILE 17 -13.799 2.798 -4.358 102 HA ILE 17 HA ILE 17 -15.617 2.903 -2.141 103 HB ILE 17 HB ILE 17 -13.196 4.582 -2.798 104 HG12 ILE 17 1HG1 ILE 17 -13.680 2.129 -1.138 105 HG13 ILE 17 2HG1 ILE 17 -12.408 2.437 -2.315 106 HG21 ILE 17 1HG2 ILE 17 -14.656 4.456 -0.169 107 HG22 ILE 17 2HG2 ILE 17 -13.321 5.518 -0.616 108 HG23 ILE 17 3HG2 ILE 17 -14.904 5.730 -1.363 109 HD11 ILE 17 1HD1 ILE 17 -11.553 2.391 -0.034 110 HD12 ILE 17 2HD1 ILE 17 -11.338 3.977 -0.774 111 HD13 ILE 17 3HD1 ILE 17 -12.630 3.719 0.398 112 HA PRO 18 HA PRO 18 -18.295 6.042 -3.726 113 HB2 PRO 18 1HB PRO 18 -19.483 6.716 -1.379 114 HB3 PRO 18 2HB PRO 18 -19.856 5.225 -2.251 115 HG2 PRO 18 1HG PRO 18 -18.049 5.644 0.098 116 HG3 PRO 18 2HG PRO 18 -19.219 4.344 -0.195 117 HD2 PRO 18 1HD PRO 18 -16.561 4.030 -0.604 118 HD3 PRO 18 2HD PRO 18 -17.783 3.193 -1.583 119 H GLY 19 H GLY 19 -18.073 8.171 -4.105 120 HA2 GLY 19 1HA GLY 19 -17.590 10.409 -3.683 121 HA3 GLY 19 2HA GLY 19 -17.017 9.956 -2.084 122 H THR 20 H THR 20 -15.050 8.158 -2.610 123 HA THR 20 HA THR 20 -13.045 9.861 -3.900 124 HB THR 20 HB THR 20 -11.445 8.959 -2.530 125 HG1 THR 20 1HG THR 20 -12.988 6.612 -2.719 126 HG21 THR 20 1HG2 THR 20 -12.941 9.985 -1.000 127 HG22 THR 20 2HG2 THR 20 -12.469 8.450 -0.270 128 HG23 THR 20 3HG2 THR 20 -14.043 8.610 -1.047 129 HA PRO 21 HA PRO 21 -12.629 7.203 -7.381 130 HB2 PRO 21 1HB PRO 21 -10.055 7.740 -8.057 131 HB3 PRO 21 2HB PRO 21 -11.378 8.880 -8.330 132 HG2 PRO 21 1HG PRO 21 -9.365 8.811 -6.116 133 HG3 PRO 21 2HG PRO 21 -9.966 10.201 -7.039 134 HD2 PRO 21 1HD PRO 21 -10.870 9.598 -4.559 135 HD3 PRO 21 2HD PRO 21 -11.899 10.352 -5.793 136 H TRP 22 H TRP 22 -11.104 6.668 -4.461 137 HA TRP 22 HA TRP 22 -9.280 4.605 -5.202 138 HB2 TRP 22 1HB TRP 22 -10.524 5.408 -2.574 139 HB3 TRP 22 2HB TRP 22 -9.415 4.047 -2.716 140 HD1 TRP 22 HD TRP 22 -9.503 7.841 -2.668 141 HE1 TRP 22 1HE TRP 22 -7.092 8.737 -2.580 142 HE3 TRP 22 3HE TRP 22 -6.982 3.467 -3.471 143 HZ2 TRP 22 2HZ TRP 22 -4.468 7.724 -2.820 144 HZ3 TRP 22 3HZ TRP 22 -4.522 3.517 -3.528 145 HH2 TRP 22 HH TRP 22 -3.294 5.602 -3.210 146 H CYS 23 H CYS 23 -9.492 2.336 -4.651 147 HA CYS 23 HA CYS 23 -12.249 1.358 -4.476 148 HB2 CYS 23 1HB CYS 23 -10.260 0.203 -6.432 149 HB3 CYS 23 2HB CYS 23 -11.973 -0.175 -6.290 150 HG CYS 23 HG CYS 23 -12.840 2.302 -7.233 151 H VAL 24 H VAL 24 -12.339 0.113 -2.737 152 HA VAL 24 HA VAL 24 -10.082 -0.962 -1.430 153 HB VAL 24 HB VAL 24 -12.967 -1.804 -1.117 154 HG11 VAL 24 1HG1 VAL 24 -10.515 -2.671 0.128 155 HG12 VAL 24 2HG1 VAL 24 -11.619 -1.978 1.318 156 HG13 VAL 24 3HG1 VAL 24 -12.148 -3.314 0.295 157 HG21 VAL 24 1HG2 VAL 24 -11.585 0.123 0.695 158 HG22 VAL 24 2HG2 VAL 24 -12.264 0.698 -0.828 159 HG23 VAL 24 3HG2 VAL 24 -13.307 -0.075 0.367 160 H VAL 25 H VAL 25 -8.950 -2.742 -1.821 161 HA VAL 25 HA VAL 25 -10.219 -4.915 -3.354 162 HB VAL 25 HB VAL 25 -7.333 -4.056 -3.590 163 HG11 VAL 25 1HG1 VAL 25 -6.966 -5.996 -4.603 164 HG12 VAL 25 2HG1 VAL 25 -8.609 -6.494 -4.195 165 HG13 VAL 25 3HG1 VAL 25 -8.286 -5.691 -5.732 166 HG21 VAL 25 1HG2 VAL 25 -7.819 -2.871 -5.475 167 HG22 VAL 25 2HG2 VAL 25 -9.231 -3.853 -5.863 168 HG23 VAL 25 3HG2 VAL 25 -9.330 -2.627 -4.600 169 H TRP 26 H TRP 26 -10.229 -6.798 -2.328 170 HA TRP 26 HA TRP 26 -8.574 -7.128 0.052 171 HB2 TRP 26 1HB TRP 26 -10.927 -8.673 -1.039 172 HB3 TRP 26 2HB TRP 26 -10.002 -9.203 0.363 173 HD1 TRP 26 HD TRP 26 -10.499 -8.040 2.654 174 HE1 TRP 26 1HE TRP 26 -12.230 -6.300 3.429 175 HE3 TRP 26 3HE TRP 26 -12.231 -6.528 -1.912 176 HZ2 TRP 26 2HZ TRP 26 -14.085 -4.522 2.259 177 HZ3 TRP 26 3HZ TRP 26 -13.984 -4.804 -1.997 178 HH2 TRP 26 HH TRP 26 -14.891 -3.824 0.047 179 H THR 27 H THR 27 -7.659 -9.355 0.438 180 HA THR 27 HA THR 27 -6.673 -10.577 -2.048 181 HB THR 27 HB THR 27 -4.445 -10.887 -0.910 182 HG1 THR 27 1HG THR 27 -4.138 -10.051 1.020 183 HG21 THR 27 1HG2 THR 27 -3.606 -8.789 -1.599 184 HG22 THR 27 2HG2 THR 27 -5.133 -7.976 -1.250 185 HG23 THR 27 3HG2 THR 27 -5.016 -9.085 -2.616 186 H GLY 28 H GLY 28 -5.296 -12.647 -1.307 187 HA2 GLY 28 1HA GLY 28 -7.227 -14.336 0.025 188 HA3 GLY 28 2HA GLY 28 -5.728 -14.855 -0.731 189 H ASP 29 H ASP 29 -4.459 -12.582 0.970 190 HA ASP 29 HA ASP 29 -3.889 -14.321 3.238 191 HB2 ASP 29 1HB ASP 29 -2.164 -12.996 1.755 192 HB3 ASP 29 2HB ASP 29 -2.568 -11.665 2.836 193 H GLU 30 H GLU 30 -6.456 -13.230 3.275 194 HA GLU 30 HA GLU 30 -7.901 -11.913 4.474 195 HB2 GLU 30 1HB GLU 30 -5.849 -12.669 6.559 196 HB3 GLU 30 2HB GLU 30 -7.409 -11.951 6.934 197 HG2 GLU 30 1HG GLU 30 -8.489 -13.888 5.791 198 HG3 GLU 30 2HG GLU 30 -6.892 -14.622 5.653 199 H ARG 31 H ARG 31 -6.259 -10.292 3.005 200 HA ARG 31 HA ARG 31 -5.855 -8.023 4.835 201 HB2 ARG 31 1HB ARG 31 -3.998 -9.164 2.810 202 HB3 ARG 31 2HB ARG 31 -4.057 -7.413 2.957 203 HG2 ARG 31 1HG ARG 31 -3.726 -7.831 5.477 204 HG3 ARG 31 2HG ARG 31 -3.207 -9.443 4.980 205 HD2 ARG 31 1HD ARG 31 -1.686 -8.127 3.318 206 HD3 ARG 31 2HD ARG 31 -1.949 -6.789 4.436 207 HE ARG 31 HE ARG 31 -1.169 -9.063 5.888 208 HH11 ARG 31 2HH1 ARG 31 0.122 -6.740 3.639 209 HH12 ARG 31 1HH1 ARG 31 1.744 -6.873 4.232 210 HH21 ARG 31 2HH2 ARG 31 0.963 -9.247 6.677 211 HH22 ARG 31 1HH2 ARG 31 2.222 -8.300 5.959 212 H VAL 32 H VAL 32 -5.436 -5.979 3.244 213 HA VAL 32 HA VAL 32 -7.018 -5.935 0.870 214 HB VAL 32 HB VAL 32 -8.876 -5.985 2.424 215 HG11 VAL 32 1HG1 VAL 32 -8.361 -5.240 4.487 216 HG12 VAL 32 2HG1 VAL 32 -7.217 -4.039 3.883 217 HG13 VAL 32 3HG1 VAL 32 -8.948 -3.700 3.859 218 HG21 VAL 32 1HG2 VAL 32 -9.670 -4.693 0.760 219 HG22 VAL 32 2HG2 VAL 32 -9.590 -3.413 1.971 220 HG23 VAL 32 3HG2 VAL 32 -8.284 -3.604 0.802 221 H PHE 33 H PHE 33 -6.553 -4.179 -0.358 222 HA PHE 33 HA PHE 33 -5.059 -1.985 0.914 223 HB2 PHE 33 1HB PHE 33 -3.584 -1.882 -1.041 224 HB3 PHE 33 2HB PHE 33 -3.489 -3.460 -0.265 225 HD1 PHE 33 1HD PHE 33 -4.755 -5.383 -1.285 226 HD2 PHE 33 2HD PHE 33 -4.184 -1.673 -3.292 227 HE1 PHE 33 1HE PHE 33 -5.267 -6.470 -3.432 228 HE2 PHE 33 2HE PHE 33 -4.696 -2.754 -5.442 229 HZ PHE 33 HZ PHE 33 -5.239 -5.155 -5.514 230 H PHE 34 H PHE 34 -4.844 -0.100 -0.752 231 HA PHE 34 HA PHE 34 -7.519 0.331 -1.905 232 HB2 PHE 34 1HB PHE 34 -5.584 2.490 -1.068 233 HB3 PHE 34 2HB PHE 34 -7.299 2.657 -1.429 234 HD1 PHE 34 2HD PHE 34 -4.979 0.968 0.940 235 HD2 PHE 34 1HD PHE 34 -8.835 2.650 0.294 236 HE1 PHE 34 2HE PHE 34 -5.504 0.669 3.324 237 HE2 PHE 34 1HE PHE 34 -9.367 2.354 2.678 238 HZ PHE 34 HZ PHE 34 -7.701 1.361 4.197 239 H TYR 35 H TYR 35 -7.701 0.728 -4.020 240 HA TYR 35 HA TYR 35 -5.235 1.286 -5.536 241 HB2 TYR 35 1HB TYR 35 -5.908 -0.927 -6.097 242 HB3 TYR 35 2HB TYR 35 -7.596 -0.453 -6.246 243 HD1 TYR 35 1HD TYR 35 -4.353 0.719 -7.707 244 HD2 TYR 35 2HD TYR 35 -8.367 -0.503 -8.410 245 HE1 TYR 35 1HE TYR 35 -4.033 1.078 -10.119 246 HE2 TYR 35 2HE TYR 35 -8.058 -0.149 -10.825 247 HH TYR 35 HH TYR 35 -6.356 0.031 -12.456 248 H ASN 36 H ASN 36 -5.458 2.575 -7.445 249 HA ASN 36 HA ASN 36 -7.921 4.174 -7.578 250 HB2 ASN 36 1HB ASN 36 -6.120 5.385 -6.315 251 HB3 ASN 36 2HB ASN 36 -5.138 5.341 -7.776 252 HD21 ASN 36 1HD2 ASN 36 -6.693 7.429 -6.072 253 HD22 ASN 36 2HD2 ASN 36 -7.439 8.414 -7.279 254 HA PRO 37 HA PRO 37 -7.127 2.679 -11.790 255 HB2 PRO 37 1HB PRO 37 -9.708 2.947 -12.590 256 HB3 PRO 37 2HB PRO 37 -9.124 1.547 -11.681 257 HG2 PRO 37 1HG PRO 37 -10.591 3.965 -10.701 258 HG3 PRO 37 2HG PRO 37 -10.832 2.261 -10.274 259 HD2 PRO 37 1HD PRO 37 -9.469 3.981 -8.688 260 HD3 PRO 37 2HD PRO 37 -9.070 2.254 -8.788 261 H THR 38 H THR 38 -7.854 5.663 -10.492 262 HA THR 38 HA THR 38 -8.188 6.982 -13.085 263 HB THR 38 HB THR 38 -8.277 8.229 -10.332 264 HG1 THR 38 1HG THR 38 -10.502 7.603 -11.984 265 HG21 THR 38 1HG2 THR 38 -7.793 9.687 -12.359 266 HG22 THR 38 2HG2 THR 38 -9.187 10.145 -11.380 267 HG23 THR 38 3HG2 THR 38 -9.422 9.292 -12.906 268 H THR 39 H THR 39 -5.952 6.685 -10.401 269 HA THR 39 HA THR 39 -4.013 8.323 -11.903 270 HB THR 39 HB THR 39 -2.938 8.888 -9.771 271 HG1 THR 39 1HG THR 39 -4.249 8.370 -7.834 272 HG21 THR 39 1HG2 THR 39 -5.700 9.640 -9.118 273 HG22 THR 39 2HG2 THR 39 -5.222 9.981 -10.781 274 HG23 THR 39 3HG2 THR 39 -4.295 10.654 -9.441 275 H ARG 40 H ARG 40 -4.667 5.328 -11.757 276 HA ARG 40 HA ARG 40 -3.577 3.318 -11.540 277 HB2 ARG 40 1HB ARG 40 -1.392 5.037 -12.727 278 HB3 ARG 40 2HB ARG 40 -1.424 3.279 -12.749 279 HG2 ARG 40 1HG ARG 40 -3.473 3.340 -14.089 280 HG3 ARG 40 2HG ARG 40 -3.414 5.104 -14.082 281 HD2 ARG 40 1HD ARG 40 -1.515 5.166 -15.428 282 HD3 ARG 40 2HD ARG 40 -1.084 3.496 -15.061 283 HE ARG 40 HE ARG 40 -2.695 4.374 -17.199 284 HH11 ARG 40 2HH1 ARG 40 -2.514 1.858 -14.799 285 HH12 ARG 40 1HH1 ARG 40 -3.358 0.694 -15.767 286 HH21 ARG 40 2HH2 ARG 40 -3.807 2.851 -18.483 287 HH22 ARG 40 1HH2 ARG 40 -4.092 1.260 -17.862 288 H LEU 41 H LEU 41 -3.540 4.733 -9.113 289 HA LEU 41 HA LEU 41 -0.838 4.243 -8.068 290 HB2 LEU 41 1HB LEU 41 -2.206 6.465 -7.778 291 HB3 LEU 41 2HB LEU 41 -2.985 5.566 -6.477 292 HG LEU 41 HG LEU 41 -1.093 7.078 -5.792 293 HD11 LEU 41 1HD1 LEU 41 0.024 4.727 -4.752 294 HD12 LEU 41 2HD1 LEU 41 -1.688 4.387 -5.004 295 HD13 LEU 41 3HD1 LEU 41 -1.199 5.761 -4.013 296 HD21 LEU 41 1HD2 LEU 41 0.821 4.994 -6.681 297 HD22 LEU 41 2HD2 LEU 41 1.062 6.722 -6.426 298 HD23 LEU 41 3HD2 LEU 41 0.252 6.150 -7.885 299 H SER 42 H SER 42 -0.456 2.630 -6.679 300 HA SER 42 HA SER 42 -2.731 1.331 -5.352 301 HB2 SER 42 1HB SER 42 -1.894 -0.878 -5.912 302 HB3 SER 42 2HB SER 42 -2.132 0.041 -7.398 303 HG SER 42 HG SER 42 0.250 -0.735 -6.140 304 H MET 43 H MET 43 -2.348 1.642 -3.258 305 HA MET 43 HA MET 43 0.410 1.371 -2.271 306 HB2 MET 43 1HB MET 43 -1.891 2.629 -0.785 307 HB3 MET 43 2HB MET 43 -0.173 2.773 -0.440 308 HG2 MET 43 1HG MET 43 -0.154 3.806 -2.879 309 HG3 MET 43 2HG MET 43 -1.829 4.162 -2.463 310 HE1 MET 43 1HE MET 43 -2.064 4.673 0.314 311 HE2 MET 43 2HE MET 43 -0.478 4.335 1.008 312 HE3 MET 43 3HE MET 43 -1.124 5.976 1.043 313 H TRP 44 H TRP 44 0.373 0.670 0.170 314 HA TRP 44 HA TRP 44 -1.202 -1.811 0.282 315 HB2 TRP 44 1HB TRP 44 1.531 -1.066 1.188 316 HB3 TRP 44 2HB TRP 44 0.643 -2.221 2.177 317 HD1 TRP 44 HD TRP 44 2.871 -2.087 -0.738 318 HE1 TRP 44 1HE TRP 44 2.860 -4.327 -2.005 319 HE3 TRP 44 3HE TRP 44 -1.236 -4.227 1.429 320 HZ2 TRP 44 2HZ TRP 44 1.316 -6.689 -2.077 321 HZ3 TRP 44 3HZ TRP 44 -1.913 -6.479 0.704 322 HH2 TRP 44 HH TRP 44 -0.663 -7.682 -1.013 323 H ASP 45 H ASP 45 -0.854 1.250 1.694 324 HA ASP 45 HA ASP 45 -2.469 0.397 4.007 325 HB2 ASP 45 1HB ASP 45 -0.201 2.355 3.843 326 HB3 ASP 45 2HB ASP 45 -1.447 2.550 5.072 327 H ARG 46 H ARG 46 -3.695 2.342 4.961 328 HA ARG 46 HA ARG 46 -5.336 3.410 2.865 329 HB2 ARG 46 1HB ARG 46 -6.152 2.641 5.137 330 HB3 ARG 46 2HB ARG 46 -5.447 4.110 5.798 331 HG2 ARG 46 1HG ARG 46 -7.320 4.384 3.516 332 HG3 ARG 46 2HG ARG 46 -7.988 3.962 5.093 333 HD2 ARG 46 1HD ARG 46 -6.072 6.245 4.788 334 HD3 ARG 46 2HD ARG 46 -7.789 6.454 4.449 335 HE ARG 46 HE ARG 46 -6.551 6.105 7.035 336 HH11 ARG 46 2HH1 ARG 46 -9.495 5.953 5.183 337 HH12 ARG 46 1HH1 ARG 46 -10.527 6.135 6.564 338 HH21 ARG 46 2HH2 ARG 46 -7.898 6.345 8.860 339 HH22 ARG 46 1HH2 ARG 46 -9.617 6.358 8.654 340 HA PRO 47 HA PRO 47 -2.742 7.045 2.445 341 HB2 PRO 47 1HB PRO 47 -4.087 8.051 0.313 342 HB3 PRO 47 2HB PRO 47 -2.911 6.739 0.175 343 HG2 PRO 47 1HG PRO 47 -5.899 6.600 0.284 344 HG3 PRO 47 2HG PRO 47 -4.775 5.712 -0.761 345 HD2 PRO 47 1HD PRO 47 -5.886 4.612 1.450 346 HD3 PRO 47 2HD PRO 47 -4.261 4.179 0.881 347 H ASP 48 H ASP 48 -3.089 9.354 2.553 348 HA ASP 48 HA ASP 48 -4.955 10.130 4.487 349 HB2 ASP 48 1HB ASP 48 -4.358 12.507 3.465 350 HB3 ASP 48 2HB ASP 48 -3.190 11.595 4.418 351 H ASP 49 H ASP 49 -4.991 10.545 0.965 352 HA ASP 49 HA ASP 49 -7.139 12.116 0.526 353 HB2 ASP 49 1HB ASP 49 -6.222 9.629 -0.879 354 HB3 ASP 49 2HB ASP 49 -7.675 10.463 -1.422 355 H LEU 50 H LEU 50 -7.186 8.971 1.967 356 HA LEU 50 HA LEU 50 -10.120 8.903 1.865 357 HB2 LEU 50 1HB LEU 50 -8.059 6.797 2.455 358 HB3 LEU 50 2HB LEU 50 -9.776 6.558 2.771 359 HG LEU 50 HG LEU 50 -8.493 7.020 0.079 360 HD11 LEU 50 1HD1 LEU 50 -10.031 4.594 0.892 361 HD12 LEU 50 2HD1 LEU 50 -8.331 4.748 1.333 362 HD13 LEU 50 3HD1 LEU 50 -8.807 4.781 -0.364 363 HD21 LEU 50 1HD2 LEU 50 -11.124 6.139 -0.224 364 HD22 LEU 50 2HD2 LEU 50 -10.484 7.740 -0.594 365 HD23 LEU 50 3HD2 LEU 50 -11.198 7.418 0.987 366 H ILE 51 H ILE 51 -7.384 9.080 4.032 367 HA ILE 51 HA ILE 51 -8.477 8.488 6.474 368 HB ILE 51 HB ILE 51 -6.530 10.686 5.783 369 HG12 ILE 51 1HG1 ILE 51 -6.097 7.951 7.003 370 HG13 ILE 51 2HG1 ILE 51 -5.843 8.340 5.305 371 HG21 ILE 51 1HG2 ILE 51 -6.205 9.858 8.460 372 HG22 ILE 51 2HG2 ILE 51 -6.690 11.443 7.861 373 HG23 ILE 51 3HG2 ILE 51 -7.914 10.230 8.235 374 HD11 ILE 51 1HD1 ILE 51 -3.803 9.070 5.732 375 HD12 ILE 51 2HD1 ILE 51 -4.406 10.183 6.960 376 HD13 ILE 51 3HD1 ILE 51 -4.004 8.522 7.396 377 H GLY 52 H GLY 52 -10.266 9.168 7.440 378 HA2 GLY 52 1HA GLY 52 -11.247 11.155 8.568 379 HA3 GLY 52 2HA GLY 52 -11.092 11.975 7.022 380 H ARG 53 H ARG 53 -11.953 9.712 5.439 381 HA ARG 53 HA ARG 53 -14.788 10.128 5.663 382 HB2 ARG 53 1HB ARG 53 -13.209 8.348 3.797 383 HB3 ARG 53 2HB ARG 53 -14.922 8.716 3.646 384 HG2 ARG 53 1HG ARG 53 -14.235 11.153 3.488 385 HG3 ARG 53 2HG ARG 53 -12.585 10.562 3.284 386 HD2 ARG 53 1HD ARG 53 -13.015 9.665 1.221 387 HD3 ARG 53 2HD ARG 53 -14.722 9.400 1.574 388 HE ARG 53 HE ARG 53 -13.545 11.735 0.409 389 HH11 ARG 53 2HH1 ARG 53 -16.201 10.557 2.328 390 HH12 ARG 53 1HH1 ARG 53 -17.261 11.857 1.895 391 HH21 ARG 53 2HH2 ARG 53 -14.931 13.452 -0.169 392 HH22 ARG 53 1HH2 ARG 53 -16.538 13.503 0.474 393 H ALA 54 H ALA 54 -16.368 8.624 6.149 394 HA ALA 54 HA ALA 54 -15.506 6.452 7.871 395 HB1 ALA 54 1HB ALA 54 -18.337 7.233 7.212 396 HB2 ALA 54 2HB ALA 54 -17.757 6.322 8.606 397 HB3 ALA 54 3HB ALA 54 -17.375 8.037 8.453 398 H ASP 55 H ASP 55 -17.166 6.900 4.796 399 HA ASP 55 HA ASP 55 -18.142 4.379 4.308 400 HB2 ASP 55 1HB ASP 55 -16.757 6.118 2.258 401 HB3 ASP 55 2HB ASP 55 -17.970 4.880 1.944 402 H VAL 56 H VAL 56 -14.900 5.557 3.393 403 HA VAL 56 HA VAL 56 -13.805 3.329 2.298 404 HB VAL 56 HB VAL 56 -12.487 5.310 2.422 405 HG11 VAL 56 1HG1 VAL 56 -13.498 5.762 4.834 406 HG12 VAL 56 2HG1 VAL 56 -11.947 5.082 5.331 407 HG13 VAL 56 3HG1 VAL 56 -11.994 6.509 4.294 408 HG21 VAL 56 1HG2 VAL 56 -10.353 4.446 3.394 409 HG22 VAL 56 2HG2 VAL 56 -11.263 3.081 4.042 410 HG23 VAL 56 3HG2 VAL 56 -11.159 3.323 2.298 411 H ASP 57 H ASP 57 -14.108 3.999 5.767 412 HA ASP 57 HA ASP 57 -12.801 1.637 6.629 413 HB2 ASP 57 1HB ASP 57 -13.469 3.857 7.912 414 HB3 ASP 57 2HB ASP 57 -14.904 2.919 8.316 415 H LYS 58 H LYS 58 -16.270 2.475 6.683 416 HA LYS 58 HA LYS 58 -17.410 0.183 7.501 417 HB2 LYS 58 1HB LYS 58 -18.628 2.221 6.734 418 HB3 LYS 58 2HB LYS 58 -18.365 1.709 5.073 419 HG2 LYS 58 1HG LYS 58 -19.628 -0.361 5.552 420 HG3 LYS 58 2HG LYS 58 -19.962 0.257 7.172 421 HD2 LYS 58 1HD LYS 58 -21.071 2.217 6.157 422 HD3 LYS 58 2HD LYS 58 -20.795 1.520 4.560 423 HE2 LYS 58 1HE LYS 58 -22.929 0.795 4.955 424 HE3 LYS 58 2HE LYS 58 -22.012 -0.557 5.620 425 HZ1 LYS 58 1HZ LYS 58 -22.917 -0.193 7.592 426 HZ2 LYS 58 2HZ LYS 58 -23.877 1.031 6.926 427 HZ3 LYS 58 3HZ LYS 58 -22.375 1.410 7.607 428 H ILE 59 H ILE 59 -16.508 0.783 4.104 429 HA ILE 59 HA ILE 59 -17.209 -1.641 3.011 430 HB ILE 59 HB ILE 59 -14.766 -0.004 2.319 431 HG12 ILE 59 1HG1 ILE 59 -17.563 0.044 1.164 432 HG13 ILE 59 2HG1 ILE 59 -16.879 1.268 2.227 433 HG21 ILE 59 1HG2 ILE 59 -14.282 -1.720 0.977 434 HG22 ILE 59 2HG2 ILE 59 -15.854 -2.474 1.236 435 HG23 ILE 59 3HG2 ILE 59 -15.672 -1.211 0.018 436 HD11 ILE 59 1HD1 ILE 59 -16.652 0.978 -0.623 437 HD12 ILE 59 2HD1 ILE 59 -16.218 2.340 0.410 438 HD13 ILE 59 3HD1 ILE 59 -15.061 1.038 0.135 439 H ILE 60 H ILE 60 -14.018 -0.794 4.361 440 HA ILE 60 HA ILE 60 -12.884 -3.347 4.080 441 HB ILE 60 HB ILE 60 -12.213 -1.172 6.065 442 HG12 ILE 60 1HG1 ILE 60 -10.592 -1.849 3.642 443 HG13 ILE 60 2HG1 ILE 60 -12.044 -0.873 3.452 444 HG21 ILE 60 1HG2 ILE 60 -10.489 -3.492 5.219 445 HG22 ILE 60 2HG2 ILE 60 -10.138 -2.285 6.454 446 HG23 ILE 60 3HG2 ILE 60 -11.429 -3.458 6.710 447 HD11 ILE 60 1HD1 ILE 60 -9.449 -0.199 4.667 448 HD12 ILE 60 2HD1 ILE 60 -10.585 0.808 3.769 449 HD13 ILE 60 3HD1 ILE 60 -10.881 0.446 5.469 450 H GLN 61 H GLN 61 -14.868 -1.931 6.597 451 HA GLN 61 HA GLN 61 -14.411 -3.880 8.587 452 HB2 GLN 61 1HB GLN 61 -16.816 -2.108 8.126 453 HB3 GLN 61 2HB GLN 61 -16.516 -3.037 9.588 454 HG2 GLN 61 1HG GLN 61 -14.248 -1.713 9.574 455 HG3 GLN 61 2HG GLN 61 -15.175 -0.581 8.590 456 HE21 GLN 61 1HE2 GLN 61 -14.933 -2.136 11.708 457 HE22 GLN 61 2HE2 GLN 61 -15.927 -1.012 12.564 458 H GLU 62 H GLU 62 -17.017 -3.537 6.187 459 HA GLU 62 HA GLU 62 -17.625 -6.394 6.588 460 HB2 GLU 62 1HB GLU 62 -19.500 -5.156 7.381 461 HB3 GLU 62 2HB GLU 62 -19.473 -4.089 5.983 462 HG2 GLU 62 1HG GLU 62 -20.484 -5.615 4.619 463 HG3 GLU 62 2HG GLU 62 -19.884 -6.997 5.534 464 HA PRO 63 HA PRO 63 -16.125 -6.016 2.271 465 HB2 PRO 63 1HB PRO 63 -15.049 -8.508 2.211 466 HB3 PRO 63 2HB PRO 63 -14.193 -7.107 2.866 467 HG2 PRO 63 1HG PRO 63 -15.695 -9.255 4.312 468 HG3 PRO 63 2HG PRO 63 -14.132 -8.519 4.712 469 HD2 PRO 63 1HD PRO 63 -16.436 -7.807 5.944 470 HD3 PRO 63 2HD PRO 63 -15.109 -6.662 5.665 471 HA PRO 64 HA PRO 64 -19.579 -8.090 0.467 472 HB2 PRO 64 1HB PRO 64 -18.708 -8.201 -2.102 473 HB3 PRO 64 2HB PRO 64 -19.271 -6.708 -1.343 474 HG2 PRO 64 1HG PRO 64 -16.471 -7.677 -1.772 475 HG3 PRO 64 2HG PRO 64 -17.139 -6.050 -2.000 476 HD2 PRO 64 1HD PRO 64 -15.717 -6.745 0.196 477 HD3 PRO 64 2HD PRO 64 -17.032 -5.553 0.248 478 H HIS 65 H HIS 65 -16.410 -9.261 -0.690 479 HA HIS 65 HA HIS 65 -17.056 -11.722 -1.637 480 HB2 HIS 65 1HB HIS 65 -14.823 -12.362 -1.320 481 HB3 HIS 65 2HB HIS 65 -14.742 -10.604 -1.405 482 HD1 HIS 65 1HD HIS 65 -14.109 -9.340 0.751 483 HD2 HIS 65 2HD HIS 65 -14.207 -13.472 1.179 484 HE1 HIS 65 1HE HIS 65 -12.992 -9.815 2.954 485 H LYS 66 H LYS 66 -16.922 -10.735 1.718 486 HA LYS 66 HA LYS 66 -17.128 -13.370 2.804 487 HB2 LYS 66 1HB LYS 66 -17.262 -10.593 3.866 488 HB3 LYS 66 2HB LYS 66 -17.987 -11.866 4.838 489 HG2 LYS 66 1HG LYS 66 -15.229 -12.261 3.796 490 HG3 LYS 66 2HG LYS 66 -15.480 -11.168 5.159 491 HD2 LYS 66 1HD LYS 66 -16.573 -12.951 6.407 492 HD3 LYS 66 2HD LYS 66 -16.389 -14.045 5.034 493 HE2 LYS 66 1HE LYS 66 -14.612 -14.625 6.414 494 HE3 LYS 66 2HE LYS 66 -13.871 -13.530 5.248 495 HZ1 LYS 66 1HZ LYS 66 -14.794 -11.952 7.323 496 HZ2 LYS 66 2HZ LYS 66 -13.185 -12.324 6.956 497 HZ3 LYS 66 3HZ LYS 66 -14.043 -13.278 8.059 498 H LYS 67 H LYS 67 -19.468 -10.715 3.178 499 HA LYS 67 HA LYS 67 -21.654 -12.318 3.778 500 HB2 LYS 67 1HB LYS 67 -23.003 -10.398 3.477 501 HB3 LYS 67 2HB LYS 67 -21.442 -9.797 4.022 502 HG2 LYS 67 1HG LYS 67 -20.854 -9.133 1.793 503 HG3 LYS 67 2HG LYS 67 -22.311 -9.887 1.141 504 HD2 LYS 67 1HD LYS 67 -23.712 -8.297 2.250 505 HD3 LYS 67 2HD LYS 67 -22.344 -7.640 3.152 506 HE2 LYS 67 1HE LYS 67 -21.500 -6.528 1.319 507 HE3 LYS 67 2HE LYS 67 -22.270 -7.621 0.169 508 HZ1 LYS 67 1HZ LYS 67 -24.213 -6.483 0.243 509 HZ2 LYS 67 2HZ LYS 67 -23.174 -5.200 0.610 510 HZ3 LYS 67 3HZ LYS 67 -24.014 -5.988 1.849 511 H SER 68 H SER 68 -23.741 -12.153 2.296 512 HA SER 68 HA SER 68 -24.838 -12.843 0.421 513 HB2 SER 68 1HB SER 68 -23.355 -11.103 -0.688 514 HB3 SER 68 2HB SER 68 -22.268 -12.425 -1.112 515 HG SER 68 HG SER 68 -23.646 -13.105 -2.573 516 H GLY 69 H GLY 69 -23.808 -14.755 2.106 517 HA2 GLY 69 1HA GLY 69 -23.911 -17.111 1.870 518 HA3 GLY 69 2HA GLY 69 -23.354 -16.944 0.212 519 HA PRO 70 HA PRO 70 -19.538 -16.588 3.216 520 HB2 PRO 70 1HB PRO 70 -19.912 -17.773 5.629 521 HB3 PRO 70 2HB PRO 70 -20.232 -16.059 5.341 522 HG2 PRO 70 1HG PRO 70 -22.150 -18.355 5.428 523 HG3 PRO 70 2HG PRO 70 -22.314 -16.733 6.126 524 HD2 PRO 70 1HD PRO 70 -23.503 -17.444 3.800 525 HD3 PRO 70 2HD PRO 70 -22.934 -15.793 4.115 526 H SER 71 H SER 71 -17.943 -18.096 3.080 527 HA SER 71 HA SER 71 -18.676 -20.727 2.164 528 HB2 SER 71 1HB SER 71 -16.830 -19.617 1.066 529 HB3 SER 71 2HB SER 71 -15.982 -19.418 2.600 530 HG SER 71 HG SER 71 -16.704 -21.998 1.790 531 H SER 72 H SER 72 -16.427 -19.631 4.709 532 HA SER 72 HA SER 72 -16.212 -22.109 5.987 533 HB2 SER 72 1HB SER 72 -14.748 -20.023 6.282 534 HB3 SER 72 2HB SER 72 -15.971 -19.469 7.425 535 HG SER 72 HG SER 72 -15.583 -21.748 8.326 536 H GLY 73 H GLY 73 -18.204 -19.288 6.882 537 HA2 GLY 73 1HA GLY 73 -19.516 -20.549 9.039 538 HA3 GLY 73 2HA GLY 73 -20.084 -19.119 8.190 Start of MODEL 2 1 H1 GLY 1 H GLY 1 11.038 4.772 -15.345 2 HA2 GLY 1 1HA GLY 1 8.748 4.665 -15.232 3 HA3 GLY 1 2HA GLY 1 8.860 3.334 -16.374 4 H SER 2 H SER 2 8.248 1.383 -15.702 5 HA SER 2 HA SER 2 8.441 0.675 -12.884 6 HB2 SER 2 1HB SER 2 5.859 1.009 -14.376 7 HB3 SER 2 2HB SER 2 5.986 -0.205 -13.102 8 HG SER 2 HG SER 2 5.492 1.462 -11.895 9 H SER 3 H SER 3 7.657 -1.658 -12.573 10 HA SER 3 HA SER 3 7.873 -3.334 -14.929 11 HB2 SER 3 1HB SER 3 10.046 -3.070 -12.904 12 HB3 SER 3 2HB SER 3 9.696 -4.683 -13.527 13 HG SER 3 HG SER 3 9.922 -2.618 -15.382 14 H GLY 4 H GLY 4 7.550 -5.655 -14.391 15 HA2 GLY 4 1HA GLY 4 6.665 -7.375 -13.079 16 HA3 GLY 4 2HA GLY 4 6.403 -6.220 -11.781 17 H SER 5 H SER 5 4.645 -4.585 -12.201 18 HA SER 5 HA SER 5 2.338 -4.447 -12.241 19 HB2 SER 5 1HB SER 5 3.216 -3.445 -14.381 20 HB3 SER 5 2HB SER 5 2.843 -4.974 -15.176 21 HG SER 5 HG SER 5 1.108 -3.040 -14.121 22 H SER 6 H SER 6 3.003 -7.008 -11.451 23 HA SER 6 HA SER 6 0.966 -8.628 -12.836 24 HB2 SER 6 1HB SER 6 3.697 -9.343 -11.867 25 HB3 SER 6 2HB SER 6 2.431 -10.566 -11.754 26 HG SER 6 HG SER 6 2.632 -10.863 -13.813 27 H GLY 7 H GLY 7 2.738 -8.480 -9.736 28 HA2 GLY 7 1HA GLY 7 1.884 -8.375 -7.582 29 HA3 GLY 7 2HA GLY 7 0.262 -8.353 -8.259 30 H LYS 8 H LYS 8 2.845 -10.331 -7.052 31 HA LYS 8 HA LYS 8 2.063 -12.875 -7.742 32 HB2 LYS 8 1HB LYS 8 4.097 -12.574 -6.538 33 HB3 LYS 8 2HB LYS 8 3.263 -11.832 -5.179 34 HG2 LYS 8 1HG LYS 8 2.067 -14.107 -4.963 35 HG3 LYS 8 2HG LYS 8 3.382 -14.712 -5.973 36 HD2 LYS 8 1HD LYS 8 5.014 -13.893 -4.355 37 HD3 LYS 8 2HD LYS 8 3.711 -13.248 -3.354 38 HE2 LYS 8 1HE LYS 8 3.992 -16.158 -4.083 39 HE3 LYS 8 2HE LYS 8 4.628 -15.452 -2.598 40 HZ1 LYS 8 1HZ LYS 8 1.893 -16.082 -3.325 41 HZ2 LYS 8 2HZ LYS 8 2.102 -14.609 -2.520 42 HZ3 LYS 8 3HZ LYS 8 2.629 -16.047 -1.802 43 H ALA 9 H ALA 9 1.057 -11.123 -4.800 44 HA ALA 9 HA ALA 9 -0.946 -13.077 -4.167 45 HB1 ALA 9 1HB ALA 9 -1.490 -10.764 -2.701 46 HB2 ALA 9 2HB ALA 9 -0.585 -12.181 -2.167 47 HB3 ALA 9 3HB ALA 9 0.265 -10.807 -2.875 48 H LYS 10 H LYS 10 -2.221 -13.090 -6.082 49 HA LYS 10 HA LYS 10 -3.468 -10.852 -7.209 50 HB2 LYS 10 1HB LYS 10 -4.150 -13.782 -7.184 51 HB3 LYS 10 2HB LYS 10 -5.187 -12.613 -7.992 52 HG2 LYS 10 1HG LYS 10 -2.289 -12.589 -8.637 53 HG3 LYS 10 2HG LYS 10 -3.280 -13.903 -9.274 54 HD2 LYS 10 1HD LYS 10 -4.874 -11.909 -9.946 55 HD3 LYS 10 2HD LYS 10 -3.371 -10.986 -9.867 56 HE2 LYS 10 1HE LYS 10 -3.397 -11.655 -12.074 57 HE3 LYS 10 2HE LYS 10 -2.424 -12.922 -11.327 58 HZ1 LYS 10 1HZ LYS 10 -5.317 -13.098 -11.977 59 HZ2 LYS 10 2HZ LYS 10 -4.415 -14.308 -11.214 60 HZ3 LYS 10 3HZ LYS 10 -4.061 -13.868 -12.808 61 HA PRO 11 HA PRO 11 -6.527 -9.760 -4.232 62 HB2 PRO 11 1HB PRO 11 -8.229 -8.415 -5.865 63 HB3 PRO 11 2HB PRO 11 -6.674 -7.756 -5.346 64 HG2 PRO 11 1HG PRO 11 -7.399 -9.091 -7.925 65 HG3 PRO 11 2HG PRO 11 -6.412 -7.644 -7.654 66 HD2 PRO 11 1HD PRO 11 -5.327 -10.077 -8.138 67 HD3 PRO 11 2HD PRO 11 -4.540 -8.870 -7.101 68 H VAL 12 H VAL 12 -8.512 -10.437 -3.487 69 HA VAL 12 HA VAL 12 -9.742 -12.631 -4.978 70 HB VAL 12 HB VAL 12 -10.809 -13.278 -2.930 71 HG11 VAL 12 1HG1 VAL 12 -7.916 -12.522 -2.617 72 HG12 VAL 12 2HG1 VAL 12 -8.788 -13.461 -1.403 73 HG13 VAL 12 3HG1 VAL 12 -8.600 -14.092 -3.039 74 HG21 VAL 12 1HG2 VAL 12 -11.545 -11.535 -1.703 75 HG22 VAL 12 2HG2 VAL 12 -9.999 -11.726 -0.875 76 HG23 VAL 12 3HG2 VAL 12 -10.177 -10.511 -2.141 77 H ALA 13 H ALA 13 -10.362 -9.387 -3.932 78 HA ALA 13 HA ALA 13 -12.747 -9.264 -5.532 79 HB1 ALA 13 1HB ALA 13 -12.912 -9.249 -2.546 80 HB2 ALA 13 2HB ALA 13 -14.063 -8.318 -3.506 81 HB3 ALA 13 3HB ALA 13 -13.944 -10.065 -3.721 82 H THR 14 H THR 14 -13.562 -7.087 -5.763 83 HA THR 14 HA THR 14 -11.950 -4.937 -4.645 84 HB THR 14 HB THR 14 -12.219 -5.262 -7.640 85 HG1 THR 14 1HG THR 14 -10.182 -5.917 -5.815 86 HG21 THR 14 1HG2 THR 14 -12.002 -3.008 -7.473 87 HG22 THR 14 2HG2 THR 14 -10.297 -3.418 -7.285 88 HG23 THR 14 3HG2 THR 14 -11.287 -3.088 -5.864 89 H ALA 15 H ALA 15 -13.217 -3.278 -4.128 90 HA ALA 15 HA ALA 15 -15.690 -2.846 -5.660 91 HB1 ALA 15 1HB ALA 15 -16.392 -3.982 -3.678 92 HB2 ALA 15 2HB ALA 15 -15.427 -2.913 -2.659 93 HB3 ALA 15 3HB ALA 15 -16.835 -2.283 -3.515 94 HA PRO 16 HA PRO 16 -14.111 1.284 -5.861 95 HB2 PRO 16 1HB PRO 16 -16.340 2.452 -6.880 96 HB3 PRO 16 2HB PRO 16 -15.253 1.449 -7.848 97 HG2 PRO 16 1HG PRO 16 -17.858 0.724 -6.562 98 HG3 PRO 16 2HG PRO 16 -17.255 0.313 -8.178 99 HD2 PRO 16 1HD PRO 16 -17.173 -1.429 -6.107 100 HD3 PRO 16 2HD PRO 16 -15.946 -1.412 -7.389 101 H ILE 17 H ILE 17 -13.937 2.753 -4.295 102 HA ILE 17 HA ILE 17 -15.770 2.815 -2.100 103 HB ILE 17 HB ILE 17 -13.408 4.575 -2.761 104 HG12 ILE 17 1HG1 ILE 17 -13.820 2.116 -1.095 105 HG13 ILE 17 2HG1 ILE 17 -12.537 2.478 -2.244 106 HG21 ILE 17 1HG2 ILE 17 -14.927 4.436 -0.162 107 HG22 ILE 17 2HG2 ILE 17 -13.569 5.491 -0.551 108 HG23 ILE 17 3HG2 ILE 17 -15.120 5.716 -1.360 109 HD11 ILE 17 1HD1 ILE 17 -11.625 4.122 -0.657 110 HD12 ILE 17 2HD1 ILE 17 -12.873 3.661 0.500 111 HD13 ILE 17 3HD1 ILE 17 -11.662 2.484 -0.007 112 HA PRO 18 HA PRO 18 -18.564 5.838 -3.716 113 HB2 PRO 18 1HB PRO 18 -19.820 6.434 -1.384 114 HB3 PRO 18 2HB PRO 18 -20.112 4.937 -2.277 115 HG2 PRO 18 1HG PRO 18 -18.365 5.410 0.107 116 HG3 PRO 18 2HG PRO 18 -19.471 4.063 -0.219 117 HD2 PRO 18 1HD PRO 18 -16.795 3.871 -0.585 118 HD3 PRO 18 2HD PRO 18 -17.963 2.992 -1.593 119 H GLY 19 H GLY 19 -18.012 7.851 -4.251 120 HA2 GLY 19 1HA GLY 19 -17.789 10.158 -3.711 121 HA3 GLY 19 2HA GLY 19 -17.177 9.699 -2.129 122 H THR 20 H THR 20 -15.139 8.037 -2.624 123 HA THR 20 HA THR 20 -13.227 9.794 -3.972 124 HB THR 20 HB THR 20 -11.571 8.961 -2.619 125 HG1 THR 20 1HG THR 20 -13.023 6.565 -2.793 126 HG21 THR 20 1HG2 THR 20 -12.553 8.445 -0.337 127 HG22 THR 20 2HG2 THR 20 -14.140 8.561 -1.099 128 HG23 THR 20 3HG2 THR 20 -13.067 9.960 -1.078 129 HA PRO 21 HA PRO 21 -12.704 7.130 -7.431 130 HB2 PRO 21 1HB PRO 21 -10.134 7.709 -8.086 131 HB3 PRO 21 2HB PRO 21 -11.474 8.825 -8.374 132 HG2 PRO 21 1HG PRO 21 -9.479 8.797 -6.142 133 HG3 PRO 21 2HG PRO 21 -10.095 10.174 -7.074 134 HD2 PRO 21 1HD PRO 21 -11.011 9.563 -4.600 135 HD3 PRO 21 2HD PRO 21 -12.042 10.295 -5.846 136 H TRP 22 H TRP 22 -11.239 6.605 -4.493 137 HA TRP 22 HA TRP 22 -9.361 4.577 -5.213 138 HB2 TRP 22 1HB TRP 22 -10.638 5.368 -2.597 139 HB3 TRP 22 2HB TRP 22 -9.504 4.026 -2.727 140 HD1 TRP 22 HD TRP 22 -9.659 7.814 -2.668 141 HE1 TRP 22 1HE TRP 22 -7.266 8.755 -2.572 142 HE3 TRP 22 3HE TRP 22 -7.056 3.493 -3.493 143 HZ2 TRP 22 2HZ TRP 22 -4.623 7.792 -2.815 144 HZ3 TRP 22 3HZ TRP 22 -4.598 3.589 -3.547 145 HH2 TRP 22 HH TRP 22 -3.409 5.695 -3.215 146 H CYS 23 H CYS 23 -9.543 2.308 -4.682 147 HA CYS 23 HA CYS 23 -12.285 1.288 -4.504 148 HB2 CYS 23 1HB CYS 23 -10.249 0.337 -6.531 149 HB3 CYS 23 2HB CYS 23 -11.853 -0.342 -6.285 150 HG CYS 23 HG CYS 23 -13.180 1.351 -7.726 151 H VAL 24 H VAL 24 -12.355 0.027 -2.775 152 HA VAL 24 HA VAL 24 -10.089 -1.007 -1.461 153 HB VAL 24 HB VAL 24 -12.970 -1.881 -1.201 154 HG11 VAL 24 1HG1 VAL 24 -11.783 -2.254 1.233 155 HG12 VAL 24 2HG1 VAL 24 -12.073 -3.519 0.037 156 HG13 VAL 24 3HG1 VAL 24 -10.500 -2.725 0.118 157 HG21 VAL 24 1HG2 VAL 24 -13.073 0.331 -0.603 158 HG22 VAL 24 2HG2 VAL 24 -12.638 -0.395 0.944 159 HG23 VAL 24 3HG2 VAL 24 -11.399 0.373 -0.048 160 H VAL 25 H VAL 25 -8.985 -2.853 -1.679 161 HA VAL 25 HA VAL 25 -10.134 -4.986 -3.353 162 HB VAL 25 HB VAL 25 -7.242 -4.112 -3.408 163 HG11 VAL 25 1HG1 VAL 25 -7.559 -5.631 -5.594 164 HG12 VAL 25 2HG1 VAL 25 -7.042 -6.278 -4.036 165 HG13 VAL 25 3HG1 VAL 25 -8.731 -6.405 -4.528 166 HG21 VAL 25 1HG2 VAL 25 -8.957 -2.550 -4.467 167 HG22 VAL 25 2HG2 VAL 25 -7.629 -3.095 -5.491 168 HG23 VAL 25 3HG2 VAL 25 -9.224 -3.831 -5.649 169 H TRP 26 H TRP 26 -10.228 -6.861 -2.323 170 HA TRP 26 HA TRP 26 -8.609 -7.241 0.086 171 HB2 TRP 26 1HB TRP 26 -11.067 -8.658 -0.953 172 HB3 TRP 26 2HB TRP 26 -10.169 -9.195 0.464 173 HD1 TRP 26 HD TRP 26 -10.447 -7.796 2.698 174 HE1 TRP 26 1HE TRP 26 -12.123 -5.983 3.425 175 HE3 TRP 26 3HE TRP 26 -12.437 -6.653 -1.870 176 HZ2 TRP 26 2HZ TRP 26 -14.035 -4.292 2.221 177 HZ3 TRP 26 3HZ TRP 26 -14.186 -4.926 -1.996 178 HH2 TRP 26 HH TRP 26 -14.967 -3.772 0.008 179 H THR 27 H THR 27 -7.743 -9.441 0.495 180 HA THR 27 HA THR 27 -6.946 -10.823 -1.976 181 HB THR 27 HB THR 27 -4.680 -11.184 -0.946 182 HG1 THR 27 1HG THR 27 -5.159 -8.940 0.679 183 HG21 THR 27 1HG2 THR 27 -5.396 -8.293 -1.446 184 HG22 THR 27 2HG2 THR 27 -5.108 -9.491 -2.707 185 HG23 THR 27 3HG2 THR 27 -3.803 -9.030 -1.615 186 H GLY 28 H GLY 28 -5.595 -12.908 -1.171 187 HA2 GLY 28 1HA GLY 28 -7.544 -14.458 0.299 188 HA3 GLY 28 2HA GLY 28 -6.090 -15.069 -0.476 189 H ASP 29 H ASP 29 -4.642 -12.804 1.045 190 HA ASP 29 HA ASP 29 -4.125 -14.428 3.413 191 HB2 ASP 29 1HB ASP 29 -2.365 -13.328 1.766 192 HB3 ASP 29 2HB ASP 29 -2.594 -11.935 2.819 193 H GLU 30 H GLU 30 -6.578 -13.229 3.556 194 HA GLU 30 HA GLU 30 -7.872 -11.688 4.672 195 HB2 GLU 30 1HB GLU 30 -5.827 -12.702 6.611 196 HB3 GLU 30 2HB GLU 30 -6.981 -11.482 7.132 197 HG2 GLU 30 1HG GLU 30 -8.825 -12.958 6.509 198 HG3 GLU 30 2HG GLU 30 -7.667 -14.181 5.990 199 H ARG 31 H ARG 31 -6.122 -10.337 3.013 200 HA ARG 31 HA ARG 31 -5.519 -7.952 4.629 201 HB2 ARG 31 1HB ARG 31 -3.808 -9.391 2.666 202 HB3 ARG 31 2HB ARG 31 -3.734 -7.634 2.671 203 HG2 ARG 31 1HG ARG 31 -3.474 -9.094 5.252 204 HG3 ARG 31 2HG ARG 31 -2.104 -9.053 4.141 205 HD2 ARG 31 1HD ARG 31 -1.958 -6.710 4.238 206 HD3 ARG 31 2HD ARG 31 -3.562 -6.559 4.955 207 HE ARG 31 HE ARG 31 -2.640 -6.932 7.020 208 HH11 ARG 31 2HH1 ARG 31 -0.344 -7.818 4.557 209 HH12 ARG 31 1HH1 ARG 31 0.960 -8.050 5.673 210 HH21 ARG 31 2HH2 ARG 31 -0.931 -7.235 8.499 211 HH22 ARG 31 1HH2 ARG 31 0.625 -7.719 7.915 212 H VAL 32 H VAL 32 -5.587 -5.927 3.431 213 HA VAL 32 HA VAL 32 -6.969 -5.973 0.868 214 HB VAL 32 HB VAL 32 -8.832 -5.987 2.407 215 HG11 VAL 32 1HG1 VAL 32 -8.886 -3.682 3.820 216 HG12 VAL 32 2HG1 VAL 32 -8.330 -5.227 4.466 217 HG13 VAL 32 3HG1 VAL 32 -7.163 -4.051 3.861 218 HG21 VAL 32 1HG2 VAL 32 -8.269 -3.844 0.589 219 HG22 VAL 32 2HG2 VAL 32 -9.807 -4.636 0.936 220 HG23 VAL 32 3HG2 VAL 32 -9.285 -3.259 1.906 221 H PHE 33 H PHE 33 -6.515 -4.235 -0.395 222 HA PHE 33 HA PHE 33 -5.020 -2.016 0.830 223 HB2 PHE 33 1HB PHE 33 -3.528 -1.958 -1.105 224 HB3 PHE 33 2HB PHE 33 -3.455 -3.533 -0.321 225 HD1 PHE 33 1HD PHE 33 -4.547 -5.484 -1.365 226 HD2 PHE 33 2HD PHE 33 -4.296 -1.720 -3.336 227 HE1 PHE 33 1HE PHE 33 -5.054 -6.578 -3.510 228 HE2 PHE 33 2HE PHE 33 -4.803 -2.808 -5.484 229 HZ PHE 33 HZ PHE 33 -5.184 -5.239 -5.573 230 H PHE 34 H PHE 34 -4.904 -0.088 -0.668 231 HA PHE 34 HA PHE 34 -7.542 0.285 -1.907 232 HB2 PHE 34 1HB PHE 34 -5.612 2.457 -1.089 233 HB3 PHE 34 2HB PHE 34 -7.325 2.621 -1.464 234 HD1 PHE 34 2HD PHE 34 -4.991 1.037 0.955 235 HD2 PHE 34 1HD PHE 34 -8.902 2.554 0.233 236 HE1 PHE 34 2HE PHE 34 -5.533 0.765 3.339 237 HE2 PHE 34 1HE PHE 34 -9.450 2.285 2.616 238 HZ PHE 34 HZ PHE 34 -7.765 1.388 4.173 239 H TYR 35 H TYR 35 -7.734 0.680 -4.024 240 HA TYR 35 HA TYR 35 -5.268 1.195 -5.554 241 HB2 TYR 35 1HB TYR 35 -6.026 -1.016 -6.077 242 HB3 TYR 35 2HB TYR 35 -7.684 -0.464 -6.283 243 HD1 TYR 35 1HD TYR 35 -4.310 0.390 -7.665 244 HD2 TYR 35 2HD TYR 35 -8.423 -0.355 -8.458 245 HE1 TYR 35 1HE TYR 35 -3.897 0.706 -10.069 246 HE2 TYR 35 2HE TYR 35 -8.022 -0.042 -10.864 247 HH TYR 35 HH TYR 35 -5.513 1.452 -12.130 248 H ASN 36 H ASN 36 -5.502 2.453 -7.500 249 HA ASN 36 HA ASN 36 -7.920 4.115 -7.610 250 HB2 ASN 36 1HB ASN 36 -6.065 5.279 -6.359 251 HB3 ASN 36 2HB ASN 36 -5.125 5.241 -7.848 252 HD21 ASN 36 1HD2 ASN 36 -6.895 7.194 -6.019 253 HD22 ASN 36 2HD2 ASN 36 -7.553 8.253 -7.216 254 HA PRO 37 HA PRO 37 -7.173 2.594 -11.822 255 HB2 PRO 37 1HB PRO 37 -9.752 2.908 -12.612 256 HB3 PRO 37 2HB PRO 37 -9.190 1.501 -11.702 257 HG2 PRO 37 1HG PRO 37 -10.608 3.948 -10.721 258 HG3 PRO 37 2HG PRO 37 -10.879 2.250 -10.289 259 HD2 PRO 37 1HD PRO 37 -9.476 3.948 -8.714 260 HD3 PRO 37 2HD PRO 37 -9.111 2.213 -8.810 261 H THR 38 H THR 38 -7.838 5.594 -10.528 262 HA THR 38 HA THR 38 -8.176 6.917 -13.117 263 HB THR 38 HB THR 38 -8.165 8.178 -10.370 264 HG1 THR 38 1HG THR 38 -10.484 7.692 -11.911 265 HG21 THR 38 1HG2 THR 38 -8.849 9.158 -13.126 266 HG22 THR 38 2HG2 THR 38 -7.769 9.879 -11.933 267 HG23 THR 38 3HG2 THR 38 -9.514 9.926 -11.685 268 H THR 39 H THR 39 -5.894 6.577 -10.475 269 HA THR 39 HA THR 39 -3.940 8.142 -12.034 270 HB THR 39 HB THR 39 -2.820 8.732 -9.943 271 HG1 THR 39 1HG THR 39 -4.206 8.258 -7.979 272 HG21 THR 39 1HG2 THR 39 -5.117 9.837 -10.898 273 HG22 THR 39 2HG2 THR 39 -4.156 10.511 -9.582 274 HG23 THR 39 3HG2 THR 39 -5.561 9.508 -9.224 275 H ARG 40 H ARG 40 -4.701 5.147 -11.721 276 HA ARG 40 HA ARG 40 -3.653 3.120 -11.540 277 HB2 ARG 40 1HB ARG 40 -1.461 4.794 -12.777 278 HB3 ARG 40 2HB ARG 40 -1.458 3.036 -12.719 279 HG2 ARG 40 1HG ARG 40 -3.729 3.220 -13.931 280 HG3 ARG 40 2HG ARG 40 -3.212 4.867 -14.301 281 HD2 ARG 40 1HD ARG 40 -2.573 3.480 -16.133 282 HD3 ARG 40 2HD ARG 40 -1.109 3.906 -15.248 283 HE ARG 40 HE ARG 40 -0.827 1.695 -14.704 284 HH11 ARG 40 2HH1 ARG 40 -4.037 2.181 -15.960 285 HH12 ARG 40 1HH1 ARG 40 -4.396 0.489 -16.058 286 HH21 ARG 40 2HH2 ARG 40 -1.288 -0.536 -14.828 287 HH22 ARG 40 1HH2 ARG 40 -2.832 -1.055 -15.413 288 H LEU 41 H LEU 41 -3.522 4.690 -9.153 289 HA LEU 41 HA LEU 41 -0.851 4.105 -8.098 290 HB2 LEU 41 1HB LEU 41 -2.215 6.345 -7.826 291 HB3 LEU 41 2HB LEU 41 -2.958 5.465 -6.492 292 HG LEU 41 HG LEU 41 -1.031 6.995 -5.906 293 HD11 LEU 41 1HD1 LEU 41 -0.518 4.137 -5.147 294 HD12 LEU 41 2HD1 LEU 41 -1.919 5.028 -4.553 295 HD13 LEU 41 3HD1 LEU 41 -0.291 5.595 -4.180 296 HD21 LEU 41 1HD2 LEU 41 1.099 6.582 -6.576 297 HD22 LEU 41 2HD2 LEU 41 0.253 5.950 -7.989 298 HD23 LEU 41 3HD2 LEU 41 0.832 4.846 -6.740 299 H SER 42 H SER 42 -0.491 2.614 -6.539 300 HA SER 42 HA SER 42 -2.789 1.312 -5.270 301 HB2 SER 42 1HB SER 42 -1.892 -0.914 -5.738 302 HB3 SER 42 2HB SER 42 -2.187 -0.048 -7.246 303 HG SER 42 HG SER 42 0.318 -0.336 -5.938 304 H MET 43 H MET 43 -2.422 1.796 -3.195 305 HA MET 43 HA MET 43 0.305 1.481 -2.140 306 HB2 MET 43 1HB MET 43 -1.972 2.849 -0.723 307 HB3 MET 43 2HB MET 43 -0.247 3.005 -0.418 308 HG2 MET 43 1HG MET 43 -0.255 3.909 -2.898 309 HG3 MET 43 2HG MET 43 -1.932 4.275 -2.499 310 HE1 MET 43 1HE MET 43 -1.205 6.235 0.926 311 HE2 MET 43 2HE MET 43 -2.052 4.814 0.315 312 HE3 MET 43 3HE MET 43 -0.418 4.657 0.962 313 H TRP 44 H TRP 44 0.535 0.540 0.008 314 HA TRP 44 HA TRP 44 -1.245 -1.748 0.319 315 HB2 TRP 44 1HB TRP 44 1.532 -1.089 1.160 316 HB3 TRP 44 2HB TRP 44 0.621 -2.198 2.182 317 HD1 TRP 44 HD TRP 44 2.829 -2.206 -0.736 318 HE1 TRP 44 1HE TRP 44 2.703 -4.452 -1.987 319 HE3 TRP 44 3HE TRP 44 -1.384 -4.113 1.442 320 HZ2 TRP 44 2HZ TRP 44 1.037 -6.730 -2.043 321 HZ3 TRP 44 3HZ TRP 44 -2.178 -6.332 0.733 322 HH2 TRP 44 HH TRP 44 -0.991 -7.611 -0.974 323 H ASP 45 H ASP 45 -0.845 1.332 1.615 324 HA ASP 45 HA ASP 45 -2.376 0.570 4.016 325 HB2 ASP 45 1HB ASP 45 -0.110 2.512 3.702 326 HB3 ASP 45 2HB ASP 45 -1.317 2.761 4.961 327 H ARG 46 H ARG 46 -3.635 2.474 4.917 328 HA ARG 46 HA ARG 46 -5.296 3.509 2.824 329 HB2 ARG 46 1HB ARG 46 -6.044 2.763 5.150 330 HB3 ARG 46 2HB ARG 46 -5.407 4.295 5.731 331 HG2 ARG 46 1HG ARG 46 -7.297 4.384 3.453 332 HG3 ARG 46 2HG ARG 46 -7.946 3.975 5.042 333 HD2 ARG 46 1HD ARG 46 -6.161 6.353 4.650 334 HD3 ARG 46 2HD ARG 46 -7.894 6.449 4.338 335 HE ARG 46 HE ARG 46 -6.592 6.237 6.911 336 HH11 ARG 46 2HH1 ARG 46 -9.555 5.913 5.112 337 HH12 ARG 46 1HH1 ARG 46 -10.572 6.089 6.504 338 HH21 ARG 46 2HH2 ARG 46 -7.920 6.469 8.751 339 HH22 ARG 46 1HH2 ARG 46 -9.641 6.406 8.573 340 HA PRO 47 HA PRO 47 -2.742 7.163 2.332 341 HB2 PRO 47 1HB PRO 47 -4.120 8.129 0.201 342 HB3 PRO 47 2HB PRO 47 -2.933 6.827 0.067 343 HG2 PRO 47 1HG PRO 47 -5.918 6.661 0.210 344 HG3 PRO 47 2HG PRO 47 -4.797 5.771 -0.836 345 HD2 PRO 47 1HD PRO 47 -5.874 4.689 1.401 346 HD3 PRO 47 2HD PRO 47 -4.251 4.263 0.820 347 H ASP 48 H ASP 48 -3.090 9.456 2.465 348 HA ASP 48 HA ASP 48 -4.943 10.243 4.393 349 HB2 ASP 48 1HB ASP 48 -4.390 12.614 3.368 350 HB3 ASP 48 2HB ASP 48 -3.170 11.707 4.259 351 H ASP 49 H ASP 49 -5.025 10.682 0.869 352 HA ASP 49 HA ASP 49 -7.195 12.202 0.440 353 HB2 ASP 49 1HB ASP 49 -6.398 9.644 -0.939 354 HB3 ASP 49 2HB ASP 49 -7.748 10.624 -1.505 355 H LEU 50 H LEU 50 -7.211 9.039 1.874 356 HA LEU 50 HA LEU 50 -10.148 9.008 1.877 357 HB2 LEU 50 1HB LEU 50 -8.111 6.852 2.388 358 HB3 LEU 50 2HB LEU 50 -9.837 6.642 2.681 359 HG LEU 50 HG LEU 50 -8.613 7.259 -0.006 360 HD11 LEU 50 1HD1 LEU 50 -8.038 5.113 -0.062 361 HD12 LEU 50 2HD1 LEU 50 -9.761 4.735 -0.064 362 HD13 LEU 50 3HD1 LEU 50 -8.870 4.778 1.458 363 HD21 LEU 50 1HD2 LEU 50 -11.206 7.620 0.886 364 HD22 LEU 50 2HD2 LEU 50 -11.252 6.059 0.068 365 HD23 LEU 50 3HD2 LEU 50 -10.684 7.490 -0.793 366 H ILE 51 H ILE 51 -7.337 9.188 3.924 367 HA ILE 51 HA ILE 51 -8.290 8.518 6.403 368 HB ILE 51 HB ILE 51 -6.434 10.760 5.626 369 HG12 ILE 51 1HG1 ILE 51 -5.969 8.028 6.841 370 HG13 ILE 51 2HG1 ILE 51 -5.637 8.487 5.174 371 HG21 ILE 51 1HG2 ILE 51 -6.613 11.593 7.677 372 HG22 ILE 51 2HG2 ILE 51 -7.715 10.303 8.154 373 HG23 ILE 51 3HG2 ILE 51 -5.973 10.073 8.301 374 HD11 ILE 51 1HD1 ILE 51 -3.681 9.411 5.705 375 HD12 ILE 51 2HD1 ILE 51 -4.331 10.194 7.145 376 HD13 ILE 51 3HD1 ILE 51 -3.832 8.504 7.210 377 H GLY 52 H GLY 52 -9.996 9.144 7.540 378 HA2 GLY 52 1HA GLY 52 -11.069 10.986 8.734 379 HA3 GLY 52 2HA GLY 52 -10.905 11.941 7.268 380 H ARG 53 H ARG 53 -11.709 9.636 5.582 381 HA ARG 53 HA ARG 53 -14.543 10.117 5.694 382 HB2 ARG 53 1HB ARG 53 -12.949 8.290 3.885 383 HB3 ARG 53 2HB ARG 53 -14.635 8.738 3.664 384 HG2 ARG 53 1HG ARG 53 -13.609 11.179 3.723 385 HG3 ARG 53 2HG ARG 53 -12.172 10.310 3.180 386 HD2 ARG 53 1HD ARG 53 -13.125 9.701 1.189 387 HD3 ARG 53 2HD ARG 53 -14.763 9.734 1.840 388 HE ARG 53 HE ARG 53 -13.474 12.313 1.650 389 HH11 ARG 53 2HH1 ARG 53 -15.495 9.953 0.079 390 HH12 ARG 53 1HH1 ARG 53 -16.219 11.099 -0.999 391 HH21 ARG 53 2HH2 ARG 53 -14.421 13.831 0.236 392 HH22 ARG 53 1HH2 ARG 53 -15.607 13.305 -0.910 393 H ALA 54 H ALA 54 -16.154 8.706 6.237 394 HA ALA 54 HA ALA 54 -15.380 6.461 7.903 395 HB1 ALA 54 1HB ALA 54 -17.736 6.360 8.517 396 HB2 ALA 54 2HB ALA 54 -17.114 8.003 8.677 397 HB3 ALA 54 3HB ALA 54 -18.118 7.571 7.293 398 H ASP 55 H ASP 55 -17.090 7.042 4.871 399 HA ASP 55 HA ASP 55 -18.171 4.574 4.351 400 HB2 ASP 55 1HB ASP 55 -17.464 5.168 1.876 401 HB3 ASP 55 2HB ASP 55 -18.691 6.111 2.716 402 H VAL 56 H VAL 56 -14.867 5.635 3.551 403 HA VAL 56 HA VAL 56 -13.905 3.360 2.352 404 HB VAL 56 HB VAL 56 -12.538 5.332 2.458 405 HG11 VAL 56 1HG1 VAL 56 -11.926 4.926 5.350 406 HG12 VAL 56 2HG1 VAL 56 -11.805 6.387 4.368 407 HG13 VAL 56 3HG1 VAL 56 -13.386 5.800 4.888 408 HG21 VAL 56 1HG2 VAL 56 -11.356 2.942 3.849 409 HG22 VAL 56 2HG2 VAL 56 -11.244 3.380 2.144 410 HG23 VAL 56 3HG2 VAL 56 -10.388 4.332 3.358 411 H ASP 57 H ASP 57 -14.011 4.074 5.830 412 HA ASP 57 HA ASP 57 -12.773 1.702 6.695 413 HB2 ASP 57 1HB ASP 57 -14.482 3.789 7.963 414 HB3 ASP 57 2HB ASP 57 -14.272 2.267 8.823 415 H LYS 58 H LYS 58 -16.243 2.524 6.851 416 HA LYS 58 HA LYS 58 -17.347 0.204 7.632 417 HB2 LYS 58 1HB LYS 58 -18.672 2.171 7.043 418 HB3 LYS 58 2HB LYS 58 -18.332 1.910 5.337 419 HG2 LYS 58 1HG LYS 58 -19.436 -0.402 5.729 420 HG3 LYS 58 2HG LYS 58 -20.115 0.365 7.167 421 HD2 LYS 58 1HD LYS 58 -21.154 2.074 5.823 422 HD3 LYS 58 2HD LYS 58 -20.364 1.462 4.367 423 HE2 LYS 58 1HE LYS 58 -22.610 0.676 4.338 424 HE3 LYS 58 2HE LYS 58 -21.581 -0.700 4.731 425 HZ1 LYS 58 1HZ LYS 58 -23.110 -0.960 6.349 426 HZ2 LYS 58 2HZ LYS 58 -23.552 0.672 6.373 427 HZ3 LYS 58 3HZ LYS 58 -22.146 0.165 7.166 428 H ILE 59 H ILE 59 -16.554 0.906 4.227 429 HA ILE 59 HA ILE 59 -17.281 -1.481 3.079 430 HB ILE 59 HB ILE 59 -14.859 0.186 2.385 431 HG12 ILE 59 1HG1 ILE 59 -17.474 0.235 0.921 432 HG13 ILE 59 2HG1 ILE 59 -17.292 1.168 2.402 433 HG21 ILE 59 1HG2 ILE 59 -15.430 -2.326 1.466 434 HG22 ILE 59 2HG2 ILE 59 -16.191 -1.299 0.252 435 HG23 ILE 59 3HG2 ILE 59 -14.474 -1.119 0.608 436 HD11 ILE 59 1HD1 ILE 59 -16.542 2.786 1.075 437 HD12 ILE 59 2HD1 ILE 59 -15.050 1.849 0.991 438 HD13 ILE 59 3HD1 ILE 59 -16.271 1.679 -0.271 439 H ILE 60 H ILE 60 -14.054 -0.686 4.375 440 HA ILE 60 HA ILE 60 -12.891 -3.191 3.973 441 HB ILE 60 HB ILE 60 -12.304 -1.088 6.054 442 HG12 ILE 60 1HG1 ILE 60 -10.585 -1.818 3.704 443 HG13 ILE 60 2HG1 ILE 60 -11.968 -0.751 3.486 444 HG21 ILE 60 1HG2 ILE 60 -11.284 -2.819 7.105 445 HG22 ILE 60 2HG2 ILE 60 -11.137 -3.773 5.630 446 HG23 ILE 60 3HG2 ILE 60 -10.013 -2.451 5.940 447 HD11 ILE 60 1HD1 ILE 60 -9.951 -0.165 5.604 448 HD12 ILE 60 2HD1 ILE 60 -9.629 0.254 3.921 449 HD13 ILE 60 3HD1 ILE 60 -11.032 0.933 4.746 450 H GLN 61 H GLN 61 -14.736 -1.933 6.714 451 HA GLN 61 HA GLN 61 -14.334 -4.072 8.476 452 HB2 GLN 61 1HB GLN 61 -16.724 -2.241 8.209 453 HB3 GLN 61 2HB GLN 61 -16.410 -3.294 9.582 454 HG2 GLN 61 1HG GLN 61 -14.158 -2.023 9.722 455 HG3 GLN 61 2HG GLN 61 -14.981 -0.814 8.738 456 HE21 GLN 61 1HE2 GLN 61 -17.356 -0.479 9.636 457 HE22 GLN 61 2HE2 GLN 61 -17.414 -0.118 11.324 458 H GLU 62 H GLU 62 -17.094 -3.462 6.299 459 HA GLU 62 HA GLU 62 -17.732 -6.332 6.458 460 HB2 GLU 62 1HB GLU 62 -19.572 -5.055 7.277 461 HB3 GLU 62 2HB GLU 62 -19.480 -3.934 5.927 462 HG2 GLU 62 1HG GLU 62 -20.494 -5.386 4.469 463 HG3 GLU 62 2HG GLU 62 -20.010 -6.813 5.385 464 HA PRO 63 HA PRO 63 -16.138 -5.812 2.191 465 HB2 PRO 63 1HB PRO 63 -15.155 -8.337 2.031 466 HB3 PRO 63 2HB PRO 63 -14.259 -7.003 2.766 467 HG2 PRO 63 1HG PRO 63 -15.867 -9.156 4.084 468 HG3 PRO 63 2HG PRO 63 -14.286 -8.500 4.545 469 HD2 PRO 63 1HD PRO 63 -16.584 -7.759 5.770 470 HD3 PRO 63 2HD PRO 63 -15.210 -6.653 5.568 471 HA PRO 64 HA PRO 64 -19.489 -7.729 0.080 472 HB2 PRO 64 1HB PRO 64 -18.371 -8.196 -2.350 473 HB3 PRO 64 2HB PRO 64 -18.811 -6.578 -1.789 474 HG2 PRO 64 1HG PRO 64 -16.133 -7.915 -1.802 475 HG3 PRO 64 2HG PRO 64 -16.554 -6.250 -2.243 476 HD2 PRO 64 1HD PRO 64 -15.478 -6.894 0.157 477 HD3 PRO 64 2HD PRO 64 -16.623 -5.553 -0.047 478 H HIS 65 H HIS 65 -16.366 -9.379 -0.375 479 HA HIS 65 HA HIS 65 -17.342 -11.856 -1.191 480 HB2 HIS 65 1HB HIS 65 -15.165 -12.745 -0.205 481 HB3 HIS 65 2HB HIS 65 -15.016 -11.476 -1.417 482 HD1 HIS 65 1HD HIS 65 -15.059 -11.789 2.374 483 HD2 HIS 65 2HD HIS 65 -13.453 -9.409 -0.630 484 HE1 HIS 65 1HE HIS 65 -13.538 -10.163 3.544 485 H LYS 66 H LYS 66 -17.705 -10.322 1.787 486 HA LYS 66 HA LYS 66 -18.053 -12.827 3.260 487 HB2 LYS 66 1HB LYS 66 -17.698 -9.966 4.027 488 HB3 LYS 66 2HB LYS 66 -18.577 -11.016 5.130 489 HG2 LYS 66 1HG LYS 66 -15.934 -11.905 4.083 490 HG3 LYS 66 2HG LYS 66 -15.996 -10.689 5.362 491 HD2 LYS 66 1HD LYS 66 -17.349 -12.212 6.730 492 HD3 LYS 66 2HD LYS 66 -17.265 -13.427 5.453 493 HE2 LYS 66 1HE LYS 66 -15.560 -14.129 6.816 494 HE3 LYS 66 2HE LYS 66 -14.679 -13.067 5.719 495 HZ1 LYS 66 1HZ LYS 66 -15.588 -11.452 7.758 496 HZ2 LYS 66 2HZ LYS 66 -13.998 -11.969 7.503 497 HZ3 LYS 66 3HZ LYS 66 -15.019 -12.849 8.526 498 H LYS 67 H LYS 67 -19.966 -13.596 2.361 499 HA LYS 67 HA LYS 67 -22.362 -11.972 2.917 500 HB2 LYS 67 1HB LYS 67 -21.988 -14.098 0.799 501 HB3 LYS 67 2HB LYS 67 -23.477 -13.214 1.105 502 HG2 LYS 67 1HG LYS 67 -20.905 -11.865 0.335 503 HG3 LYS 67 2HG LYS 67 -22.099 -12.418 -0.841 504 HD2 LYS 67 1HD LYS 67 -23.037 -10.716 1.409 505 HD3 LYS 67 2HD LYS 67 -22.116 -9.946 0.115 506 HE2 LYS 67 1HE LYS 67 -24.416 -9.769 -0.459 507 HE3 LYS 67 2HE LYS 67 -23.711 -10.994 -1.512 508 HZ1 LYS 67 1HZ LYS 67 -24.927 -11.888 0.992 509 HZ2 LYS 67 2HZ LYS 67 -24.868 -12.656 -0.513 510 HZ3 LYS 67 3HZ LYS 67 -25.965 -11.395 -0.250 511 H SER 68 H SER 68 -22.444 -12.809 5.064 512 HA SER 68 HA SER 68 -23.494 -15.557 5.173 513 HB2 SER 68 1HB SER 68 -21.473 -14.235 6.965 514 HB3 SER 68 2HB SER 68 -22.483 -15.550 7.566 515 HG SER 68 HG SER 68 -20.329 -15.635 5.903 516 H GLY 69 H GLY 69 -24.965 -15.968 6.963 517 HA2 GLY 69 1HA GLY 69 -26.384 -15.198 8.723 518 HA3 GLY 69 2HA GLY 69 -26.157 -13.555 8.144 519 HA PRO 70 HA PRO 70 -29.385 -15.834 5.296 520 HB2 PRO 70 1HB PRO 70 -30.671 -17.889 6.517 521 HB3 PRO 70 2HB PRO 70 -29.211 -18.111 5.546 522 HG2 PRO 70 1HG PRO 70 -29.500 -17.938 8.521 523 HG3 PRO 70 2HG PRO 70 -28.508 -19.047 7.556 524 HD2 PRO 70 1HD PRO 70 -27.479 -16.859 8.777 525 HD3 PRO 70 2HD PRO 70 -26.843 -17.484 7.242 526 H SER 71 H SER 71 -29.441 -14.579 8.340 527 HA SER 71 HA SER 71 -32.354 -14.422 8.545 528 HB2 SER 71 1HB SER 71 -31.934 -13.409 10.756 529 HB3 SER 71 2HB SER 71 -31.122 -14.966 10.593 530 HG SER 71 HG SER 71 -29.189 -13.868 10.212 531 H SER 72 H SER 72 -29.520 -12.291 8.359 532 HA SER 72 HA SER 72 -30.878 -9.850 8.359 533 HB2 SER 72 1HB SER 72 -28.398 -10.157 8.608 534 HB3 SER 72 2HB SER 72 -28.312 -10.454 6.872 535 HG SER 72 HG SER 72 -28.140 -8.156 7.986 536 H GLY 73 H GLY 73 -30.661 -8.331 6.322 537 HA2 GLY 73 1HA GLY 73 -32.281 -9.610 4.256 538 HA3 GLY 73 2HA GLY 73 -32.049 -7.881 4.474 Start of MODEL 3 1 H1 GLY 1 H GLY 1 17.414 -6.493 -18.285 2 HA2 GLY 1 1HA GLY 1 15.307 -7.441 -18.480 3 HA3 GLY 1 2HA GLY 1 15.890 -8.377 -17.112 4 H SER 2 H SER 2 13.364 -8.295 -16.989 5 HA SER 2 HA SER 2 12.637 -6.031 -15.247 6 HB2 SER 2 1HB SER 2 11.359 -6.043 -17.358 7 HB3 SER 2 2HB SER 2 10.802 -7.679 -17.005 8 HG SER 2 HG SER 2 10.131 -6.473 -14.896 9 H SER 3 H SER 3 12.628 -6.653 -13.197 10 HA SER 3 HA SER 3 11.252 -9.135 -12.481 11 HB2 SER 3 1HB SER 3 13.735 -9.565 -12.606 12 HB3 SER 3 2HB SER 3 13.937 -8.402 -11.295 13 HG SER 3 HG SER 3 12.456 -10.823 -11.219 14 H GLY 4 H GLY 4 9.749 -8.680 -11.024 15 HA2 GLY 4 1HA GLY 4 10.354 -6.807 -8.862 16 HA3 GLY 4 2HA GLY 4 8.991 -6.414 -9.901 17 H SER 5 H SER 5 7.068 -7.109 -9.258 18 HA SER 5 HA SER 5 6.964 -9.171 -7.175 19 HB2 SER 5 1HB SER 5 5.900 -6.878 -6.836 20 HB3 SER 5 2HB SER 5 4.699 -7.367 -8.030 21 HG SER 5 HG SER 5 5.149 -9.201 -6.023 22 H SER 6 H SER 6 7.476 -10.290 -9.548 23 HA SER 6 HA SER 6 5.008 -11.049 -10.867 24 HB2 SER 6 1HB SER 6 6.482 -12.380 -12.343 25 HB3 SER 6 2HB SER 6 7.007 -10.700 -12.231 26 HG SER 6 HG SER 6 8.080 -12.624 -10.486 27 H GLY 7 H GLY 7 4.698 -11.799 -8.335 28 HA2 GLY 7 1HA GLY 7 5.225 -14.708 -8.353 29 HA3 GLY 7 2HA GLY 7 5.174 -13.746 -6.884 30 H LYS 8 H LYS 8 3.633 -16.020 -7.166 31 HA LYS 8 HA LYS 8 1.051 -15.677 -8.148 32 HB2 LYS 8 1HB LYS 8 2.199 -17.787 -7.199 33 HB3 LYS 8 2HB LYS 8 1.628 -17.224 -5.634 34 HG2 LYS 8 1HG LYS 8 -0.685 -17.212 -6.559 35 HG3 LYS 8 2HG LYS 8 -0.044 -17.958 -8.025 36 HD2 LYS 8 1HD LYS 8 0.509 -19.191 -5.357 37 HD3 LYS 8 2HD LYS 8 -1.050 -19.452 -6.141 38 HE2 LYS 8 1HE LYS 8 -0.115 -20.616 -7.905 39 HE3 LYS 8 2HE LYS 8 1.473 -19.883 -7.682 40 HZ1 LYS 8 1HZ LYS 8 2.077 -21.467 -6.254 41 HZ2 LYS 8 2HZ LYS 8 0.769 -22.355 -6.855 42 HZ3 LYS 8 3HZ LYS 8 0.597 -21.452 -5.435 43 H ALA 9 H ALA 9 0.084 -13.744 -7.711 44 HA ALA 9 HA ALA 9 -1.044 -13.431 -5.076 45 HB1 ALA 9 1HB ALA 9 -0.233 -10.986 -5.004 46 HB2 ALA 9 2HB ALA 9 0.884 -12.261 -4.514 47 HB3 ALA 9 3HB ALA 9 1.026 -11.531 -6.113 48 H LYS 10 H LYS 10 -3.077 -12.788 -5.323 49 HA LYS 10 HA LYS 10 -3.801 -10.779 -7.266 50 HB2 LYS 10 1HB LYS 10 -5.341 -12.090 -8.534 51 HB3 LYS 10 2HB LYS 10 -3.803 -12.943 -8.546 52 HG2 LYS 10 1HG LYS 10 -5.209 -14.679 -8.124 53 HG3 LYS 10 2HG LYS 10 -4.858 -14.175 -6.469 54 HD2 LYS 10 1HD LYS 10 -6.922 -13.009 -6.298 55 HD3 LYS 10 2HD LYS 10 -7.226 -13.160 -8.030 56 HE2 LYS 10 1HE LYS 10 -8.605 -14.774 -7.031 57 HE3 LYS 10 2HE LYS 10 -7.220 -15.678 -7.644 58 HZ1 LYS 10 1HZ LYS 10 -7.972 -15.081 -4.874 59 HZ2 LYS 10 2HZ LYS 10 -6.328 -15.235 -5.242 60 HZ3 LYS 10 3HZ LYS 10 -7.386 -16.520 -5.546 61 HA PRO 11 HA PRO 11 -6.730 -9.871 -4.108 62 HB2 PRO 11 1HB PRO 11 -8.462 -8.353 -5.546 63 HB3 PRO 11 2HB PRO 11 -6.868 -7.778 -5.045 64 HG2 PRO 11 1HG PRO 11 -7.741 -8.876 -7.690 65 HG3 PRO 11 2HG PRO 11 -6.702 -7.480 -7.346 66 HD2 PRO 11 1HD PRO 11 -5.708 -9.890 -8.077 67 HD3 PRO 11 2HD PRO 11 -4.844 -8.794 -6.981 68 H VAL 12 H VAL 12 -8.613 -10.675 -3.301 69 HA VAL 12 HA VAL 12 -9.955 -12.717 -4.867 70 HB VAL 12 HB VAL 12 -11.169 -13.218 -2.766 71 HG11 VAL 12 1HG1 VAL 12 -9.236 -14.072 -1.528 72 HG12 VAL 12 2HG1 VAL 12 -9.064 -14.342 -3.263 73 HG13 VAL 12 3HG1 VAL 12 -8.172 -13.038 -2.479 74 HG21 VAL 12 1HG2 VAL 12 -10.005 -10.655 -1.999 75 HG22 VAL 12 2HG2 VAL 12 -11.401 -11.507 -1.341 76 HG23 VAL 12 3HG2 VAL 12 -9.777 -11.920 -0.792 77 H ALA 13 H ALA 13 -10.646 -9.569 -3.466 78 HA ALA 13 HA ALA 13 -13.040 -9.393 -5.123 79 HB1 ALA 13 1HB ALA 13 -13.035 -9.382 -2.151 80 HB2 ALA 13 2HB ALA 13 -14.138 -8.291 -2.990 81 HB3 ALA 13 3HB ALA 13 -14.226 -10.029 -3.279 82 H THR 14 H THR 14 -13.851 -7.185 -5.317 83 HA THR 14 HA THR 14 -12.162 -5.034 -4.368 84 HB THR 14 HB THR 14 -12.471 -5.414 -7.349 85 HG1 THR 14 1HG THR 14 -10.573 -6.401 -7.347 86 HG21 THR 14 1HG2 THR 14 -11.096 -3.396 -5.606 87 HG22 THR 14 2HG2 THR 14 -12.197 -3.129 -6.958 88 HG23 THR 14 3HG2 THR 14 -10.552 -3.689 -7.257 89 H ALA 15 H ALA 15 -13.262 -3.156 -4.175 90 HA ALA 15 HA ALA 15 -15.759 -2.791 -5.649 91 HB1 ALA 15 1HB ALA 15 -16.841 -2.051 -3.454 92 HB2 ALA 15 2HB ALA 15 -16.655 -3.783 -3.730 93 HB3 ALA 15 3HB ALA 15 -15.538 -2.935 -2.660 94 HA PRO 16 HA PRO 16 -14.136 1.308 -5.931 95 HB2 PRO 16 1HB PRO 16 -16.372 2.523 -6.877 96 HB3 PRO 16 2HB PRO 16 -15.351 1.481 -7.874 97 HG2 PRO 16 1HG PRO 16 -17.921 0.840 -6.479 98 HG3 PRO 16 2HG PRO 16 -17.393 0.395 -8.112 99 HD2 PRO 16 1HD PRO 16 -17.276 -1.325 -6.024 100 HD3 PRO 16 2HD PRO 16 -16.099 -1.355 -7.354 101 H ILE 17 H ILE 17 -13.864 2.792 -4.393 102 HA ILE 17 HA ILE 17 -15.605 2.926 -2.128 103 HB ILE 17 HB ILE 17 -13.228 4.615 -2.907 104 HG12 ILE 17 1HG1 ILE 17 -13.640 2.190 -1.194 105 HG13 ILE 17 2HG1 ILE 17 -12.384 2.510 -2.385 106 HG21 ILE 17 1HG2 ILE 17 -14.614 4.554 -0.234 107 HG22 ILE 17 2HG2 ILE 17 -13.283 5.596 -0.735 108 HG23 ILE 17 3HG2 ILE 17 -14.881 5.803 -1.451 109 HD11 ILE 17 1HD1 ILE 17 -11.505 2.503 -0.115 110 HD12 ILE 17 2HD1 ILE 17 -11.333 4.089 -0.868 111 HD13 ILE 17 3HD1 ILE 17 -12.606 3.810 0.319 112 HA PRO 18 HA PRO 18 -18.389 6.002 -3.654 113 HB2 PRO 18 1HB PRO 18 -19.506 6.681 -1.275 114 HB3 PRO 18 2HB PRO 18 -19.885 5.175 -2.120 115 HG2 PRO 18 1HG PRO 18 -18.006 5.646 0.162 116 HG3 PRO 18 2HG PRO 18 -19.164 4.325 -0.079 117 HD2 PRO 18 1HD PRO 18 -16.517 4.049 -0.576 118 HD3 PRO 18 2HD PRO 18 -17.757 3.183 -1.504 119 H GLY 19 H GLY 19 -17.997 8.057 -4.182 120 HA2 GLY 19 1HA GLY 19 -17.594 10.332 -3.775 121 HA3 GLY 19 2HA GLY 19 -16.992 9.917 -2.177 122 H THR 20 H THR 20 -15.013 8.146 -2.658 123 HA THR 20 HA THR 20 -13.042 9.822 -4.024 124 HB THR 20 HB THR 20 -11.413 8.937 -2.671 125 HG1 THR 20 1HG THR 20 -12.969 6.594 -2.785 126 HG21 THR 20 1HG2 THR 20 -12.868 10.000 -1.132 127 HG22 THR 20 2HG2 THR 20 -12.406 8.471 -0.383 128 HG23 THR 20 3HG2 THR 20 -13.989 8.640 -1.140 129 HA PRO 21 HA PRO 21 -12.647 7.118 -7.470 130 HB2 PRO 21 1HB PRO 21 -10.071 7.623 -8.162 131 HB3 PRO 21 2HB PRO 21 -11.384 8.772 -8.443 132 HG2 PRO 21 1HG PRO 21 -9.363 8.709 -6.236 133 HG3 PRO 21 2HG PRO 21 -9.955 10.094 -7.172 134 HD2 PRO 21 1HD PRO 21 -10.855 9.528 -4.682 135 HD3 PRO 21 2HD PRO 21 -11.882 10.278 -5.921 136 H TRP 22 H TRP 22 -11.104 6.608 -4.552 137 HA TRP 22 HA TRP 22 -9.307 4.518 -5.276 138 HB2 TRP 22 1HB TRP 22 -10.530 5.366 -2.653 139 HB3 TRP 22 2HB TRP 22 -9.439 3.989 -2.781 140 HD1 TRP 22 HD TRP 22 -9.480 7.787 -2.796 141 HE1 TRP 22 1HE TRP 22 -7.058 8.653 -2.723 142 HE3 TRP 22 3HE TRP 22 -7.016 3.366 -3.518 143 HZ2 TRP 22 2HZ TRP 22 -4.447 7.602 -2.943 144 HZ3 TRP 22 3HZ TRP 22 -4.556 3.383 -3.575 145 HH2 TRP 22 HH TRP 22 -3.300 5.458 -3.293 146 H CYS 23 H CYS 23 -9.534 2.259 -4.756 147 HA CYS 23 HA CYS 23 -12.310 1.315 -4.581 148 HB2 CYS 23 1HB CYS 23 -10.320 -0.036 -6.387 149 HB3 CYS 23 2HB CYS 23 -12.073 -0.186 -6.376 150 HG CYS 23 HG CYS 23 -12.632 2.084 -7.690 151 H VAL 24 H VAL 24 -12.488 0.095 -2.833 152 HA VAL 24 HA VAL 24 -10.304 -0.932 -1.380 153 HB VAL 24 HB VAL 24 -13.182 -1.834 -1.217 154 HG11 VAL 24 1HG1 VAL 24 -10.759 -2.441 0.307 155 HG12 VAL 24 2HG1 VAL 24 -12.130 -1.945 1.301 156 HG13 VAL 24 3HG1 VAL 24 -12.286 -3.318 0.204 157 HG21 VAL 24 1HG2 VAL 24 -12.355 0.009 0.834 158 HG22 VAL 24 2HG2 VAL 24 -12.146 0.724 -0.765 159 HG23 VAL 24 3HG2 VAL 24 -13.724 0.107 -0.275 160 H VAL 25 H VAL 25 -9.019 -2.535 -1.996 161 HA VAL 25 HA VAL 25 -10.200 -4.807 -3.457 162 HB VAL 25 HB VAL 25 -7.334 -3.851 -3.527 163 HG11 VAL 25 1HG1 VAL 25 -8.628 -6.317 -4.357 164 HG12 VAL 25 2HG1 VAL 25 -7.772 -5.521 -5.679 165 HG13 VAL 25 3HG1 VAL 25 -6.914 -5.938 -4.195 166 HG21 VAL 25 1HG2 VAL 25 -9.357 -2.584 -4.721 167 HG22 VAL 25 2HG2 VAL 25 -7.759 -2.727 -5.454 168 HG23 VAL 25 3HG2 VAL 25 -9.053 -3.823 -5.939 169 H TRP 26 H TRP 26 -10.232 -6.692 -2.434 170 HA TRP 26 HA TRP 26 -8.670 -6.994 0.021 171 HB2 TRP 26 1HB TRP 26 -11.045 -8.481 -1.099 172 HB3 TRP 26 2HB TRP 26 -10.147 -9.055 0.303 173 HD1 TRP 26 HD TRP 26 -10.480 -7.759 2.593 174 HE1 TRP 26 1HE TRP 26 -12.218 -6.032 3.381 175 HE3 TRP 26 3HE TRP 26 -12.473 -6.488 -1.940 176 HZ2 TRP 26 2HZ TRP 26 -14.175 -4.353 2.233 177 HZ3 TRP 26 3HZ TRP 26 -14.275 -4.814 -2.008 178 HH2 TRP 26 HH TRP 26 -15.107 -3.770 0.036 179 H THR 27 H THR 27 -7.618 -9.062 0.466 180 HA THR 27 HA THR 27 -6.650 -10.387 -1.983 181 HB THR 27 HB THR 27 -4.471 -10.727 -0.740 182 HG1 THR 27 1HG THR 27 -5.683 -8.788 0.958 183 HG21 THR 27 1HG2 THR 27 -3.565 -8.676 -1.466 184 HG22 THR 27 2HG2 THR 27 -5.076 -7.813 -1.181 185 HG23 THR 27 3HG2 THR 27 -4.953 -8.957 -2.517 186 H GLY 28 H GLY 28 -5.394 -12.496 -1.268 187 HA2 GLY 28 1HA GLY 28 -7.367 -14.158 -0.003 188 HA3 GLY 28 2HA GLY 28 -5.822 -14.684 -0.656 189 H ASP 29 H ASP 29 -4.517 -12.522 1.046 190 HA ASP 29 HA ASP 29 -4.164 -14.212 3.379 191 HB2 ASP 29 1HB ASP 29 -2.342 -12.904 1.981 192 HB3 ASP 29 2HB ASP 29 -2.773 -11.585 3.066 193 H GLU 30 H GLU 30 -6.709 -13.090 3.271 194 HA GLU 30 HA GLU 30 -8.203 -11.756 4.385 195 HB2 GLU 30 1HB GLU 30 -6.258 -12.672 6.484 196 HB3 GLU 30 2HB GLU 30 -7.632 -11.663 6.912 197 HG2 GLU 30 1HG GLU 30 -9.166 -13.323 6.063 198 HG3 GLU 30 2HG GLU 30 -7.821 -14.319 5.511 199 H ARG 31 H ARG 31 -6.268 -10.240 3.003 200 HA ARG 31 HA ARG 31 -6.006 -7.915 4.795 201 HB2 ARG 31 1HB ARG 31 -4.087 -9.110 2.860 202 HB3 ARG 31 2HB ARG 31 -4.126 -7.356 2.983 203 HG2 ARG 31 1HG ARG 31 -3.807 -7.622 5.459 204 HG3 ARG 31 2HG ARG 31 -3.520 -9.338 5.159 205 HD2 ARG 31 1HD ARG 31 -1.743 -8.562 3.492 206 HD3 ARG 31 2HD ARG 31 -1.900 -6.978 4.250 207 HE ARG 31 HE ARG 31 -0.611 -9.304 5.342 208 HH11 ARG 31 2HH1 ARG 31 -2.181 -6.286 6.083 209 HH12 ARG 31 1HH1 ARG 31 -1.396 -6.105 7.617 210 HH21 ARG 31 2HH2 ARG 31 0.428 -9.077 7.359 211 HH22 ARG 31 1HH2 ARG 31 0.089 -7.692 8.342 212 H VAL 32 H VAL 32 -5.619 -5.859 3.318 213 HA VAL 32 HA VAL 32 -7.098 -5.852 0.849 214 HB VAL 32 HB VAL 32 -8.977 -5.805 2.374 215 HG11 VAL 32 1HG1 VAL 32 -8.961 -3.454 3.740 216 HG12 VAL 32 2HG1 VAL 32 -8.512 -5.017 4.426 217 HG13 VAL 32 3HG1 VAL 32 -7.263 -3.922 3.831 218 HG21 VAL 32 1HG2 VAL 32 -9.681 -4.531 0.648 219 HG22 VAL 32 2HG2 VAL 32 -9.630 -3.243 1.852 220 HG23 VAL 32 3HG2 VAL 32 -8.285 -3.456 0.731 221 H PHE 33 H PHE 33 -6.543 -4.156 -0.420 222 HA PHE 33 HA PHE 33 -5.013 -1.968 0.819 223 HB2 PHE 33 1HB PHE 33 -3.479 -1.972 -1.080 224 HB3 PHE 33 2HB PHE 33 -3.478 -3.547 -0.293 225 HD1 PHE 33 2HD PHE 33 -4.611 -1.671 -3.249 226 HD2 PHE 33 1HD PHE 33 -4.193 -5.500 -1.438 227 HE1 PHE 33 2HE PHE 33 -5.112 -2.742 -5.406 228 HE2 PHE 33 1HE PHE 33 -4.692 -6.578 -3.593 229 HZ PHE 33 HZ PHE 33 -5.153 -5.199 -5.580 230 H PHE 34 H PHE 34 -4.879 -0.016 -0.571 231 HA PHE 34 HA PHE 34 -7.452 0.405 -1.916 232 HB2 PHE 34 1HB PHE 34 -5.509 2.547 -1.059 233 HB3 PHE 34 2HB PHE 34 -7.221 2.722 -1.435 234 HD1 PHE 34 2HD PHE 34 -4.859 1.233 1.001 235 HD2 PHE 34 1HD PHE 34 -8.839 2.536 0.237 236 HE1 PHE 34 2HE PHE 34 -5.405 0.952 3.383 237 HE2 PHE 34 1HE PHE 34 -9.390 2.258 2.619 238 HZ PHE 34 HZ PHE 34 -7.673 1.464 4.195 239 H TYR 35 H TYR 35 -7.568 0.738 -4.041 240 HA TYR 35 HA TYR 35 -5.094 1.413 -5.489 241 HB2 TYR 35 1HB TYR 35 -5.389 -0.843 -6.040 242 HB3 TYR 35 2HB TYR 35 -7.142 -0.701 -6.091 243 HD1 TYR 35 1HD TYR 35 -4.056 0.384 -7.870 244 HD2 TYR 35 2HD TYR 35 -8.232 -0.389 -8.131 245 HE1 TYR 35 1HE TYR 35 -3.953 0.684 -10.309 246 HE2 TYR 35 2HE TYR 35 -8.140 -0.092 -10.571 247 HH TYR 35 HH TYR 35 -5.122 0.214 -12.273 248 H ASN 36 H ASN 36 -5.260 2.877 -7.135 249 HA ASN 36 HA ASN 36 -7.923 4.068 -7.558 250 HB2 ASN 36 1HB ASN 36 -6.194 5.466 -6.306 251 HB3 ASN 36 2HB ASN 36 -5.306 5.546 -7.825 252 HD21 ASN 36 1HD2 ASN 36 -6.583 7.653 -6.238 253 HD22 ASN 36 2HD2 ASN 36 -7.689 8.439 -7.307 254 HA PRO 37 HA PRO 37 -6.959 2.533 -11.696 255 HB2 PRO 37 1HB PRO 37 -9.508 2.759 -12.604 256 HB3 PRO 37 2HB PRO 37 -8.954 1.395 -11.626 257 HG2 PRO 37 1HG PRO 37 -10.468 3.837 -10.786 258 HG3 PRO 37 2HG PRO 37 -10.719 2.147 -10.311 259 HD2 PRO 37 1HD PRO 37 -9.425 3.928 -8.734 260 HD3 PRO 37 2HD PRO 37 -9.016 2.200 -8.758 261 H THR 38 H THR 38 -7.746 5.555 -10.529 262 HA THR 38 HA THR 38 -8.016 6.790 -13.167 263 HB THR 38 HB THR 38 -8.073 8.192 -10.494 264 HG1 THR 38 1HG THR 38 -10.328 7.958 -10.602 265 HG21 THR 38 1HG2 THR 38 -8.930 10.028 -11.617 266 HG22 THR 38 2HG2 THR 38 -9.486 9.062 -12.984 267 HG23 THR 38 3HG2 THR 38 -7.767 9.400 -12.784 268 H THR 39 H THR 39 -5.806 6.557 -10.458 269 HA THR 39 HA THR 39 -3.840 8.131 -11.992 270 HB THR 39 HB THR 39 -2.773 8.743 -9.867 271 HG1 THR 39 1HG THR 39 -4.352 8.302 -7.981 272 HG21 THR 39 1HG2 THR 39 -4.099 10.542 -9.644 273 HG22 THR 39 2HG2 THR 39 -5.508 9.565 -9.229 274 HG23 THR 39 3HG2 THR 39 -5.070 9.809 -10.919 275 H ARG 40 H ARG 40 -4.514 5.154 -11.797 276 HA ARG 40 HA ARG 40 -3.448 3.138 -11.517 277 HB2 ARG 40 1HB ARG 40 -1.200 4.790 -12.683 278 HB3 ARG 40 2HB ARG 40 -1.306 3.035 -12.712 279 HG2 ARG 40 1HG ARG 40 -3.427 3.276 -14.023 280 HG3 ARG 40 2HG ARG 40 -3.077 5.002 -14.136 281 HD2 ARG 40 1HD ARG 40 -1.222 2.816 -15.068 282 HD3 ARG 40 2HD ARG 40 -2.339 3.690 -16.116 283 HE ARG 40 HE ARG 40 0.176 4.627 -15.107 284 HH11 ARG 40 2HH1 ARG 40 -2.971 5.593 -16.242 285 HH12 ARG 40 1HH1 ARG 40 -2.452 7.170 -16.736 286 HH21 ARG 40 2HH2 ARG 40 0.871 6.701 -15.753 287 HH22 ARG 40 1HH2 ARG 40 -0.267 7.799 -16.458 288 H LEU 41 H LEU 41 -3.429 4.623 -9.123 289 HA LEU 41 HA LEU 41 -0.750 4.129 -8.025 290 HB2 LEU 41 1HB LEU 41 -2.090 6.365 -7.798 291 HB3 LEU 41 2HB LEU 41 -2.927 5.500 -6.511 292 HG LEU 41 HG LEU 41 -1.043 6.990 -5.776 293 HD11 LEU 41 1HD1 LEU 41 -1.786 4.411 -4.919 294 HD12 LEU 41 2HD1 LEU 41 -1.062 5.708 -3.970 295 HD13 LEU 41 3HD1 LEU 41 -0.032 4.520 -4.768 296 HD21 LEU 41 1HD2 LEU 41 0.378 6.142 -7.796 297 HD22 LEU 41 2HD2 LEU 41 0.831 4.850 -6.683 298 HD23 LEU 41 3HD2 LEU 41 1.159 6.532 -6.264 299 H SER 42 H SER 42 -0.400 2.631 -6.479 300 HA SER 42 HA SER 42 -2.694 1.346 -5.193 301 HB2 SER 42 1HB SER 42 -1.864 -0.888 -5.691 302 HB3 SER 42 2HB SER 42 -2.116 -0.005 -7.197 303 HG SER 42 HG SER 42 0.408 0.126 -6.015 304 H MET 43 H MET 43 -2.311 1.732 -3.110 305 HA MET 43 HA MET 43 0.434 1.408 -2.101 306 HB2 MET 43 1HB MET 43 -1.782 2.778 -0.603 307 HB3 MET 43 2HB MET 43 -0.044 2.949 -0.392 308 HG2 MET 43 1HG MET 43 -0.212 3.845 -2.879 309 HG3 MET 43 2HG MET 43 -1.855 4.216 -2.363 310 HE1 MET 43 1HE MET 43 -1.001 6.284 0.928 311 HE2 MET 43 2HE MET 43 -1.978 4.946 0.324 312 HE3 MET 43 3HE MET 43 -0.379 4.635 1.002 313 H TRP 44 H TRP 44 0.598 0.563 0.150 314 HA TRP 44 HA TRP 44 -1.158 -1.758 0.425 315 HB2 TRP 44 1HB TRP 44 1.608 -1.089 1.293 316 HB3 TRP 44 2HB TRP 44 0.688 -2.195 2.310 317 HD1 TRP 44 HD TRP 44 2.942 -2.225 -0.565 318 HE1 TRP 44 1HE TRP 44 2.829 -4.474 -1.812 319 HE3 TRP 44 3HE TRP 44 -1.324 -4.103 1.534 320 HZ2 TRP 44 2HZ TRP 44 1.152 -6.743 -1.895 321 HZ3 TRP 44 3HZ TRP 44 -2.115 -6.319 0.816 322 HH2 TRP 44 HH TRP 44 -0.901 -7.610 -0.864 323 H ASP 45 H ASP 45 -0.767 1.330 1.712 324 HA ASP 45 HA ASP 45 -2.289 0.575 4.121 325 HB2 ASP 45 1HB ASP 45 0.076 1.469 4.484 326 HB3 ASP 45 2HB ASP 45 -0.533 3.019 3.908 327 H ARG 46 H ARG 46 -3.462 2.633 5.013 328 HA ARG 46 HA ARG 46 -5.207 3.521 2.883 329 HB2 ARG 46 1HB ARG 46 -5.986 2.754 5.176 330 HB3 ARG 46 2HB ARG 46 -5.362 4.275 5.799 331 HG2 ARG 46 1HG ARG 46 -7.240 4.386 3.506 332 HG3 ARG 46 2HG ARG 46 -7.889 3.977 5.095 333 HD2 ARG 46 1HD ARG 46 -6.084 6.339 4.749 334 HD3 ARG 46 2HD ARG 46 -7.799 6.460 4.357 335 HE ARG 46 HE ARG 46 -6.622 6.220 6.989 336 HH11 ARG 46 2HH1 ARG 46 -9.502 5.976 5.048 337 HH12 ARG 46 1HH1 ARG 46 -10.580 6.175 6.390 338 HH21 ARG 46 2HH2 ARG 46 -8.031 6.483 8.764 339 HH22 ARG 46 1HH2 ARG 46 -9.742 6.465 8.502 340 HA PRO 47 HA PRO 47 -2.737 7.243 2.430 341 HB2 PRO 47 1HB PRO 47 -4.072 8.143 0.244 342 HB3 PRO 47 2HB PRO 47 -2.838 6.879 0.164 343 HG2 PRO 47 1HG PRO 47 -5.820 6.616 0.208 344 HG3 PRO 47 2HG PRO 47 -4.636 5.753 -0.790 345 HD2 PRO 47 1HD PRO 47 -5.752 4.658 1.420 346 HD3 PRO 47 2HD PRO 47 -4.097 4.281 0.900 347 H ASP 48 H ASP 48 -3.164 9.525 2.526 348 HA ASP 48 HA ASP 48 -5.113 10.266 4.380 349 HB2 ASP 48 1HB ASP 48 -3.254 11.726 2.573 350 HB3 ASP 48 2HB ASP 48 -4.584 12.643 3.274 351 H ASP 49 H ASP 49 -5.089 10.572 0.849 352 HA ASP 49 HA ASP 49 -7.263 12.060 0.298 353 HB2 ASP 49 1HB ASP 49 -6.604 9.402 -0.991 354 HB3 ASP 49 2HB ASP 49 -7.662 10.629 -1.682 355 H LEU 50 H LEU 50 -7.274 8.975 1.874 356 HA LEU 50 HA LEU 50 -10.210 8.888 1.772 357 HB2 LEU 50 1HB LEU 50 -8.166 6.775 2.415 358 HB3 LEU 50 2HB LEU 50 -9.899 6.552 2.646 359 HG LEU 50 HG LEU 50 -8.531 7.058 0.004 360 HD11 LEU 50 1HD1 LEU 50 -8.560 4.827 -0.411 361 HD12 LEU 50 2HD1 LEU 50 -9.957 4.536 0.624 362 HD13 LEU 50 3HD1 LEU 50 -8.363 4.768 1.341 363 HD21 LEU 50 1HD2 LEU 50 -11.101 6.010 -0.351 364 HD22 LEU 50 2HD2 LEU 50 -10.545 7.641 -0.726 365 HD23 LEU 50 3HD2 LEU 50 -11.270 7.296 0.845 366 H ILE 51 H ILE 51 -7.466 9.181 3.890 367 HA ILE 51 HA ILE 51 -8.504 8.570 6.359 368 HB ILE 51 HB ILE 51 -6.614 10.791 5.593 369 HG12 ILE 51 1HG1 ILE 51 -6.190 8.062 6.832 370 HG13 ILE 51 2HG1 ILE 51 -5.801 8.521 5.177 371 HG21 ILE 51 1HG2 ILE 51 -7.740 11.347 7.700 372 HG22 ILE 51 2HG2 ILE 51 -7.256 9.786 8.362 373 HG23 ILE 51 3HG2 ILE 51 -6.031 10.984 7.944 374 HD11 ILE 51 1HD1 ILE 51 -4.476 9.407 7.715 375 HD12 ILE 51 2HD1 ILE 51 -3.771 8.554 6.341 376 HD13 ILE 51 3HD1 ILE 51 -4.242 10.246 6.182 377 H GLY 52 H GLY 52 -10.332 9.195 7.294 378 HA2 GLY 52 1HA GLY 52 -11.353 11.161 8.432 379 HA3 GLY 52 2HA GLY 52 -11.217 11.986 6.886 380 H ARG 53 H ARG 53 -12.008 9.614 5.357 381 HA ARG 53 HA ARG 53 -14.863 9.985 5.576 382 HB2 ARG 53 1HB ARG 53 -13.252 8.269 3.678 383 HB3 ARG 53 2HB ARG 53 -14.972 8.609 3.540 384 HG2 ARG 53 1HG ARG 53 -14.272 11.077 3.460 385 HG3 ARG 53 2HG ARG 53 -12.653 10.456 3.131 386 HD2 ARG 53 1HD ARG 53 -13.236 9.638 1.075 387 HD3 ARG 53 2HD ARG 53 -14.920 9.388 1.532 388 HE ARG 53 HE ARG 53 -13.750 11.785 0.435 389 HH11 ARG 53 2HH1 ARG 53 -16.409 10.422 2.221 390 HH12 ARG 53 1HH1 ARG 53 -17.500 11.711 1.835 391 HH21 ARG 53 2HH2 ARG 53 -15.177 13.488 -0.081 392 HH22 ARG 53 1HH2 ARG 53 -16.798 13.454 0.525 393 H ALA 54 H ALA 54 -16.384 8.448 6.099 394 HA ALA 54 HA ALA 54 -15.428 6.260 7.751 395 HB1 ALA 54 1HB ALA 54 -17.328 7.831 8.376 396 HB2 ALA 54 2HB ALA 54 -18.303 6.939 7.208 397 HB3 ALA 54 3HB ALA 54 -17.614 6.105 8.600 398 H ASP 55 H ASP 55 -17.187 6.741 4.737 399 HA ASP 55 HA ASP 55 -18.149 4.224 4.223 400 HB2 ASP 55 1HB ASP 55 -16.783 5.768 2.040 401 HB3 ASP 55 2HB ASP 55 -18.272 4.830 1.969 402 H VAL 56 H VAL 56 -14.926 5.436 3.288 403 HA VAL 56 HA VAL 56 -13.874 3.171 2.159 404 HB VAL 56 HB VAL 56 -12.607 5.204 2.137 405 HG11 VAL 56 1HG1 VAL 56 -11.836 6.364 3.992 406 HG12 VAL 56 2HG1 VAL 56 -13.426 5.808 4.518 407 HG13 VAL 56 3HG1 VAL 56 -11.974 4.962 5.052 408 HG21 VAL 56 1HG2 VAL 56 -10.388 4.372 3.035 409 HG22 VAL 56 2HG2 VAL 56 -11.264 2.959 3.623 410 HG23 VAL 56 3HG2 VAL 56 -11.215 3.310 1.895 411 H ASP 57 H ASP 57 -14.096 3.962 5.598 412 HA ASP 57 HA ASP 57 -12.669 1.659 6.484 413 HB2 ASP 57 1HB ASP 57 -13.226 3.921 7.715 414 HB3 ASP 57 2HB ASP 57 -14.671 3.048 8.222 415 H LYS 58 H LYS 58 -16.134 2.497 6.644 416 HA LYS 58 HA LYS 58 -17.174 0.190 7.644 417 HB2 LYS 58 1HB LYS 58 -18.544 2.137 7.109 418 HB3 LYS 58 2HB LYS 58 -18.312 1.853 5.389 419 HG2 LYS 58 1HG LYS 58 -19.392 -0.442 5.849 420 HG3 LYS 58 2HG LYS 58 -19.948 0.299 7.352 421 HD2 LYS 58 1HD LYS 58 -20.915 2.155 5.955 422 HD3 LYS 58 2HD LYS 58 -20.542 1.180 4.531 423 HE2 LYS 58 1HE LYS 58 -22.856 0.862 5.188 424 HE3 LYS 58 2HE LYS 58 -21.944 -0.629 5.419 425 HZ1 LYS 58 1HZ LYS 58 -21.976 1.053 7.745 426 HZ2 LYS 58 2HZ LYS 58 -22.324 -0.595 7.600 427 HZ3 LYS 58 3HZ LYS 58 -23.522 0.553 7.276 428 H ILE 59 H ILE 59 -16.588 0.816 4.184 429 HA ILE 59 HA ILE 59 -17.402 -1.581 3.123 430 HB ILE 59 HB ILE 59 -15.015 0.065 2.276 431 HG12 ILE 59 1HG1 ILE 59 -17.869 0.034 1.268 432 HG13 ILE 59 2HG1 ILE 59 -17.167 1.280 2.294 433 HG21 ILE 59 1HG2 ILE 59 -15.826 -2.488 1.397 434 HG22 ILE 59 2HG2 ILE 59 -16.260 -1.343 0.129 435 HG23 ILE 59 3HG2 ILE 59 -14.594 -1.437 0.699 436 HD11 ILE 59 1HD1 ILE 59 -17.163 1.097 -0.530 437 HD12 ILE 59 2HD1 ILE 59 -16.491 2.364 0.496 438 HD13 ILE 59 3HD1 ILE 59 -15.496 0.985 0.031 439 H ILE 60 H ILE 60 -14.072 -0.814 4.154 440 HA ILE 60 HA ILE 60 -12.993 -3.353 3.768 441 HB ILE 60 HB ILE 60 -12.217 -1.218 5.753 442 HG12 ILE 60 1HG1 ILE 60 -10.701 -1.987 3.281 443 HG13 ILE 60 2HG1 ILE 60 -12.093 -0.917 3.158 444 HG21 ILE 60 1HG2 ILE 60 -10.947 -3.852 5.102 445 HG22 ILE 60 2HG2 ILE 60 -9.982 -2.492 5.672 446 HG23 ILE 60 3HG2 ILE 60 -11.278 -3.136 6.680 447 HD11 ILE 60 1HD1 ILE 60 -9.728 -0.398 4.938 448 HD12 ILE 60 2HD1 ILE 60 -9.908 0.247 3.306 449 HD13 ILE 60 3HD1 ILE 60 -11.055 0.702 4.567 450 H GLN 61 H GLN 61 -14.523 -1.951 6.643 451 HA GLN 61 HA GLN 61 -14.062 -3.965 8.471 452 HB2 GLN 61 1HB GLN 61 -16.480 -2.193 8.123 453 HB3 GLN 61 2HB GLN 61 -16.244 -3.243 9.514 454 HG2 GLN 61 1HG GLN 61 -13.947 -1.979 9.665 455 HG3 GLN 61 2HG GLN 61 -14.820 -0.749 8.752 456 HE21 GLN 61 1HE2 GLN 61 -15.065 0.784 10.268 457 HE22 GLN 61 2HE2 GLN 61 -15.916 0.567 11.756 458 H GLU 62 H GLU 62 -16.882 -3.662 6.309 459 HA GLU 62 HA GLU 62 -17.301 -6.562 6.622 460 HB2 GLU 62 1HB GLU 62 -19.308 -4.343 6.233 461 HB3 GLU 62 2HB GLU 62 -19.708 -6.041 6.017 462 HG2 GLU 62 1HG GLU 62 -20.351 -5.802 8.170 463 HG3 GLU 62 2HG GLU 62 -18.659 -6.214 8.441 464 HA PRO 63 HA PRO 63 -16.171 -6.041 2.228 465 HB2 PRO 63 1HB PRO 63 -15.167 -8.551 1.980 466 HB3 PRO 63 2HB PRO 63 -14.230 -7.203 2.635 467 HG2 PRO 63 1HG PRO 63 -15.684 -9.381 4.086 468 HG3 PRO 63 2HG PRO 63 -14.078 -8.701 4.407 469 HD2 PRO 63 1HD PRO 63 -16.271 -7.994 5.830 470 HD3 PRO 63 2HD PRO 63 -14.937 -6.867 5.509 471 HA PRO 64 HA PRO 64 -19.767 -7.959 0.544 472 HB2 PRO 64 1HB PRO 64 -19.029 -8.067 -2.066 473 HB3 PRO 64 2HB PRO 64 -19.488 -6.563 -1.259 474 HG2 PRO 64 1HG PRO 64 -16.758 -7.644 -1.839 475 HG3 PRO 64 2HG PRO 64 -17.365 -5.987 -2.013 476 HD2 PRO 64 1HD PRO 64 -15.869 -6.776 0.101 477 HD3 PRO 64 2HD PRO 64 -17.126 -5.530 0.234 478 H HIS 65 H HIS 65 -16.589 -9.325 -0.041 479 HA HIS 65 HA HIS 65 -17.501 -11.777 -1.168 480 HB2 HIS 65 1HB HIS 65 -15.269 -12.439 -1.184 481 HB3 HIS 65 2HB HIS 65 -15.140 -10.684 -1.265 482 HD1 HIS 65 1HD HIS 65 -14.068 -9.486 0.717 483 HD2 HIS 65 2HD HIS 65 -14.470 -13.583 1.279 484 HE1 HIS 65 1HE HIS 65 -12.709 -10.021 2.765 485 H LYS 66 H LYS 66 -17.835 -10.555 1.880 486 HA LYS 66 HA LYS 66 -17.700 -13.192 3.171 487 HB2 LYS 66 1HB LYS 66 -17.428 -10.394 4.151 488 HB3 LYS 66 2HB LYS 66 -18.131 -11.575 5.249 489 HG2 LYS 66 1HG LYS 66 -15.598 -12.284 3.871 490 HG3 LYS 66 2HG LYS 66 -15.539 -11.105 5.184 491 HD2 LYS 66 1HD LYS 66 -15.243 -13.050 6.362 492 HD3 LYS 66 2HD LYS 66 -17.002 -12.907 6.426 493 HE2 LYS 66 1HE LYS 66 -17.258 -14.477 4.639 494 HE3 LYS 66 2HE LYS 66 -15.522 -14.495 4.336 495 HZ1 LYS 66 1HZ LYS 66 -15.516 -15.245 6.853 496 HZ2 LYS 66 2HZ LYS 66 -15.696 -16.356 5.591 497 HZ3 LYS 66 3HZ LYS 66 -17.055 -15.815 6.440 498 H LYS 67 H LYS 67 -19.782 -13.156 1.575 499 HA LYS 67 HA LYS 67 -22.058 -12.828 3.399 500 HB2 LYS 67 1HB LYS 67 -21.719 -11.657 0.682 501 HB3 LYS 67 2HB LYS 67 -23.311 -12.266 1.115 502 HG2 LYS 67 1HG LYS 67 -23.500 -10.089 1.771 503 HG3 LYS 67 2HG LYS 67 -22.933 -10.826 3.272 504 HD2 LYS 67 1HD LYS 67 -20.750 -10.019 2.972 505 HD3 LYS 67 2HD LYS 67 -21.024 -9.665 1.264 506 HE2 LYS 67 1HE LYS 67 -22.376 -8.250 3.559 507 HE3 LYS 67 2HE LYS 67 -20.967 -7.641 2.692 508 HZ1 LYS 67 1HZ LYS 67 -22.655 -8.139 0.680 509 HZ2 LYS 67 2HZ LYS 67 -22.509 -6.634 1.438 510 HZ3 LYS 67 3HZ LYS 67 -23.748 -7.693 1.892 511 H SER 68 H SER 68 -23.334 -14.569 3.499 512 HA SER 68 HA SER 68 -23.088 -16.590 1.368 513 HB2 SER 68 1HB SER 68 -21.964 -17.305 3.455 514 HB3 SER 68 2HB SER 68 -23.485 -17.109 4.325 515 HG SER 68 HG SER 68 -22.647 -19.230 3.006 516 H GLY 69 H GLY 69 -24.925 -16.319 0.229 517 HA2 GLY 69 1HA GLY 69 -27.427 -16.951 1.554 518 HA3 GLY 69 2HA GLY 69 -27.340 -15.336 0.868 519 HA PRO 70 HA PRO 70 -29.015 -18.105 -2.415 520 HB2 PRO 70 1HB PRO 70 -30.850 -16.310 -3.298 521 HB3 PRO 70 2HB PRO 70 -31.156 -17.413 -1.950 522 HG2 PRO 70 1HG PRO 70 -30.351 -14.530 -1.894 523 HG3 PRO 70 2HG PRO 70 -31.557 -15.374 -0.906 524 HD2 PRO 70 1HD PRO 70 -29.073 -14.797 0.004 525 HD3 PRO 70 2HD PRO 70 -29.966 -16.243 0.518 526 H SER 71 H SER 71 -27.642 -14.941 -2.306 527 HA SER 71 HA SER 71 -27.569 -14.449 -5.111 528 HB2 SER 71 1HB SER 71 -25.794 -13.292 -2.948 529 HB3 SER 71 2HB SER 71 -26.046 -12.629 -4.563 530 HG SER 71 HG SER 71 -27.711 -12.582 -2.334 531 H SER 72 H SER 72 -26.686 -16.142 -6.227 532 HA SER 72 HA SER 72 -23.841 -16.697 -5.692 533 HB2 SER 72 1HB SER 72 -24.306 -18.988 -6.686 534 HB3 SER 72 2HB SER 72 -25.015 -18.688 -5.099 535 HG SER 72 HG SER 72 -26.593 -18.010 -7.268 536 H GLY 73 H GLY 73 -22.601 -15.932 -7.263 537 HA2 GLY 73 1HA GLY 73 -21.788 -15.562 -9.390 538 HA3 GLY 73 2HA GLY 73 -23.119 -16.525 -10.014 Start of MODEL 4 1 H1 GLY 1 H GLY 1 7.399 -3.726 -16.039 2 HA2 GLY 1 1HA GLY 1 4.570 -3.654 -15.933 3 HA3 GLY 1 2HA GLY 1 5.089 -4.372 -17.451 4 H SER 2 H SER 2 4.383 -6.433 -17.052 5 HA SER 2 HA SER 2 5.468 -7.793 -14.685 6 HB2 SER 2 1HB SER 2 3.162 -8.476 -16.515 7 HB3 SER 2 2HB SER 2 3.777 -9.580 -15.285 8 HG SER 2 HG SER 2 2.680 -8.501 -13.869 9 H SER 3 H SER 3 7.401 -8.649 -15.123 10 HA SER 3 HA SER 3 8.509 -9.295 -17.539 11 HB2 SER 3 1HB SER 3 9.631 -9.299 -15.257 12 HB3 SER 3 2HB SER 3 9.000 -10.932 -15.047 13 HG SER 3 HG SER 3 10.454 -10.281 -17.362 14 H GLY 4 H GLY 4 6.762 -11.534 -15.382 15 HA2 GLY 4 1HA GLY 4 6.571 -13.430 -17.627 16 HA3 GLY 4 2HA GLY 4 6.376 -13.841 -15.930 17 H SER 5 H SER 5 4.371 -14.702 -15.912 18 HA SER 5 HA SER 5 2.188 -13.191 -17.157 19 HB2 SER 5 1HB SER 5 2.573 -16.050 -16.383 20 HB3 SER 5 2HB SER 5 0.932 -15.404 -16.407 21 HG SER 5 HG SER 5 2.761 -15.702 -18.522 22 H SER 6 H SER 6 2.895 -14.904 -14.112 23 HA SER 6 HA SER 6 1.164 -12.959 -12.733 24 HB2 SER 6 1HB SER 6 1.431 -15.914 -12.127 25 HB3 SER 6 2HB SER 6 0.503 -14.760 -11.170 26 HG SER 6 HG SER 6 -0.055 -15.874 -13.657 27 H GLY 7 H GLY 7 2.266 -11.767 -11.335 28 HA2 GLY 7 1HA GLY 7 4.611 -12.984 -10.009 29 HA3 GLY 7 2HA GLY 7 4.618 -11.326 -10.592 30 H LYS 8 H LYS 8 2.391 -10.205 -9.740 31 HA LYS 8 HA LYS 8 2.726 -10.209 -6.851 32 HB2 LYS 8 1HB LYS 8 1.313 -8.384 -8.785 33 HB3 LYS 8 2HB LYS 8 1.096 -8.231 -7.047 34 HG2 LYS 8 1HG LYS 8 2.763 -6.699 -7.491 35 HG3 LYS 8 2HG LYS 8 3.675 -8.117 -6.969 36 HD2 LYS 8 1HD LYS 8 4.771 -7.285 -8.900 37 HD3 LYS 8 2HD LYS 8 3.890 -8.728 -9.409 38 HE2 LYS 8 1HE LYS 8 2.234 -7.470 -10.491 39 HE3 LYS 8 2HE LYS 8 2.695 -5.986 -9.658 40 HZ1 LYS 8 1HZ LYS 8 3.749 -7.132 -12.074 41 HZ2 LYS 8 2HZ LYS 8 4.954 -6.674 -10.979 42 HZ3 LYS 8 3HZ LYS 8 3.820 -5.537 -11.514 43 H ALA 9 H ALA 9 1.364 -11.133 -5.463 44 HA ALA 9 HA ALA 9 -0.576 -12.937 -6.077 45 HB1 ALA 9 1HB ALA 9 0.180 -11.444 -3.703 46 HB2 ALA 9 2HB ALA 9 -1.535 -11.859 -3.725 47 HB3 ALA 9 3HB ALA 9 -0.319 -13.128 -3.871 48 H LYS 10 H LYS 10 -2.367 -12.760 -7.238 49 HA LYS 10 HA LYS 10 -3.627 -10.298 -7.833 50 HB2 LYS 10 1HB LYS 10 -4.663 -13.120 -8.161 51 HB3 LYS 10 2HB LYS 10 -5.366 -11.688 -8.901 52 HG2 LYS 10 1HG LYS 10 -2.495 -12.258 -9.405 53 HG3 LYS 10 2HG LYS 10 -3.706 -13.258 -10.212 54 HD2 LYS 10 1HD LYS 10 -4.792 -11.130 -10.995 55 HD3 LYS 10 2HD LYS 10 -3.386 -10.265 -10.369 56 HE2 LYS 10 1HE LYS 10 -1.949 -11.228 -11.933 57 HE3 LYS 10 2HE LYS 10 -3.065 -12.547 -12.285 58 HZ1 LYS 10 1HZ LYS 10 -4.125 -9.934 -12.867 59 HZ2 LYS 10 2HZ LYS 10 -4.126 -11.336 -13.812 60 HZ3 LYS 10 3HZ LYS 10 -2.765 -10.332 -13.791 61 HA PRO 11 HA PRO 11 -6.286 -9.751 -4.368 62 HB2 PRO 11 1HB PRO 11 -8.197 -8.211 -5.527 63 HB3 PRO 11 2HB PRO 11 -6.586 -7.603 -5.126 64 HG2 PRO 11 1HG PRO 11 -7.656 -8.543 -7.759 65 HG3 PRO 11 2HG PRO 11 -6.643 -7.132 -7.403 66 HD2 PRO 11 1HD PRO 11 -5.631 -9.437 -8.401 67 HD3 PRO 11 2HD PRO 11 -4.712 -8.386 -7.305 68 H VAL 12 H VAL 12 -8.334 -10.347 -3.539 69 HA VAL 12 HA VAL 12 -9.585 -12.529 -5.013 70 HB VAL 12 HB VAL 12 -10.781 -12.993 -2.898 71 HG11 VAL 12 1HG1 VAL 12 -9.056 -14.269 -2.314 72 HG12 VAL 12 2HG1 VAL 12 -8.079 -13.373 -3.479 73 HG13 VAL 12 3HG1 VAL 12 -8.122 -12.868 -1.790 74 HG21 VAL 12 1HG2 VAL 12 -11.073 -11.239 -1.538 75 HG22 VAL 12 2HG2 VAL 12 -9.440 -11.582 -0.967 76 HG23 VAL 12 3HG2 VAL 12 -9.699 -10.367 -2.219 77 H ALA 13 H ALA 13 -10.345 -9.348 -3.732 78 HA ALA 13 HA ALA 13 -12.720 -9.259 -5.411 79 HB1 ALA 13 1HB ALA 13 -12.788 -9.307 -2.451 80 HB2 ALA 13 2HB ALA 13 -13.860 -8.167 -3.265 81 HB3 ALA 13 3HB ALA 13 -13.969 -9.890 -3.624 82 H THR 14 H THR 14 -13.567 -7.090 -5.675 83 HA THR 14 HA THR 14 -11.898 -4.902 -4.719 84 HB THR 14 HB THR 14 -12.361 -5.324 -7.678 85 HG1 THR 14 1HG THR 14 -9.907 -5.426 -7.481 86 HG21 THR 14 1HG2 THR 14 -11.529 -3.045 -6.071 87 HG22 THR 14 2HG2 THR 14 -12.016 -3.114 -7.764 88 HG23 THR 14 3HG2 THR 14 -10.348 -3.463 -7.311 89 H ALA 15 H ALA 15 -13.025 -3.063 -4.403 90 HA ALA 15 HA ALA 15 -15.591 -2.686 -5.744 91 HB1 ALA 15 1HB ALA 15 -16.644 -2.103 -3.521 92 HB2 ALA 15 2HB ALA 15 -16.334 -3.816 -3.806 93 HB3 ALA 15 3HB ALA 15 -15.258 -2.887 -2.762 94 HA PRO 16 HA PRO 16 -13.953 1.426 -5.901 95 HB2 PRO 16 1HB PRO 16 -16.167 2.628 -6.912 96 HB3 PRO 16 2HB PRO 16 -15.087 1.626 -7.889 97 HG2 PRO 16 1HG PRO 16 -17.702 0.911 -6.620 98 HG3 PRO 16 2HG PRO 16 -17.099 0.514 -8.239 99 HD2 PRO 16 1HD PRO 16 -17.040 -1.254 -6.189 100 HD3 PRO 16 2HD PRO 16 -15.809 -1.233 -7.468 101 H ILE 17 H ILE 17 -13.769 2.875 -4.318 102 HA ILE 17 HA ILE 17 -15.659 2.944 -2.155 103 HB ILE 17 HB ILE 17 -13.212 4.638 -2.670 104 HG12 ILE 17 1HG1 ILE 17 -13.709 2.067 -1.213 105 HG13 ILE 17 2HG1 ILE 17 -12.393 2.492 -2.302 106 HG21 ILE 17 1HG2 ILE 17 -14.666 4.324 -0.058 107 HG22 ILE 17 2HG2 ILE 17 -13.397 5.475 -0.473 108 HG23 ILE 17 3HG2 ILE 17 -15.003 5.640 -1.183 109 HD11 ILE 17 1HD1 ILE 17 -12.758 3.540 0.495 110 HD12 ILE 17 2HD1 ILE 17 -11.634 2.274 0.001 111 HD13 ILE 17 3HD1 ILE 17 -11.425 3.921 -0.594 112 HA PRO 18 HA PRO 18 -18.226 6.179 -3.719 113 HB2 PRO 18 1HB PRO 18 -19.421 6.868 -1.381 114 HB3 PRO 18 2HB PRO 18 -19.824 5.392 -2.267 115 HG2 PRO 18 1HG PRO 18 -18.032 5.748 0.104 116 HG3 PRO 18 2HG PRO 18 -19.232 4.481 -0.211 117 HD2 PRO 18 1HD PRO 18 -16.578 4.101 -0.594 118 HD3 PRO 18 2HD PRO 18 -17.811 3.303 -1.592 119 H GLY 19 H GLY 19 -17.813 8.257 -4.153 120 HA2 GLY 19 1HA GLY 19 -17.338 10.501 -3.657 121 HA3 GLY 19 2HA GLY 19 -16.745 10.004 -2.079 122 H THR 20 H THR 20 -14.801 8.249 -2.560 123 HA THR 20 HA THR 20 -12.807 9.882 -3.945 124 HB THR 20 HB THR 20 -11.193 9.000 -2.577 125 HG1 THR 20 1HG THR 20 -12.743 6.666 -2.732 126 HG21 THR 20 1HG2 THR 20 -12.666 10.083 -1.057 127 HG22 THR 20 2HG2 THR 20 -12.176 8.574 -0.288 128 HG23 THR 20 3HG2 THR 20 -13.767 8.706 -1.038 129 HA PRO 21 HA PRO 21 -12.434 7.132 -7.355 130 HB2 PRO 21 1HB PRO 21 -9.838 7.561 -8.025 131 HB3 PRO 21 2HB PRO 21 -11.117 8.742 -8.331 132 HG2 PRO 21 1HG PRO 21 -9.121 8.647 -6.102 133 HG3 PRO 21 2HG PRO 21 -9.665 10.038 -7.058 134 HD2 PRO 21 1HD PRO 21 -10.605 9.521 -4.572 135 HD3 PRO 21 2HD PRO 21 -11.599 10.285 -5.829 136 H TRP 22 H TRP 22 -10.865 6.641 -4.426 137 HA TRP 22 HA TRP 22 -9.145 4.484 -5.113 138 HB2 TRP 22 1HB TRP 22 -10.368 5.358 -2.494 139 HB3 TRP 22 2HB TRP 22 -9.256 3.998 -2.627 140 HD1 TRP 22 HD TRP 22 -9.353 7.781 -2.559 141 HE1 TRP 22 1HE TRP 22 -6.945 8.690 -2.527 142 HE3 TRP 22 3HE TRP 22 -6.830 3.432 -3.487 143 HZ2 TRP 22 2HZ TRP 22 -4.324 7.696 -2.853 144 HZ3 TRP 22 3HZ TRP 22 -4.374 3.497 -3.612 145 HH2 TRP 22 HH TRP 22 -3.148 5.586 -3.302 146 H CYS 23 H CYS 23 -9.434 2.246 -4.691 147 HA CYS 23 HA CYS 23 -12.229 1.368 -4.441 148 HB2 CYS 23 1HB CYS 23 -10.255 0.104 -6.345 149 HB3 CYS 23 2HB CYS 23 -11.978 -0.224 -6.211 150 HG CYS 23 HG CYS 23 -11.947 1.129 -8.510 151 H VAL 24 H VAL 24 -12.453 0.035 -2.783 152 HA VAL 24 HA VAL 24 -10.269 -1.011 -1.327 153 HB VAL 24 HB VAL 24 -13.119 -1.991 -1.179 154 HG11 VAL 24 1HG1 VAL 24 -10.691 -2.446 0.359 155 HG12 VAL 24 2HG1 VAL 24 -12.044 -1.908 1.356 156 HG13 VAL 24 3HG1 VAL 24 -12.208 -3.345 0.345 157 HG21 VAL 24 1HG2 VAL 24 -13.794 -0.100 -0.196 158 HG22 VAL 24 2HG2 VAL 24 -12.321 0.031 0.764 159 HG23 VAL 24 3HG2 VAL 24 -12.350 0.633 -0.894 160 H VAL 25 H VAL 25 -9.016 -2.662 -1.863 161 HA VAL 25 HA VAL 25 -10.189 -4.882 -3.409 162 HB VAL 25 HB VAL 25 -7.312 -3.965 -3.470 163 HG11 VAL 25 1HG1 VAL 25 -7.543 -6.346 -3.868 164 HG12 VAL 25 2HG1 VAL 25 -8.782 -6.044 -5.088 165 HG13 VAL 25 3HG1 VAL 25 -7.121 -5.520 -5.368 166 HG21 VAL 25 1HG2 VAL 25 -7.812 -3.200 -5.754 167 HG22 VAL 25 2HG2 VAL 25 -9.513 -3.593 -5.501 168 HG23 VAL 25 3HG2 VAL 25 -8.749 -2.326 -4.541 169 H TRP 26 H TRP 26 -10.125 -6.833 -2.501 170 HA TRP 26 HA TRP 26 -8.614 -7.154 -0.013 171 HB2 TRP 26 1HB TRP 26 -10.928 -8.674 -1.212 172 HB3 TRP 26 2HB TRP 26 -10.040 -9.256 0.193 173 HD1 TRP 26 HD TRP 26 -10.583 -8.164 2.511 174 HE1 TRP 26 1HE TRP 26 -12.331 -6.450 3.302 175 HE3 TRP 26 3HE TRP 26 -12.214 -6.508 -2.042 176 HZ2 TRP 26 2HZ TRP 26 -14.161 -4.635 2.150 177 HZ3 TRP 26 3HZ TRP 26 -13.967 -4.781 -2.110 178 HH2 TRP 26 HH TRP 26 -14.919 -3.866 -0.057 179 H THR 27 H THR 27 -7.637 -9.324 0.387 180 HA THR 27 HA THR 27 -6.618 -10.579 -2.067 181 HB THR 27 HB THR 27 -4.372 -10.784 -0.931 182 HG1 THR 27 1HG THR 27 -4.088 -9.869 0.964 183 HG21 THR 27 1HG2 THR 27 -5.032 -7.888 -1.322 184 HG22 THR 27 2HG2 THR 27 -5.123 -9.011 -2.679 185 HG23 THR 27 3HG2 THR 27 -3.599 -8.785 -1.823 186 H GLY 28 H GLY 28 -5.277 -12.624 -1.389 187 HA2 GLY 28 1HA GLY 28 -7.101 -14.275 0.128 188 HA3 GLY 28 2HA GLY 28 -5.669 -14.817 -0.733 189 H ASP 29 H ASP 29 -4.453 -12.384 0.935 190 HA ASP 29 HA ASP 29 -3.616 -14.126 3.132 191 HB2 ASP 29 1HB ASP 29 -2.040 -12.760 1.525 192 HB3 ASP 29 2HB ASP 29 -2.408 -11.435 2.627 193 H GLU 30 H GLU 30 -6.227 -12.968 3.218 194 HA GLU 30 HA GLU 30 -7.615 -11.721 4.537 195 HB2 GLU 30 1HB GLU 30 -5.444 -12.321 6.554 196 HB3 GLU 30 2HB GLU 30 -7.078 -11.798 6.940 197 HG2 GLU 30 1HG GLU 30 -7.988 -13.831 6.000 198 HG3 GLU 30 2HG GLU 30 -6.378 -14.348 5.504 199 H ARG 31 H ARG 31 -6.021 -10.103 2.967 200 HA ARG 31 HA ARG 31 -5.671 -7.779 4.730 201 HB2 ARG 31 1HB ARG 31 -3.777 -8.767 2.605 202 HB3 ARG 31 2HB ARG 31 -3.760 -7.103 3.172 203 HG2 ARG 31 1HG ARG 31 -3.616 -9.265 5.200 204 HG3 ARG 31 2HG ARG 31 -2.189 -8.948 4.210 205 HD2 ARG 31 1HD ARG 31 -1.932 -6.801 5.038 206 HD3 ARG 31 2HD ARG 31 -3.619 -6.685 5.538 207 HE ARG 31 HE ARG 31 -2.300 -8.702 7.012 208 HH11 ARG 31 2HH1 ARG 31 -2.519 -5.241 6.710 209 HH12 ARG 31 1HH1 ARG 31 -2.095 -4.939 8.362 210 HH21 ARG 31 2HH2 ARG 31 -1.740 -8.318 9.189 211 HH22 ARG 31 1HH2 ARG 31 -1.651 -6.690 9.771 212 H VAL 32 H VAL 32 -5.716 -5.701 3.524 213 HA VAL 32 HA VAL 32 -7.056 -5.785 0.938 214 HB VAL 32 HB VAL 32 -8.942 -5.857 2.445 215 HG11 VAL 32 1HG1 VAL 32 -9.078 -3.558 3.870 216 HG12 VAL 32 2HG1 VAL 32 -8.501 -5.096 4.517 217 HG13 VAL 32 3HG1 VAL 32 -7.348 -3.891 3.941 218 HG21 VAL 32 1HG2 VAL 32 -8.430 -3.209 1.124 219 HG22 VAL 32 2HG2 VAL 32 -9.408 -4.558 0.546 220 HG23 VAL 32 3HG2 VAL 32 -9.968 -3.580 1.903 221 H PHE 33 H PHE 33 -6.715 -3.984 -0.299 222 HA PHE 33 HA PHE 33 -5.294 -1.732 0.944 223 HB2 PHE 33 1HB PHE 33 -3.786 -1.621 -1.003 224 HB3 PHE 33 2HB PHE 33 -3.617 -3.143 -0.134 225 HD1 PHE 33 2HD PHE 33 -4.855 -1.548 -3.195 226 HD2 PHE 33 1HD PHE 33 -4.234 -5.224 -1.142 227 HE1 PHE 33 2HE PHE 33 -5.254 -2.780 -5.287 228 HE2 PHE 33 1HE PHE 33 -4.631 -6.462 -3.231 229 HZ PHE 33 HZ PHE 33 -5.143 -5.240 -5.307 230 H PHE 34 H PHE 34 -5.106 0.119 -0.758 231 HA PHE 34 HA PHE 34 -7.768 0.428 -1.975 232 HB2 PHE 34 1HB PHE 34 -5.851 2.589 -1.076 233 HB3 PHE 34 2HB PHE 34 -7.481 2.834 -1.694 234 HD1 PHE 34 1HD PHE 34 -9.402 1.756 -0.369 235 HD2 PHE 34 2HD PHE 34 -5.490 2.348 1.198 236 HE1 PHE 34 1HE PHE 34 -10.296 1.588 1.917 237 HE2 PHE 34 2HE PHE 34 -6.377 2.180 3.486 238 HZ PHE 34 HZ PHE 34 -8.783 1.799 3.848 239 H TYR 35 H TYR 35 -7.864 0.431 -4.113 240 HA TYR 35 HA TYR 35 -5.411 0.983 -5.635 241 HB2 TYR 35 1HB TYR 35 -6.296 -1.218 -6.070 242 HB3 TYR 35 2HB TYR 35 -7.901 -0.564 -6.373 243 HD1 TYR 35 1HD TYR 35 -4.408 -0.103 -7.634 244 HD2 TYR 35 2HD TYR 35 -8.548 -0.384 -8.575 245 HE1 TYR 35 1HE TYR 35 -3.871 0.088 -10.027 246 HE2 TYR 35 2HE TYR 35 -8.023 -0.195 -10.970 247 HH TYR 35 HH TYR 35 -5.819 0.954 -12.285 248 H ASN 36 H ASN 36 -5.537 2.244 -7.563 249 HA ASN 36 HA ASN 36 -7.892 3.995 -7.747 250 HB2 ASN 36 1HB ASN 36 -5.956 5.084 -6.532 251 HB3 ASN 36 2HB ASN 36 -5.054 4.985 -8.041 252 HD21 ASN 36 1HD2 ASN 36 -6.375 7.167 -6.279 253 HD22 ASN 36 2HD2 ASN 36 -7.139 8.186 -7.447 254 HA PRO 37 HA PRO 37 -7.233 2.318 -11.914 255 HB2 PRO 37 1HB PRO 37 -9.794 2.738 -12.710 256 HB3 PRO 37 2HB PRO 37 -9.301 1.331 -11.761 257 HG2 PRO 37 1HG PRO 37 -10.592 3.874 -10.849 258 HG3 PRO 37 2HG PRO 37 -10.947 2.204 -10.369 259 HD2 PRO 37 1HD PRO 37 -9.458 3.874 -8.844 260 HD3 PRO 37 2HD PRO 37 -9.180 2.121 -8.891 261 H THR 38 H THR 38 -7.762 5.385 -10.706 262 HA THR 38 HA THR 38 -8.031 6.647 -13.332 263 HB THR 38 HB THR 38 -7.994 7.943 -10.599 264 HG1 THR 38 1HG THR 38 -10.187 7.301 -12.309 265 HG21 THR 38 1HG2 THR 38 -9.327 9.630 -12.268 266 HG22 THR 38 2HG2 THR 38 -8.101 8.971 -13.351 267 HG23 THR 38 3HG2 THR 38 -7.619 9.775 -11.858 268 H THR 39 H THR 39 -5.783 6.330 -10.648 269 HA THR 39 HA THR 39 -3.742 7.699 -12.277 270 HB THR 39 HB THR 39 -2.644 8.457 -10.271 271 HG1 THR 39 1HG THR 39 -4.709 7.527 -8.613 272 HG21 THR 39 1HG2 THR 39 -4.741 9.653 -11.209 273 HG22 THR 39 2HG2 THR 39 -4.132 10.130 -9.624 274 HG23 THR 39 3HG2 THR 39 -5.533 9.067 -9.747 275 H ARG 40 H ARG 40 -4.658 4.767 -11.723 276 HA ARG 40 HA ARG 40 -3.705 2.714 -11.381 277 HB2 ARG 40 1HB ARG 40 -1.418 4.152 -12.739 278 HB3 ARG 40 2HB ARG 40 -1.559 2.406 -12.579 279 HG2 ARG 40 1HG ARG 40 -3.799 2.680 -13.805 280 HG3 ARG 40 2HG ARG 40 -3.193 4.278 -14.245 281 HD2 ARG 40 1HD ARG 40 -1.106 3.070 -15.076 282 HD3 ARG 40 2HD ARG 40 -2.050 1.587 -14.937 283 HE ARG 40 HE ARG 40 -3.289 2.226 -16.775 284 HH11 ARG 40 2HH1 ARG 40 -1.253 4.849 -15.731 285 HH12 ARG 40 1HH1 ARG 40 -1.531 5.803 -17.150 286 HH21 ARG 40 2HH2 ARG 40 -3.663 3.472 -18.649 287 HH22 ARG 40 1HH2 ARG 40 -2.903 5.019 -18.809 288 H LEU 41 H LEU 41 -3.497 4.433 -9.123 289 HA LEU 41 HA LEU 41 -0.854 3.755 -8.029 290 HB2 LEU 41 1HB LEU 41 -1.904 6.145 -8.016 291 HB3 LEU 41 2HB LEU 41 -2.820 5.527 -6.643 292 HG LEU 41 HG LEU 41 -0.843 6.803 -5.949 293 HD11 LEU 41 1HD1 LEU 41 -1.780 4.749 -4.716 294 HD12 LEU 41 2HD1 LEU 41 -0.189 5.354 -4.254 295 HD13 LEU 41 3HD1 LEU 41 -0.325 3.929 -5.284 296 HD21 LEU 41 1HD2 LEU 41 0.461 5.955 -8.037 297 HD22 LEU 41 2HD2 LEU 41 0.914 4.617 -6.980 298 HD23 LEU 41 3HD2 LEU 41 1.325 6.274 -6.532 299 H SER 42 H SER 42 -0.651 2.259 -6.488 300 HA SER 42 HA SER 42 -3.050 1.413 -5.013 301 HB2 SER 42 1HB SER 42 -2.479 -0.919 -5.288 302 HB3 SER 42 2HB SER 42 -2.554 -0.176 -6.886 303 HG SER 42 HG SER 42 -0.467 -1.372 -5.643 304 H MET 43 H MET 43 -2.685 1.809 -2.940 305 HA MET 43 HA MET 43 0.040 1.431 -1.890 306 HB2 MET 43 1HB MET 43 -2.155 3.128 -0.697 307 HB3 MET 43 2HB MET 43 -0.475 3.058 -0.183 308 HG2 MET 43 1HG MET 43 -0.069 3.795 -2.695 309 HG3 MET 43 2HG MET 43 -1.699 4.435 -2.501 310 HE1 MET 43 1HE MET 43 -1.862 5.030 0.418 311 HE2 MET 43 2HE MET 43 -0.268 4.616 1.050 312 HE3 MET 43 3HE MET 43 -0.807 6.296 1.045 313 H TRP 44 H TRP 44 0.379 0.055 -0.231 314 HA TRP 44 HA TRP 44 -1.685 -1.805 0.441 315 HB2 TRP 44 1HB TRP 44 1.203 -1.479 1.075 316 HB3 TRP 44 2HB TRP 44 0.240 -2.450 2.186 317 HD1 TRP 44 HD TRP 44 2.048 -2.656 -1.056 318 HE1 TRP 44 1HE TRP 44 1.625 -4.940 -2.166 319 HE3 TRP 44 3HE TRP 44 -1.801 -4.288 1.886 320 HZ2 TRP 44 2HZ TRP 44 -0.111 -7.141 -1.838 321 HZ3 TRP 44 3HZ TRP 44 -2.788 -6.493 1.421 322 HH2 TRP 44 HH TRP 44 -1.959 -7.889 -0.403 323 H ASP 45 H ASP 45 -0.925 1.236 1.594 324 HA ASP 45 HA ASP 45 -2.157 0.662 4.210 325 HB2 ASP 45 1HB ASP 45 -1.066 3.058 4.660 326 HB3 ASP 45 2HB ASP 45 -0.166 1.561 4.883 327 H ARG 46 H ARG 46 -3.045 2.968 5.075 328 HA ARG 46 HA ARG 46 -5.086 3.701 3.113 329 HB2 ARG 46 1HB ARG 46 -5.559 2.946 5.550 330 HB3 ARG 46 2HB ARG 46 -5.068 4.578 5.986 331 HG2 ARG 46 1HG ARG 46 -7.094 4.308 3.846 332 HG3 ARG 46 2HG ARG 46 -7.593 3.917 5.493 333 HD2 ARG 46 1HD ARG 46 -6.071 6.431 5.034 334 HD3 ARG 46 2HD ARG 46 -7.761 6.375 4.537 335 HE ARG 46 HE ARG 46 -6.777 6.573 7.194 336 HH11 ARG 46 2HH1 ARG 46 -9.342 5.200 5.282 337 HH12 ARG 46 1HH1 ARG 46 -10.479 5.175 6.589 338 HH21 ARG 46 2HH2 ARG 46 -8.265 6.545 8.922 339 HH22 ARG 46 1HH2 ARG 46 -9.866 5.941 8.659 340 HA PRO 47 HA PRO 47 -2.633 7.423 2.483 341 HB2 PRO 47 1HB PRO 47 -4.048 8.258 0.322 342 HB3 PRO 47 2HB PRO 47 -2.801 7.008 0.230 343 HG2 PRO 47 1HG PRO 47 -5.776 6.709 0.373 344 HG3 PRO 47 2HG PRO 47 -4.612 5.840 -0.643 345 HD2 PRO 47 1HD PRO 47 -5.644 4.779 1.624 346 HD3 PRO 47 2HD PRO 47 -4.002 4.411 1.059 347 H ASP 48 H ASP 48 -3.073 9.691 2.582 348 HA ASP 48 HA ASP 48 -4.996 10.440 4.461 349 HB2 ASP 48 1HB ASP 48 -2.827 11.654 3.551 350 HB3 ASP 48 2HB ASP 48 -3.990 12.459 2.502 351 H ASP 49 H ASP 49 -5.045 10.640 0.930 352 HA ASP 49 HA ASP 49 -7.245 12.137 0.414 353 HB2 ASP 49 1HB ASP 49 -6.087 9.723 -0.883 354 HB3 ASP 49 2HB ASP 49 -7.693 10.227 -1.402 355 H LEU 50 H LEU 50 -7.172 9.107 2.054 356 HA LEU 50 HA LEU 50 -10.106 8.930 1.952 357 HB2 LEU 50 1HB LEU 50 -8.012 6.870 2.615 358 HB3 LEU 50 2HB LEU 50 -9.741 6.611 2.836 359 HG LEU 50 HG LEU 50 -8.333 7.089 0.210 360 HD11 LEU 50 1HD1 LEU 50 -8.315 4.802 1.617 361 HD12 LEU 50 2HD1 LEU 50 -8.337 4.863 -0.145 362 HD13 LEU 50 3HD1 LEU 50 -9.837 4.611 0.747 363 HD21 LEU 50 1HD2 LEU 50 -11.070 7.438 0.974 364 HD22 LEU 50 2HD2 LEU 50 -10.936 6.091 -0.157 365 HD23 LEU 50 3HD2 LEU 50 -10.311 7.681 -0.600 366 H ILE 51 H ILE 51 -7.339 9.215 4.067 367 HA ILE 51 HA ILE 51 -8.332 8.631 6.540 368 HB ILE 51 HB ILE 51 -6.562 10.950 5.768 369 HG12 ILE 51 1HG1 ILE 51 -5.916 8.245 6.962 370 HG13 ILE 51 2HG1 ILE 51 -5.704 8.679 5.269 371 HG21 ILE 51 1HG2 ILE 51 -7.866 10.508 8.228 372 HG22 ILE 51 2HG2 ILE 51 -6.170 10.087 8.461 373 HG23 ILE 51 3HG2 ILE 51 -6.607 11.686 7.861 374 HD11 ILE 51 1HD1 ILE 51 -3.672 9.395 5.740 375 HD12 ILE 51 2HD1 ILE 51 -4.363 10.630 6.793 376 HD13 ILE 51 3HD1 ILE 51 -3.924 9.054 7.452 377 H GLY 52 H GLY 52 -10.139 9.208 7.540 378 HA2 GLY 52 1HA GLY 52 -11.263 11.091 8.669 379 HA3 GLY 52 2HA GLY 52 -11.123 11.968 7.153 380 H ARG 53 H ARG 53 -11.850 9.732 5.476 381 HA ARG 53 HA ARG 53 -14.700 10.012 5.643 382 HB2 ARG 53 1HB ARG 53 -12.988 8.339 3.795 383 HB3 ARG 53 2HB ARG 53 -14.718 8.601 3.610 384 HG2 ARG 53 1HG ARG 53 -14.082 11.112 3.582 385 HG3 ARG 53 2HG ARG 53 -12.463 10.517 3.210 386 HD2 ARG 53 1HD ARG 53 -13.085 9.702 1.161 387 HD3 ARG 53 2HD ARG 53 -14.758 9.442 1.653 388 HE ARG 53 HE ARG 53 -13.664 11.793 0.456 389 HH11 ARG 53 2HH1 ARG 53 -16.117 10.623 2.633 390 HH12 ARG 53 1HH1 ARG 53 -17.181 11.963 2.362 391 HH21 ARG 53 2HH2 ARG 53 -15.057 13.562 0.091 392 HH22 ARG 53 1HH2 ARG 53 -16.578 13.634 0.915 393 H ALA 54 H ALA 54 -16.219 8.503 6.187 394 HA ALA 54 HA ALA 54 -15.290 6.286 7.814 395 HB1 ALA 54 1HB ALA 54 -17.421 6.203 8.727 396 HB2 ALA 54 2HB ALA 54 -17.213 7.919 8.374 397 HB3 ALA 54 3HB ALA 54 -18.172 6.906 7.295 398 H ASP 55 H ASP 55 -16.944 6.828 4.767 399 HA ASP 55 HA ASP 55 -17.980 4.335 4.228 400 HB2 ASP 55 1HB ASP 55 -17.235 4.965 1.767 401 HB3 ASP 55 2HB ASP 55 -18.517 5.853 2.587 402 H VAL 56 H VAL 56 -14.700 5.484 3.438 403 HA VAL 56 HA VAL 56 -13.673 3.220 2.270 404 HB VAL 56 HB VAL 56 -12.373 5.246 2.358 405 HG11 VAL 56 1HG1 VAL 56 -11.575 6.273 4.286 406 HG12 VAL 56 2HG1 VAL 56 -13.200 5.762 4.749 407 HG13 VAL 56 3HG1 VAL 56 -11.798 4.826 5.268 408 HG21 VAL 56 1HG2 VAL 56 -11.191 2.797 3.592 409 HG22 VAL 56 2HG2 VAL 56 -10.925 3.487 1.991 410 HG23 VAL 56 3HG2 VAL 56 -10.204 4.247 3.410 411 H ASP 57 H ASP 57 -13.869 3.965 5.732 412 HA ASP 57 HA ASP 57 -12.569 1.593 6.593 413 HB2 ASP 57 1HB ASP 57 -14.359 3.580 7.988 414 HB3 ASP 57 2HB ASP 57 -13.692 2.174 8.815 415 H LYS 58 H LYS 58 -16.011 2.528 6.624 416 HA LYS 58 HA LYS 58 -17.167 0.264 7.586 417 HB2 LYS 58 1HB LYS 58 -18.193 2.478 6.595 418 HB3 LYS 58 2HB LYS 58 -18.377 1.500 5.145 419 HG2 LYS 58 1HG LYS 58 -19.661 -0.147 6.458 420 HG3 LYS 58 2HG LYS 58 -19.537 0.915 7.861 421 HD2 LYS 58 1HD LYS 58 -20.928 2.521 6.928 422 HD3 LYS 58 2HD LYS 58 -20.644 1.952 5.281 423 HE2 LYS 58 1HE LYS 58 -22.848 1.298 5.851 424 HE3 LYS 58 2HE LYS 58 -21.859 -0.159 5.923 425 HZ1 LYS 58 1HZ LYS 58 -23.151 -0.226 7.841 426 HZ2 LYS 58 2HZ LYS 58 -22.961 1.424 8.161 427 HZ3 LYS 58 3HZ LYS 58 -21.663 0.363 8.391 428 H ILE 59 H ILE 59 -16.484 0.833 4.130 429 HA ILE 59 HA ILE 59 -17.274 -1.578 3.094 430 HB ILE 59 HB ILE 59 -14.838 0.003 2.263 431 HG12 ILE 59 1HG1 ILE 59 -17.642 0.087 1.136 432 HG13 ILE 59 2HG1 ILE 59 -17.029 1.242 2.315 433 HG21 ILE 59 1HG2 ILE 59 -15.963 -2.473 1.293 434 HG22 ILE 59 2HG2 ILE 59 -15.964 -1.233 0.041 435 HG23 ILE 59 3HG2 ILE 59 -14.458 -1.670 0.847 436 HD11 ILE 59 1HD1 ILE 59 -16.184 0.848 -0.530 437 HD12 ILE 59 2HD1 ILE 59 -16.801 2.303 0.252 438 HD13 ILE 59 3HD1 ILE 59 -15.181 1.718 0.630 439 H ILE 60 H ILE 60 -14.007 -0.799 4.290 440 HA ILE 60 HA ILE 60 -12.880 -3.323 3.925 441 HB ILE 60 HB ILE 60 -12.237 -1.199 5.969 442 HG12 ILE 60 1HG1 ILE 60 -10.651 -1.972 3.528 443 HG13 ILE 60 2HG1 ILE 60 -11.958 -0.796 3.442 444 HG21 ILE 60 1HG2 ILE 60 -11.517 -3.459 6.703 445 HG22 ILE 60 2HG2 ILE 60 -10.560 -3.590 5.228 446 HG23 ILE 60 3HG2 ILE 60 -10.177 -2.348 6.420 447 HD11 ILE 60 1HD1 ILE 60 -10.029 -0.277 5.572 448 HD12 ILE 60 2HD1 ILE 60 -9.355 -0.213 3.943 449 HD13 ILE 60 3HD1 ILE 60 -10.724 0.812 4.372 450 H GLN 61 H GLN 61 -14.546 -1.966 6.750 451 HA GLN 61 HA GLN 61 -14.176 -4.050 8.535 452 HB2 GLN 61 1HB GLN 61 -16.578 -2.246 8.202 453 HB3 GLN 61 2HB GLN 61 -16.294 -3.277 9.598 454 HG2 GLN 61 1HG GLN 61 -14.001 -1.976 9.653 455 HG3 GLN 61 2HG GLN 61 -14.942 -0.765 8.784 456 HE21 GLN 61 1HE2 GLN 61 -15.553 -2.980 11.493 457 HE22 GLN 61 2HE2 GLN 61 -16.178 -1.773 12.560 458 H GLU 62 H GLU 62 -16.935 -3.575 6.325 459 HA GLU 62 HA GLU 62 -17.489 -6.460 6.559 460 HB2 GLU 62 1HB GLU 62 -19.335 -5.217 7.449 461 HB3 GLU 62 2HB GLU 62 -19.359 -4.145 6.055 462 HG2 GLU 62 1HG GLU 62 -21.084 -5.497 5.495 463 HG3 GLU 62 2HG GLU 62 -19.768 -6.419 4.770 464 HA PRO 63 HA PRO 63 -16.080 -5.999 2.244 465 HB2 PRO 63 1HB PRO 63 -15.234 -8.570 2.033 466 HB3 PRO 63 2HB PRO 63 -14.250 -7.291 2.755 467 HG2 PRO 63 1HG PRO 63 -15.931 -9.373 4.097 468 HG3 PRO 63 2HG PRO 63 -14.306 -8.805 4.519 469 HD2 PRO 63 1HD PRO 63 -16.527 -7.959 5.816 470 HD3 PRO 63 2HD PRO 63 -15.104 -6.923 5.585 471 HA PRO 64 HA PRO 64 -19.688 -7.661 0.329 472 HB2 PRO 64 1HB PRO 64 -18.800 -7.810 -2.232 473 HB3 PRO 64 2HB PRO 64 -19.205 -6.281 -1.443 474 HG2 PRO 64 1HG PRO 64 -16.524 -7.544 -1.865 475 HG3 PRO 64 2HG PRO 64 -17.005 -5.849 -2.062 476 HD2 PRO 64 1HD PRO 64 -15.698 -6.746 0.133 477 HD3 PRO 64 2HD PRO 64 -16.874 -5.418 0.198 478 H HIS 65 H HIS 65 -16.626 -9.159 -0.724 479 HA HIS 65 HA HIS 65 -17.789 -11.595 -1.556 480 HB2 HIS 65 1HB HIS 65 -15.599 -12.376 -1.872 481 HB3 HIS 65 2HB HIS 65 -15.463 -10.638 -2.115 482 HD1 HIS 65 1HD HIS 65 -14.558 -9.284 0.067 483 HD2 HIS 65 2HD HIS 65 -13.888 -13.383 -0.017 484 HE1 HIS 65 1HE HIS 65 -12.742 -9.703 1.756 485 H LYS 66 H LYS 66 -15.977 -10.777 1.402 486 HA LYS 66 HA LYS 66 -16.744 -13.290 2.630 487 HB2 LYS 66 1HB LYS 66 -14.541 -12.655 3.153 488 HB3 LYS 66 2HB LYS 66 -15.002 -10.986 3.464 489 HG2 LYS 66 1HG LYS 66 -14.559 -11.913 5.568 490 HG3 LYS 66 2HG LYS 66 -16.319 -11.871 5.443 491 HD2 LYS 66 1HD LYS 66 -16.263 -14.253 4.723 492 HD3 LYS 66 2HD LYS 66 -14.524 -14.261 5.027 493 HE2 LYS 66 1HE LYS 66 -16.495 -13.458 7.145 494 HE3 LYS 66 2HE LYS 66 -16.072 -15.147 6.868 495 HZ1 LYS 66 1HZ LYS 66 -13.729 -13.580 7.027 496 HZ2 LYS 66 2HZ LYS 66 -14.211 -14.869 8.010 497 HZ3 LYS 66 3HZ LYS 66 -14.689 -13.291 8.389 498 H LYS 67 H LYS 67 -18.887 -13.300 3.097 499 HA LYS 67 HA LYS 67 -19.784 -11.884 5.377 500 HB2 LYS 67 1HB LYS 67 -21.456 -10.453 4.429 501 HB3 LYS 67 2HB LYS 67 -19.923 -10.072 3.655 502 HG2 LYS 67 1HG LYS 67 -20.553 -11.285 1.682 503 HG3 LYS 67 2HG LYS 67 -22.028 -11.862 2.461 504 HD2 LYS 67 1HD LYS 67 -21.585 -8.927 2.327 505 HD3 LYS 67 2HD LYS 67 -22.019 -9.763 0.834 506 HE2 LYS 67 1HE LYS 67 -24.109 -9.297 1.607 507 HE3 LYS 67 2HE LYS 67 -23.853 -10.842 2.416 508 HZ1 LYS 67 1HZ LYS 67 -23.374 -8.173 3.630 509 HZ2 LYS 67 2HZ LYS 67 -23.180 -9.665 4.403 510 HZ3 LYS 67 3HZ LYS 67 -24.720 -9.154 3.925 511 H SER 68 H SER 68 -21.559 -12.846 6.267 512 HA SER 68 HA SER 68 -22.245 -15.407 5.734 513 HB2 SER 68 1HB SER 68 -23.877 -13.177 6.927 514 HB3 SER 68 2HB SER 68 -24.530 -14.809 6.789 515 HG SER 68 HG SER 68 -23.016 -13.899 8.699 516 H GLY 69 H GLY 69 -23.089 -16.424 4.048 517 HA2 GLY 69 1HA GLY 69 -25.156 -16.649 2.692 518 HA3 GLY 69 2HA GLY 69 -24.982 -14.938 2.331 519 HA PRO 70 HA PRO 70 -21.548 -17.427 -0.060 520 HB2 PRO 70 1HB PRO 70 -22.172 -20.032 -0.502 521 HB3 PRO 70 2HB PRO 70 -21.236 -19.493 0.897 522 HG2 PRO 70 1HG PRO 70 -24.147 -20.164 0.711 523 HG3 PRO 70 2HG PRO 70 -22.979 -20.591 1.975 524 HD2 PRO 70 1HD PRO 70 -24.742 -18.553 2.249 525 HD3 PRO 70 2HD PRO 70 -23.127 -18.524 2.986 526 H SER 71 H SER 71 -24.970 -18.202 -0.365 527 HA SER 71 HA SER 71 -24.849 -18.504 -3.227 528 HB2 SER 71 1HB SER 71 -27.314 -18.676 -3.074 529 HB3 SER 71 2HB SER 71 -26.506 -19.765 -1.948 530 HG SER 71 HG SER 71 -27.464 -18.767 -0.379 531 H SER 72 H SER 72 -23.800 -16.402 -3.589 532 HA SER 72 HA SER 72 -25.809 -14.260 -3.802 533 HB2 SER 72 1HB SER 72 -24.269 -13.685 -1.995 534 HB3 SER 72 2HB SER 72 -22.890 -13.938 -3.064 535 HG SER 72 HG SER 72 -24.843 -11.901 -3.151 536 H GLY 73 H GLY 73 -26.265 -14.289 -5.927 537 HA2 GLY 73 1HA GLY 73 -24.938 -13.096 -7.886 538 HA3 GLY 73 2HA GLY 73 -24.119 -14.651 -7.872 Start of MODEL 5 1 H1 GLY 1 H GLY 1 16.485 -7.247 -17.805 2 HA2 GLY 1 1HA GLY 1 14.189 -6.075 -16.598 3 HA3 GLY 1 2HA GLY 1 13.952 -6.262 -18.329 4 H SER 2 H SER 2 14.340 -7.911 -15.285 5 HA SER 2 HA SER 2 14.595 -10.535 -15.966 6 HB2 SER 2 1HB SER 2 14.455 -9.872 -13.648 7 HB3 SER 2 2HB SER 2 12.788 -9.335 -13.855 8 HG SER 2 HG SER 2 13.054 -11.462 -12.896 9 H SER 3 H SER 3 13.309 -12.179 -16.704 10 HA SER 3 HA SER 3 11.371 -11.673 -18.591 11 HB2 SER 3 1HB SER 3 12.638 -13.864 -18.076 12 HB3 SER 3 2HB SER 3 11.321 -14.199 -16.952 13 HG SER 3 HG SER 3 11.354 -14.268 -19.699 14 H GLY 4 H GLY 4 10.828 -12.725 -15.227 15 HA2 GLY 4 1HA GLY 4 8.853 -11.121 -14.418 16 HA3 GLY 4 2HA GLY 4 7.978 -12.203 -15.491 17 H SER 5 H SER 5 9.251 -11.751 -12.373 18 HA SER 5 HA SER 5 8.838 -14.582 -11.692 19 HB2 SER 5 1HB SER 5 11.001 -13.879 -10.988 20 HB3 SER 5 2HB SER 5 10.372 -12.376 -10.314 21 HG SER 5 HG SER 5 9.350 -14.759 -9.299 22 H SER 6 H SER 6 7.011 -15.125 -10.722 23 HA SER 6 HA SER 6 5.048 -13.249 -9.962 24 HB2 SER 6 1HB SER 6 5.284 -16.189 -9.276 25 HB3 SER 6 2HB SER 6 3.838 -15.209 -9.039 26 HG SER 6 HG SER 6 4.313 -14.764 -11.467 27 H GLY 7 H GLY 7 4.834 -12.097 -8.164 28 HA2 GLY 7 1HA GLY 7 5.961 -13.149 -5.659 29 HA3 GLY 7 2HA GLY 7 6.407 -11.533 -6.187 30 H LYS 8 H LYS 8 4.014 -10.564 -7.128 31 HA LYS 8 HA LYS 8 2.738 -9.763 -4.746 32 HB2 LYS 8 1HB LYS 8 2.850 -8.601 -7.071 33 HB3 LYS 8 2HB LYS 8 1.423 -9.561 -7.438 34 HG2 LYS 8 1HG LYS 8 0.140 -8.486 -5.801 35 HG3 LYS 8 2HG LYS 8 1.564 -7.806 -5.010 36 HD2 LYS 8 1HD LYS 8 0.589 -6.016 -6.191 37 HD3 LYS 8 2HD LYS 8 1.965 -6.527 -7.171 38 HE2 LYS 8 1HE LYS 8 0.217 -6.236 -8.704 39 HE3 LYS 8 2HE LYS 8 0.299 -7.978 -8.446 40 HZ1 LYS 8 1HZ LYS 8 -1.687 -8.011 -7.399 41 HZ2 LYS 8 2HZ LYS 8 -1.961 -6.626 -8.330 42 HZ3 LYS 8 3HZ LYS 8 -1.497 -6.477 -6.710 43 H ALA 9 H ALA 9 0.327 -9.949 -4.410 44 HA ALA 9 HA ALA 9 -0.517 -12.729 -4.910 45 HB1 ALA 9 1HB ALA 9 -0.392 -12.750 -2.646 46 HB2 ALA 9 2HB ALA 9 -0.654 -11.011 -2.504 47 HB3 ALA 9 3HB ALA 9 -2.019 -12.087 -2.803 48 H LYS 10 H LYS 10 -2.135 -12.905 -6.301 49 HA LYS 10 HA LYS 10 -3.599 -10.798 -7.370 50 HB2 LYS 10 1HB LYS 10 -3.736 -12.638 -8.720 51 HB3 LYS 10 2HB LYS 10 -3.850 -13.756 -7.367 52 HG2 LYS 10 1HG LYS 10 -6.116 -13.593 -7.238 53 HG3 LYS 10 2HG LYS 10 -6.144 -11.940 -7.855 54 HD2 LYS 10 1HD LYS 10 -7.026 -13.115 -9.634 55 HD3 LYS 10 2HD LYS 10 -5.316 -13.050 -10.067 56 HE2 LYS 10 1HE LYS 10 -5.216 -15.309 -8.741 57 HE3 LYS 10 2HE LYS 10 -6.945 -15.348 -9.080 58 HZ1 LYS 10 1HZ LYS 10 -6.294 -14.960 -11.474 59 HZ2 LYS 10 2HZ LYS 10 -5.928 -16.484 -10.838 60 HZ3 LYS 10 3HZ LYS 10 -4.707 -15.326 -11.015 61 HA PRO 11 HA PRO 11 -6.558 -9.830 -4.248 62 HB2 PRO 11 1HB PRO 11 -8.374 -8.548 -5.807 63 HB3 PRO 11 2HB PRO 11 -6.827 -7.829 -5.345 64 HG2 PRO 11 1HG PRO 11 -7.598 -9.183 -7.901 65 HG3 PRO 11 2HG PRO 11 -6.659 -7.698 -7.661 66 HD2 PRO 11 1HD PRO 11 -5.498 -10.085 -8.199 67 HD3 PRO 11 2HD PRO 11 -4.720 -8.851 -7.187 68 H VAL 12 H VAL 12 -8.744 -10.286 -3.611 69 HA VAL 12 HA VAL 12 -9.868 -12.617 -5.013 70 HB VAL 12 HB VAL 12 -10.979 -13.164 -2.869 71 HG11 VAL 12 1HG1 VAL 12 -8.080 -12.867 -2.234 72 HG12 VAL 12 2HG1 VAL 12 -9.152 -14.247 -1.988 73 HG13 VAL 12 3HG1 VAL 12 -8.567 -13.861 -3.607 74 HG21 VAL 12 1HG2 VAL 12 -11.134 -11.666 -1.238 75 HG22 VAL 12 2HG2 VAL 12 -9.376 -11.619 -1.094 76 HG23 VAL 12 3HG2 VAL 12 -10.200 -10.523 -2.203 77 H ALA 13 H ALA 13 -10.549 -9.427 -3.797 78 HA ALA 13 HA ALA 13 -13.007 -9.347 -5.319 79 HB1 ALA 13 1HB ALA 13 -14.127 -8.340 -3.145 80 HB2 ALA 13 2HB ALA 13 -14.163 -10.070 -3.490 81 HB3 ALA 13 3HB ALA 13 -12.984 -9.422 -2.349 82 H THR 14 H THR 14 -13.650 -7.268 -5.850 83 HA THR 14 HA THR 14 -12.054 -5.051 -4.772 84 HB THR 14 HB THR 14 -12.619 -5.357 -7.723 85 HG1 THR 14 1HG THR 14 -10.263 -5.947 -6.231 86 HG21 THR 14 1HG2 THR 14 -11.838 -3.278 -7.924 87 HG22 THR 14 2HG2 THR 14 -10.395 -3.679 -6.992 88 HG23 THR 14 3HG2 THR 14 -11.861 -3.153 -6.166 89 H ALA 15 H ALA 15 -13.181 -3.228 -4.392 90 HA ALA 15 HA ALA 15 -15.789 -2.855 -5.661 91 HB1 ALA 15 1HB ALA 15 -15.326 -3.074 -2.703 92 HB2 ALA 15 2HB ALA 15 -16.713 -2.214 -3.372 93 HB3 ALA 15 3HB ALA 15 -16.497 -3.933 -3.704 94 HA PRO 16 HA PRO 16 -14.107 1.242 -5.936 95 HB2 PRO 16 1HB PRO 16 -16.312 2.415 -7.001 96 HB3 PRO 16 2HB PRO 16 -15.221 1.389 -7.941 97 HG2 PRO 16 1HG PRO 16 -17.849 0.705 -6.680 98 HG3 PRO 16 2HG PRO 16 -17.228 0.266 -8.282 99 HD2 PRO 16 1HD PRO 16 -17.190 -1.447 -6.186 100 HD3 PRO 16 2HD PRO 16 -15.945 -1.459 -7.452 101 H ILE 17 H ILE 17 -13.939 2.728 -4.386 102 HA ILE 17 HA ILE 17 -15.802 2.838 -2.219 103 HB ILE 17 HB ILE 17 -13.437 4.603 -2.860 104 HG12 ILE 17 1HG1 ILE 17 -13.819 2.102 -1.255 105 HG13 ILE 17 2HG1 ILE 17 -12.534 2.512 -2.385 106 HG21 ILE 17 1HG2 ILE 17 -13.613 5.518 -0.675 107 HG22 ILE 17 2HG2 ILE 17 -15.204 5.658 -1.421 108 HG23 ILE 17 3HG2 ILE 17 -14.895 4.389 -0.236 109 HD11 ILE 17 1HD1 ILE 17 -11.555 4.021 -0.789 110 HD12 ILE 17 2HD1 ILE 17 -12.895 3.758 0.328 111 HD13 ILE 17 3HD1 ILE 17 -11.785 2.439 -0.046 112 HA PRO 18 HA PRO 18 -18.547 5.875 -3.884 113 HB2 PRO 18 1HB PRO 18 -19.776 6.561 -1.563 114 HB3 PRO 18 2HB PRO 18 -20.100 5.043 -2.409 115 HG2 PRO 18 1HG PRO 18 -18.329 5.556 -0.051 116 HG3 PRO 18 2HG PRO 18 -19.460 4.220 -0.331 117 HD2 PRO 18 1HD PRO 18 -16.790 3.971 -0.708 118 HD3 PRO 18 2HD PRO 18 -17.979 3.082 -1.682 119 H GLY 19 H GLY 19 -18.103 7.911 -4.435 120 HA2 GLY 19 1HA GLY 19 -17.803 10.211 -3.966 121 HA3 GLY 19 2HA GLY 19 -17.160 9.780 -2.388 122 H THR 20 H THR 20 -15.136 8.123 -2.852 123 HA THR 20 HA THR 20 -13.253 9.814 -4.320 124 HB THR 20 HB THR 20 -11.569 9.050 -2.961 125 HG1 THR 20 1HG THR 20 -12.895 6.729 -2.092 126 HG21 THR 20 1HG2 THR 20 -14.109 8.726 -1.375 127 HG22 THR 20 2HG2 THR 20 -13.032 10.121 -1.438 128 HG23 THR 20 3HG2 THR 20 -12.510 8.639 -0.638 129 HA PRO 21 HA PRO 21 -12.755 6.987 -7.649 130 HB2 PRO 21 1HB PRO 21 -10.170 7.475 -8.320 131 HB3 PRO 21 2HB PRO 21 -11.481 8.610 -8.660 132 HG2 PRO 21 1HG PRO 21 -9.493 8.629 -6.422 133 HG3 PRO 21 2HG PRO 21 -10.073 9.979 -7.415 134 HD2 PRO 21 1HD PRO 21 -11.009 9.498 -4.920 135 HD3 PRO 21 2HD PRO 21 -12.019 10.201 -6.199 136 H TRP 22 H TRP 22 -11.204 6.607 -4.699 137 HA TRP 22 HA TRP 22 -9.410 4.490 -5.323 138 HB2 TRP 22 1HB TRP 22 -10.677 5.407 -2.742 139 HB3 TRP 22 2HB TRP 22 -9.554 4.053 -2.819 140 HD1 TRP 22 HD TRP 22 -9.680 7.859 -3.088 141 HE1 TRP 22 1HE TRP 22 -7.279 8.778 -2.964 142 HE3 TRP 22 3HE TRP 22 -7.110 3.446 -3.320 143 HZ2 TRP 22 2HZ TRP 22 -4.644 7.765 -2.964 144 HZ3 TRP 22 3HZ TRP 22 -4.651 3.508 -3.253 145 HH2 TRP 22 HH TRP 22 -3.446 5.624 -3.079 146 H CYS 23 H CYS 23 -9.635 2.251 -4.725 147 HA CYS 23 HA CYS 23 -12.392 1.288 -4.477 148 HB2 CYS 23 1HB CYS 23 -10.413 0.197 -6.488 149 HB3 CYS 23 2HB CYS 23 -12.054 -0.380 -6.222 150 HG CYS 23 HG CYS 23 -12.287 2.797 -6.848 151 H VAL 24 H VAL 24 -12.538 -0.090 -2.846 152 HA VAL 24 HA VAL 24 -10.260 -1.058 -1.458 153 HB VAL 24 HB VAL 24 -13.100 -2.050 -1.194 154 HG11 VAL 24 1HG1 VAL 24 -10.605 -2.564 0.223 155 HG12 VAL 24 2HG1 VAL 24 -11.920 -2.063 1.287 156 HG13 VAL 24 3HG1 VAL 24 -12.121 -3.464 0.234 157 HG21 VAL 24 1HG2 VAL 24 -12.932 -0.342 0.816 158 HG22 VAL 24 2HG2 VAL 24 -11.783 0.449 -0.263 159 HG23 VAL 24 3HG2 VAL 24 -13.443 0.175 -0.791 160 H VAL 25 H VAL 25 -9.007 -2.703 -2.008 161 HA VAL 25 HA VAL 25 -10.200 -4.950 -3.500 162 HB VAL 25 HB VAL 25 -7.343 -3.989 -3.700 163 HG11 VAL 25 1HG1 VAL 25 -8.599 -6.441 -4.406 164 HG12 VAL 25 2HG1 VAL 25 -8.146 -5.598 -5.889 165 HG13 VAL 25 3HG1 VAL 25 -6.927 -5.944 -4.662 166 HG21 VAL 25 1HG2 VAL 25 -8.411 -3.632 -6.168 167 HG22 VAL 25 2HG2 VAL 25 -9.785 -3.221 -5.143 168 HG23 VAL 25 3HG2 VAL 25 -8.257 -2.360 -4.956 169 H TRP 26 H TRP 26 -10.175 -6.822 -2.459 170 HA TRP 26 HA TRP 26 -8.452 -7.121 -0.114 171 HB2 TRP 26 1HB TRP 26 -10.868 -8.658 -1.075 172 HB3 TRP 26 2HB TRP 26 -9.897 -9.156 0.307 173 HD1 TRP 26 HD TRP 26 -10.176 -7.796 2.560 174 HE1 TRP 26 1HE TRP 26 -11.907 -6.065 3.354 175 HE3 TRP 26 3HE TRP 26 -12.350 -6.701 -1.936 176 HZ2 TRP 26 2HZ TRP 26 -13.927 -4.449 2.224 177 HZ3 TRP 26 3HZ TRP 26 -14.175 -5.052 -1.992 178 HH2 TRP 26 HH TRP 26 -14.947 -3.951 0.046 179 H THR 27 H THR 27 -7.604 -9.397 0.266 180 HA THR 27 HA THR 27 -6.729 -10.656 -2.241 181 HB THR 27 HB THR 27 -4.463 -10.992 -1.217 182 HG1 THR 27 1HG THR 27 -4.157 -10.323 0.761 183 HG21 THR 27 1HG2 THR 27 -5.088 -9.152 -2.868 184 HG22 THR 27 2HG2 THR 27 -3.621 -8.902 -1.920 185 HG23 THR 27 3HG2 THR 27 -5.110 -8.065 -1.480 186 H GLY 28 H GLY 28 -5.313 -12.724 -1.468 187 HA2 GLY 28 1HA GLY 28 -7.243 -14.391 -0.116 188 HA3 GLY 28 2HA GLY 28 -5.729 -14.918 -0.837 189 H ASP 29 H ASP 29 -4.335 -12.739 0.748 190 HA ASP 29 HA ASP 29 -3.853 -14.378 3.089 191 HB2 ASP 29 1HB ASP 29 -2.123 -13.067 1.585 192 HB3 ASP 29 2HB ASP 29 -2.520 -11.736 2.668 193 H GLU 30 H GLU 30 -6.416 -13.304 3.106 194 HA GLU 30 HA GLU 30 -7.866 -11.951 4.262 195 HB2 GLU 30 1HB GLU 30 -5.877 -12.464 6.477 196 HB3 GLU 30 2HB GLU 30 -7.585 -12.089 6.661 197 HG2 GLU 30 1HG GLU 30 -7.665 -14.336 6.941 198 HG3 GLU 30 2HG GLU 30 -7.863 -14.259 5.191 199 H ARG 31 H ARG 31 -6.036 -10.416 2.801 200 HA ARG 31 HA ARG 31 -5.747 -8.082 4.573 201 HB2 ARG 31 1HB ARG 31 -3.789 -9.276 2.664 202 HB3 ARG 31 2HB ARG 31 -3.818 -7.527 2.845 203 HG2 ARG 31 1HG ARG 31 -3.670 -9.266 5.266 204 HG3 ARG 31 2HG ARG 31 -2.222 -8.959 4.305 205 HD2 ARG 31 1HD ARG 31 -2.070 -7.216 5.764 206 HD3 ARG 31 2HD ARG 31 -3.058 -6.457 4.516 207 HE ARG 31 HE ARG 31 -4.830 -6.420 5.978 208 HH11 ARG 31 2HH1 ARG 31 -2.311 -8.462 7.246 209 HH12 ARG 31 1HH1 ARG 31 -3.053 -8.632 8.803 210 HH21 ARG 31 2HH2 ARG 31 -5.816 -6.636 8.023 211 HH22 ARG 31 1HH2 ARG 31 -5.047 -7.594 9.243 212 H VAL 32 H VAL 32 -5.604 -6.003 3.299 213 HA VAL 32 HA VAL 32 -6.904 -6.041 0.703 214 HB VAL 32 HB VAL 32 -8.842 -6.069 2.142 215 HG11 VAL 32 1HG1 VAL 32 -8.192 -5.359 4.238 216 HG12 VAL 32 2HG1 VAL 32 -7.359 -3.934 3.614 217 HG13 VAL 32 3HG1 VAL 32 -9.122 -3.975 3.665 218 HG21 VAL 32 1HG2 VAL 32 -8.172 -3.832 0.437 219 HG22 VAL 32 2HG2 VAL 32 -9.684 -4.728 0.575 220 HG23 VAL 32 3HG2 VAL 32 -9.355 -3.380 1.664 221 H PHE 33 H PHE 33 -6.356 -4.321 -0.534 222 HA PHE 33 HA PHE 33 -4.906 -2.117 0.775 223 HB2 PHE 33 1HB PHE 33 -3.354 -2.035 -1.078 224 HB3 PHE 33 2HB PHE 33 -3.376 -3.671 -0.428 225 HD1 PHE 33 1HD PHE 33 -4.616 -5.455 -1.648 226 HD2 PHE 33 2HD PHE 33 -3.949 -1.595 -3.313 227 HE1 PHE 33 1HE PHE 33 -5.107 -6.341 -3.891 228 HE2 PHE 33 2HE PHE 33 -4.440 -2.475 -5.558 229 HZ PHE 33 HZ PHE 33 -5.021 -4.850 -5.849 230 H PHE 34 H PHE 34 -4.812 -0.122 -0.572 231 HA PHE 34 HA PHE 34 -7.434 0.337 -1.781 232 HB2 PHE 34 1HB PHE 34 -5.319 2.361 -1.022 233 HB3 PHE 34 2HB PHE 34 -6.989 2.699 -1.466 234 HD1 PHE 34 1HD PHE 34 -8.810 2.211 0.075 235 HD2 PHE 34 2HD PHE 34 -4.747 1.554 1.163 236 HE1 PHE 34 1HE PHE 34 -9.472 2.053 2.439 237 HE2 PHE 34 2HE PHE 34 -5.403 1.393 3.528 238 HZ PHE 34 HZ PHE 34 -7.768 1.642 4.170 239 H TYR 35 H TYR 35 -7.726 0.742 -3.888 240 HA TYR 35 HA TYR 35 -5.331 1.134 -5.560 241 HB2 TYR 35 1HB TYR 35 -6.073 -1.062 -6.041 242 HB3 TYR 35 2HB TYR 35 -7.764 -0.576 -6.046 243 HD1 TYR 35 1HD TYR 35 -4.632 0.428 -7.836 244 HD2 TYR 35 2HD TYR 35 -8.760 -0.563 -8.118 245 HE1 TYR 35 1HE TYR 35 -4.531 0.729 -10.275 246 HE2 TYR 35 2HE TYR 35 -8.671 -0.266 -10.557 247 HH TYR 35 HH TYR 35 -7.374 0.136 -12.317 248 H ASN 36 H ASN 36 -5.563 2.445 -7.413 249 HA ASN 36 HA ASN 36 -8.021 4.051 -7.543 250 HB2 ASN 36 1HB ASN 36 -6.180 5.239 -6.282 251 HB3 ASN 36 2HB ASN 36 -5.250 5.235 -7.778 252 HD21 ASN 36 1HD2 ASN 36 -7.074 7.121 -5.917 253 HD22 ASN 36 2HD2 ASN 36 -7.754 8.179 -7.101 254 HA PRO 37 HA PRO 37 -7.228 2.553 -11.754 255 HB2 PRO 37 1HB PRO 37 -9.808 2.822 -12.555 256 HB3 PRO 37 2HB PRO 37 -9.226 1.423 -11.645 257 HG2 PRO 37 1HG PRO 37 -10.691 3.843 -10.666 258 HG3 PRO 37 2HG PRO 37 -10.933 2.139 -10.239 259 HD2 PRO 37 1HD PRO 37 -9.568 3.859 -8.654 260 HD3 PRO 37 2HD PRO 37 -9.172 2.131 -8.752 261 H THR 38 H THR 38 -7.970 5.538 -10.458 262 HA THR 38 HA THR 38 -8.298 6.856 -13.051 263 HB THR 38 HB THR 38 -8.385 8.099 -10.297 264 HG1 THR 38 1HG THR 38 -10.084 6.444 -11.077 265 HG21 THR 38 1HG2 THR 38 -8.951 10.072 -11.281 266 HG22 THR 38 2HG2 THR 38 -9.748 9.288 -12.645 267 HG23 THR 38 3HG2 THR 38 -7.989 9.403 -12.599 268 H THR 39 H THR 39 -6.054 6.548 -10.379 269 HA THR 39 HA THR 39 -4.114 8.176 -11.890 270 HB THR 39 HB THR 39 -3.043 8.773 -9.768 271 HG1 THR 39 1HG THR 39 -4.529 8.279 -7.855 272 HG21 THR 39 1HG2 THR 39 -5.311 9.861 -10.790 273 HG22 THR 39 2HG2 THR 39 -4.416 10.532 -9.426 274 HG23 THR 39 3HG2 THR 39 -5.823 9.507 -9.140 275 H ARG 40 H ARG 40 -4.864 5.120 -11.296 276 HA ARG 40 HA ARG 40 -3.753 3.135 -11.176 277 HB2 ARG 40 1HB ARG 40 -1.528 4.787 -12.387 278 HB3 ARG 40 2HB ARG 40 -1.607 3.031 -12.377 279 HG2 ARG 40 1HG ARG 40 -3.642 3.120 -13.737 280 HG3 ARG 40 2HG ARG 40 -3.538 4.882 -13.760 281 HD2 ARG 40 1HD ARG 40 -1.766 2.860 -15.075 282 HD3 ARG 40 2HD ARG 40 -2.564 4.267 -15.777 283 HE ARG 40 HE ARG 40 -0.826 5.603 -15.039 284 HH11 ARG 40 2HH1 ARG 40 -0.506 2.375 -13.774 285 HH12 ARG 40 1HH1 ARG 40 1.118 2.613 -13.220 286 HH21 ARG 40 2HH2 ARG 40 1.312 5.928 -14.315 287 HH22 ARG 40 1HH2 ARG 40 2.151 4.635 -13.527 288 H LEU 41 H LEU 41 -3.692 4.716 -8.813 289 HA LEU 41 HA LEU 41 -1.026 4.129 -7.720 290 HB2 LEU 41 1HB LEU 41 -2.234 6.463 -7.609 291 HB3 LEU 41 2HB LEU 41 -3.062 5.724 -6.239 292 HG LEU 41 HG LEU 41 -1.196 7.057 -5.471 293 HD11 LEU 41 1HD1 LEU 41 -0.120 5.446 -4.083 294 HD12 LEU 41 2HD1 LEU 41 -0.469 4.145 -5.221 295 HD13 LEU 41 3HD1 LEU 41 -1.783 4.912 -4.330 296 HD21 LEU 41 1HD2 LEU 41 1.030 5.532 -6.338 297 HD22 LEU 41 2HD2 LEU 41 0.669 7.229 -6.658 298 HD23 LEU 41 3HD2 LEU 41 0.095 5.980 -7.764 299 H SER 42 H SER 42 -0.777 2.556 -6.267 300 HA SER 42 HA SER 42 -3.121 1.587 -4.791 301 HB2 SER 42 1HB SER 42 -1.186 -0.441 -5.823 302 HB3 SER 42 2HB SER 42 -2.902 -0.611 -5.456 303 HG SER 42 HG SER 42 -2.835 -0.592 -7.627 304 H MET 43 H MET 43 -2.619 1.923 -2.730 305 HA MET 43 HA MET 43 0.101 1.238 -1.827 306 HB2 MET 43 1HB MET 43 -1.631 3.152 -0.313 307 HB3 MET 43 2HB MET 43 0.122 3.032 -0.354 308 HG2 MET 43 1HG MET 43 -0.282 3.709 -2.890 309 HG3 MET 43 2HG MET 43 -1.732 4.425 -2.189 310 HE1 MET 43 1HE MET 43 -1.278 6.260 0.239 311 HE2 MET 43 2HE MET 43 -0.530 4.724 0.677 312 HE3 MET 43 3HE MET 43 0.381 6.226 0.836 313 H TRP 44 H TRP 44 0.326 0.147 0.134 314 HA TRP 44 HA TRP 44 -1.864 -1.578 0.806 315 HB2 TRP 44 1HB TRP 44 0.977 -1.300 1.722 316 HB3 TRP 44 2HB TRP 44 -0.147 -2.290 2.650 317 HD1 TRP 44 HD TRP 44 2.039 -2.372 -0.383 318 HE1 TRP 44 1HE TRP 44 1.772 -4.628 -1.593 319 HE3 TRP 44 3HE TRP 44 -2.062 -4.147 2.101 320 HZ2 TRP 44 2HZ TRP 44 0.050 -6.863 -1.507 321 HZ3 TRP 44 3HZ TRP 44 -2.957 -6.352 1.476 322 HH2 TRP 44 HH TRP 44 -1.921 -7.680 -0.291 323 H ASP 45 H ASP 45 -0.696 1.430 1.945 324 HA ASP 45 HA ASP 45 -2.130 1.156 4.489 325 HB2 ASP 45 1HB ASP 45 -0.588 3.614 3.783 326 HB3 ASP 45 2HB ASP 45 -0.812 2.842 5.350 327 H ARG 46 H ARG 46 -3.241 3.282 5.189 328 HA ARG 46 HA ARG 46 -5.200 3.896 3.145 329 HB2 ARG 46 1HB ARG 46 -5.518 3.465 5.748 330 HB3 ARG 46 2HB ARG 46 -5.252 5.202 5.824 331 HG2 ARG 46 1HG ARG 46 -7.223 4.215 3.846 332 HG3 ARG 46 2HG ARG 46 -7.665 4.135 5.553 333 HD2 ARG 46 1HD ARG 46 -6.482 6.663 4.538 334 HD3 ARG 46 2HD ARG 46 -8.139 6.283 4.070 335 HE ARG 46 HE ARG 46 -7.304 7.256 6.570 336 HH11 ARG 46 2HH1 ARG 46 -9.435 4.873 5.191 337 HH12 ARG 46 1HH1 ARG 46 -10.546 4.908 6.520 338 HH21 ARG 46 2HH2 ARG 46 -8.759 7.311 8.325 339 HH22 ARG 46 1HH2 ARG 46 -10.161 6.295 8.302 340 HA PRO 47 HA PRO 47 -2.833 7.553 2.048 341 HB2 PRO 47 1HB PRO 47 -4.364 8.181 -0.104 342 HB3 PRO 47 2HB PRO 47 -3.121 6.924 -0.143 343 HG2 PRO 47 1HG PRO 47 -6.084 6.649 0.189 344 HG3 PRO 47 2HG PRO 47 -4.974 5.683 -0.801 345 HD2 PRO 47 1HD PRO 47 -5.880 4.847 1.610 346 HD3 PRO 47 2HD PRO 47 -4.270 4.422 0.996 347 H ASP 48 H ASP 48 -3.200 9.784 2.144 348 HA ASP 48 HA ASP 48 -5.081 10.701 3.966 349 HB2 ASP 48 1HB ASP 48 -3.254 11.981 2.005 350 HB3 ASP 48 2HB ASP 48 -4.560 12.977 2.641 351 H ASP 49 H ASP 49 -5.172 10.832 0.419 352 HA ASP 49 HA ASP 49 -7.368 12.284 -0.126 353 HB2 ASP 49 1HB ASP 49 -6.758 9.569 -1.316 354 HB3 ASP 49 2HB ASP 49 -7.824 10.776 -2.029 355 H LEU 50 H LEU 50 -7.320 9.275 1.589 356 HA LEU 50 HA LEU 50 -10.259 9.194 1.598 357 HB2 LEU 50 1HB LEU 50 -8.210 7.085 2.247 358 HB3 LEU 50 2HB LEU 50 -9.941 6.885 2.514 359 HG LEU 50 HG LEU 50 -8.634 7.323 -0.170 360 HD11 LEU 50 1HD1 LEU 50 -8.503 5.103 -0.463 361 HD12 LEU 50 2HD1 LEU 50 -10.002 4.794 0.412 362 HD13 LEU 50 3HD1 LEU 50 -8.501 5.050 1.300 363 HD21 LEU 50 1HD2 LEU 50 -11.330 7.600 0.717 364 HD22 LEU 50 2HD2 LEU 50 -11.221 6.205 -0.357 365 HD23 LEU 50 3HD2 LEU 50 -10.672 7.789 -0.908 366 H ILE 51 H ILE 51 -7.418 9.460 3.609 367 HA ILE 51 HA ILE 51 -8.328 8.952 6.128 368 HB ILE 51 HB ILE 51 -6.539 11.202 5.217 369 HG12 ILE 51 1HG1 ILE 51 -5.925 8.552 6.543 370 HG13 ILE 51 2HG1 ILE 51 -5.749 8.884 4.824 371 HG21 ILE 51 1HG2 ILE 51 -6.572 12.065 7.259 372 HG22 ILE 51 2HG2 ILE 51 -7.778 10.876 7.747 373 HG23 ILE 51 3HG2 ILE 51 -6.061 10.515 7.928 374 HD11 ILE 51 1HD1 ILE 51 -4.241 10.858 5.778 375 HD12 ILE 51 2HD1 ILE 51 -4.059 9.704 7.099 376 HD13 ILE 51 3HD1 ILE 51 -3.614 9.241 5.457 377 H GLY 52 H GLY 52 -10.212 9.512 7.007 378 HA2 GLY 52 1HA GLY 52 -11.239 11.454 8.193 379 HA3 GLY 52 2HA GLY 52 -11.123 12.302 6.659 380 H ARG 53 H ARG 53 -11.878 9.841 5.170 381 HA ARG 53 HA ARG 53 -14.742 10.216 5.372 382 HB2 ARG 53 1HB ARG 53 -13.156 8.467 3.483 383 HB3 ARG 53 2HB ARG 53 -14.858 8.883 3.332 384 HG2 ARG 53 1HG ARG 53 -14.106 11.302 3.203 385 HG3 ARG 53 2HG ARG 53 -12.471 10.670 2.999 386 HD2 ARG 53 1HD ARG 53 -12.913 9.819 0.922 387 HD3 ARG 53 2HD ARG 53 -14.624 9.575 1.268 388 HE ARG 53 HE ARG 53 -15.016 11.616 0.347 389 HH11 ARG 53 2HH1 ARG 53 -11.719 11.535 1.462 390 HH12 ARG 53 1HH1 ARG 53 -11.338 13.113 0.858 391 HH21 ARG 53 2HH2 ARG 53 -14.527 13.696 -0.453 392 HH22 ARG 53 1HH2 ARG 53 -12.936 14.342 -0.230 393 H ALA 54 H ALA 54 -16.259 8.578 5.743 394 HA ALA 54 HA ALA 54 -15.299 6.461 7.493 395 HB1 ALA 54 1HB ALA 54 -17.443 8.079 7.688 396 HB2 ALA 54 2HB ALA 54 -18.183 6.668 6.931 397 HB3 ALA 54 3HB ALA 54 -17.332 6.499 8.466 398 H ASP 55 H ASP 55 -17.164 6.802 4.495 399 HA ASP 55 HA ASP 55 -17.961 4.288 3.936 400 HB2 ASP 55 1HB ASP 55 -17.111 4.878 1.486 401 HB3 ASP 55 2HB ASP 55 -18.480 5.712 2.217 402 H VAL 56 H VAL 56 -14.686 5.510 3.245 403 HA VAL 56 HA VAL 56 -13.548 3.245 2.184 404 HB VAL 56 HB VAL 56 -12.294 5.286 2.244 405 HG11 VAL 56 1HG1 VAL 56 -13.269 5.949 4.517 406 HG12 VAL 56 2HG1 VAL 56 -11.929 5.035 5.212 407 HG13 VAL 56 3HG1 VAL 56 -11.606 6.421 4.170 408 HG21 VAL 56 1HG2 VAL 56 -11.083 3.002 3.765 409 HG22 VAL 56 2HG2 VAL 56 -10.833 3.469 2.082 410 HG23 VAL 56 3HG2 VAL 56 -10.148 4.447 3.380 411 H ASP 57 H ASP 57 -13.895 4.086 5.613 412 HA ASP 57 HA ASP 57 -12.582 1.751 6.574 413 HB2 ASP 57 1HB ASP 57 -14.226 3.928 7.789 414 HB3 ASP 57 2HB ASP 57 -13.974 2.453 8.717 415 H LYS 58 H LYS 58 -16.027 2.685 6.603 416 HA LYS 58 HA LYS 58 -17.166 0.418 7.581 417 HB2 LYS 58 1HB LYS 58 -18.342 2.522 6.835 418 HB3 LYS 58 2HB LYS 58 -18.269 1.900 5.192 419 HG2 LYS 58 1HG LYS 58 -19.591 -0.040 5.864 420 HG3 LYS 58 2HG LYS 58 -19.663 0.583 7.514 421 HD2 LYS 58 1HD LYS 58 -20.699 2.681 6.494 422 HD3 LYS 58 2HD LYS 58 -20.906 1.723 5.025 423 HE2 LYS 58 1HE LYS 58 -22.924 1.352 6.039 424 HE3 LYS 58 2HE LYS 58 -21.994 0.007 6.698 425 HZ1 LYS 58 1HZ LYS 58 -22.252 0.795 8.739 426 HZ2 LYS 58 2HZ LYS 58 -23.338 1.935 8.123 427 HZ3 LYS 58 3HZ LYS 58 -21.704 2.335 8.302 428 H ILE 59 H ILE 59 -16.362 0.987 4.159 429 HA ILE 59 HA ILE 59 -17.222 -1.410 3.093 430 HB ILE 59 HB ILE 59 -14.789 0.192 2.297 431 HG12 ILE 59 1HG1 ILE 59 -17.493 0.170 0.969 432 HG13 ILE 59 2HG1 ILE 59 -17.123 1.271 2.291 433 HG21 ILE 59 1HG2 ILE 59 -16.055 -2.227 1.149 434 HG22 ILE 59 2HG2 ILE 59 -15.516 -0.983 0.023 435 HG23 ILE 59 3HG2 ILE 59 -14.367 -1.717 1.140 436 HD11 ILE 59 1HD1 ILE 59 -16.515 1.512 -0.483 437 HD12 ILE 59 2HD1 ILE 59 -16.272 2.678 0.818 438 HD13 ILE 59 3HD1 ILE 59 -15.017 1.497 0.447 439 H ILE 60 H ILE 60 -13.954 -0.669 4.310 440 HA ILE 60 HA ILE 60 -12.858 -3.209 3.949 441 HB ILE 60 HB ILE 60 -12.189 -1.083 5.981 442 HG12 ILE 60 1HG1 ILE 60 -10.515 -1.877 3.624 443 HG13 ILE 60 2HG1 ILE 60 -11.895 -0.808 3.393 444 HG21 ILE 60 1HG2 ILE 60 -11.279 -2.934 7.006 445 HG22 ILE 60 2HG2 ILE 60 -10.976 -3.762 5.479 446 HG23 ILE 60 3HG2 ILE 60 -9.947 -2.418 5.973 447 HD11 ILE 60 1HD1 ILE 60 -10.744 0.483 5.398 448 HD12 ILE 60 2HD1 ILE 60 -9.312 -0.313 4.744 449 HD13 ILE 60 3HD1 ILE 60 -10.280 0.743 3.716 450 H GLN 61 H GLN 61 -14.469 -1.815 6.792 451 HA GLN 61 HA GLN 61 -14.141 -3.828 8.620 452 HB2 GLN 61 1HB GLN 61 -16.568 -2.104 8.115 453 HB3 GLN 61 2HB GLN 61 -16.390 -3.140 9.525 454 HG2 GLN 61 1HG GLN 61 -14.121 -1.813 9.770 455 HG3 GLN 61 2HG GLN 61 -15.009 -0.607 8.841 456 HE21 GLN 61 1HE2 GLN 61 -17.418 -0.492 9.724 457 HE22 GLN 61 2HE2 GLN 61 -17.513 -0.219 11.427 458 H GLU 62 H GLU 62 -17.055 -3.536 6.578 459 HA GLU 62 HA GLU 62 -17.375 -6.452 6.781 460 HB2 GLU 62 1HB GLU 62 -19.288 -5.291 7.642 461 HB3 GLU 62 2HB GLU 62 -19.369 -4.257 6.223 462 HG2 GLU 62 1HG GLU 62 -20.161 -5.992 4.863 463 HG3 GLU 62 2HG GLU 62 -19.703 -7.229 6.033 464 HA PRO 63 HA PRO 63 -15.994 -5.912 2.442 465 HB2 PRO 63 1HB PRO 63 -14.787 -8.340 2.309 466 HB3 PRO 63 2HB PRO 63 -13.993 -6.907 2.974 467 HG2 PRO 63 1HG PRO 63 -15.345 -9.160 4.408 468 HG3 PRO 63 2HG PRO 63 -13.815 -8.348 4.790 469 HD2 PRO 63 1HD PRO 63 -16.126 -7.786 6.085 470 HD3 PRO 63 2HD PRO 63 -14.869 -6.565 5.801 471 HA PRO 64 HA PRO 64 -19.373 -8.135 0.673 472 HB2 PRO 64 1HB PRO 64 -18.561 -8.141 -1.917 473 HB3 PRO 64 2HB PRO 64 -19.187 -6.698 -1.110 474 HG2 PRO 64 1HG PRO 64 -16.349 -7.498 -1.627 475 HG3 PRO 64 2HG PRO 64 -17.112 -5.908 -1.802 476 HD2 PRO 64 1HD PRO 64 -15.600 -6.569 0.345 477 HD3 PRO 64 2HD PRO 64 -16.978 -5.455 0.454 478 H HIS 65 H HIS 65 -16.062 -9.151 -0.009 479 HA HIS 65 HA HIS 65 -16.639 -11.641 -1.172 480 HB2 HIS 65 1HB HIS 65 -14.366 -12.106 -0.988 481 HB3 HIS 65 2HB HIS 65 -14.388 -10.345 -0.990 482 HD1 HIS 65 1HD HIS 65 -13.543 -9.160 1.086 483 HD2 HIS 65 2HD HIS 65 -13.797 -13.281 1.548 484 HE1 HIS 65 1HE HIS 65 -12.369 -9.667 3.251 485 H LYS 66 H LYS 66 -17.253 -10.570 1.927 486 HA LYS 66 HA LYS 66 -17.304 -13.328 2.968 487 HB2 LYS 66 1HB LYS 66 -16.556 -10.743 4.242 488 HB3 LYS 66 2HB LYS 66 -17.391 -11.928 5.237 489 HG2 LYS 66 1HG LYS 66 -15.036 -12.800 3.640 490 HG3 LYS 66 2HG LYS 66 -14.777 -11.866 5.116 491 HD2 LYS 66 1HD LYS 66 -16.604 -14.233 5.156 492 HD3 LYS 66 2HD LYS 66 -14.856 -14.474 5.213 493 HE2 LYS 66 1HE LYS 66 -15.433 -14.376 7.456 494 HE3 LYS 66 2HE LYS 66 -14.915 -12.726 7.116 495 HZ1 LYS 66 1HZ LYS 66 -17.017 -11.927 7.300 496 HZ2 LYS 66 2HZ LYS 66 -17.161 -13.241 8.355 497 HZ3 LYS 66 3HZ LYS 66 -17.749 -13.359 6.773 498 H LYS 67 H LYS 67 -19.415 -12.766 1.504 499 HA LYS 67 HA LYS 67 -21.587 -12.960 3.293 500 HB2 LYS 67 1HB LYS 67 -22.787 -10.884 2.654 501 HB3 LYS 67 2HB LYS 67 -21.328 -10.576 3.585 502 HG2 LYS 67 1HG LYS 67 -20.196 -9.700 1.772 503 HG3 LYS 67 2HG LYS 67 -21.242 -10.506 0.600 504 HD2 LYS 67 1HD LYS 67 -21.894 -8.261 0.503 505 HD3 LYS 67 2HD LYS 67 -23.110 -9.019 1.534 506 HE2 LYS 67 1HE LYS 67 -22.594 -7.115 2.731 507 HE3 LYS 67 2HE LYS 67 -21.524 -8.306 3.469 508 HZ1 LYS 67 1HZ LYS 67 -20.536 -6.728 1.201 509 HZ2 LYS 67 2HZ LYS 67 -19.684 -7.386 2.504 510 HZ3 LYS 67 3HZ LYS 67 -20.621 -5.995 2.723 511 H SER 68 H SER 68 -23.466 -13.641 2.275 512 HA SER 68 HA SER 68 -23.346 -13.859 -0.659 513 HB2 SER 68 1HB SER 68 -22.776 -16.037 0.192 514 HB3 SER 68 2HB SER 68 -24.125 -16.003 1.328 515 HG SER 68 HG SER 68 -24.166 -16.312 -1.472 516 H GLY 69 H GLY 69 -24.695 -11.871 -0.374 517 HA2 GLY 69 1HA GLY 69 -27.328 -12.123 0.723 518 HA3 GLY 69 2HA GLY 69 -26.727 -10.786 -0.246 519 HA PRO 70 HA PRO 70 -29.857 -13.254 -2.690 520 HB2 PRO 70 1HB PRO 70 -31.478 -11.151 -3.252 521 HB3 PRO 70 2HB PRO 70 -31.652 -12.135 -1.794 522 HG2 PRO 70 1HG PRO 70 -30.329 -9.472 -2.135 523 HG3 PRO 70 2HG PRO 70 -31.398 -10.032 -0.836 524 HD2 PRO 70 1HD PRO 70 -28.705 -9.942 -0.569 525 HD3 PRO 70 2HD PRO 70 -29.704 -11.166 0.240 526 H SER 71 H SER 71 -28.173 -10.218 -3.157 527 HA SER 71 HA SER 71 -28.355 -10.524 -6.070 528 HB2 SER 71 1HB SER 71 -27.847 -8.216 -4.246 529 HB3 SER 71 2HB SER 71 -27.129 -8.175 -5.857 530 HG SER 71 HG SER 71 -29.848 -8.817 -5.547 531 H SER 72 H SER 72 -26.398 -10.162 -7.346 532 HA SER 72 HA SER 72 -24.250 -11.774 -6.413 533 HB2 SER 72 1HB SER 72 -25.070 -11.421 -8.840 534 HB3 SER 72 2HB SER 72 -24.077 -9.964 -8.812 535 HG SER 72 HG SER 72 -23.311 -12.493 -9.185 536 H GLY 73 H GLY 73 -24.632 -8.293 -6.973 537 HA2 GLY 73 1HA GLY 73 -22.654 -7.703 -4.968 538 HA3 GLY 73 2HA GLY 73 -22.102 -7.351 -6.599 Start of MODEL 6 1 H1 GLY 1 H GLY 1 8.162 -10.743 -25.014 2 HA2 GLY 1 1HA GLY 1 5.918 -9.269 -26.005 3 HA3 GLY 1 2HA GLY 1 5.955 -10.259 -24.553 4 H SER 2 H SER 2 5.597 -9.187 -22.739 5 HA SER 2 HA SER 2 6.472 -6.378 -22.575 6 HB2 SER 2 1HB SER 2 3.880 -7.637 -21.702 7 HB3 SER 2 2HB SER 2 4.457 -6.138 -20.974 8 HG SER 2 HG SER 2 4.603 -5.348 -23.208 9 H SER 3 H SER 3 5.292 -8.998 -20.458 10 HA SER 3 HA SER 3 7.547 -8.417 -18.652 11 HB2 SER 3 1HB SER 3 6.074 -8.984 -16.749 12 HB3 SER 3 2HB SER 3 5.470 -7.595 -17.652 13 HG SER 3 HG SER 3 4.567 -10.138 -18.378 14 H GLY 4 H GLY 4 8.805 -10.101 -18.166 15 HA2 GLY 4 1HA GLY 4 8.504 -12.596 -19.420 16 HA3 GLY 4 2HA GLY 4 9.621 -12.245 -18.109 17 H SER 5 H SER 5 9.313 -13.294 -16.263 18 HA SER 5 HA SER 5 7.186 -15.136 -15.951 19 HB2 SER 5 1HB SER 5 9.161 -14.108 -13.898 20 HB3 SER 5 2HB SER 5 8.128 -15.523 -13.702 21 HG SER 5 HG SER 5 10.508 -15.352 -14.897 22 H SER 6 H SER 6 5.611 -15.189 -14.222 23 HA SER 6 HA SER 6 4.750 -12.501 -13.371 24 HB2 SER 6 1HB SER 6 2.416 -13.255 -13.605 25 HB3 SER 6 2HB SER 6 3.277 -13.354 -15.140 26 HG SER 6 HG SER 6 2.303 -15.282 -14.990 27 H GLY 7 H GLY 7 5.444 -12.518 -11.287 28 HA2 GLY 7 1HA GLY 7 4.228 -14.559 -9.542 29 HA3 GLY 7 2HA GLY 7 5.930 -14.155 -9.376 30 H LYS 8 H LYS 8 2.660 -13.109 -8.828 31 HA LYS 8 HA LYS 8 3.531 -11.352 -6.723 32 HB2 LYS 8 1HB LYS 8 3.704 -9.963 -8.826 33 HB3 LYS 8 2HB LYS 8 1.961 -10.130 -8.996 34 HG2 LYS 8 1HG LYS 8 1.803 -9.136 -6.657 35 HG3 LYS 8 2HG LYS 8 3.500 -8.694 -6.859 36 HD2 LYS 8 1HD LYS 8 2.851 -7.519 -8.974 37 HD3 LYS 8 2HD LYS 8 1.163 -7.824 -8.555 38 HE2 LYS 8 1HE LYS 8 1.429 -5.728 -7.673 39 HE3 LYS 8 2HE LYS 8 1.873 -6.712 -6.279 40 HZ1 LYS 8 1HZ LYS 8 3.936 -5.921 -6.318 41 HZ2 LYS 8 2HZ LYS 8 3.390 -4.748 -7.406 42 HZ3 LYS 8 3HZ LYS 8 4.104 -6.168 -7.983 43 H ALA 9 H ALA 9 1.990 -11.107 -5.177 44 HA ALA 9 HA ALA 9 -0.153 -12.847 -5.020 45 HB1 ALA 9 1HB ALA 9 0.697 -11.873 -3.027 46 HB2 ALA 9 2HB ALA 9 0.337 -10.242 -3.594 47 HB3 ALA 9 3HB ALA 9 -0.978 -11.343 -3.184 48 H LYS 10 H LYS 10 -2.281 -12.784 -5.545 49 HA LYS 10 HA LYS 10 -3.189 -10.450 -7.096 50 HB2 LYS 10 1HB LYS 10 -3.728 -13.388 -7.372 51 HB3 LYS 10 2HB LYS 10 -4.883 -12.218 -7.997 52 HG2 LYS 10 1HG LYS 10 -1.978 -12.156 -8.749 53 HG3 LYS 10 2HG LYS 10 -3.165 -13.128 -9.623 54 HD2 LYS 10 1HD LYS 10 -4.494 -10.873 -9.713 55 HD3 LYS 10 2HD LYS 10 -2.905 -10.158 -9.432 56 HE2 LYS 10 1HE LYS 10 -2.068 -10.901 -11.449 57 HE3 LYS 10 2HE LYS 10 -3.231 -12.221 -11.564 58 HZ1 LYS 10 1HZ LYS 10 -4.418 -10.924 -12.889 59 HZ2 LYS 10 2HZ LYS 10 -3.407 -9.596 -12.612 60 HZ3 LYS 10 3HZ LYS 10 -4.714 -9.894 -11.580 61 HA PRO 11 HA PRO 11 -6.304 -9.720 -4.075 62 HB2 PRO 11 1HB PRO 11 -8.103 -8.391 -5.615 63 HB3 PRO 11 2HB PRO 11 -6.583 -7.669 -5.074 64 HG2 PRO 11 1HG PRO 11 -7.260 -8.902 -7.716 65 HG3 PRO 11 2HG PRO 11 -6.357 -7.415 -7.374 66 HD2 PRO 11 1HD PRO 11 -5.137 -9.749 -8.004 67 HD3 PRO 11 2HD PRO 11 -4.410 -8.556 -6.908 68 H VAL 12 H VAL 12 -8.613 -10.105 -3.639 69 HA VAL 12 HA VAL 12 -9.589 -12.464 -5.109 70 HB VAL 12 HB VAL 12 -10.834 -13.048 -3.057 71 HG11 VAL 12 1HG1 VAL 12 -7.852 -12.709 -2.828 72 HG12 VAL 12 2HG1 VAL 12 -8.814 -13.632 -1.671 73 HG13 VAL 12 3HG1 VAL 12 -8.744 -14.133 -3.361 74 HG21 VAL 12 1HG2 VAL 12 -9.626 -11.677 -1.022 75 HG22 VAL 12 2HG2 VAL 12 -9.855 -10.417 -2.235 76 HG23 VAL 12 3HG2 VAL 12 -11.238 -11.346 -1.656 77 H ALA 13 H ALA 13 -10.474 -9.352 -3.743 78 HA ALA 13 HA ALA 13 -12.788 -9.253 -5.499 79 HB1 ALA 13 1HB ALA 13 -12.990 -9.223 -2.509 80 HB2 ALA 13 2HB ALA 13 -14.187 -8.406 -3.515 81 HB3 ALA 13 3HB ALA 13 -13.935 -10.144 -3.679 82 H THR 14 H THR 14 -13.500 -7.153 -5.949 83 HA THR 14 HA THR 14 -11.987 -4.949 -4.738 84 HB THR 14 HB THR 14 -12.402 -5.156 -7.722 85 HG1 THR 14 1HG THR 14 -10.119 -5.790 -6.138 86 HG21 THR 14 1HG2 THR 14 -11.930 -2.969 -7.570 87 HG22 THR 14 2HG2 THR 14 -10.281 -3.479 -7.209 88 HG23 THR 14 3HG2 THR 14 -11.399 -3.113 -5.895 89 H ALA 15 H ALA 15 -13.172 -3.169 -4.345 90 HA ALA 15 HA ALA 15 -15.729 -2.813 -5.726 91 HB1 ALA 15 1HB ALA 15 -16.449 -3.962 -3.795 92 HB2 ALA 15 2HB ALA 15 -15.384 -3.024 -2.746 93 HB3 ALA 15 3HB ALA 15 -16.785 -2.257 -3.495 94 HA PRO 16 HA PRO 16 -14.145 1.326 -5.870 95 HB2 PRO 16 1HB PRO 16 -16.354 2.478 -6.949 96 HB3 PRO 16 2HB PRO 16 -15.226 1.495 -7.891 97 HG2 PRO 16 1HG PRO 16 -17.861 0.730 -6.693 98 HG3 PRO 16 2HG PRO 16 -17.204 0.340 -8.293 99 HD2 PRO 16 1HD PRO 16 -17.167 -1.418 -6.234 100 HD3 PRO 16 2HD PRO 16 -15.900 -1.377 -7.477 101 H ILE 17 H ILE 17 -14.039 2.790 -4.293 102 HA ILE 17 HA ILE 17 -15.936 2.810 -2.152 103 HB ILE 17 HB ILE 17 -13.637 4.690 -2.708 104 HG12 ILE 17 1HG1 ILE 17 -13.878 2.077 -1.261 105 HG13 ILE 17 2HG1 ILE 17 -12.625 2.622 -2.370 106 HG21 ILE 17 1HG2 ILE 17 -13.873 5.533 -0.535 107 HG22 ILE 17 2HG2 ILE 17 -15.516 5.483 -1.172 108 HG23 ILE 17 3HG2 ILE 17 -14.965 4.234 -0.055 109 HD11 ILE 17 1HD1 ILE 17 -11.798 2.464 -0.092 110 HD12 ILE 17 2HD1 ILE 17 -11.767 4.132 -0.665 111 HD13 ILE 17 3HD1 ILE 17 -13.032 3.603 0.445 112 HA PRO 18 HA PRO 18 -18.734 5.831 -3.740 113 HB2 PRO 18 1HB PRO 18 -19.908 6.535 -1.396 114 HB3 PRO 18 2HB PRO 18 -20.239 5.004 -2.214 115 HG2 PRO 18 1HG PRO 18 -18.412 5.563 0.090 116 HG3 PRO 18 2HG PRO 18 -19.537 4.213 -0.143 117 HD2 PRO 18 1HD PRO 18 -16.876 3.985 -0.587 118 HD3 PRO 18 2HD PRO 18 -18.081 3.072 -1.518 119 H GLY 19 H GLY 19 -18.239 7.834 -4.360 120 HA2 GLY 19 1HA GLY 19 -17.944 10.147 -3.965 121 HA3 GLY 19 2HA GLY 19 -17.342 9.771 -2.357 122 H THR 20 H THR 20 -15.315 8.076 -2.738 123 HA THR 20 HA THR 20 -13.375 9.743 -4.151 124 HB THR 20 HB THR 20 -11.738 8.921 -2.769 125 HG1 THR 20 1HG THR 20 -12.647 6.698 -1.657 126 HG21 THR 20 1HG2 THR 20 -13.305 9.989 -1.299 127 HG22 THR 20 2HG2 THR 20 -12.684 8.555 -0.480 128 HG23 THR 20 3HG2 THR 20 -14.290 8.529 -1.208 129 HA PRO 21 HA PRO 21 -12.898 6.975 -7.535 130 HB2 PRO 21 1HB PRO 21 -10.326 7.513 -8.215 131 HB3 PRO 21 2HB PRO 21 -11.657 8.632 -8.532 132 HG2 PRO 21 1HG PRO 21 -9.654 8.652 -6.307 133 HG3 PRO 21 2HG PRO 21 -10.263 10.006 -7.277 134 HD2 PRO 21 1HD PRO 21 -11.174 9.476 -4.783 135 HD3 PRO 21 2HD PRO 21 -12.204 10.180 -6.046 136 H TRP 22 H TRP 22 -11.331 6.575 -4.600 137 HA TRP 22 HA TRP 22 -9.503 4.498 -5.263 138 HB2 TRP 22 1HB TRP 22 -10.767 5.372 -2.667 139 HB3 TRP 22 2HB TRP 22 -9.641 4.020 -2.761 140 HD1 TRP 22 HD TRP 22 -9.775 7.812 -2.831 141 HE1 TRP 22 1HE TRP 22 -7.375 8.740 -2.766 142 HE3 TRP 22 3HE TRP 22 -7.198 3.447 -3.495 143 HZ2 TRP 22 2HZ TRP 22 -4.739 7.752 -2.969 144 HZ3 TRP 22 3HZ TRP 22 -4.740 3.525 -3.549 145 HH2 TRP 22 HH TRP 22 -3.537 5.634 -3.292 146 H CYS 23 H CYS 23 -9.695 2.247 -4.586 147 HA CYS 23 HA CYS 23 -12.438 1.243 -4.397 148 HB2 CYS 23 1HB CYS 23 -10.438 0.083 -6.341 149 HB3 CYS 23 2HB CYS 23 -12.130 -0.363 -6.157 150 HG CYS 23 HG CYS 23 -12.601 2.602 -6.819 151 H VAL 24 H VAL 24 -12.540 -0.026 -2.677 152 HA VAL 24 HA VAL 24 -10.286 -0.981 -1.283 153 HB VAL 24 HB VAL 24 -13.151 -1.924 -1.087 154 HG11 VAL 24 1HG1 VAL 24 -10.691 -2.619 0.371 155 HG12 VAL 24 2HG1 VAL 24 -12.096 -2.265 1.378 156 HG13 VAL 24 3HG1 VAL 24 -12.182 -3.534 0.156 157 HG21 VAL 24 1HG2 VAL 24 -12.933 -0.394 1.032 158 HG22 VAL 24 2HG2 VAL 24 -11.667 0.385 0.082 159 HG23 VAL 24 3HG2 VAL 24 -13.315 0.304 -0.542 160 H VAL 25 H VAL 25 -8.971 -2.573 -1.850 161 HA VAL 25 HA VAL 25 -10.060 -4.817 -3.420 162 HB VAL 25 HB VAL 25 -7.198 -3.855 -3.300 163 HG11 VAL 25 1HG1 VAL 25 -8.526 -6.004 -4.946 164 HG12 VAL 25 2HG1 VAL 25 -6.885 -5.408 -5.208 165 HG13 VAL 25 3HG1 VAL 25 -7.297 -6.227 -3.701 166 HG21 VAL 25 1HG2 VAL 25 -7.551 -3.071 -5.581 167 HG22 VAL 25 2HG2 VAL 25 -9.238 -3.579 -5.507 168 HG23 VAL 25 3HG2 VAL 25 -8.664 -2.275 -4.467 169 H TRP 26 H TRP 26 -9.869 -6.846 -2.661 170 HA TRP 26 HA TRP 26 -8.508 -7.186 -0.075 171 HB2 TRP 26 1HB TRP 26 -10.853 -8.617 -1.320 172 HB3 TRP 26 2HB TRP 26 -9.993 -9.261 0.076 173 HD1 TRP 26 HD TRP 26 -10.338 -8.028 2.411 174 HE1 TRP 26 1HE TRP 26 -12.104 -6.348 3.237 175 HE3 TRP 26 3HE TRP 26 -12.309 -6.641 -2.097 176 HZ2 TRP 26 2HZ TRP 26 -14.073 -4.659 2.124 177 HZ3 TRP 26 3HZ TRP 26 -14.132 -4.988 -2.129 178 HH2 TRP 26 HH TRP 26 -14.994 -4.019 -0.061 179 H THR 27 H THR 27 -7.569 -9.361 0.321 180 HA THR 27 HA THR 27 -6.528 -10.600 -2.136 181 HB THR 27 HB THR 27 -4.336 -10.913 -0.961 182 HG1 THR 27 1HG THR 27 -3.943 -9.637 0.869 183 HG21 THR 27 1HG2 THR 27 -3.523 -8.662 -1.397 184 HG22 THR 27 2HG2 THR 27 -5.172 -8.037 -1.355 185 HG23 THR 27 3HG2 THR 27 -4.679 -9.139 -2.640 186 H GLY 28 H GLY 28 -5.115 -12.646 -1.258 187 HA2 GLY 28 1HA GLY 28 -7.121 -14.348 -0.041 188 HA3 GLY 28 2HA GLY 28 -5.586 -14.864 -0.723 189 H ASP 29 H ASP 29 -4.413 -12.574 1.028 190 HA ASP 29 HA ASP 29 -3.965 -14.300 3.339 191 HB2 ASP 29 1HB ASP 29 -2.152 -13.022 1.914 192 HB3 ASP 29 2HB ASP 29 -2.575 -11.677 2.970 193 H GLU 30 H GLU 30 -6.506 -13.221 3.292 194 HA GLU 30 HA GLU 30 -7.985 -11.853 4.393 195 HB2 GLU 30 1HB GLU 30 -6.020 -12.731 6.495 196 HB3 GLU 30 2HB GLU 30 -7.431 -11.766 6.907 197 HG2 GLU 30 1HG GLU 30 -8.914 -13.458 6.326 198 HG3 GLU 30 2HG GLU 30 -7.710 -14.313 5.363 199 H ARG 31 H ARG 31 -6.145 -10.320 2.969 200 HA ARG 31 HA ARG 31 -5.830 -7.999 4.755 201 HB2 ARG 31 1HB ARG 31 -3.922 -9.209 2.821 202 HB3 ARG 31 2HB ARG 31 -3.963 -7.454 2.923 203 HG2 ARG 31 1HG ARG 31 -3.767 -9.017 5.444 204 HG3 ARG 31 2HG ARG 31 -2.339 -8.874 4.417 205 HD2 ARG 31 1HD ARG 31 -2.157 -6.615 4.751 206 HD3 ARG 31 2HD ARG 31 -3.884 -6.410 5.041 207 HE ARG 31 HE ARG 31 -2.920 -7.904 7.152 208 HH11 ARG 31 2HH1 ARG 31 -2.349 -4.752 5.790 209 HH12 ARG 31 1HH1 ARG 31 -1.907 -4.034 7.304 210 HH21 ARG 31 2HH2 ARG 31 -2.341 -6.971 9.151 211 HH22 ARG 31 1HH2 ARG 31 -1.902 -5.298 9.215 212 H VAL 32 H VAL 32 -5.782 -5.902 3.554 213 HA VAL 32 HA VAL 32 -7.134 -5.900 0.979 214 HB VAL 32 HB VAL 32 -9.011 -5.968 2.527 215 HG11 VAL 32 1HG1 VAL 32 -8.709 -5.108 4.561 216 HG12 VAL 32 2HG1 VAL 32 -7.359 -4.108 4.020 217 HG13 VAL 32 3HG1 VAL 32 -9.016 -3.531 3.835 218 HG21 VAL 32 1HG2 VAL 32 -9.629 -4.745 0.682 219 HG22 VAL 32 2HG2 VAL 32 -9.929 -3.577 1.968 220 HG23 VAL 32 3HG2 VAL 32 -8.458 -3.466 1.002 221 H PHE 33 H PHE 33 -6.637 -4.151 -0.242 222 HA PHE 33 HA PHE 33 -5.246 -1.912 1.062 223 HB2 PHE 33 1HB PHE 33 -3.630 -1.836 -0.775 224 HB3 PHE 33 2HB PHE 33 -3.570 -3.395 0.041 225 HD1 PHE 33 2HD PHE 33 -4.491 -1.637 -3.028 226 HD2 PHE 33 1HD PHE 33 -4.299 -5.410 -1.066 227 HE1 PHE 33 2HE PHE 33 -4.824 -2.772 -5.185 228 HE2 PHE 33 1HE PHE 33 -4.632 -6.551 -3.220 229 HZ PHE 33 HZ PHE 33 -4.896 -5.232 -5.283 230 H PHE 34 H PHE 34 -4.984 -0.043 -0.572 231 HA PHE 34 HA PHE 34 -7.583 0.317 -1.896 232 HB2 PHE 34 1HB PHE 34 -5.648 2.509 -1.155 233 HB3 PHE 34 2HB PHE 34 -7.360 2.656 -1.538 234 HD1 PHE 34 2HD PHE 34 -4.957 1.443 0.988 235 HD2 PHE 34 1HD PHE 34 -9.010 2.421 0.128 236 HE1 PHE 34 2HE PHE 34 -5.499 1.289 3.383 237 HE2 PHE 34 1HE PHE 34 -9.558 2.269 2.522 238 HZ PHE 34 HZ PHE 34 -7.802 1.701 4.153 239 H TYR 35 H TYR 35 -7.720 0.728 -4.028 240 HA TYR 35 HA TYR 35 -5.222 1.214 -5.506 241 HB2 TYR 35 1HB TYR 35 -5.655 -1.059 -5.953 242 HB3 TYR 35 2HB TYR 35 -7.390 -0.792 -6.086 243 HD1 TYR 35 1HD TYR 35 -4.173 0.094 -7.752 244 HD2 TYR 35 2HD TYR 35 -8.356 -0.554 -8.187 245 HE1 TYR 35 1HE TYR 35 -3.946 0.306 -10.192 246 HE2 TYR 35 2HE TYR 35 -8.140 -0.346 -10.628 247 HH TYR 35 HH TYR 35 -6.725 0.455 -12.289 248 H ASN 36 H ASN 36 -5.300 2.780 -7.013 249 HA ASN 36 HA ASN 36 -7.904 4.071 -7.469 250 HB2 ASN 36 1HB ASN 36 -6.088 5.416 -6.361 251 HB3 ASN 36 2HB ASN 36 -5.164 5.288 -7.855 252 HD21 ASN 36 1HD2 ASN 36 -6.975 7.328 -6.177 253 HD22 ASN 36 2HD2 ASN 36 -7.696 8.249 -7.449 254 HA PRO 37 HA PRO 37 -7.219 2.269 -11.570 255 HB2 PRO 37 1HB PRO 37 -9.813 2.506 -12.335 256 HB3 PRO 37 2HB PRO 37 -9.226 1.177 -11.329 257 HG2 PRO 37 1HG PRO 37 -10.643 3.685 -10.516 258 HG3 PRO 37 2HG PRO 37 -10.894 2.024 -9.948 259 HD2 PRO 37 1HD PRO 37 -9.477 3.848 -8.535 260 HD3 PRO 37 2HD PRO 37 -9.101 2.113 -8.503 261 H THR 38 H THR 38 -7.932 5.359 -10.501 262 HA THR 38 HA THR 38 -8.335 6.479 -13.167 263 HB THR 38 HB THR 38 -8.161 8.005 -10.569 264 HG1 THR 38 1HG THR 38 -9.968 6.231 -11.137 265 HG21 THR 38 1HG2 THR 38 -7.938 9.384 -12.547 266 HG22 THR 38 2HG2 THR 38 -9.524 9.653 -11.824 267 HG23 THR 38 3HG2 THR 38 -9.370 8.644 -13.262 268 H THR 39 H THR 39 -5.939 6.319 -10.614 269 HA THR 39 HA THR 39 -4.051 7.749 -12.371 270 HB THR 39 HB THR 39 -2.846 8.514 -10.394 271 HG1 THR 39 1HG THR 39 -4.943 7.583 -8.746 272 HG21 THR 39 1HG2 THR 39 -5.745 9.175 -9.940 273 HG22 THR 39 2HG2 THR 39 -4.860 9.772 -11.344 274 HG23 THR 39 3HG2 THR 39 -4.334 10.208 -9.719 275 H ARG 40 H ARG 40 -4.821 4.787 -11.691 276 HA ARG 40 HA ARG 40 -3.768 2.778 -11.425 277 HB2 ARG 40 1HB ARG 40 -1.468 4.211 -12.762 278 HB3 ARG 40 2HB ARG 40 -1.783 2.481 -12.766 279 HG2 ARG 40 1HG ARG 40 -3.877 2.914 -14.018 280 HG3 ARG 40 2HG ARG 40 -3.428 4.618 -14.101 281 HD2 ARG 40 1HD ARG 40 -2.825 3.419 -16.150 282 HD3 ARG 40 2HD ARG 40 -1.403 4.046 -15.317 283 HE ARG 40 HE ARG 40 -2.116 1.268 -15.707 284 HH11 ARG 40 2HH1 ARG 40 -0.155 3.563 -13.972 285 HH12 ARG 40 1HH1 ARG 40 1.043 2.396 -13.522 286 HH21 ARG 40 2HH2 ARG 40 -0.545 -0.278 -15.121 287 HH22 ARG 40 1HH2 ARG 40 0.821 0.211 -14.177 288 H LEU 41 H LEU 41 -3.569 4.484 -9.165 289 HA LEU 41 HA LEU 41 -0.855 3.999 -8.165 290 HB2 LEU 41 1HB LEU 41 -2.083 6.266 -8.016 291 HB3 LEU 41 2HB LEU 41 -2.986 5.514 -6.702 292 HG LEU 41 HG LEU 41 -1.119 6.918 -5.914 293 HD11 LEU 41 1HD1 LEU 41 -0.478 5.485 -4.215 294 HD12 LEU 41 2HD1 LEU 41 -0.425 4.080 -5.278 295 HD13 LEU 41 3HD1 LEU 41 -1.978 4.754 -4.785 296 HD21 LEU 41 1HD2 LEU 41 0.756 4.850 -7.011 297 HD22 LEU 41 2HD2 LEU 41 1.123 6.450 -6.366 298 HD23 LEU 41 3HD2 LEU 41 0.330 6.292 -7.934 299 H SER 42 H SER 42 -0.446 2.450 -6.725 300 HA SER 42 HA SER 42 -2.700 1.277 -5.238 301 HB2 SER 42 1HB SER 42 -1.938 -0.937 -5.652 302 HB3 SER 42 2HB SER 42 -1.920 -0.127 -7.219 303 HG SER 42 HG SER 42 0.360 0.278 -6.785 304 H MET 43 H MET 43 -2.379 1.594 -3.146 305 HA MET 43 HA MET 43 0.383 1.556 -2.121 306 HB2 MET 43 1HB MET 43 -1.943 2.839 -0.710 307 HB3 MET 43 2HB MET 43 -0.224 3.114 -0.459 308 HG2 MET 43 1HG MET 43 -0.367 3.916 -2.978 309 HG3 MET 43 2HG MET 43 -2.043 4.208 -2.523 310 HE1 MET 43 1HE MET 43 -0.523 4.758 0.846 311 HE2 MET 43 2HE MET 43 -1.271 6.355 0.795 312 HE3 MET 43 3HE MET 43 -2.167 4.942 0.234 313 H TRP 44 H TRP 44 0.454 0.945 0.281 314 HA TRP 44 HA TRP 44 -1.172 -1.480 0.632 315 HB2 TRP 44 1HB TRP 44 1.632 -0.767 1.324 316 HB3 TRP 44 2HB TRP 44 0.777 -1.840 2.429 317 HD1 TRP 44 HD TRP 44 2.903 -1.983 -0.523 318 HE1 TRP 44 1HE TRP 44 2.725 -4.267 -1.697 319 HE3 TRP 44 3HE TRP 44 -1.307 -3.753 1.777 320 HZ2 TRP 44 2HZ TRP 44 1.025 -6.520 -1.655 321 HZ3 TRP 44 3HZ TRP 44 -2.143 -5.981 1.152 322 HH2 TRP 44 HH TRP 44 -1.001 -7.334 -0.529 323 H ASP 45 H ASP 45 -0.885 1.651 1.722 324 HA ASP 45 HA ASP 45 -2.194 0.963 4.271 325 HB2 ASP 45 1HB ASP 45 -0.107 3.035 3.667 326 HB3 ASP 45 2HB ASP 45 -1.240 3.282 4.993 327 H ARG 46 H ARG 46 -3.163 3.288 5.103 328 HA ARG 46 HA ARG 46 -5.168 3.907 3.082 329 HB2 ARG 46 1HB ARG 46 -5.540 3.367 5.638 330 HB3 ARG 46 2HB ARG 46 -5.207 5.083 5.829 331 HG2 ARG 46 1HG ARG 46 -7.202 4.290 3.785 332 HG3 ARG 46 2HG ARG 46 -7.656 4.149 5.484 333 HD2 ARG 46 1HD ARG 46 -6.378 6.666 4.525 334 HD3 ARG 46 2HD ARG 46 -8.076 6.373 4.153 335 HE ARG 46 HE ARG 46 -6.929 6.940 6.749 336 HH11 ARG 46 2HH1 ARG 46 -9.673 5.749 4.968 337 HH12 ARG 46 1HH1 ARG 46 -10.797 6.034 6.255 338 HH21 ARG 46 2HH2 ARG 46 -8.399 7.320 8.451 339 HH22 ARG 46 1HH2 ARG 46 -10.071 6.929 8.235 340 HA PRO 47 HA PRO 47 -2.767 7.593 2.146 341 HB2 PRO 47 1HB PRO 47 -4.237 8.272 -0.034 342 HB3 PRO 47 2HB PRO 47 -2.987 7.022 -0.069 343 HG2 PRO 47 1HG PRO 47 -5.956 6.725 0.166 344 HG3 PRO 47 2HG PRO 47 -4.812 5.790 -0.815 345 HD2 PRO 47 1HD PRO 47 -5.785 4.886 1.544 346 HD3 PRO 47 2HD PRO 47 -4.155 4.485 0.967 347 H ASP 48 H ASP 48 -3.173 9.837 2.215 348 HA ASP 48 HA ASP 48 -5.095 10.697 4.034 349 HB2 ASP 48 1HB ASP 48 -3.250 12.037 2.126 350 HB3 ASP 48 2HB ASP 48 -4.572 13.004 2.776 351 H ASP 49 H ASP 49 -5.139 10.755 0.495 352 HA ASP 49 HA ASP 49 -7.309 12.239 -0.112 353 HB2 ASP 49 1HB ASP 49 -6.535 9.542 -1.229 354 HB3 ASP 49 2HB ASP 49 -7.802 10.543 -1.933 355 H LEU 50 H LEU 50 -7.311 9.287 1.687 356 HA LEU 50 HA LEU 50 -10.254 9.234 1.654 357 HB2 LEU 50 1HB LEU 50 -8.229 7.103 2.299 358 HB3 LEU 50 2HB LEU 50 -9.952 6.927 2.623 359 HG LEU 50 HG LEU 50 -8.740 7.333 -0.111 360 HD11 LEU 50 1HD1 LEU 50 -9.847 4.862 -0.130 361 HD12 LEU 50 2HD1 LEU 50 -9.222 4.937 1.517 362 HD13 LEU 50 3HD1 LEU 50 -8.136 5.187 0.150 363 HD21 LEU 50 1HD2 LEU 50 -11.395 6.199 0.027 364 HD22 LEU 50 2HD2 LEU 50 -10.807 7.585 -0.892 365 HD23 LEU 50 3HD2 LEU 50 -11.331 7.792 0.780 366 H ILE 51 H ILE 51 -7.417 9.390 3.704 367 HA ILE 51 HA ILE 51 -8.336 8.940 6.210 368 HB ILE 51 HB ILE 51 -6.554 11.197 5.300 369 HG12 ILE 51 1HG1 ILE 51 -5.924 8.546 6.618 370 HG13 ILE 51 2HG1 ILE 51 -5.757 8.881 4.898 371 HG21 ILE 51 1HG2 ILE 51 -7.631 11.692 7.480 372 HG22 ILE 51 2HG2 ILE 51 -6.938 10.203 8.119 373 HG23 ILE 51 3HG2 ILE 51 -5.881 11.510 7.586 374 HD11 ILE 51 1HD1 ILE 51 -4.270 10.876 5.908 375 HD12 ILE 51 2HD1 ILE 51 -4.039 9.649 7.155 376 HD13 ILE 51 3HD1 ILE 51 -3.629 9.290 5.478 377 H GLY 52 H GLY 52 -10.206 9.508 7.109 378 HA2 GLY 52 1HA GLY 52 -11.231 11.466 8.275 379 HA3 GLY 52 2HA GLY 52 -11.140 12.285 6.723 380 H ARG 53 H ARG 53 -11.894 9.791 5.290 381 HA ARG 53 HA ARG 53 -14.760 10.142 5.534 382 HB2 ARG 53 1HB ARG 53 -13.109 8.485 3.617 383 HB3 ARG 53 2HB ARG 53 -14.854 8.683 3.527 384 HG2 ARG 53 1HG ARG 53 -14.413 11.177 3.350 385 HG3 ARG 53 2HG ARG 53 -12.723 10.746 3.081 386 HD2 ARG 53 1HD ARG 53 -13.158 9.765 1.045 387 HD3 ARG 53 2HD ARG 53 -14.837 9.415 1.454 388 HE ARG 53 HE ARG 53 -15.423 11.463 0.623 389 HH11 ARG 53 2HH1 ARG 53 -11.987 11.410 1.186 390 HH12 ARG 53 1HH1 ARG 53 -11.709 12.945 0.433 391 HH21 ARG 53 2HH2 ARG 53 -15.068 13.485 -0.371 392 HH22 ARG 53 1HH2 ARG 53 -13.462 14.125 -0.452 393 H ALA 54 H ALA 54 -16.224 8.618 6.177 394 HA ALA 54 HA ALA 54 -15.173 6.432 7.774 395 HB1 ALA 54 1HB ALA 54 -17.558 8.046 7.777 396 HB2 ALA 54 2HB ALA 54 -17.960 6.329 7.843 397 HB3 ALA 54 3HB ALA 54 -16.887 7.031 9.054 398 H ASP 55 H ASP 55 -17.171 6.907 4.903 399 HA ASP 55 HA ASP 55 -18.149 4.398 4.441 400 HB2 ASP 55 1HB ASP 55 -16.986 6.315 2.410 401 HB3 ASP 55 2HB ASP 55 -17.994 4.927 2.013 402 H VAL 56 H VAL 56 -14.942 5.592 3.456 403 HA VAL 56 HA VAL 56 -13.963 3.350 2.199 404 HB VAL 56 HB VAL 56 -12.660 5.353 2.190 405 HG11 VAL 56 1HG1 VAL 56 -13.413 6.016 4.531 406 HG12 VAL 56 2HG1 VAL 56 -12.072 5.030 5.119 407 HG13 VAL 56 3HG1 VAL 56 -11.757 6.420 4.078 408 HG21 VAL 56 1HG2 VAL 56 -10.435 4.475 3.056 409 HG22 VAL 56 2HG2 VAL 56 -11.328 3.055 3.599 410 HG23 VAL 56 3HG2 VAL 56 -11.284 3.466 1.885 411 H ASP 57 H ASP 57 -14.030 4.047 5.669 412 HA ASP 57 HA ASP 57 -12.615 1.706 6.444 413 HB2 ASP 57 1HB ASP 57 -12.996 3.860 7.797 414 HB3 ASP 57 2HB ASP 57 -14.572 3.182 8.194 415 H LYS 58 H LYS 58 -16.075 2.546 6.675 416 HA LYS 58 HA LYS 58 -17.129 0.249 7.654 417 HB2 LYS 58 1HB LYS 58 -18.552 2.115 7.149 418 HB3 LYS 58 2HB LYS 58 -18.199 1.990 5.430 419 HG2 LYS 58 1HG LYS 58 -19.285 -0.288 5.500 420 HG3 LYS 58 2HG LYS 58 -19.842 0.129 7.122 421 HD2 LYS 58 1HD LYS 58 -20.849 2.214 6.086 422 HD3 LYS 58 2HD LYS 58 -20.522 1.476 4.517 423 HE2 LYS 58 1HE LYS 58 -22.028 -0.030 6.620 424 HE3 LYS 58 2HE LYS 58 -22.851 1.162 5.617 425 HZ1 LYS 58 1HZ LYS 58 -21.291 -1.125 4.546 426 HZ2 LYS 58 2HZ LYS 58 -22.245 -0.045 3.661 427 HZ3 LYS 58 3HZ LYS 58 -22.972 -1.127 4.739 428 H ILE 59 H ILE 59 -16.579 0.847 4.180 429 HA ILE 59 HA ILE 59 -17.353 -1.588 3.170 430 HB ILE 59 HB ILE 59 -15.028 0.103 2.243 431 HG12 ILE 59 1HG1 ILE 59 -17.850 -0.001 1.170 432 HG13 ILE 59 2HG1 ILE 59 -17.315 1.181 2.359 433 HG21 ILE 59 1HG2 ILE 59 -14.624 -1.409 0.672 434 HG22 ILE 59 2HG2 ILE 59 -15.820 -2.473 1.411 435 HG23 ILE 59 3HG2 ILE 59 -16.305 -1.347 0.144 436 HD11 ILE 59 1HD1 ILE 59 -15.746 2.110 0.805 437 HD12 ILE 59 2HD1 ILE 59 -16.098 0.842 -0.370 438 HD13 ILE 59 3HD1 ILE 59 -17.334 2.031 0.042 439 H ILE 60 H ILE 60 -14.100 -0.703 4.315 440 HA ILE 60 HA ILE 60 -12.893 -3.191 3.863 441 HB ILE 60 HB ILE 60 -12.240 -1.026 5.857 442 HG12 ILE 60 1HG1 ILE 60 -10.716 -1.828 3.384 443 HG13 ILE 60 2HG1 ILE 60 -12.034 -0.662 3.326 444 HG21 ILE 60 1HG2 ILE 60 -11.410 -3.139 6.717 445 HG22 ILE 60 2HG2 ILE 60 -10.641 -3.487 5.170 446 HG23 ILE 60 3HG2 ILE 60 -10.072 -2.139 6.154 447 HD11 ILE 60 1HD1 ILE 60 -9.471 0.018 3.652 448 HD12 ILE 60 2HD1 ILE 60 -10.814 0.960 4.301 449 HD13 ILE 60 3HD1 ILE 60 -9.943 -0.166 5.342 450 H GLN 61 H GLN 61 -14.692 -1.942 6.625 451 HA GLN 61 HA GLN 61 -14.122 -4.016 8.432 452 HB2 GLN 61 1HB GLN 61 -16.564 -2.248 8.219 453 HB3 GLN 61 2HB GLN 61 -16.198 -3.283 9.592 454 HG2 GLN 61 1HG GLN 61 -13.925 -1.933 9.536 455 HG3 GLN 61 2HG GLN 61 -14.948 -0.734 8.746 456 HE21 GLN 61 1HE2 GLN 61 -17.053 -0.311 9.902 457 HE22 GLN 61 2HE2 GLN 61 -16.981 -0.185 11.624 458 H GLU 62 H GLU 62 -16.909 -3.569 6.259 459 HA GLU 62 HA GLU 62 -17.485 -6.443 6.561 460 HB2 GLU 62 1HB GLU 62 -19.337 -5.172 7.381 461 HB3 GLU 62 2HB GLU 62 -19.318 -4.120 5.973 462 HG2 GLU 62 1HG GLU 62 -20.220 -5.764 4.584 463 HG3 GLU 62 2HG GLU 62 -19.837 -7.058 5.718 464 HA PRO 63 HA PRO 63 -16.005 -6.026 2.241 465 HB2 PRO 63 1HB PRO 63 -14.953 -8.527 2.144 466 HB3 PRO 63 2HB PRO 63 -14.080 -7.143 2.812 467 HG2 PRO 63 1HG PRO 63 -15.595 -9.294 4.240 468 HG3 PRO 63 2HG PRO 63 -14.023 -8.578 4.640 469 HD2 PRO 63 1HD PRO 63 -16.313 -7.859 5.894 470 HD3 PRO 63 2HD PRO 63 -14.976 -6.723 5.621 471 HA PRO 64 HA PRO 64 -19.489 -8.044 0.432 472 HB2 PRO 64 1HB PRO 64 -18.636 -8.128 -2.144 473 HB3 PRO 64 2HB PRO 64 -19.180 -6.640 -1.360 474 HG2 PRO 64 1HG PRO 64 -16.392 -7.628 -1.821 475 HG3 PRO 64 2HG PRO 64 -17.048 -5.993 -2.023 476 HD2 PRO 64 1HD PRO 64 -15.617 -6.730 0.155 477 HD3 PRO 64 2HD PRO 64 -16.921 -5.527 0.231 478 H HIS 65 H HIS 65 -16.328 -9.229 -0.730 479 HA HIS 65 HA HIS 65 -17.039 -11.685 -1.695 480 HB2 HIS 65 1HB HIS 65 -14.800 -12.300 -1.534 481 HB3 HIS 65 2HB HIS 65 -14.706 -10.541 -1.514 482 HD1 HIS 65 1HD HIS 65 -13.854 -9.428 0.619 483 HD2 HIS 65 2HD HIS 65 -14.210 -13.556 0.934 484 HE1 HIS 65 1HE HIS 65 -12.681 -10.043 2.758 485 H LYS 66 H LYS 66 -16.887 -10.664 1.628 486 HA LYS 66 HA LYS 66 -16.949 -13.280 2.773 487 HB2 LYS 66 1HB LYS 66 -17.269 -10.492 3.779 488 HB3 LYS 66 2HB LYS 66 -17.873 -11.803 4.783 489 HG2 LYS 66 1HG LYS 66 -15.061 -11.671 3.723 490 HG3 LYS 66 2HG LYS 66 -15.551 -11.062 5.305 491 HD2 LYS 66 1HD LYS 66 -16.280 -13.854 4.581 492 HD3 LYS 66 2HD LYS 66 -14.599 -13.510 4.995 493 HE2 LYS 66 1HE LYS 66 -15.110 -12.946 7.167 494 HE3 LYS 66 2HE LYS 66 -16.766 -12.491 6.771 495 HZ1 LYS 66 1HZ LYS 66 -17.470 -14.662 6.816 496 HZ2 LYS 66 2HZ LYS 66 -16.305 -14.680 8.042 497 HZ3 LYS 66 3HZ LYS 66 -15.933 -15.299 6.512 498 H LYS 67 H LYS 67 -19.428 -10.723 2.532 499 HA LYS 67 HA LYS 67 -21.546 -12.434 3.357 500 HB2 LYS 67 1HB LYS 67 -22.971 -10.603 3.017 501 HB3 LYS 67 2HB LYS 67 -21.437 -9.872 3.471 502 HG2 LYS 67 1HG LYS 67 -20.960 -9.303 1.196 503 HG3 LYS 67 2HG LYS 67 -22.368 -10.203 0.629 504 HD2 LYS 67 1HD LYS 67 -23.743 -8.627 2.101 505 HD3 LYS 67 2HD LYS 67 -22.286 -7.634 2.186 506 HE2 LYS 67 1HE LYS 67 -23.536 -6.740 0.409 507 HE3 LYS 67 2HE LYS 67 -22.280 -7.710 -0.357 508 HZ1 LYS 67 1HZ LYS 67 -24.206 -9.516 -0.145 509 HZ2 LYS 67 2HZ LYS 67 -24.037 -8.508 -1.493 510 HZ3 LYS 67 3HZ LYS 67 -25.157 -8.123 -0.285 511 H SER 68 H SER 68 -23.559 -12.630 1.900 512 HA SER 68 HA SER 68 -23.189 -12.832 -0.913 513 HB2 SER 68 1HB SER 68 -23.123 -15.190 -1.217 514 HB3 SER 68 2HB SER 68 -21.881 -14.830 -0.018 515 HG SER 68 HG SER 68 -24.370 -16.078 0.308 516 H GLY 69 H GLY 69 -25.104 -13.661 -2.012 517 HA2 GLY 69 1HA GLY 69 -27.422 -14.612 -0.924 518 HA3 GLY 69 2HA GLY 69 -27.496 -12.882 -0.624 519 HA PRO 70 HA PRO 70 -28.618 -14.182 -5.130 520 HB2 PRO 70 1HB PRO 70 -31.265 -14.735 -4.892 521 HB3 PRO 70 2HB PRO 70 -30.010 -15.973 -4.764 522 HG2 PRO 70 1HG PRO 70 -31.491 -14.544 -2.589 523 HG3 PRO 70 2HG PRO 70 -31.077 -16.264 -2.718 524 HD2 PRO 70 1HD PRO 70 -29.665 -14.537 -1.183 525 HD3 PRO 70 2HD PRO 70 -28.915 -15.928 -1.994 526 H SER 71 H SER 71 -30.287 -13.051 -6.498 527 HA SER 71 HA SER 71 -31.237 -10.566 -5.246 528 HB2 SER 71 1HB SER 71 -29.054 -10.320 -6.582 529 HB3 SER 71 2HB SER 71 -30.043 -10.606 -8.014 530 HG SER 71 HG SER 71 -30.857 -8.667 -6.162 531 H SER 72 H SER 72 -33.033 -9.571 -6.274 532 HA SER 72 HA SER 72 -34.623 -11.463 -7.866 533 HB2 SER 72 1HB SER 72 -36.591 -10.182 -7.071 534 HB3 SER 72 2HB SER 72 -35.648 -10.849 -5.738 535 HG SER 72 HG SER 72 -34.664 -8.767 -5.540 536 H GLY 73 H GLY 73 -34.251 -7.927 -7.508 537 HA2 GLY 73 1HA GLY 73 -33.757 -7.536 -10.286 538 HA3 GLY 73 2HA GLY 73 -35.427 -7.160 -9.889 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.080 -7.125 -6.445 2 HA2 GLY 1 1HA GLY 1 14.553 -7.797 -8.744 3 HA3 GLY 1 2HA GLY 1 13.062 -7.565 -7.842 4 H SER 2 H SER 2 15.028 -6.465 -10.433 5 HA SER 2 HA SER 2 13.624 -3.983 -10.835 6 HB2 SER 2 1HB SER 2 15.998 -4.301 -11.515 7 HB3 SER 2 2HB SER 2 15.465 -5.460 -12.733 8 HG SER 2 HG SER 2 15.730 -3.361 -13.605 9 H SER 3 H SER 3 13.843 -7.031 -12.676 10 HA SER 3 HA SER 3 11.831 -6.412 -14.528 11 HB2 SER 3 1HB SER 3 13.366 -8.216 -14.979 12 HB3 SER 3 2HB SER 3 12.843 -9.087 -13.538 13 HG SER 3 HG SER 3 11.918 -9.755 -15.639 14 H GLY 4 H GLY 4 9.651 -6.691 -14.556 15 HA2 GLY 4 1HA GLY 4 8.220 -6.650 -12.150 16 HA3 GLY 4 2HA GLY 4 7.522 -6.940 -13.737 17 H SER 5 H SER 5 7.214 -8.151 -10.929 18 HA SER 5 HA SER 5 8.101 -10.785 -10.898 19 HB2 SER 5 1HB SER 5 6.781 -9.337 -9.121 20 HB3 SER 5 2HB SER 5 5.383 -10.153 -9.822 21 HG SER 5 HG SER 5 7.600 -11.704 -9.128 22 H SER 6 H SER 6 7.563 -12.577 -11.969 23 HA SER 6 HA SER 6 5.846 -12.474 -14.213 24 HB2 SER 6 1HB SER 6 6.907 -14.945 -12.826 25 HB3 SER 6 2HB SER 6 6.345 -14.828 -14.493 26 HG SER 6 HG SER 6 8.736 -14.675 -13.955 27 H GLY 7 H GLY 7 5.541 -14.264 -11.140 28 HA2 GLY 7 1HA GLY 7 2.742 -14.818 -11.724 29 HA3 GLY 7 2HA GLY 7 3.664 -15.430 -10.358 30 H LYS 8 H LYS 8 2.716 -12.222 -11.601 31 HA LYS 8 HA LYS 8 2.674 -10.882 -9.187 32 HB2 LYS 8 1HB LYS 8 1.249 -10.510 -11.784 33 HB3 LYS 8 2HB LYS 8 0.747 -9.537 -10.407 34 HG2 LYS 8 1HG LYS 8 3.622 -9.689 -11.236 35 HG3 LYS 8 2HG LYS 8 2.495 -8.571 -12.009 36 HD2 LYS 8 1HD LYS 8 2.591 -8.628 -9.037 37 HD3 LYS 8 2HD LYS 8 3.935 -7.871 -9.896 38 HE2 LYS 8 1HE LYS 8 2.564 -6.063 -9.689 39 HE3 LYS 8 2HE LYS 8 1.954 -6.708 -11.213 40 HZ1 LYS 8 1HZ LYS 8 0.624 -6.435 -8.704 41 HZ2 LYS 8 2HZ LYS 8 0.527 -8.021 -9.285 42 HZ3 LYS 8 3HZ LYS 8 -0.025 -6.736 -10.237 43 H ALA 9 H ALA 9 1.356 -10.806 -7.468 44 HA ALA 9 HA ALA 9 -0.602 -12.795 -7.061 45 HB1 ALA 9 1HB ALA 9 0.549 -10.590 -5.533 46 HB2 ALA 9 2HB ALA 9 -1.138 -10.920 -5.138 47 HB3 ALA 9 3HB ALA 9 0.065 -12.203 -5.010 48 H LYS 10 H LYS 10 -2.845 -12.667 -6.914 49 HA LYS 10 HA LYS 10 -4.053 -10.310 -8.208 50 HB2 LYS 10 1HB LYS 10 -4.216 -12.144 -9.732 51 HB3 LYS 10 2HB LYS 10 -4.760 -13.232 -8.463 52 HG2 LYS 10 1HG LYS 10 -6.768 -12.812 -9.399 53 HG3 LYS 10 2HG LYS 10 -6.712 -11.417 -8.319 54 HD2 LYS 10 1HD LYS 10 -7.251 -10.386 -10.295 55 HD3 LYS 10 2HD LYS 10 -5.490 -10.299 -10.366 56 HE2 LYS 10 1HE LYS 10 -7.005 -12.597 -11.563 57 HE3 LYS 10 2HE LYS 10 -6.746 -11.099 -12.455 58 HZ1 LYS 10 1HZ LYS 10 -4.276 -11.630 -11.587 59 HZ2 LYS 10 2HZ LYS 10 -4.871 -12.122 -13.091 60 HZ3 LYS 10 3HZ LYS 10 -4.871 -13.201 -11.789 61 HA PRO 11 HA PRO 11 -6.437 -9.845 -4.527 62 HB2 PRO 11 1HB PRO 11 -8.412 -8.275 -5.530 63 HB3 PRO 11 2HB PRO 11 -6.779 -7.678 -5.210 64 HG2 PRO 11 1HG PRO 11 -8.004 -8.550 -7.799 65 HG3 PRO 11 2HG PRO 11 -6.970 -7.148 -7.466 66 HD2 PRO 11 1HD PRO 11 -6.022 -9.426 -8.583 67 HD3 PRO 11 2HD PRO 11 -5.038 -8.403 -7.516 68 H VAL 12 H VAL 12 -8.536 -10.336 -3.640 69 HA VAL 12 HA VAL 12 -9.816 -12.554 -5.039 70 HB VAL 12 HB VAL 12 -10.951 -12.997 -2.899 71 HG11 VAL 12 1HG1 VAL 12 -7.987 -12.618 -2.504 72 HG12 VAL 12 2HG1 VAL 12 -9.034 -13.790 -1.700 73 HG13 VAL 12 3HG1 VAL 12 -8.704 -13.938 -3.426 74 HG21 VAL 12 1HG2 VAL 12 -11.280 -11.154 -1.646 75 HG22 VAL 12 2HG2 VAL 12 -9.702 -11.565 -0.974 76 HG23 VAL 12 3HG2 VAL 12 -9.829 -10.355 -2.251 77 H ALA 13 H ALA 13 -10.573 -9.378 -3.712 78 HA ALA 13 HA ALA 13 -12.935 -9.253 -5.403 79 HB1 ALA 13 1HB ALA 13 -14.174 -9.982 -3.637 80 HB2 ALA 13 2HB ALA 13 -13.033 -9.369 -2.439 81 HB3 ALA 13 3HB ALA 13 -14.132 -8.260 -3.258 82 H THR 14 H THR 14 -13.732 -7.106 -5.707 83 HA THR 14 HA THR 14 -12.091 -4.935 -4.635 84 HB THR 14 HB THR 14 -12.603 -5.234 -7.600 85 HG1 THR 14 1HG THR 14 -10.954 -6.578 -7.364 86 HG21 THR 14 1HG2 THR 14 -10.505 -3.419 -6.899 87 HG22 THR 14 2HG2 THR 14 -11.968 -2.986 -6.014 88 HG23 THR 14 3HG2 THR 14 -12.002 -3.097 -7.773 89 H ALA 15 H ALA 15 -13.220 -3.114 -4.234 90 HA ALA 15 HA ALA 15 -15.831 -2.737 -5.501 91 HB1 ALA 15 1HB ALA 15 -16.477 -3.851 -3.520 92 HB2 ALA 15 2HB ALA 15 -15.361 -2.904 -2.535 93 HB3 ALA 15 3HB ALA 15 -16.784 -2.137 -3.239 94 HA PRO 16 HA PRO 16 -14.143 1.361 -5.772 95 HB2 PRO 16 1HB PRO 16 -16.340 2.526 -6.862 96 HB3 PRO 16 2HB PRO 16 -15.236 1.502 -7.788 97 HG2 PRO 16 1HG PRO 16 -17.875 0.812 -6.556 98 HG3 PRO 16 2HG PRO 16 -17.236 0.373 -8.151 99 HD2 PRO 16 1HD PRO 16 -17.216 -1.338 -6.052 100 HD3 PRO 16 2HD PRO 16 -15.957 -1.348 -7.304 101 H ILE 17 H ILE 17 -13.988 2.824 -4.201 102 HA ILE 17 HA ILE 17 -15.918 2.951 -2.085 103 HB ILE 17 HB ILE 17 -13.485 4.663 -2.611 104 HG12 ILE 17 1HG1 ILE 17 -13.967 2.163 -1.006 105 HG13 ILE 17 2HG1 ILE 17 -12.716 2.475 -2.205 106 HG21 ILE 17 1HG2 ILE 17 -15.356 5.630 -1.157 107 HG22 ILE 17 2HG2 ILE 17 -14.912 4.389 0.014 108 HG23 ILE 17 3HG2 ILE 17 -13.728 5.599 -0.481 109 HD11 ILE 17 1HD1 ILE 17 -11.917 2.403 0.149 110 HD12 ILE 17 2HD1 ILE 17 -11.538 3.899 -0.704 111 HD13 ILE 17 3HD1 ILE 17 -12.863 3.859 0.459 112 HA PRO 18 HA PRO 18 -18.499 6.119 -3.750 113 HB2 PRO 18 1HB PRO 18 -19.683 6.903 -1.436 114 HB3 PRO 18 2HB PRO 18 -20.085 5.390 -2.256 115 HG2 PRO 18 1HG PRO 18 -18.280 5.854 0.087 116 HG3 PRO 18 2HG PRO 18 -19.477 4.570 -0.167 117 HD2 PRO 18 1HD PRO 18 -16.824 4.185 -0.549 118 HD3 PRO 18 2HD PRO 18 -18.059 3.339 -1.503 119 H GLY 19 H GLY 19 -18.208 8.220 -4.217 120 HA2 GLY 19 1HA GLY 19 -17.698 10.468 -3.850 121 HA3 GLY 19 2HA GLY 19 -17.108 10.048 -2.249 122 H THR 20 H THR 20 -15.166 8.245 -2.692 123 HA THR 20 HA THR 20 -13.165 9.850 -4.104 124 HB THR 20 HB THR 20 -11.554 8.997 -2.713 125 HG1 THR 20 1HG THR 20 -13.115 6.665 -2.797 126 HG21 THR 20 1HG2 THR 20 -14.143 8.790 -1.191 127 HG22 THR 20 2HG2 THR 20 -12.985 10.120 -1.204 128 HG23 THR 20 3HG2 THR 20 -12.572 8.598 -0.415 129 HA PRO 21 HA PRO 21 -12.827 7.014 -7.451 130 HB2 PRO 21 1HB PRO 21 -10.259 7.493 -8.191 131 HB3 PRO 21 2HB PRO 21 -11.576 8.629 -8.503 132 HG2 PRO 21 1HG PRO 21 -9.530 8.654 -6.318 133 HG3 PRO 21 2HG PRO 21 -10.133 10.001 -7.302 134 HD2 PRO 21 1HD PRO 21 -11.004 9.533 -4.781 135 HD3 PRO 21 2HD PRO 21 -12.046 10.233 -6.037 136 H TRP 22 H TRP 22 -11.211 6.639 -4.539 137 HA TRP 22 HA TRP 22 -9.430 4.522 -5.195 138 HB2 TRP 22 1HB TRP 22 -10.646 5.443 -2.591 139 HB3 TRP 22 2HB TRP 22 -9.527 4.087 -2.688 140 HD1 TRP 22 HD TRP 22 -9.649 7.875 -2.782 141 HE1 TRP 22 1HE TRP 22 -7.246 8.797 -2.775 142 HE3 TRP 22 3HE TRP 22 -7.099 3.500 -3.482 143 HZ2 TRP 22 2HZ TRP 22 -4.618 7.802 -3.032 144 HZ3 TRP 22 3HZ TRP 22 -4.642 3.571 -3.590 145 HH2 TRP 22 HH TRP 22 -3.429 5.679 -3.370 146 H CYS 23 H CYS 23 -9.644 2.284 -4.669 147 HA CYS 23 HA CYS 23 -12.395 1.320 -4.341 148 HB2 CYS 23 1HB CYS 23 -10.453 0.234 -6.389 149 HB3 CYS 23 2HB CYS 23 -12.088 -0.345 -6.095 150 HG CYS 23 HG CYS 23 -12.840 2.572 -6.697 151 H VAL 24 H VAL 24 -12.454 0.063 -2.610 152 HA VAL 24 HA VAL 24 -10.168 -0.945 -1.307 153 HB VAL 24 HB VAL 24 -13.038 -1.837 -0.990 154 HG11 VAL 24 1HG1 VAL 24 -11.859 -2.132 1.439 155 HG12 VAL 24 2HG1 VAL 24 -12.065 -3.431 0.262 156 HG13 VAL 24 3HG1 VAL 24 -10.533 -2.561 0.359 157 HG21 VAL 24 1HG2 VAL 24 -13.116 0.424 -0.508 158 HG22 VAL 24 2HG2 VAL 24 -12.785 -0.280 1.075 159 HG23 VAL 24 3HG2 VAL 24 -11.477 0.449 0.143 160 H VAL 25 H VAL 25 -8.903 -2.529 -2.005 161 HA VAL 25 HA VAL 25 -10.124 -4.776 -3.469 162 HB VAL 25 HB VAL 25 -7.256 -3.827 -3.567 163 HG11 VAL 25 1HG1 VAL 25 -8.650 -6.217 -4.589 164 HG12 VAL 25 2HG1 VAL 25 -7.557 -5.415 -5.719 165 HG13 VAL 25 3HG1 VAL 25 -6.955 -5.985 -4.161 166 HG21 VAL 25 1HG2 VAL 25 -8.240 -3.555 -6.085 167 HG22 VAL 25 2HG2 VAL 25 -9.649 -3.125 -5.115 168 HG23 VAL 25 3HG2 VAL 25 -8.134 -2.248 -4.905 169 H TRP 26 H TRP 26 -10.007 -6.758 -2.623 170 HA TRP 26 HA TRP 26 -8.442 -7.106 -0.164 171 HB2 TRP 26 1HB TRP 26 -10.845 -8.568 -1.260 172 HB3 TRP 26 2HB TRP 26 -9.920 -9.155 0.120 173 HD1 TRP 26 HD TRP 26 -10.221 -7.891 2.430 174 HE1 TRP 26 1HE TRP 26 -11.946 -6.174 3.267 175 HE3 TRP 26 3HE TRP 26 -12.285 -6.561 -2.054 176 HZ2 TRP 26 2HZ TRP 26 -13.921 -4.481 2.172 177 HZ3 TRP 26 3HZ TRP 26 -14.087 -4.886 -2.072 178 HH2 TRP 26 HH TRP 26 -14.887 -3.869 -0.002 179 H THR 27 H THR 27 -7.467 -9.262 0.193 180 HA THR 27 HA THR 27 -6.526 -10.472 -2.324 181 HB THR 27 HB THR 27 -4.343 -10.901 -1.161 182 HG1 THR 27 1HG THR 27 -4.780 -8.825 0.615 183 HG21 THR 27 1HG2 THR 27 -3.430 -8.772 -1.661 184 HG22 THR 27 2HG2 THR 27 -4.959 -7.958 -1.326 185 HG23 THR 27 3HG2 THR 27 -4.798 -8.980 -2.754 186 H GLY 28 H GLY 28 -5.214 -12.610 -1.605 187 HA2 GLY 28 1HA GLY 28 -7.250 -14.291 -0.414 188 HA3 GLY 28 2HA GLY 28 -5.754 -14.831 -1.162 189 H ASP 29 H ASP 29 -4.583 -12.589 0.745 190 HA ASP 29 HA ASP 29 -4.035 -14.486 2.897 191 HB2 ASP 29 1HB ASP 29 -2.271 -13.076 1.565 192 HB3 ASP 29 2HB ASP 29 -2.732 -11.796 2.683 193 H GLU 30 H GLU 30 -6.612 -13.155 2.741 194 HA GLU 30 HA GLU 30 -8.106 -12.032 4.045 195 HB2 GLU 30 1HB GLU 30 -6.102 -12.827 6.163 196 HB3 GLU 30 2HB GLU 30 -7.701 -12.182 6.505 197 HG2 GLU 30 1HG GLU 30 -8.699 -14.094 5.321 198 HG3 GLU 30 2HG GLU 30 -7.084 -14.752 5.067 199 H ARG 31 H ARG 31 -6.092 -10.444 2.754 200 HA ARG 31 HA ARG 31 -5.866 -8.217 4.672 201 HB2 ARG 31 1HB ARG 31 -4.006 -9.210 2.553 202 HB3 ARG 31 2HB ARG 31 -4.026 -7.491 2.925 203 HG2 ARG 31 1HG ARG 31 -3.591 -8.058 5.303 204 HG3 ARG 31 2HG ARG 31 -3.425 -9.748 4.822 205 HD2 ARG 31 1HD ARG 31 -1.664 -8.902 3.164 206 HD3 ARG 31 2HD ARG 31 -1.687 -7.409 4.102 207 HE ARG 31 HE ARG 31 -0.416 -9.845 4.817 208 HH11 ARG 31 2HH1 ARG 31 -2.132 -7.124 6.148 209 HH12 ARG 31 1HH1 ARG 31 -1.372 -7.238 7.700 210 HH21 ARG 31 2HH2 ARG 31 0.591 -10.005 6.857 211 HH22 ARG 31 1HH2 ARG 31 0.177 -8.877 8.103 212 H VAL 32 H VAL 32 -5.521 -6.069 3.303 213 HA VAL 32 HA VAL 32 -7.077 -5.920 0.888 214 HB VAL 32 HB VAL 32 -8.913 -5.980 2.460 215 HG11 VAL 32 1HG1 VAL 32 -8.406 -5.330 4.547 216 HG12 VAL 32 2HG1 VAL 32 -7.163 -4.202 4.000 217 HG13 VAL 32 3HG1 VAL 32 -8.861 -3.723 3.981 218 HG21 VAL 32 1HG2 VAL 32 -9.938 -4.495 1.167 219 HG22 VAL 32 2HG2 VAL 32 -9.218 -3.175 2.089 220 HG23 VAL 32 3HG2 VAL 32 -8.374 -3.836 0.688 221 H PHE 33 H PHE 33 -6.562 -4.149 -0.290 222 HA PHE 33 HA PHE 33 -5.088 -1.982 1.038 223 HB2 PHE 33 1HB PHE 33 -3.453 -1.920 -0.751 224 HB3 PHE 33 2HB PHE 33 -3.487 -3.536 -0.055 225 HD1 PHE 33 1HD PHE 33 -4.717 -5.355 -1.273 226 HD2 PHE 33 2HD PHE 33 -3.882 -1.568 -3.028 227 HE1 PHE 33 1HE PHE 33 -5.094 -6.311 -3.509 228 HE2 PHE 33 2HE PHE 33 -4.260 -2.518 -5.266 229 HZ PHE 33 HZ PHE 33 -4.867 -4.892 -5.509 230 H PHE 34 H PHE 34 -4.917 -0.016 -0.359 231 HA PHE 34 HA PHE 34 -7.481 0.412 -1.703 232 HB2 PHE 34 1HB PHE 34 -5.450 2.512 -0.945 233 HB3 PHE 34 2HB PHE 34 -7.151 2.748 -1.332 234 HD1 PHE 34 2HD PHE 34 -4.883 1.187 1.154 235 HD2 PHE 34 1HD PHE 34 -8.759 2.749 0.348 236 HE1 PHE 34 2HE PHE 34 -5.445 1.013 3.542 237 HE2 PHE 34 1HE PHE 34 -9.328 2.579 2.736 238 HZ PHE 34 HZ PHE 34 -7.670 1.709 4.336 239 H TYR 35 H TYR 35 -7.663 0.859 -3.823 240 HA TYR 35 HA TYR 35 -5.194 1.311 -5.361 241 HB2 TYR 35 1HB TYR 35 -5.667 -0.935 -5.854 242 HB3 TYR 35 2HB TYR 35 -7.405 -0.658 -5.886 243 HD1 TYR 35 1HD TYR 35 -4.343 0.523 -7.684 244 HD2 TYR 35 2HD TYR 35 -8.423 -0.654 -7.952 245 HE1 TYR 35 1HE TYR 35 -4.250 0.781 -10.128 246 HE2 TYR 35 2HE TYR 35 -8.341 -0.401 -10.397 247 HH TYR 35 HH TYR 35 -6.910 -0.210 -12.182 248 H ASN 36 H ASN 36 -5.349 2.682 -7.117 249 HA ASN 36 HA ASN 36 -7.907 4.123 -7.377 250 HB2 ASN 36 1HB ASN 36 -5.985 5.415 -6.368 251 HB3 ASN 36 2HB ASN 36 -5.162 5.265 -7.917 252 HD21 ASN 36 1HD2 ASN 36 -6.924 7.291 -6.107 253 HD22 ASN 36 2HD2 ASN 36 -7.659 8.251 -7.341 254 HA PRO 37 HA PRO 37 -7.419 2.237 -11.478 255 HB2 PRO 37 1HB PRO 37 -10.050 2.449 -12.113 256 HB3 PRO 37 2HB PRO 37 -9.404 1.136 -11.121 257 HG2 PRO 37 1HG PRO 37 -10.795 3.646 -10.269 258 HG3 PRO 37 2HG PRO 37 -11.006 1.991 -9.668 259 HD2 PRO 37 1HD PRO 37 -9.531 3.841 -8.352 260 HD3 PRO 37 2HD PRO 37 -9.142 2.109 -8.318 261 H THR 38 H THR 38 -8.091 5.336 -10.413 262 HA THR 38 HA THR 38 -8.570 6.403 -13.098 263 HB THR 38 HB THR 38 -8.536 7.908 -10.477 264 HG1 THR 38 1HG THR 38 -10.223 6.208 -10.798 265 HG21 THR 38 1HG2 THR 38 -10.196 9.116 -12.411 266 HG22 THR 38 2HG2 THR 38 -8.675 8.731 -13.217 267 HG23 THR 38 3HG2 THR 38 -8.675 9.723 -11.759 268 H THR 39 H THR 39 -6.162 6.246 -10.588 269 HA THR 39 HA THR 39 -4.347 7.841 -12.278 270 HB THR 39 HB THR 39 -3.093 8.374 -10.172 271 HG1 THR 39 1HG THR 39 -3.715 7.403 -8.408 272 HG21 THR 39 1HG2 THR 39 -5.312 9.601 -11.260 273 HG22 THR 39 2HG2 THR 39 -4.226 10.304 -10.061 274 HG23 THR 39 3HG2 THR 39 -5.708 9.498 -9.545 275 H ARG 40 H ARG 40 -5.021 4.809 -11.683 276 HA ARG 40 HA ARG 40 -3.894 2.829 -11.537 277 HB2 ARG 40 1HB ARG 40 -1.766 4.432 -12.968 278 HB3 ARG 40 2HB ARG 40 -1.897 2.679 -12.941 279 HG2 ARG 40 1HG ARG 40 -3.981 2.780 -14.162 280 HG3 ARG 40 2HG ARG 40 -3.947 4.544 -14.118 281 HD2 ARG 40 1HD ARG 40 -2.165 4.670 -15.607 282 HD3 ARG 40 2HD ARG 40 -1.672 3.004 -15.307 283 HE ARG 40 HE ARG 40 -4.194 2.879 -16.427 284 HH11 ARG 40 2HH1 ARG 40 -1.047 4.056 -17.338 285 HH12 ARG 40 1HH1 ARG 40 -1.289 3.777 -19.031 286 HH21 ARG 40 2HH2 ARG 40 -4.525 2.508 -18.653 287 HH22 ARG 40 1HH2 ARG 40 -3.268 2.898 -19.778 288 H LEU 41 H LEU 41 -3.700 4.276 -9.188 289 HA LEU 41 HA LEU 41 -0.915 3.841 -8.339 290 HB2 LEU 41 1HB LEU 41 -2.092 6.140 -8.128 291 HB3 LEU 41 2HB LEU 41 -2.927 5.400 -6.763 292 HG LEU 41 HG LEU 41 -0.967 6.779 -6.121 293 HD11 LEU 41 1HD1 LEU 41 -0.315 5.370 -4.412 294 HD12 LEU 41 2HD1 LEU 41 -0.353 3.936 -5.436 295 HD13 LEU 41 3HD1 LEU 41 -1.861 4.675 -4.897 296 HD21 LEU 41 1HD2 LEU 41 0.992 4.756 -6.862 297 HD22 LEU 41 2HD2 LEU 41 1.068 6.513 -7.000 298 HD23 LEU 41 3HD2 LEU 41 0.271 5.563 -8.255 299 H SER 42 H SER 42 -0.465 2.463 -6.697 300 HA SER 42 HA SER 42 -2.714 1.249 -5.248 301 HB2 SER 42 1HB SER 42 -0.693 -0.104 -6.964 302 HB3 SER 42 2HB SER 42 -1.146 -0.910 -5.462 303 HG SER 42 HG SER 42 -3.396 -0.486 -6.243 304 H MET 43 H MET 43 -2.416 1.437 -3.137 305 HA MET 43 HA MET 43 0.344 1.545 -2.110 306 HB2 MET 43 1HB MET 43 -2.027 2.750 -0.704 307 HB3 MET 43 2HB MET 43 -0.319 3.085 -0.454 308 HG2 MET 43 1HG MET 43 -0.488 3.877 -2.974 309 HG3 MET 43 2HG MET 43 -2.175 4.111 -2.520 310 HE1 MET 43 1HE MET 43 -0.869 4.601 0.793 311 HE2 MET 43 2HE MET 43 -1.373 6.291 0.828 312 HE3 MET 43 3HE MET 43 -2.460 5.060 0.183 313 H TRP 44 H TRP 44 0.410 0.953 0.305 314 HA TRP 44 HA TRP 44 -1.073 -1.563 0.625 315 HB2 TRP 44 1HB TRP 44 1.624 -0.624 1.460 316 HB3 TRP 44 2HB TRP 44 0.796 -1.751 2.530 317 HD1 TRP 44 HD TRP 44 3.096 -1.758 -0.287 318 HE1 TRP 44 1HE TRP 44 3.159 -4.057 -1.443 319 HE3 TRP 44 3HE TRP 44 -1.104 -3.821 1.774 320 HZ2 TRP 44 2HZ TRP 44 1.631 -6.430 -1.478 321 HZ3 TRP 44 3HZ TRP 44 -1.734 -6.109 1.126 322 HH2 TRP 44 HH TRP 44 -0.394 -7.385 -0.467 323 H ASP 45 H ASP 45 -0.855 1.603 1.824 324 HA ASP 45 HA ASP 45 -2.434 0.841 4.192 325 HB2 ASP 45 1HB ASP 45 -0.260 2.894 3.898 326 HB3 ASP 45 2HB ASP 45 -1.499 3.072 5.137 327 H ARG 46 H ARG 46 -3.684 2.854 5.031 328 HA ARG 46 HA ARG 46 -5.348 3.736 2.843 329 HB2 ARG 46 1HB ARG 46 -6.228 2.992 5.085 330 HB3 ARG 46 2HB ARG 46 -5.574 4.477 5.761 331 HG2 ARG 46 1HG ARG 46 -7.376 4.707 3.418 332 HG3 ARG 46 2HG ARG 46 -8.088 4.273 4.974 333 HD2 ARG 46 1HD ARG 46 -6.210 6.595 4.729 334 HD3 ARG 46 2HD ARG 46 -7.918 6.768 4.330 335 HE ARG 46 HE ARG 46 -6.765 6.486 6.954 336 HH11 ARG 46 2HH1 ARG 46 -9.637 6.132 5.018 337 HH12 ARG 46 1HH1 ARG 46 -10.718 6.262 6.365 338 HH21 ARG 46 2HH2 ARG 46 -8.179 6.658 8.735 339 HH22 ARG 46 1HH2 ARG 46 -9.888 6.562 8.479 340 HA PRO 47 HA PRO 47 -2.926 7.477 2.388 341 HB2 PRO 47 1HB PRO 47 -4.295 8.390 0.229 342 HB3 PRO 47 2HB PRO 47 -3.065 7.126 0.122 343 HG2 PRO 47 1HG PRO 47 -6.045 6.865 0.213 344 HG3 PRO 47 2HG PRO 47 -4.878 6.007 -0.810 345 HD2 PRO 47 1HD PRO 47 -5.959 4.900 1.412 346 HD3 PRO 47 2HD PRO 47 -4.313 4.525 0.863 347 H ASP 48 H ASP 48 -3.362 9.767 2.472 348 HA ASP 48 HA ASP 48 -5.296 10.488 4.365 349 HB2 ASP 48 1HB ASP 48 -3.095 11.694 3.517 350 HB3 ASP 48 2HB ASP 48 -4.235 12.543 2.477 351 H ASP 49 H ASP 49 -5.276 10.792 0.839 352 HA ASP 49 HA ASP 49 -7.446 12.325 0.322 353 HB2 ASP 49 1HB ASP 49 -6.474 9.813 -1.011 354 HB3 ASP 49 2HB ASP 49 -7.898 10.657 -1.614 355 H LEU 50 H LEU 50 -7.447 9.245 1.875 356 HA LEU 50 HA LEU 50 -10.378 9.099 1.706 357 HB2 LEU 50 1HB LEU 50 -8.296 7.037 2.382 358 HB3 LEU 50 2HB LEU 50 -10.021 6.775 2.629 359 HG LEU 50 HG LEU 50 -8.707 7.310 -0.035 360 HD11 LEU 50 1HD1 LEU 50 -9.205 4.851 1.495 361 HD12 LEU 50 2HD1 LEU 50 -8.051 5.174 0.201 362 HD13 LEU 50 3HD1 LEU 50 -9.733 4.813 -0.188 363 HD21 LEU 50 1HD2 LEU 50 -11.278 6.098 -0.199 364 HD22 LEU 50 2HD2 LEU 50 -10.748 7.659 -0.826 365 HD23 LEU 50 3HD2 LEU 50 -11.398 7.540 0.810 366 H ILE 51 H ILE 51 -7.673 9.320 3.917 367 HA ILE 51 HA ILE 51 -8.748 8.746 6.350 368 HB ILE 51 HB ILE 51 -6.939 11.055 5.644 369 HG12 ILE 51 1HG1 ILE 51 -6.356 8.342 6.852 370 HG13 ILE 51 2HG1 ILE 51 -6.077 8.782 5.171 371 HG21 ILE 51 1HG2 ILE 51 -8.315 10.576 8.076 372 HG22 ILE 51 2HG2 ILE 51 -6.609 10.222 8.338 373 HG23 ILE 51 3HG2 ILE 51 -7.097 11.802 7.727 374 HD11 ILE 51 1HD1 ILE 51 -4.745 10.736 6.594 375 HD12 ILE 51 2HD1 ILE 51 -4.445 9.256 7.506 376 HD13 ILE 51 3HD1 ILE 51 -4.027 9.338 5.795 377 H GLY 52 H GLY 52 -10.539 9.354 7.359 378 HA2 GLY 52 1HA GLY 52 -11.670 11.264 8.438 379 HA3 GLY 52 2HA GLY 52 -11.533 12.099 6.897 380 H ARG 53 H ARG 53 -12.242 9.785 5.301 381 HA ARG 53 HA ARG 53 -15.102 10.050 5.483 382 HB2 ARG 53 1HB ARG 53 -13.389 8.399 3.617 383 HB3 ARG 53 2HB ARG 53 -15.123 8.641 3.452 384 HG2 ARG 53 1HG ARG 53 -14.605 11.128 3.338 385 HG3 ARG 53 2HG ARG 53 -12.921 10.649 3.121 386 HD2 ARG 53 1HD ARG 53 -13.301 9.747 1.048 387 HD3 ARG 53 2HD ARG 53 -14.989 9.380 1.400 388 HE ARG 53 HE ARG 53 -13.955 11.783 0.249 389 HH11 ARG 53 2HH1 ARG 53 -16.515 10.468 2.208 390 HH12 ARG 53 1HH1 ARG 53 -17.643 11.719 1.805 391 HH21 ARG 53 2HH2 ARG 53 -15.432 13.436 -0.289 392 HH22 ARG 53 1HH2 ARG 53 -17.027 13.407 0.383 393 H ALA 54 H ALA 54 -16.597 8.473 5.970 394 HA ALA 54 HA ALA 54 -15.625 6.313 7.648 395 HB1 ALA 54 1HB ALA 54 -17.499 6.698 8.766 396 HB2 ALA 54 2HB ALA 54 -17.957 7.914 7.573 397 HB3 ALA 54 3HB ALA 54 -18.454 6.236 7.356 398 H ASP 55 H ASP 55 -17.406 6.729 4.625 399 HA ASP 55 HA ASP 55 -18.253 4.189 4.086 400 HB2 ASP 55 1HB ASP 55 -16.931 5.989 2.048 401 HB3 ASP 55 2HB ASP 55 -18.126 4.733 1.736 402 H VAL 56 H VAL 56 -15.034 5.497 3.292 403 HA VAL 56 HA VAL 56 -13.889 3.280 2.145 404 HB VAL 56 HB VAL 56 -12.697 5.375 2.228 405 HG11 VAL 56 1HG1 VAL 56 -13.551 5.807 4.646 406 HG12 VAL 56 2HG1 VAL 56 -12.053 5.005 5.123 407 HG13 VAL 56 3HG1 VAL 56 -11.997 6.468 4.139 408 HG21 VAL 56 1HG2 VAL 56 -10.480 4.492 3.270 409 HG22 VAL 56 2HG2 VAL 56 -11.387 2.993 3.471 410 HG23 VAL 56 3HG2 VAL 56 -11.168 3.682 1.863 411 H ASP 57 H ASP 57 -14.058 4.059 5.607 412 HA ASP 57 HA ASP 57 -12.673 1.747 6.478 413 HB2 ASP 57 1HB ASP 57 -14.485 3.728 7.834 414 HB3 ASP 57 2HB ASP 57 -13.893 2.308 8.694 415 H LYS 58 H LYS 58 -16.153 2.532 6.577 416 HA LYS 58 HA LYS 58 -17.201 0.230 7.550 417 HB2 LYS 58 1HB LYS 58 -18.526 2.202 6.860 418 HB3 LYS 58 2HB LYS 58 -18.298 1.749 5.176 419 HG2 LYS 58 1HG LYS 58 -19.517 -0.325 5.557 420 HG3 LYS 58 2HG LYS 58 -19.729 0.106 7.255 421 HD2 LYS 58 1HD LYS 58 -21.008 2.080 6.602 422 HD3 LYS 58 2HD LYS 58 -20.776 1.677 4.899 423 HE2 LYS 58 1HE LYS 58 -21.983 -0.362 6.703 424 HE3 LYS 58 2HE LYS 58 -22.976 0.999 6.185 425 HZ1 LYS 58 1HZ LYS 58 -22.702 -1.259 4.794 426 HZ2 LYS 58 2HZ LYS 58 -21.485 -0.325 4.081 427 HZ3 LYS 58 3HZ LYS 58 -23.082 0.233 4.092 428 H ILE 59 H ILE 59 -16.554 0.792 4.087 429 HA ILE 59 HA ILE 59 -17.257 -1.649 3.066 430 HB ILE 59 HB ILE 59 -14.876 0.017 2.241 431 HG12 ILE 59 1HG1 ILE 59 -17.581 -0.051 0.923 432 HG13 ILE 59 2HG1 ILE 59 -17.251 1.035 2.268 433 HG21 ILE 59 1HG2 ILE 59 -15.592 -2.553 1.409 434 HG22 ILE 59 2HG2 ILE 59 -16.131 -1.472 0.125 435 HG23 ILE 59 3HG2 ILE 59 -14.444 -1.459 0.638 436 HD11 ILE 59 1HD1 ILE 59 -15.221 1.767 0.822 437 HD12 ILE 59 2HD1 ILE 59 -16.151 1.059 -0.499 438 HD13 ILE 59 3HD1 ILE 59 -16.834 2.375 0.455 439 H ILE 60 H ILE 60 -13.982 -0.770 4.178 440 HA ILE 60 HA ILE 60 -12.824 -3.286 3.878 441 HB ILE 60 HB ILE 60 -12.170 -1.076 5.824 442 HG12 ILE 60 1HG1 ILE 60 -10.518 -1.898 3.463 443 HG13 ILE 60 2HG1 ILE 60 -11.942 -0.895 3.215 444 HG21 ILE 60 1HG2 ILE 60 -9.899 -2.321 5.850 445 HG22 ILE 60 2HG2 ILE 60 -11.210 -2.903 6.875 446 HG23 ILE 60 3HG2 ILE 60 -10.852 -3.719 5.353 447 HD11 ILE 60 1HD1 ILE 60 -10.283 0.675 3.410 448 HD12 ILE 60 2HD1 ILE 60 -10.876 0.586 5.069 449 HD13 ILE 60 3HD1 ILE 60 -9.394 -0.256 4.615 450 H GLN 61 H GLN 61 -14.642 -1.916 6.571 451 HA GLN 61 HA GLN 61 -14.134 -3.893 8.480 452 HB2 GLN 61 1HB GLN 61 -16.605 -2.199 8.080 453 HB3 GLN 61 2HB GLN 61 -16.270 -3.152 9.520 454 HG2 GLN 61 1HG GLN 61 -14.032 -1.756 9.495 455 HG3 GLN 61 2HG GLN 61 -15.031 -0.626 8.582 456 HE21 GLN 61 1HE2 GLN 61 -14.120 -1.664 11.627 457 HE22 GLN 61 2HE2 GLN 61 -15.333 -0.855 12.554 458 H GLU 62 H GLU 62 -17.011 -3.584 6.388 459 HA GLU 62 HA GLU 62 -17.388 -6.494 6.654 460 HB2 GLU 62 1HB GLU 62 -19.269 -5.411 7.615 461 HB3 GLU 62 2HB GLU 62 -19.377 -4.261 6.290 462 HG2 GLU 62 1HG GLU 62 -20.307 -5.818 4.843 463 HG3 GLU 62 2HG GLU 62 -19.744 -7.187 5.801 464 HA PRO 63 HA PRO 63 -16.218 -5.898 2.261 465 HB2 PRO 63 1HB PRO 63 -15.023 -8.325 2.038 466 HB3 PRO 63 2HB PRO 63 -14.195 -6.902 2.681 467 HG2 PRO 63 1HG PRO 63 -15.479 -9.173 4.150 468 HG3 PRO 63 2HG PRO 63 -13.931 -8.367 4.468 469 HD2 PRO 63 1HD PRO 63 -16.175 -7.820 5.881 470 HD3 PRO 63 2HD PRO 63 -14.931 -6.596 5.552 471 HA PRO 64 HA PRO 64 -19.636 -8.110 0.568 472 HB2 PRO 64 1HB PRO 64 -18.853 -8.235 -2.028 473 HB3 PRO 64 2HB PRO 64 -19.425 -6.745 -1.268 474 HG2 PRO 64 1HG PRO 64 -16.619 -7.652 -1.783 475 HG3 PRO 64 2HG PRO 64 -17.335 -6.046 -2.009 476 HD2 PRO 64 1HD PRO 64 -15.820 -6.676 0.145 477 HD3 PRO 64 2HD PRO 64 -17.161 -5.516 0.228 478 H HIS 65 H HIS 65 -16.436 -9.224 -0.542 479 HA HIS 65 HA HIS 65 -17.074 -11.721 -1.476 480 HB2 HIS 65 1HB HIS 65 -14.813 -12.297 -1.230 481 HB3 HIS 65 2HB HIS 65 -14.785 -10.542 -1.371 482 HD1 HIS 65 1HD HIS 65 -14.024 -9.201 0.674 483 HD2 HIS 65 2HD HIS 65 -14.141 -13.304 1.318 484 HE1 HIS 65 1HE HIS 65 -12.825 -9.574 2.853 485 H LYS 66 H LYS 66 -17.288 -10.583 1.741 486 HA LYS 66 HA LYS 66 -17.626 -13.334 2.741 487 HB2 LYS 66 1HB LYS 66 -16.554 -10.848 3.977 488 HB3 LYS 66 2HB LYS 66 -17.449 -11.949 5.017 489 HG2 LYS 66 1HG LYS 66 -15.202 -12.921 3.291 490 HG3 LYS 66 2HG LYS 66 -14.908 -12.207 4.879 491 HD2 LYS 66 1HD LYS 66 -16.116 -13.906 5.979 492 HD3 LYS 66 2HD LYS 66 -16.847 -14.470 4.475 493 HE2 LYS 66 1HE LYS 66 -13.899 -14.610 5.090 494 HE3 LYS 66 2HE LYS 66 -15.029 -15.938 5.350 495 HZ1 LYS 66 1HZ LYS 66 -14.736 -16.513 3.248 496 HZ2 LYS 66 2HZ LYS 66 -13.724 -15.186 2.975 497 HZ3 LYS 66 3HZ LYS 66 -15.393 -15.038 2.742 498 H LYS 67 H LYS 67 -19.762 -13.707 2.365 499 HA LYS 67 HA LYS 67 -21.714 -11.729 3.294 500 HB2 LYS 67 1HB LYS 67 -21.883 -14.106 1.461 501 HB3 LYS 67 2HB LYS 67 -23.335 -13.395 2.155 502 HG2 LYS 67 1HG LYS 67 -21.327 -11.797 0.593 503 HG3 LYS 67 2HG LYS 67 -22.703 -12.613 -0.154 504 HD2 LYS 67 1HD LYS 67 -23.167 -10.807 2.176 505 HD3 LYS 67 2HD LYS 67 -22.877 -10.102 0.584 506 HE2 LYS 67 1HE LYS 67 -25.156 -10.298 0.533 507 HE3 LYS 67 2HE LYS 67 -24.695 -11.853 -0.156 508 HZ1 LYS 67 1HZ LYS 67 -24.979 -11.728 2.742 509 HZ2 LYS 67 2HZ LYS 67 -25.383 -12.971 1.667 510 HZ3 LYS 67 3HZ LYS 67 -26.405 -11.633 1.836 511 H SER 68 H SER 68 -23.164 -12.134 4.907 512 HA SER 68 HA SER 68 -22.522 -13.730 7.030 513 HB2 SER 68 1HB SER 68 -25.162 -12.639 6.092 514 HB3 SER 68 2HB SER 68 -25.067 -13.631 7.546 515 HG SER 68 HG SER 68 -24.093 -12.054 8.571 516 H GLY 69 H GLY 69 -23.804 -15.602 7.930 517 HA2 GLY 69 1HA GLY 69 -25.306 -17.382 6.458 518 HA3 GLY 69 2HA GLY 69 -23.634 -17.787 6.097 519 HA PRO 70 HA PRO 70 -23.634 -20.372 9.648 520 HB2 PRO 70 1HB PRO 70 -20.960 -20.511 10.091 521 HB3 PRO 70 2HB PRO 70 -21.757 -21.350 8.755 522 HG2 PRO 70 1HG PRO 70 -20.256 -18.760 8.739 523 HG3 PRO 70 2HG PRO 70 -20.198 -20.094 7.572 524 HD2 PRO 70 1HD PRO 70 -21.625 -17.835 7.133 525 HD3 PRO 70 2HD PRO 70 -22.132 -19.421 6.516 526 H SER 71 H SER 71 -21.314 -17.666 9.876 527 HA SER 71 HA SER 71 -21.804 -17.495 12.748 528 HB2 SER 71 1HB SER 71 -19.924 -15.905 12.761 529 HB3 SER 71 2HB SER 71 -19.475 -17.414 11.966 530 HG SER 71 HG SER 71 -20.305 -16.058 10.008 531 H SER 72 H SER 72 -23.941 -16.687 12.685 532 HA SER 72 HA SER 72 -24.093 -13.835 11.965 533 HB2 SER 72 1HB SER 72 -26.446 -14.165 11.321 534 HB3 SER 72 2HB SER 72 -25.370 -15.155 10.335 535 HG SER 72 HG SER 72 -27.426 -15.990 11.675 536 H GLY 73 H GLY 73 -24.700 -12.527 13.569 537 HA2 GLY 73 1HA GLY 73 -26.273 -12.042 15.370 538 HA3 GLY 73 2HA GLY 73 -26.112 -13.719 15.872 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.714 -7.774 -28.406 2 HA2 GLY 1 1HA GLY 1 5.256 -8.744 -26.079 3 HA3 GLY 1 2HA GLY 1 5.452 -7.149 -26.791 4 H SER 2 H SER 2 4.645 -8.201 -24.046 5 HA SER 2 HA SER 2 2.456 -6.302 -23.678 6 HB2 SER 2 1HB SER 2 1.107 -7.828 -22.397 7 HB3 SER 2 2HB SER 2 1.468 -8.602 -23.940 8 HG SER 2 HG SER 2 2.961 -9.892 -22.936 9 H SER 3 H SER 3 2.000 -6.095 -21.217 10 HA SER 3 HA SER 3 4.271 -6.601 -19.507 11 HB2 SER 3 1HB SER 3 4.691 -4.237 -18.976 12 HB3 SER 3 2HB SER 3 5.000 -4.566 -20.681 13 HG SER 3 HG SER 3 2.487 -3.626 -19.815 14 H GLY 4 H GLY 4 3.869 -5.409 -17.308 15 HA2 GLY 4 1HA GLY 4 1.740 -4.409 -16.179 16 HA3 GLY 4 2HA GLY 4 1.077 -5.979 -16.608 17 H SER 5 H SER 5 1.661 -4.616 -13.982 18 HA SER 5 HA SER 5 3.695 -6.316 -12.803 19 HB2 SER 5 1HB SER 5 3.563 -3.992 -12.069 20 HB3 SER 5 2HB SER 5 1.888 -4.223 -11.567 21 HG SER 5 HG SER 5 4.138 -4.733 -10.203 22 H SER 6 H SER 6 0.196 -5.800 -12.485 23 HA SER 6 HA SER 6 -0.554 -7.436 -10.501 24 HB2 SER 6 1HB SER 6 -1.966 -6.220 -12.363 25 HB3 SER 6 2HB SER 6 -1.986 -7.819 -13.104 26 HG SER 6 HG SER 6 -2.945 -8.631 -11.239 27 H GLY 7 H GLY 7 0.559 -9.246 -9.987 28 HA2 GLY 7 1HA GLY 7 0.258 -11.523 -11.803 29 HA3 GLY 7 2HA GLY 7 1.887 -11.097 -11.300 30 H LYS 8 H LYS 8 2.418 -11.230 -9.039 31 HA LYS 8 HA LYS 8 1.192 -13.517 -7.795 32 HB2 LYS 8 1HB LYS 8 2.955 -13.355 -6.161 33 HB3 LYS 8 2HB LYS 8 3.647 -13.104 -7.759 34 HG2 LYS 8 1HG LYS 8 4.035 -10.860 -7.385 35 HG3 LYS 8 2HG LYS 8 2.821 -10.757 -6.108 36 HD2 LYS 8 1HD LYS 8 4.893 -10.656 -4.999 37 HD3 LYS 8 2HD LYS 8 4.328 -12.312 -4.769 38 HE2 LYS 8 1HE LYS 8 6.616 -12.471 -5.339 39 HE3 LYS 8 2HE LYS 8 5.719 -12.932 -6.785 40 HZ1 LYS 8 1HZ LYS 8 6.782 -11.355 -7.889 41 HZ2 LYS 8 2HZ LYS 8 7.616 -10.889 -6.494 42 HZ3 LYS 8 3HZ LYS 8 6.131 -10.171 -6.871 43 H ALA 9 H ALA 9 0.299 -13.567 -5.673 44 HA ALA 9 HA ALA 9 -1.075 -12.862 -4.000 45 HB1 ALA 9 1HB ALA 9 0.447 -10.307 -4.463 46 HB2 ALA 9 2HB ALA 9 -0.741 -10.507 -3.175 47 HB3 ALA 9 3HB ALA 9 0.706 -11.514 -3.203 48 H LYS 10 H LYS 10 -2.184 -12.987 -6.535 49 HA LYS 10 HA LYS 10 -3.520 -10.732 -7.457 50 HB2 LYS 10 1HB LYS 10 -4.035 -13.669 -7.613 51 HB3 LYS 10 2HB LYS 10 -5.301 -12.567 -8.139 52 HG2 LYS 10 1HG LYS 10 -3.305 -11.492 -9.496 53 HG3 LYS 10 2HG LYS 10 -2.643 -13.120 -9.335 54 HD2 LYS 10 1HD LYS 10 -5.474 -12.821 -10.209 55 HD3 LYS 10 2HD LYS 10 -4.195 -12.452 -11.368 56 HE2 LYS 10 1HE LYS 10 -4.863 -14.763 -11.596 57 HE3 LYS 10 2HE LYS 10 -3.221 -14.679 -10.960 58 HZ1 LYS 10 1HZ LYS 10 -5.351 -16.047 -9.875 59 HZ2 LYS 10 2HZ LYS 10 -5.117 -14.721 -8.851 60 HZ3 LYS 10 3HZ LYS 10 -3.840 -15.787 -9.160 61 HA PRO 11 HA PRO 11 -6.505 -9.799 -4.359 62 HB2 PRO 11 1HB PRO 11 -8.333 -8.502 -5.891 63 HB3 PRO 11 2HB PRO 11 -6.779 -7.790 -5.439 64 HG2 PRO 11 1HG PRO 11 -7.579 -9.125 -7.997 65 HG3 PRO 11 2HG PRO 11 -6.634 -7.644 -7.755 66 HD2 PRO 11 1HD PRO 11 -5.485 -10.029 -8.322 67 HD3 PRO 11 2HD PRO 11 -4.694 -8.805 -7.309 68 H VAL 12 H VAL 12 -8.777 -10.145 -3.794 69 HA VAL 12 HA VAL 12 -9.942 -12.442 -5.230 70 HB VAL 12 HB VAL 12 -10.922 -13.152 -3.072 71 HG11 VAL 12 1HG1 VAL 12 -8.085 -13.047 -2.356 72 HG12 VAL 12 2HG1 VAL 12 -9.132 -14.436 -2.652 73 HG13 VAL 12 3HG1 VAL 12 -8.396 -13.581 -4.008 74 HG21 VAL 12 1HG2 VAL 12 -11.023 -11.676 -1.412 75 HG22 VAL 12 2HG2 VAL 12 -9.285 -11.882 -1.200 76 HG23 VAL 12 3HG2 VAL 12 -9.900 -10.591 -2.233 77 H ALA 13 H ALA 13 -10.396 -9.256 -4.130 78 HA ALA 13 HA ALA 13 -13.036 -9.159 -5.269 79 HB1 ALA 13 1HB ALA 13 -13.591 -9.971 -3.047 80 HB2 ALA 13 2HB ALA 13 -12.703 -8.633 -2.318 81 HB3 ALA 13 3HB ALA 13 -14.160 -8.315 -3.260 82 H THR 14 H THR 14 -13.737 -7.048 -5.705 83 HA THR 14 HA THR 14 -11.969 -4.849 -4.933 84 HB THR 14 HB THR 14 -12.774 -5.263 -7.814 85 HG1 THR 14 1HG THR 14 -10.503 -6.099 -6.375 86 HG21 THR 14 1HG2 THR 14 -10.472 -3.636 -7.466 87 HG22 THR 14 2HG2 THR 14 -11.717 -3.055 -6.360 88 HG23 THR 14 3HG2 THR 14 -12.057 -3.173 -8.087 89 H ALA 15 H ALA 15 -13.186 -3.269 -4.151 90 HA ALA 15 HA ALA 15 -15.824 -2.781 -5.366 91 HB1 ALA 15 1HB ALA 15 -16.264 -3.881 -3.292 92 HB2 ALA 15 2HB ALA 15 -15.146 -2.822 -2.431 93 HB3 ALA 15 3HB ALA 15 -16.647 -2.171 -3.088 94 HA PRO 16 HA PRO 16 -14.054 1.273 -5.844 95 HB2 PRO 16 1HB PRO 16 -16.258 2.421 -6.939 96 HB3 PRO 16 2HB PRO 16 -15.179 1.354 -7.846 97 HG2 PRO 16 1HG PRO 16 -17.803 0.733 -6.547 98 HG3 PRO 16 2HG PRO 16 -17.195 0.233 -8.136 99 HD2 PRO 16 1HD PRO 16 -17.155 -1.403 -5.979 100 HD3 PRO 16 2HD PRO 16 -15.918 -1.469 -7.250 101 H ILE 17 H ILE 17 -13.829 2.697 -4.247 102 HA ILE 17 HA ILE 17 -15.759 2.954 -2.152 103 HB ILE 17 HB ILE 17 -13.260 4.553 -2.714 104 HG12 ILE 17 1HG1 ILE 17 -13.861 2.101 -1.091 105 HG13 ILE 17 2HG1 ILE 17 -12.536 2.391 -2.213 106 HG21 ILE 17 1HG2 ILE 17 -13.463 5.540 -0.589 107 HG22 ILE 17 2HG2 ILE 17 -15.061 5.681 -1.321 108 HG23 ILE 17 3HG2 ILE 17 -14.753 4.436 -0.110 109 HD11 ILE 17 1HD1 ILE 17 -12.851 3.598 0.525 110 HD12 ILE 17 2HD1 ILE 17 -11.723 2.325 0.056 111 HD13 ILE 17 3HD1 ILE 17 -11.541 3.951 -0.603 112 HA PRO 18 HA PRO 18 -18.228 6.167 -3.906 113 HB2 PRO 18 1HB PRO 18 -19.426 7.008 -1.619 114 HB3 PRO 18 2HB PRO 18 -19.858 5.499 -2.431 115 HG2 PRO 18 1HG PRO 18 -18.078 5.934 -0.063 116 HG3 PRO 18 2HG PRO 18 -19.307 4.683 -0.324 117 HD2 PRO 18 1HD PRO 18 -16.661 4.218 -0.659 118 HD3 PRO 18 2HD PRO 18 -17.904 3.399 -1.625 119 H GLY 19 H GLY 19 -18.021 8.316 -4.294 120 HA2 GLY 19 1HA GLY 19 -17.405 10.529 -3.969 121 HA3 GLY 19 2HA GLY 19 -16.850 10.104 -2.356 122 H THR 20 H THR 20 -14.943 8.253 -2.763 123 HA THR 20 HA THR 20 -12.884 9.806 -4.151 124 HB THR 20 HB THR 20 -11.317 8.934 -2.726 125 HG1 THR 20 1HG THR 20 -12.915 6.626 -2.830 126 HG21 THR 20 1HG2 THR 20 -12.344 8.597 -0.445 127 HG22 THR 20 2HG2 THR 20 -13.922 8.721 -1.224 128 HG23 THR 20 3HG2 THR 20 -12.806 10.086 -1.269 129 HA PRO 21 HA PRO 21 -12.566 6.943 -7.477 130 HB2 PRO 21 1HB PRO 21 -9.984 7.373 -8.194 131 HB3 PRO 21 2HB PRO 21 -11.278 8.530 -8.528 132 HG2 PRO 21 1HG PRO 21 -9.255 8.536 -6.322 133 HG3 PRO 21 2HG PRO 21 -9.825 9.886 -7.321 134 HD2 PRO 21 1HD PRO 21 -10.730 9.451 -4.806 135 HD3 PRO 21 2HD PRO 21 -11.747 10.159 -6.078 136 H TRP 22 H TRP 22 -11.020 6.547 -4.541 137 HA TRP 22 HA TRP 22 -9.257 4.399 -5.165 138 HB2 TRP 22 1HB TRP 22 -10.481 5.367 -2.583 139 HB3 TRP 22 2HB TRP 22 -9.393 3.984 -2.654 140 HD1 TRP 22 HD TRP 22 -9.425 7.774 -2.792 141 HE1 TRP 22 1HE TRP 22 -7.001 8.639 -2.761 142 HE3 TRP 22 3HE TRP 22 -6.970 3.331 -3.402 143 HZ2 TRP 22 2HZ TRP 22 -4.394 7.578 -2.969 144 HZ3 TRP 22 3HZ TRP 22 -4.511 3.343 -3.476 145 HH2 TRP 22 HH TRP 22 -3.251 5.424 -3.264 146 H CYS 23 H CYS 23 -9.525 2.179 -4.805 147 HA CYS 23 HA CYS 23 -12.293 1.261 -4.432 148 HB2 CYS 23 1HB CYS 23 -10.351 0.181 -6.485 149 HB3 CYS 23 2HB CYS 23 -11.976 -0.421 -6.185 150 HG CYS 23 HG CYS 23 -11.003 2.389 -7.803 151 H VAL 24 H VAL 24 -12.393 -0.013 -2.717 152 HA VAL 24 HA VAL 24 -10.120 -1.083 -1.422 153 HB VAL 24 HB VAL 24 -13.037 -1.787 -1.072 154 HG11 VAL 24 1HG1 VAL 24 -11.976 -2.367 1.299 155 HG12 VAL 24 2HG1 VAL 24 -12.091 -3.555 -0.001 156 HG13 VAL 24 3HG1 VAL 24 -10.571 -2.708 0.290 157 HG21 VAL 24 1HG2 VAL 24 -13.031 0.368 -0.369 158 HG22 VAL 24 2HG2 VAL 24 -12.404 -0.366 1.107 159 HG23 VAL 24 3HG2 VAL 24 -11.297 0.375 -0.049 160 H VAL 25 H VAL 25 -8.926 -2.715 -2.134 161 HA VAL 25 HA VAL 25 -10.277 -4.968 -3.474 162 HB VAL 25 HB VAL 25 -7.467 -3.954 -3.924 163 HG11 VAL 25 1HG1 VAL 25 -7.187 -6.190 -4.306 164 HG12 VAL 25 2HG1 VAL 25 -8.877 -6.440 -4.749 165 HG13 VAL 25 3HG1 VAL 25 -7.766 -5.685 -5.893 166 HG21 VAL 25 1HG2 VAL 25 -10.039 -3.634 -5.381 167 HG22 VAL 25 2HG2 VAL 25 -8.719 -2.486 -5.153 168 HG23 VAL 25 3HG2 VAL 25 -8.558 -3.794 -6.326 169 H TRP 26 H TRP 26 -10.251 -6.793 -2.357 170 HA TRP 26 HA TRP 26 -8.498 -7.089 -0.072 171 HB2 TRP 26 1HB TRP 26 -10.751 -8.754 -1.189 172 HB3 TRP 26 2HB TRP 26 -9.762 -9.297 0.164 173 HD1 TRP 26 HD TRP 26 -10.280 -8.295 2.523 174 HE1 TRP 26 1HE TRP 26 -12.092 -6.706 3.426 175 HE3 TRP 26 3HE TRP 26 -12.194 -6.641 -1.919 176 HZ2 TRP 26 2HZ TRP 26 -14.072 -4.980 2.391 177 HZ3 TRP 26 3HZ TRP 26 -14.046 -5.022 -1.876 178 HH2 TRP 26 HH TRP 26 -14.964 -4.210 0.236 179 H THR 27 H THR 27 -7.450 -9.282 0.271 180 HA THR 27 HA THR 27 -6.323 -10.321 -2.241 181 HB THR 27 HB THR 27 -4.133 -10.596 -0.978 182 HG1 THR 27 1HG THR 27 -5.085 -10.132 1.117 183 HG21 THR 27 1HG2 THR 27 -4.820 -8.736 -2.672 184 HG22 THR 27 2HG2 THR 27 -3.341 -8.552 -1.729 185 HG23 THR 27 3HG2 THR 27 -4.804 -7.692 -1.251 186 H GLY 28 H GLY 28 -5.005 -12.403 -1.735 187 HA2 GLY 28 1HA GLY 28 -6.839 -14.248 -0.529 188 HA3 GLY 28 2HA GLY 28 -5.285 -14.643 -1.249 189 H ASP 29 H ASP 29 -4.127 -12.481 0.608 190 HA ASP 29 HA ASP 29 -3.634 -14.317 2.816 191 HB2 ASP 29 1HB ASP 29 -1.874 -12.892 1.456 192 HB3 ASP 29 2HB ASP 29 -2.319 -11.640 2.612 193 H GLU 30 H GLU 30 -6.188 -13.404 2.936 194 HA GLU 30 HA GLU 30 -7.704 -12.133 4.114 195 HB2 GLU 30 1HB GLU 30 -5.670 -12.851 6.231 196 HB3 GLU 30 2HB GLU 30 -7.292 -12.263 6.568 197 HG2 GLU 30 1HG GLU 30 -8.284 -14.207 5.650 198 HG3 GLU 30 2HG GLU 30 -6.751 -14.748 4.970 199 H ARG 31 H ARG 31 -6.045 -10.423 2.735 200 HA ARG 31 HA ARG 31 -5.830 -8.182 4.626 201 HB2 ARG 31 1HB ARG 31 -3.779 -9.223 2.734 202 HB3 ARG 31 2HB ARG 31 -3.899 -7.480 2.932 203 HG2 ARG 31 1HG ARG 31 -3.785 -8.014 5.466 204 HG3 ARG 31 2HG ARG 31 -3.127 -9.561 4.928 205 HD2 ARG 31 1HD ARG 31 -2.005 -7.017 3.839 206 HD3 ARG 31 2HD ARG 31 -1.536 -7.553 5.452 207 HE ARG 31 HE ARG 31 -1.278 -9.592 3.447 208 HH11 ARG 31 2HH1 ARG 31 0.271 -6.872 4.971 209 HH12 ARG 31 1HH1 ARG 31 1.874 -7.400 4.583 210 HH21 ARG 31 2HH2 ARG 31 0.829 -10.298 2.929 211 HH22 ARG 31 1HH2 ARG 31 2.190 -9.349 3.420 212 H VAL 32 H VAL 32 -5.616 -6.048 3.345 213 HA VAL 32 HA VAL 32 -6.995 -6.061 0.788 214 HB VAL 32 HB VAL 32 -8.895 -6.032 2.255 215 HG11 VAL 32 1HG1 VAL 32 -7.198 -4.223 3.834 216 HG12 VAL 32 2HG1 VAL 32 -8.907 -3.787 3.765 217 HG13 VAL 32 3HG1 VAL 32 -8.424 -5.377 4.357 218 HG21 VAL 32 1HG2 VAL 32 -8.918 -3.161 1.759 219 HG22 VAL 32 2HG2 VAL 32 -8.370 -4.100 0.371 220 HG23 VAL 32 3HG2 VAL 32 -9.943 -4.433 1.095 221 H PHE 33 H PHE 33 -6.585 -4.265 -0.444 222 HA PHE 33 HA PHE 33 -5.023 -2.107 0.800 223 HB2 PHE 33 1HB PHE 33 -3.506 -2.062 -1.102 224 HB3 PHE 33 2HB PHE 33 -3.496 -3.664 -0.371 225 HD1 PHE 33 1HD PHE 33 -4.801 -5.506 -1.471 226 HD2 PHE 33 2HD PHE 33 -4.079 -1.757 -3.353 227 HE1 PHE 33 1HE PHE 33 -5.320 -6.507 -3.658 228 HE2 PHE 33 2HE PHE 33 -4.598 -2.752 -5.543 229 HZ PHE 33 HZ PHE 33 -5.220 -5.130 -5.697 230 H PHE 34 H PHE 34 -4.894 -0.150 -0.628 231 HA PHE 34 HA PHE 34 -7.511 0.276 -1.887 232 HB2 PHE 34 1HB PHE 34 -5.555 2.426 -1.086 233 HB3 PHE 34 2HB PHE 34 -7.281 2.586 -1.394 234 HD1 PHE 34 2HD PHE 34 -4.861 0.964 0.915 235 HD2 PHE 34 1HD PHE 34 -8.783 2.525 0.366 236 HE1 PHE 34 2HE PHE 34 -5.311 0.668 3.316 237 HE2 PHE 34 1HE PHE 34 -9.238 2.233 2.767 238 HZ PHE 34 HZ PHE 34 -7.502 1.303 4.244 239 H TYR 35 H TYR 35 -7.695 0.686 -4.001 240 HA TYR 35 HA TYR 35 -5.226 1.214 -5.523 241 HB2 TYR 35 1HB TYR 35 -5.890 -0.994 -6.087 242 HB3 TYR 35 2HB TYR 35 -7.585 -0.535 -6.207 243 HD1 TYR 35 1HD TYR 35 -4.333 0.511 -7.742 244 HD2 TYR 35 2HD TYR 35 -8.437 -0.441 -8.340 245 HE1 TYR 35 1HE TYR 35 -4.058 0.869 -10.160 246 HE2 TYR 35 2HE TYR 35 -8.172 -0.087 -10.760 247 HH TYR 35 HH TYR 35 -5.133 0.200 -12.255 248 H ASN 36 H ASN 36 -5.468 2.468 -7.467 249 HA ASN 36 HA ASN 36 -7.920 4.080 -7.597 250 HB2 ASN 36 1HB ASN 36 -6.105 5.290 -6.343 251 HB3 ASN 36 2HB ASN 36 -5.141 5.249 -7.817 252 HD21 ASN 36 1HD2 ASN 36 -6.655 7.343 -6.100 253 HD22 ASN 36 2HD2 ASN 36 -7.430 8.322 -7.294 254 HA PRO 37 HA PRO 37 -7.129 2.556 -11.800 255 HB2 PRO 37 1HB PRO 37 -9.710 2.817 -12.600 256 HB3 PRO 37 2HB PRO 37 -9.125 1.424 -11.682 257 HG2 PRO 37 1HG PRO 37 -10.593 3.848 -10.717 258 HG3 PRO 37 2HG PRO 37 -10.833 2.146 -10.279 259 HD2 PRO 37 1HD PRO 37 -9.469 3.878 -8.705 260 HD3 PRO 37 2HD PRO 37 -9.070 2.150 -8.793 261 H THR 38 H THR 38 -7.928 5.549 -10.522 262 HA THR 38 HA THR 38 -8.208 6.843 -13.134 263 HB THR 38 HB THR 38 -8.443 8.047 -10.369 264 HG1 THR 38 1HG THR 38 -10.283 6.872 -12.135 265 HG21 THR 38 1HG2 THR 38 -7.773 9.634 -12.166 266 HG22 THR 38 2HG2 THR 38 -9.354 9.990 -11.471 267 HG23 THR 38 3HG2 THR 38 -9.239 9.199 -13.043 268 H THR 39 H THR 39 -6.018 6.536 -10.430 269 HA THR 39 HA THR 39 -4.084 8.241 -11.860 270 HB THR 39 HB THR 39 -3.038 8.717 -9.657 271 HG1 THR 39 1HG THR 39 -3.675 7.547 -8.023 272 HG21 THR 39 1HG2 THR 39 -5.760 9.629 -9.119 273 HG22 THR 39 2HG2 THR 39 -5.253 9.892 -10.788 274 HG23 THR 39 3HG2 THR 39 -4.302 10.559 -9.461 275 H ARG 40 H ARG 40 -4.731 5.202 -11.646 276 HA ARG 40 HA ARG 40 -3.602 3.216 -11.441 277 HB2 ARG 40 1HB ARG 40 -1.424 4.925 -12.657 278 HB3 ARG 40 2HB ARG 40 -1.502 3.169 -12.706 279 HG2 ARG 40 1HG ARG 40 -3.852 3.674 -13.816 280 HG3 ARG 40 2HG ARG 40 -3.043 5.185 -14.237 281 HD2 ARG 40 1HD ARG 40 -2.529 3.861 -16.052 282 HD3 ARG 40 2HD ARG 40 -1.120 3.614 -15.021 283 HE ARG 40 HE ARG 40 -3.084 1.659 -14.473 284 HH11 ARG 40 2HH1 ARG 40 -0.733 2.569 -16.873 285 HH12 ARG 40 1HH1 ARG 40 -0.496 0.951 -17.444 286 HH21 ARG 40 2HH2 ARG 40 -2.781 -0.477 -15.215 287 HH22 ARG 40 1HH2 ARG 40 -1.662 -0.781 -16.501 288 H LEU 41 H LEU 41 -3.579 4.570 -9.019 289 HA LEU 41 HA LEU 41 -0.855 4.086 -8.008 290 HB2 LEU 41 1HB LEU 41 -2.044 6.393 -7.803 291 HB3 LEU 41 2HB LEU 41 -2.932 5.614 -6.495 292 HG LEU 41 HG LEU 41 -1.026 6.957 -5.700 293 HD11 LEU 41 1HD1 LEU 41 -1.893 4.789 -4.610 294 HD12 LEU 41 2HD1 LEU 41 -0.345 5.444 -4.076 295 HD13 LEU 41 3HD1 LEU 41 -0.386 4.077 -5.189 296 HD21 LEU 41 1HD2 LEU 41 0.311 5.719 -7.848 297 HD22 LEU 41 2HD2 LEU 41 1.087 5.151 -6.369 298 HD23 LEU 41 3HD2 LEU 41 0.958 6.881 -6.689 299 H SER 42 H SER 42 -0.529 2.604 -6.445 300 HA SER 42 HA SER 42 -2.857 1.447 -5.085 301 HB2 SER 42 1HB SER 42 -1.945 -0.834 -5.455 302 HB3 SER 42 2HB SER 42 -2.411 -0.041 -6.959 303 HG SER 42 HG SER 42 0.227 -0.174 -5.916 304 H MET 43 H MET 43 -2.537 1.515 -2.971 305 HA MET 43 HA MET 43 0.218 1.269 -1.955 306 HB2 MET 43 1HB MET 43 -1.937 2.790 -0.513 307 HB3 MET 43 2HB MET 43 -0.194 2.883 -0.297 308 HG2 MET 43 1HG MET 43 -0.234 3.744 -2.763 309 HG3 MET 43 2HG MET 43 -1.914 4.117 -2.387 310 HE1 MET 43 1HE MET 43 -0.943 6.120 1.084 311 HE2 MET 43 2HE MET 43 -2.142 5.012 0.417 312 HE3 MET 43 3HE MET 43 -0.582 4.398 0.967 313 H TRP 44 H TRP 44 0.487 0.211 0.066 314 HA TRP 44 HA TRP 44 -1.446 -1.906 0.482 315 HB2 TRP 44 1HB TRP 44 1.356 -1.370 1.352 316 HB3 TRP 44 2HB TRP 44 0.380 -2.460 2.334 317 HD1 TRP 44 HD TRP 44 2.466 -2.375 -0.749 318 HE1 TRP 44 1HE TRP 44 2.341 -4.639 -1.966 319 HE3 TRP 44 3HE TRP 44 -1.444 -4.453 1.806 320 HZ2 TRP 44 2HZ TRP 44 0.789 -6.995 -1.858 321 HZ3 TRP 44 3HZ TRP 44 -2.187 -6.716 1.187 322 HH2 TRP 44 HH TRP 44 -1.093 -7.958 -0.607 323 H ASP 45 H ASP 45 -0.954 1.175 1.691 324 HA ASP 45 HA ASP 45 -2.412 0.515 4.167 325 HB2 ASP 45 1HB ASP 45 0.000 1.436 4.350 326 HB3 ASP 45 2HB ASP 45 -0.708 2.974 3.865 327 H ARG 46 H ARG 46 -3.513 2.641 5.027 328 HA ARG 46 HA ARG 46 -5.285 3.503 2.890 329 HB2 ARG 46 1HB ARG 46 -6.061 2.701 5.187 330 HB3 ARG 46 2HB ARG 46 -5.483 4.243 5.805 331 HG2 ARG 46 1HG ARG 46 -7.340 4.284 3.491 332 HG3 ARG 46 2HG ARG 46 -7.993 3.877 5.079 333 HD2 ARG 46 1HD ARG 46 -6.232 6.269 4.763 334 HD3 ARG 46 2HD ARG 46 -7.926 6.362 4.282 335 HE ARG 46 HE ARG 46 -6.887 6.268 6.957 336 HH11 ARG 46 2HH1 ARG 46 -9.641 5.591 4.937 337 HH12 ARG 46 1HH1 ARG 46 -10.784 5.702 6.234 338 HH21 ARG 46 2HH2 ARG 46 -8.382 6.417 8.673 339 HH22 ARG 46 1HH2 ARG 46 -10.067 6.173 8.359 340 HA PRO 47 HA PRO 47 -2.801 7.231 2.529 341 HB2 PRO 47 1HB PRO 47 -4.081 8.145 0.316 342 HB3 PRO 47 2HB PRO 47 -2.842 6.885 0.258 343 HG2 PRO 47 1HG PRO 47 -5.822 6.613 0.221 344 HG3 PRO 47 2HG PRO 47 -4.609 5.762 -0.753 345 HD2 PRO 47 1HD PRO 47 -5.780 4.644 1.418 346 HD3 PRO 47 2HD PRO 47 -4.110 4.277 0.938 347 H ASP 48 H ASP 48 -3.246 9.515 2.612 348 HA ASP 48 HA ASP 48 -5.243 10.234 4.427 349 HB2 ASP 48 1HB ASP 48 -3.341 11.713 2.681 350 HB3 ASP 48 2HB ASP 48 -4.694 12.620 3.353 351 H ASP 49 H ASP 49 -5.136 10.522 0.900 352 HA ASP 49 HA ASP 49 -7.295 12.020 0.296 353 HB2 ASP 49 1HB ASP 49 -6.483 9.395 -0.961 354 HB3 ASP 49 2HB ASP 49 -7.681 10.480 -1.661 355 H LEU 50 H LEU 50 -7.341 8.941 1.878 356 HA LEU 50 HA LEU 50 -10.276 8.862 1.712 357 HB2 LEU 50 1HB LEU 50 -8.248 6.729 2.340 358 HB3 LEU 50 2HB LEU 50 -9.982 6.510 2.570 359 HG LEU 50 HG LEU 50 -8.629 7.062 -0.071 360 HD11 LEU 50 1HD1 LEU 50 -8.380 4.764 1.207 361 HD12 LEU 50 2HD1 LEU 50 -8.652 4.832 -0.533 362 HD13 LEU 50 3HD1 LEU 50 -9.999 4.504 0.557 363 HD21 LEU 50 1HD2 LEU 50 -11.326 7.349 0.763 364 HD22 LEU 50 2HD2 LEU 50 -11.231 5.952 -0.309 365 HD23 LEU 50 3HD2 LEU 50 -10.650 7.525 -0.856 366 H ILE 51 H ILE 51 -7.550 8.972 3.903 367 HA ILE 51 HA ILE 51 -8.563 8.360 6.335 368 HB ILE 51 HB ILE 51 -6.801 10.689 5.598 369 HG12 ILE 51 1HG1 ILE 51 -6.204 8.040 6.933 370 HG13 ILE 51 2HG1 ILE 51 -5.925 8.398 5.233 371 HG21 ILE 51 1HG2 ILE 51 -6.234 10.858 7.987 372 HG22 ILE 51 2HG2 ILE 51 -7.920 11.260 7.667 373 HG23 ILE 51 3HG2 ILE 51 -7.504 9.691 8.354 374 HD11 ILE 51 1HD1 ILE 51 -4.658 10.406 6.788 375 HD12 ILE 51 2HD1 ILE 51 -4.203 8.825 7.424 376 HD13 ILE 51 3HD1 ILE 51 -3.931 9.203 5.723 377 H GLY 52 H GLY 52 -10.255 8.958 7.516 378 HA2 GLY 52 1HA GLY 52 -11.503 10.712 8.618 379 HA3 GLY 52 2HA GLY 52 -11.322 11.684 7.165 380 H ARG 53 H ARG 53 -11.986 9.557 5.329 381 HA ARG 53 HA ARG 53 -14.789 9.893 5.252 382 HB2 ARG 53 1HB ARG 53 -12.863 8.159 3.727 383 HB3 ARG 53 2HB ARG 53 -14.598 8.034 3.465 384 HG2 ARG 53 1HG ARG 53 -14.349 10.668 3.203 385 HG3 ARG 53 2HG ARG 53 -12.716 10.194 2.731 386 HD2 ARG 53 1HD ARG 53 -13.729 10.062 0.697 387 HD3 ARG 53 2HD ARG 53 -14.056 8.429 1.276 388 HE ARG 53 HE ARG 53 -16.263 8.944 1.125 389 HH11 ARG 53 2HH1 ARG 53 -14.504 11.884 1.743 390 HH12 ARG 53 1HH1 ARG 53 -15.916 12.888 1.715 391 HH21 ARG 53 2HH2 ARG 53 -18.129 10.255 1.087 392 HH22 ARG 53 1HH2 ARG 53 -17.977 11.960 1.343 393 H ALA 54 H ALA 54 -16.464 8.529 5.749 394 HA ALA 54 HA ALA 54 -15.862 6.442 7.679 395 HB1 ALA 54 1HB ALA 54 -18.279 6.416 8.085 396 HB2 ALA 54 2HB ALA 54 -17.611 8.044 8.213 397 HB3 ALA 54 3HB ALA 54 -18.508 7.569 6.770 398 H ASP 55 H ASP 55 -17.155 6.780 4.437 399 HA ASP 55 HA ASP 55 -18.218 4.201 4.127 400 HB2 ASP 55 1HB ASP 55 -17.593 4.706 1.616 401 HB3 ASP 55 2HB ASP 55 -18.871 5.610 2.423 402 H VAL 56 H VAL 56 -15.015 5.477 3.234 403 HA VAL 56 HA VAL 56 -13.906 3.176 2.177 404 HB VAL 56 HB VAL 56 -12.703 5.235 2.004 405 HG11 VAL 56 1HG1 VAL 56 -11.792 6.441 3.863 406 HG12 VAL 56 2HG1 VAL 56 -13.510 6.174 4.168 407 HG13 VAL 56 3HG1 VAL 56 -12.302 5.185 4.991 408 HG21 VAL 56 1HG2 VAL 56 -10.458 4.558 2.960 409 HG22 VAL 56 2HG2 VAL 56 -11.281 3.166 3.664 410 HG23 VAL 56 3HG2 VAL 56 -11.244 3.376 1.914 411 H ASP 57 H ASP 57 -14.357 4.086 5.534 412 HA ASP 57 HA ASP 57 -12.750 1.963 6.593 413 HB2 ASP 57 1HB ASP 57 -14.568 4.041 7.721 414 HB3 ASP 57 2HB ASP 57 -14.206 2.632 8.714 415 H LYS 58 H LYS 58 -16.267 2.565 6.609 416 HA LYS 58 HA LYS 58 -17.141 0.207 7.691 417 HB2 LYS 58 1HB LYS 58 -18.699 1.967 7.205 418 HB3 LYS 58 2HB LYS 58 -18.367 1.860 5.481 419 HG2 LYS 58 1HG LYS 58 -19.323 -0.440 5.509 420 HG3 LYS 58 2HG LYS 58 -19.791 -0.167 7.189 421 HD2 LYS 58 1HD LYS 58 -20.956 1.954 6.267 422 HD3 LYS 58 2HD LYS 58 -20.813 1.154 4.700 423 HE2 LYS 58 1HE LYS 58 -22.951 0.594 5.561 424 HE3 LYS 58 2HE LYS 58 -21.941 -0.841 5.739 425 HZ1 LYS 58 1HZ LYS 58 -22.504 1.114 7.902 426 HZ2 LYS 58 2HZ LYS 58 -21.626 -0.323 8.054 427 HZ3 LYS 58 3HZ LYS 58 -23.283 -0.376 7.719 428 H ILE 59 H ILE 59 -16.576 0.831 4.229 429 HA ILE 59 HA ILE 59 -17.253 -1.613 3.180 430 HB ILE 59 HB ILE 59 -14.948 0.152 2.348 431 HG12 ILE 59 1HG1 ILE 59 -17.703 -0.063 1.132 432 HG13 ILE 59 2HG1 ILE 59 -17.296 1.121 2.369 433 HG21 ILE 59 1HG2 ILE 59 -15.913 -1.217 0.126 434 HG22 ILE 59 2HG2 ILE 59 -14.381 -1.486 0.955 435 HG23 ILE 59 3HG2 ILE 59 -15.799 -2.436 1.395 436 HD11 ILE 59 1HD1 ILE 59 -15.467 1.079 0.087 437 HD12 ILE 59 2HD1 ILE 59 -17.124 1.541 -0.299 438 HD13 ILE 59 3HD1 ILE 59 -16.221 2.437 0.921 439 H ILE 60 H ILE 60 -14.062 -0.664 4.443 440 HA ILE 60 HA ILE 60 -12.838 -3.174 4.039 441 HB ILE 60 HB ILE 60 -12.153 -0.931 5.937 442 HG12 ILE 60 1HG1 ILE 60 -10.684 -1.795 3.451 443 HG13 ILE 60 2HG1 ILE 60 -12.014 -0.643 3.389 444 HG21 ILE 60 1HG2 ILE 60 -11.182 -2.809 6.947 445 HG22 ILE 60 2HG2 ILE 60 -10.750 -3.528 5.396 446 HG23 ILE 60 3HG2 ILE 60 -9.886 -2.106 5.980 447 HD11 ILE 60 1HD1 ILE 60 -10.065 0.073 5.401 448 HD12 ILE 60 2HD1 ILE 60 -9.347 -0.067 3.795 449 HD13 ILE 60 3HD1 ILE 60 -10.711 1.019 4.060 450 H GLN 61 H GLN 61 -14.710 -1.833 6.685 451 HA GLN 61 HA GLN 61 -14.088 -3.814 8.606 452 HB2 GLN 61 1HB GLN 61 -16.480 -1.989 8.337 453 HB3 GLN 61 2HB GLN 61 -16.179 -3.014 9.734 454 HG2 GLN 61 1HG GLN 61 -13.875 -1.782 9.768 455 HG3 GLN 61 2HG GLN 61 -14.745 -0.567 8.833 456 HE21 GLN 61 1HE2 GLN 61 -15.288 -2.588 11.703 457 HE22 GLN 61 2HE2 GLN 61 -15.951 -1.324 12.677 458 H GLU 62 H GLU 62 -16.797 -3.458 6.335 459 HA GLU 62 HA GLU 62 -17.456 -6.290 6.819 460 HB2 GLU 62 1HB GLU 62 -19.169 -3.892 6.388 461 HB3 GLU 62 2HB GLU 62 -19.726 -5.425 5.733 462 HG2 GLU 62 1HG GLU 62 -20.709 -5.486 7.781 463 HG3 GLU 62 2HG GLU 62 -19.183 -6.287 8.152 464 HA PRO 63 HA PRO 63 -15.925 -6.140 2.501 465 HB2 PRO 63 1HB PRO 63 -14.927 -8.665 2.551 466 HB3 PRO 63 2HB PRO 63 -14.031 -7.265 3.153 467 HG2 PRO 63 1HG PRO 63 -15.607 -9.303 4.677 468 HG3 PRO 63 2HG PRO 63 -14.024 -8.600 5.057 469 HD2 PRO 63 1HD PRO 63 -16.311 -7.766 6.243 470 HD3 PRO 63 2HD PRO 63 -14.947 -6.675 5.925 471 HA PRO 64 HA PRO 64 -19.495 -8.155 0.838 472 HB2 PRO 64 1HB PRO 64 -18.730 -8.198 -1.766 473 HB3 PRO 64 2HB PRO 64 -19.272 -6.728 -0.949 474 HG2 PRO 64 1HG PRO 64 -16.485 -7.662 -1.515 475 HG3 PRO 64 2HG PRO 64 -17.175 -6.036 -1.677 476 HD2 PRO 64 1HD PRO 64 -15.658 -6.770 0.442 477 HD3 PRO 64 2HD PRO 64 -16.979 -5.592 0.576 478 H HIS 65 H HIS 65 -16.392 -9.266 -0.541 479 HA HIS 65 HA HIS 65 -17.189 -11.772 -1.383 480 HB2 HIS 65 1HB HIS 65 -14.920 -12.324 -1.553 481 HB3 HIS 65 2HB HIS 65 -14.922 -10.567 -1.679 482 HD1 HIS 65 1HD HIS 65 -14.120 -9.245 0.472 483 HD2 HIS 65 2HD HIS 65 -13.500 -13.352 0.567 484 HE1 HIS 65 1HE HIS 65 -12.477 -9.634 2.336 485 H LYS 66 H LYS 66 -16.619 -10.628 1.833 486 HA LYS 66 HA LYS 66 -16.511 -13.298 2.969 487 HB2 LYS 66 1HB LYS 66 -15.333 -11.054 3.776 488 HB3 LYS 66 2HB LYS 66 -16.837 -10.872 4.669 489 HG2 LYS 66 1HG LYS 66 -15.133 -13.344 4.814 490 HG3 LYS 66 2HG LYS 66 -14.948 -11.971 5.908 491 HD2 LYS 66 1HD LYS 66 -17.657 -13.158 5.549 492 HD3 LYS 66 2HD LYS 66 -16.478 -14.026 6.534 493 HE2 LYS 66 1HE LYS 66 -17.506 -12.710 8.116 494 HE3 LYS 66 2HE LYS 66 -16.138 -11.695 7.661 495 HZ1 LYS 66 1HZ LYS 66 -18.681 -10.865 7.705 496 HZ2 LYS 66 2HZ LYS 66 -18.529 -11.305 6.079 497 HZ3 LYS 66 3HZ LYS 66 -17.475 -10.164 6.748 498 H LYS 67 H LYS 67 -18.664 -13.813 2.030 499 HA LYS 67 HA LYS 67 -20.746 -13.174 3.986 500 HB2 LYS 67 1HB LYS 67 -21.119 -13.009 0.989 501 HB3 LYS 67 2HB LYS 67 -22.413 -12.896 2.176 502 HG2 LYS 67 1HG LYS 67 -20.133 -11.015 2.432 503 HG3 LYS 67 2HG LYS 67 -21.284 -10.755 1.119 504 HD2 LYS 67 1HD LYS 67 -22.314 -9.543 2.754 505 HD3 LYS 67 2HD LYS 67 -23.030 -11.123 3.083 506 HE2 LYS 67 1HE LYS 67 -21.467 -11.529 4.854 507 HE3 LYS 67 2HE LYS 67 -20.552 -10.079 4.444 508 HZ1 LYS 67 1HZ LYS 67 -22.314 -10.095 6.374 509 HZ2 LYS 67 2HZ LYS 67 -23.383 -9.764 5.106 510 HZ3 LYS 67 3HZ LYS 67 -22.082 -8.726 5.407 511 H SER 68 H SER 68 -21.296 -15.068 4.828 512 HA SER 68 HA SER 68 -22.093 -17.241 3.081 513 HB2 SER 68 1HB SER 68 -19.689 -17.362 4.861 514 HB3 SER 68 2HB SER 68 -20.667 -18.813 4.645 515 HG SER 68 HG SER 68 -20.408 -18.319 2.301 516 H GLY 69 H GLY 69 -22.977 -19.111 4.420 517 HA2 GLY 69 1HA GLY 69 -24.115 -19.914 6.309 518 HA3 GLY 69 2HA GLY 69 -23.914 -18.344 7.071 519 HA PRO 70 HA PRO 70 -28.144 -18.957 4.835 520 HB2 PRO 70 1HB PRO 70 -29.614 -20.166 6.770 521 HB3 PRO 70 2HB PRO 70 -28.738 -21.066 5.527 522 HG2 PRO 70 1HG PRO 70 -27.955 -20.498 8.360 523 HG3 PRO 70 2HG PRO 70 -27.808 -22.007 7.439 524 HD2 PRO 70 1HD PRO 70 -25.717 -20.332 7.838 525 HD3 PRO 70 2HD PRO 70 -25.890 -21.311 6.367 526 H SER 71 H SER 71 -30.371 -18.276 5.942 527 HA SER 71 HA SER 71 -31.520 -16.509 6.808 528 HB2 SER 71 1HB SER 71 -30.907 -17.806 8.887 529 HB3 SER 71 2HB SER 71 -29.556 -16.692 9.101 530 HG SER 71 HG SER 71 -31.402 -15.049 8.856 531 H SER 72 H SER 72 -29.676 -15.721 4.947 532 HA SER 72 HA SER 72 -28.475 -13.289 6.089 533 HB2 SER 72 1HB SER 72 -27.704 -15.081 3.832 534 HB3 SER 72 2HB SER 72 -27.319 -13.365 3.692 535 HG SER 72 HG SER 72 -25.868 -13.556 5.224 536 H GLY 73 H GLY 73 -30.487 -12.158 6.051 537 HA2 GLY 73 1HA GLY 73 -32.287 -11.821 4.050 538 HA3 GLY 73 2HA GLY 73 -31.781 -10.500 5.093 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.037 -15.419 -17.787 2 HA2 GLY 1 1HA GLY 1 -10.042 -15.650 -15.430 3 HA3 GLY 1 2HA GLY 1 -8.697 -16.391 -16.285 4 H SER 2 H SER 2 -8.372 -14.156 -14.665 5 HA SER 2 HA SER 2 -8.535 -11.652 -15.725 6 HB2 SER 2 1HB SER 2 -6.155 -12.801 -14.245 7 HB3 SER 2 2HB SER 2 -6.510 -11.084 -14.437 8 HG SER 2 HG SER 2 -7.854 -11.232 -12.839 9 H SER 3 H SER 3 -7.158 -10.315 -16.972 10 HA SER 3 HA SER 3 -5.426 -11.797 -18.841 11 HB2 SER 3 1HB SER 3 -7.206 -9.411 -19.384 12 HB3 SER 3 2HB SER 3 -6.043 -10.065 -20.538 13 HG SER 3 HG SER 3 -8.069 -11.654 -19.366 14 H GLY 4 H GLY 4 -3.559 -10.722 -19.628 15 HA2 GLY 4 1HA GLY 4 -1.608 -9.562 -19.237 16 HA3 GLY 4 2HA GLY 4 -2.684 -8.177 -19.130 17 H SER 5 H SER 5 -2.408 -10.959 -16.952 18 HA SER 5 HA SER 5 -2.034 -9.095 -14.730 19 HB2 SER 5 1HB SER 5 -3.814 -10.912 -14.692 20 HB3 SER 5 2HB SER 5 -2.497 -12.075 -14.543 21 HG SER 5 HG SER 5 -1.872 -10.551 -12.699 22 H SER 6 H SER 6 -0.189 -8.920 -13.613 23 HA SER 6 HA SER 6 1.935 -10.896 -14.125 24 HB2 SER 6 1HB SER 6 2.301 -8.710 -15.318 25 HB3 SER 6 2HB SER 6 2.385 -7.930 -13.738 26 HG SER 6 HG SER 6 4.429 -8.427 -13.922 27 H GLY 7 H GLY 7 3.728 -10.708 -12.431 28 HA2 GLY 7 1HA GLY 7 4.409 -10.426 -10.206 29 HA3 GLY 7 2HA GLY 7 2.812 -9.804 -9.819 30 H LYS 8 H LYS 8 3.014 -11.195 -7.922 31 HA LYS 8 HA LYS 8 2.228 -13.964 -8.551 32 HB2 LYS 8 1HB LYS 8 3.368 -14.701 -6.509 33 HB3 LYS 8 2HB LYS 8 4.492 -13.944 -7.630 34 HG2 LYS 8 1HG LYS 8 4.795 -12.098 -6.295 35 HG3 LYS 8 2HG LYS 8 3.244 -12.302 -5.477 36 HD2 LYS 8 1HD LYS 8 4.386 -14.550 -4.665 37 HD3 LYS 8 2HD LYS 8 5.859 -13.624 -4.964 38 HE2 LYS 8 1HE LYS 8 4.857 -11.797 -3.546 39 HE3 LYS 8 2HE LYS 8 3.590 -12.941 -3.105 40 HZ1 LYS 8 1HZ LYS 8 5.518 -12.775 -1.529 41 HZ2 LYS 8 2HZ LYS 8 6.469 -13.517 -2.714 42 HZ3 LYS 8 3HZ LYS 8 5.146 -14.339 -2.055 43 H ALA 9 H ALA 9 1.764 -11.117 -6.608 44 HA ALA 9 HA ALA 9 -0.283 -12.377 -4.970 45 HB1 ALA 9 1HB ALA 9 -0.218 -9.549 -4.625 46 HB2 ALA 9 2HB ALA 9 0.282 -10.814 -3.502 47 HB3 ALA 9 3HB ALA 9 1.437 -10.158 -4.661 48 H LYS 10 H LYS 10 -2.266 -12.608 -5.746 49 HA LYS 10 HA LYS 10 -3.312 -10.551 -7.580 50 HB2 LYS 10 1HB LYS 10 -3.416 -12.406 -8.913 51 HB3 LYS 10 2HB LYS 10 -3.535 -13.511 -7.550 52 HG2 LYS 10 1HG LYS 10 -5.803 -13.370 -7.449 53 HG3 LYS 10 2HG LYS 10 -5.840 -11.722 -8.081 54 HD2 LYS 10 1HD LYS 10 -6.648 -12.838 -9.901 55 HD3 LYS 10 2HD LYS 10 -4.920 -12.927 -10.254 56 HE2 LYS 10 1HE LYS 10 -6.484 -15.068 -8.817 57 HE3 LYS 10 2HE LYS 10 -6.127 -15.085 -10.543 58 HZ1 LYS 10 1HZ LYS 10 -4.521 -16.415 -9.413 59 HZ2 LYS 10 2HZ LYS 10 -4.164 -15.175 -8.319 60 HZ3 LYS 10 3HZ LYS 10 -3.742 -15.012 -9.949 61 HA PRO 11 HA PRO 11 -6.314 -9.582 -4.500 62 HB2 PRO 11 1HB PRO 11 -8.125 -8.333 -6.091 63 HB3 PRO 11 2HB PRO 11 -6.590 -7.594 -5.619 64 HG2 PRO 11 1HG PRO 11 -7.320 -8.981 -8.170 65 HG3 PRO 11 2HG PRO 11 -6.398 -7.484 -7.934 66 HD2 PRO 11 1HD PRO 11 -5.209 -9.864 -8.437 67 HD3 PRO 11 2HD PRO 11 -4.454 -8.614 -7.428 68 H VAL 12 H VAL 12 -8.460 -10.100 -3.844 69 HA VAL 12 HA VAL 12 -9.587 -12.410 -5.282 70 HB VAL 12 HB VAL 12 -10.656 -13.009 -3.119 71 HG11 VAL 12 1HG1 VAL 12 -8.453 -13.927 -3.889 72 HG12 VAL 12 2HG1 VAL 12 -7.668 -12.736 -2.850 73 HG13 VAL 12 3HG1 VAL 12 -8.708 -13.974 -2.145 74 HG21 VAL 12 1HG2 VAL 12 -9.667 -10.409 -2.389 75 HG22 VAL 12 2HG2 VAL 12 -10.792 -11.459 -1.529 76 HG23 VAL 12 3HG2 VAL 12 -9.055 -11.637 -1.281 77 H ALA 13 H ALA 13 -10.256 -9.251 -4.001 78 HA ALA 13 HA ALA 13 -12.786 -9.200 -5.414 79 HB1 ALA 13 1HB ALA 13 -13.421 -10.085 -3.219 80 HB2 ALA 13 2HB ALA 13 -12.697 -8.676 -2.445 81 HB3 ALA 13 3HB ALA 13 -14.099 -8.481 -3.496 82 H THR 14 H THR 14 -13.544 -7.101 -5.838 83 HA THR 14 HA THR 14 -11.875 -4.870 -4.933 84 HB THR 14 HB THR 14 -12.595 -5.187 -7.846 85 HG1 THR 14 1HG THR 14 -10.225 -5.637 -7.973 86 HG21 THR 14 1HG2 THR 14 -11.737 -3.142 -8.097 87 HG22 THR 14 2HG2 THR 14 -10.277 -3.587 -7.213 88 HG23 THR 14 3HG2 THR 14 -11.696 -3.011 -6.340 89 H ALA 15 H ALA 15 -13.119 -3.274 -4.223 90 HA ALA 15 HA ALA 15 -15.744 -2.848 -5.479 91 HB1 ALA 15 1HB ALA 15 -15.127 -3.263 -2.594 92 HB2 ALA 15 2HB ALA 15 -16.434 -2.166 -3.041 93 HB3 ALA 15 3HB ALA 15 -16.484 -3.853 -3.555 94 HA PRO 16 HA PRO 16 -14.074 1.262 -5.793 95 HB2 PRO 16 1HB PRO 16 -16.282 2.389 -6.900 96 HB3 PRO 16 2HB PRO 16 -15.159 1.376 -7.815 97 HG2 PRO 16 1HG PRO 16 -17.794 0.655 -6.591 98 HG3 PRO 16 2HG PRO 16 -17.141 0.216 -8.181 99 HD2 PRO 16 1HD PRO 16 -17.106 -1.482 -6.072 100 HD3 PRO 16 2HD PRO 16 -15.841 -1.481 -7.318 101 H ILE 17 H ILE 17 -13.947 2.736 -4.229 102 HA ILE 17 HA ILE 17 -15.863 2.840 -2.108 103 HB ILE 17 HB ILE 17 -13.528 4.669 -2.677 104 HG12 ILE 17 1HG1 ILE 17 -13.817 2.084 -1.186 105 HG13 ILE 17 2HG1 ILE 17 -12.559 2.582 -2.311 106 HG21 ILE 17 1HG2 ILE 17 -14.939 4.267 -0.052 107 HG22 ILE 17 2HG2 ILE 17 -13.744 5.493 -0.473 108 HG23 ILE 17 3HG2 ILE 17 -15.358 5.558 -1.178 109 HD11 ILE 17 1HD1 ILE 17 -11.640 4.086 -0.651 110 HD12 ILE 17 2HD1 ILE 17 -12.930 3.657 0.473 111 HD13 ILE 17 3HD1 ILE 17 -11.746 2.445 -0.014 112 HA PRO 18 HA PRO 18 -18.584 5.871 -3.812 113 HB2 PRO 18 1HB PRO 18 -19.819 6.600 -1.507 114 HB3 PRO 18 2HB PRO 18 -20.145 5.069 -2.330 115 HG2 PRO 18 1HG PRO 18 -18.380 5.616 0.026 116 HG3 PRO 18 2HG PRO 18 -19.515 4.278 -0.235 117 HD2 PRO 18 1HD PRO 18 -16.844 4.016 -0.598 118 HD3 PRO 18 2HD PRO 18 -18.032 3.114 -1.562 119 H GLY 19 H GLY 19 -18.033 7.861 -4.429 120 HA2 GLY 19 1HA GLY 19 -17.740 10.177 -4.015 121 HA3 GLY 19 2HA GLY 19 -17.156 9.788 -2.403 122 H THR 20 H THR 20 -15.135 8.101 -2.742 123 HA THR 20 HA THR 20 -13.172 9.740 -4.153 124 HB THR 20 HB THR 20 -11.561 8.936 -2.738 125 HG1 THR 20 1HG THR 20 -12.924 6.615 -1.949 126 HG21 THR 20 1HG2 THR 20 -13.236 9.987 -1.327 127 HG22 THR 20 2HG2 THR 20 -12.491 8.639 -0.469 128 HG23 THR 20 3HG2 THR 20 -14.098 8.457 -1.171 129 HA PRO 21 HA PRO 21 -12.659 6.937 -7.502 130 HB2 PRO 21 1HB PRO 21 -10.065 7.429 -8.135 131 HB3 PRO 21 2HB PRO 21 -11.372 8.566 -8.486 132 HG2 PRO 21 1HG PRO 21 -9.414 8.572 -6.222 133 HG3 PRO 21 2HG PRO 21 -9.981 9.928 -7.214 134 HD2 PRO 21 1HD PRO 21 -10.951 9.431 -4.735 135 HD3 PRO 21 2HD PRO 21 -11.944 10.142 -6.024 136 H TRP 22 H TRP 22 -11.168 6.530 -4.531 137 HA TRP 22 HA TRP 22 -9.364 4.413 -5.152 138 HB2 TRP 22 1HB TRP 22 -10.637 5.335 -2.575 139 HB3 TRP 22 2HB TRP 22 -9.521 3.974 -2.649 140 HD1 TRP 22 HD TRP 22 -9.626 7.771 -2.800 141 HE1 TRP 22 1HE TRP 22 -7.219 8.679 -2.710 142 HE3 TRP 22 3HE TRP 22 -7.077 3.368 -3.301 143 HZ2 TRP 22 2HZ TRP 22 -4.589 7.664 -2.836 144 HZ3 TRP 22 3HZ TRP 22 -4.617 3.423 -3.307 145 HH2 TRP 22 HH TRP 22 -3.401 5.528 -3.080 146 H CYS 23 H CYS 23 -9.603 2.176 -4.633 147 HA CYS 23 HA CYS 23 -12.358 1.219 -4.339 148 HB2 CYS 23 1HB CYS 23 -10.444 0.094 -6.390 149 HB3 CYS 23 2HB CYS 23 -12.124 -0.366 -6.141 150 HG CYS 23 HG CYS 23 -12.753 2.534 -6.738 151 H VAL 24 H VAL 24 -12.384 -0.014 -2.589 152 HA VAL 24 HA VAL 24 -10.090 -1.092 -1.360 153 HB VAL 24 HB VAL 24 -12.953 -1.964 -0.950 154 HG11 VAL 24 1HG1 VAL 24 -11.356 -2.001 1.410 155 HG12 VAL 24 2HG1 VAL 24 -12.164 -3.344 0.599 156 HG13 VAL 24 3HG1 VAL 24 -10.519 -2.898 0.143 157 HG21 VAL 24 1HG2 VAL 24 -11.387 0.335 0.188 158 HG22 VAL 24 2HG2 VAL 24 -12.956 0.368 -0.616 159 HG23 VAL 24 3HG2 VAL 24 -12.806 -0.331 0.996 160 H VAL 25 H VAL 25 -8.881 -2.664 -2.186 161 HA VAL 25 HA VAL 25 -10.230 -4.928 -3.509 162 HB VAL 25 HB VAL 25 -7.377 -4.035 -3.936 163 HG11 VAL 25 1HG1 VAL 25 -8.173 -6.479 -4.325 164 HG12 VAL 25 2HG1 VAL 25 -8.946 -5.807 -5.762 165 HG13 VAL 25 3HG1 VAL 25 -7.199 -5.674 -5.554 166 HG21 VAL 25 1HG2 VAL 25 -9.917 -3.263 -5.272 167 HG22 VAL 25 2HG2 VAL 25 -8.464 -2.310 -4.967 168 HG23 VAL 25 3HG2 VAL 25 -8.485 -3.491 -6.277 169 H TRP 26 H TRP 26 -10.046 -6.866 -2.594 170 HA TRP 26 HA TRP 26 -8.268 -7.160 -0.294 171 HB2 TRP 26 1HB TRP 26 -10.585 -8.817 -1.302 172 HB3 TRP 26 2HB TRP 26 -9.577 -9.292 0.062 173 HD1 TRP 26 HD TRP 26 -10.103 -8.218 2.377 174 HE1 TRP 26 1HE TRP 26 -11.882 -6.561 3.222 175 HE3 TRP 26 3HE TRP 26 -11.974 -6.672 -2.122 176 HZ2 TRP 26 2HZ TRP 26 -13.821 -4.828 2.126 177 HZ3 TRP 26 3HZ TRP 26 -13.790 -5.013 -2.137 178 HH2 TRP 26 HH TRP 26 -14.694 -4.111 -0.055 179 H THR 27 H THR 27 -7.186 -9.306 -0.011 180 HA THR 27 HA THR 27 -6.244 -10.382 -2.586 181 HB THR 27 HB THR 27 -4.002 -10.712 -1.477 182 HG1 THR 27 1HG THR 27 -4.708 -8.673 0.324 183 HG21 THR 27 1HG2 THR 27 -4.797 -7.811 -1.652 184 HG22 THR 27 2HG2 THR 27 -4.591 -8.837 -3.071 185 HG23 THR 27 3HG2 THR 27 -3.226 -8.530 -1.999 186 H GLY 28 H GLY 28 -4.855 -12.476 -2.054 187 HA2 GLY 28 1HA GLY 28 -6.714 -14.319 -0.872 188 HA3 GLY 28 2HA GLY 28 -5.158 -14.718 -1.585 189 H ASP 29 H ASP 29 -3.958 -12.594 0.259 190 HA ASP 29 HA ASP 29 -3.470 -14.427 2.460 191 HB2 ASP 29 1HB ASP 29 -1.740 -12.936 1.127 192 HB3 ASP 29 2HB ASP 29 -2.212 -11.721 2.311 193 H GLU 30 H GLU 30 -6.065 -13.447 2.479 194 HA GLU 30 HA GLU 30 -7.598 -12.233 3.684 195 HB2 GLU 30 1HB GLU 30 -5.613 -13.206 5.729 196 HB3 GLU 30 2HB GLU 30 -7.084 -12.363 6.194 197 HG2 GLU 30 1HG GLU 30 -8.281 -14.146 4.762 198 HG3 GLU 30 2HG GLU 30 -6.772 -15.044 4.915 199 H ARG 31 H ARG 31 -5.866 -10.497 2.410 200 HA ARG 31 HA ARG 31 -5.639 -8.338 4.398 201 HB2 ARG 31 1HB ARG 31 -3.647 -9.308 2.414 202 HB3 ARG 31 2HB ARG 31 -3.758 -7.571 2.662 203 HG2 ARG 31 1HG ARG 31 -3.530 -9.367 5.028 204 HG3 ARG 31 2HG ARG 31 -2.096 -9.009 4.063 205 HD2 ARG 31 1HD ARG 31 -2.180 -6.737 4.557 206 HD3 ARG 31 2HD ARG 31 -3.879 -6.804 5.024 207 HE ARG 31 HE ARG 31 -2.110 -8.328 6.717 208 HH11 ARG 31 2HH1 ARG 31 -3.614 -5.242 6.139 209 HH12 ARG 31 1HH1 ARG 31 -3.473 -4.719 7.785 210 HH21 ARG 31 2HH2 ARG 31 -1.918 -7.650 8.886 211 HH22 ARG 31 1HH2 ARG 31 -2.507 -6.089 9.346 212 H VAL 32 H VAL 32 -5.656 -6.147 3.385 213 HA VAL 32 HA VAL 32 -7.060 -6.024 0.821 214 HB VAL 32 HB VAL 32 -8.860 -6.070 2.447 215 HG11 VAL 32 1HG1 VAL 32 -7.054 -4.392 3.953 216 HG12 VAL 32 2HG1 VAL 32 -8.663 -3.674 3.847 217 HG13 VAL 32 3HG1 VAL 32 -8.463 -5.302 4.498 218 HG21 VAL 32 1HG2 VAL 32 -8.485 -4.146 0.508 219 HG22 VAL 32 2HG2 VAL 32 -10.008 -4.524 1.314 220 HG23 VAL 32 3HG2 VAL 32 -8.993 -3.213 1.916 221 H PHE 33 H PHE 33 -6.551 -4.270 -0.382 222 HA PHE 33 HA PHE 33 -4.999 -2.126 0.904 223 HB2 PHE 33 1HB PHE 33 -3.494 -2.048 -1.004 224 HB3 PHE 33 2HB PHE 33 -3.489 -3.667 -0.312 225 HD1 PHE 33 1HD PHE 33 -4.792 -5.479 -1.451 226 HD2 PHE 33 2HD PHE 33 -4.097 -1.680 -3.241 227 HE1 PHE 33 1HE PHE 33 -5.330 -6.424 -3.658 228 HE2 PHE 33 2HE PHE 33 -4.635 -2.619 -5.451 229 HZ PHE 33 HZ PHE 33 -5.253 -4.994 -5.661 230 H PHE 34 H PHE 34 -4.810 -0.179 -0.603 231 HA PHE 34 HA PHE 34 -7.467 0.323 -1.749 232 HB2 PHE 34 1HB PHE 34 -5.370 2.340 -0.927 233 HB3 PHE 34 2HB PHE 34 -7.034 2.681 -1.389 234 HD1 PHE 34 2HD PHE 34 -4.880 1.228 1.214 235 HD2 PHE 34 1HD PHE 34 -8.822 2.435 0.157 236 HE1 PHE 34 2HE PHE 34 -5.568 1.028 3.567 237 HE2 PHE 34 1HE PHE 34 -9.517 2.238 2.509 238 HZ PHE 34 HZ PHE 34 -7.890 1.532 4.217 239 H TYR 35 H TYR 35 -7.695 0.518 -3.873 240 HA TYR 35 HA TYR 35 -5.289 1.044 -5.493 241 HB2 TYR 35 1HB TYR 35 -5.964 -1.166 -5.990 242 HB3 TYR 35 2HB TYR 35 -7.669 -0.728 -6.016 243 HD1 TYR 35 1HD TYR 35 -4.521 0.277 -7.777 244 HD2 TYR 35 2HD TYR 35 -8.661 -0.657 -8.090 245 HE1 TYR 35 1HE TYR 35 -4.399 0.579 -10.215 246 HE2 TYR 35 2HE TYR 35 -8.550 -0.358 -10.529 247 HH TYR 35 HH TYR 35 -5.771 0.990 -12.090 248 H ASN 36 H ASN 36 -5.497 2.372 -7.324 249 HA ASN 36 HA ASN 36 -7.981 3.944 -7.474 250 HB2 ASN 36 1HB ASN 36 -6.137 5.167 -6.277 251 HB3 ASN 36 2HB ASN 36 -5.203 5.101 -7.770 252 HD21 ASN 36 1HD2 ASN 36 -6.764 7.186 -6.028 253 HD22 ASN 36 2HD2 ASN 36 -7.526 8.165 -7.231 254 HA PRO 37 HA PRO 37 -7.287 2.359 -11.671 255 HB2 PRO 37 1HB PRO 37 -9.883 2.624 -12.421 256 HB3 PRO 37 2HB PRO 37 -9.287 1.241 -11.496 257 HG2 PRO 37 1HG PRO 37 -10.720 3.687 -10.534 258 HG3 PRO 37 2HG PRO 37 -10.960 1.993 -10.067 259 HD2 PRO 37 1HD PRO 37 -9.554 3.738 -8.547 260 HD3 PRO 37 2HD PRO 37 -9.167 2.007 -8.619 261 H THR 38 H THR 38 -7.984 5.373 -10.420 262 HA THR 38 HA THR 38 -8.400 6.648 -13.017 263 HB THR 38 HB THR 38 -8.279 7.982 -10.309 264 HG1 THR 38 1HG THR 38 -10.593 7.165 -11.759 265 HG21 THR 38 1HG2 THR 38 -9.131 9.882 -11.333 266 HG22 THR 38 2HG2 THR 38 -9.749 8.982 -12.718 267 HG23 THR 38 3HG2 THR 38 -8.017 9.270 -12.554 268 H THR 39 H THR 39 -6.037 6.415 -10.426 269 HA THR 39 HA THR 39 -4.134 7.911 -12.111 270 HB THR 39 HB THR 39 -2.990 8.676 -10.119 271 HG1 THR 39 1HG THR 39 -5.008 7.646 -8.449 272 HG21 THR 39 1HG2 THR 39 -5.734 9.320 -9.273 273 HG22 THR 39 2HG2 THR 39 -5.390 9.615 -10.978 274 HG23 THR 39 3HG2 THR 39 -4.409 10.388 -9.733 275 H ARG 40 H ARG 40 -4.846 4.943 -11.688 276 HA ARG 40 HA ARG 40 -3.784 2.932 -11.436 277 HB2 ARG 40 1HB ARG 40 -1.577 4.572 -12.694 278 HB3 ARG 40 2HB ARG 40 -1.596 2.816 -12.606 279 HG2 ARG 40 1HG ARG 40 -3.817 2.957 -13.862 280 HG3 ARG 40 2HG ARG 40 -3.368 4.629 -14.202 281 HD2 ARG 40 1HD ARG 40 -1.367 2.496 -14.738 282 HD3 ARG 40 2HD ARG 40 -2.734 2.649 -15.840 283 HE ARG 40 HE ARG 40 -1.467 5.157 -15.356 284 HH11 ARG 40 2HH1 ARG 40 -1.222 2.199 -17.176 285 HH12 ARG 40 1HH1 ARG 40 -0.313 2.914 -18.465 286 HH21 ARG 40 2HH2 ARG 40 -0.270 6.110 -17.048 287 HH22 ARG 40 1HH2 ARG 40 0.229 5.139 -18.391 288 H LEU 41 H LEU 41 -3.682 4.586 -9.101 289 HA LEU 41 HA LEU 41 -1.025 3.991 -8.000 290 HB2 LEU 41 1HB LEU 41 -2.238 6.307 -7.879 291 HB3 LEU 41 2HB LEU 41 -3.104 5.558 -6.539 292 HG LEU 41 HG LEU 41 -1.203 6.939 -5.802 293 HD11 LEU 41 1HD1 LEU 41 -0.592 4.053 -5.245 294 HD12 LEU 41 2HD1 LEU 41 -2.028 4.849 -4.601 295 HD13 LEU 41 3HD1 LEU 41 -0.423 5.445 -4.174 296 HD21 LEU 41 1HD2 LEU 41 0.912 5.123 -6.467 297 HD22 LEU 41 2HD2 LEU 41 0.781 6.853 -6.790 298 HD23 LEU 41 3HD2 LEU 41 0.121 5.688 -7.939 299 H SER 42 H SER 42 -0.744 2.464 -6.494 300 HA SER 42 HA SER 42 -3.079 1.424 -5.059 301 HB2 SER 42 1HB SER 42 -2.389 -0.890 -5.481 302 HB3 SER 42 2HB SER 42 -2.707 -0.054 -7.001 303 HG SER 42 HG SER 42 -0.564 -1.351 -6.432 304 H MET 43 H MET 43 -2.572 1.931 -3.021 305 HA MET 43 HA MET 43 0.176 1.494 -2.090 306 HB2 MET 43 1HB MET 43 -2.011 2.914 -0.581 307 HB3 MET 43 2HB MET 43 -0.275 3.004 -0.315 308 HG2 MET 43 1HG MET 43 -0.294 3.940 -2.777 309 HG3 MET 43 2HG MET 43 -1.958 4.343 -2.360 310 HE1 MET 43 1HE MET 43 -2.098 4.859 0.396 311 HE2 MET 43 2HE MET 43 -0.500 4.777 1.137 312 HE3 MET 43 3HE MET 43 -1.322 6.330 0.984 313 H TRP 44 H TRP 44 0.338 0.740 0.240 314 HA TRP 44 HA TRP 44 -1.382 -1.611 0.544 315 HB2 TRP 44 1HB TRP 44 1.387 -0.911 1.400 316 HB3 TRP 44 2HB TRP 44 0.479 -2.046 2.396 317 HD1 TRP 44 HD TRP 44 2.582 -1.890 -0.658 318 HE1 TRP 44 1HE TRP 44 2.564 -4.160 -1.871 319 HE3 TRP 44 3HE TRP 44 -1.286 -4.114 1.837 320 HZ2 TRP 44 2HZ TRP 44 1.103 -6.573 -1.783 321 HZ3 TRP 44 3HZ TRP 44 -1.932 -6.404 1.211 322 HH2 TRP 44 HH TRP 44 -0.761 -7.606 -0.562 323 H ASP 45 H ASP 45 -0.902 1.485 1.839 324 HA ASP 45 HA ASP 45 -2.446 0.759 4.244 325 HB2 ASP 45 1HB ASP 45 -0.164 2.652 3.868 326 HB3 ASP 45 2HB ASP 45 -1.390 3.035 5.073 327 H ARG 46 H ARG 46 -3.514 2.898 5.151 328 HA ARG 46 HA ARG 46 -5.322 3.769 3.081 329 HB2 ARG 46 1HB ARG 46 -5.852 3.194 5.567 330 HB3 ARG 46 2HB ARG 46 -5.329 4.843 5.881 331 HG2 ARG 46 1HG ARG 46 -7.337 4.414 3.741 332 HG3 ARG 46 2HG ARG 46 -7.856 4.236 5.418 333 HD2 ARG 46 1HD ARG 46 -6.535 6.524 5.667 334 HD3 ARG 46 2HD ARG 46 -6.933 6.648 3.954 335 HE ARG 46 HE ARG 46 -9.116 7.025 4.525 336 HH11 ARG 46 2HH1 ARG 46 -7.428 5.716 7.275 337 HH12 ARG 46 1HH1 ARG 46 -8.748 5.966 8.369 338 HH21 ARG 46 2HH2 ARG 46 -10.861 7.359 5.956 339 HH22 ARG 46 1HH2 ARG 46 -10.701 6.900 7.617 340 HA PRO 47 HA PRO 47 -2.741 7.343 2.239 341 HB2 PRO 47 1HB PRO 47 -4.194 8.184 0.105 342 HB3 PRO 47 2HB PRO 47 -3.027 6.859 0.011 343 HG2 PRO 47 1HG PRO 47 -6.006 6.743 0.284 344 HG3 PRO 47 2HG PRO 47 -4.937 5.770 -0.744 345 HD2 PRO 47 1HD PRO 47 -5.934 4.854 1.601 346 HD3 PRO 47 2HD PRO 47 -4.340 4.369 0.986 347 H ASP 48 H ASP 48 -3.059 9.644 2.233 348 HA ASP 48 HA ASP 48 -4.855 10.569 4.168 349 HB2 ASP 48 1HB ASP 48 -4.258 12.869 3.012 350 HB3 ASP 48 2HB ASP 48 -3.050 11.980 3.936 351 H ASP 49 H ASP 49 -4.970 10.854 0.627 352 HA ASP 49 HA ASP 49 -7.124 12.395 0.169 353 HB2 ASP 49 1HB ASP 49 -6.367 9.786 -1.137 354 HB3 ASP 49 2HB ASP 49 -7.712 10.762 -1.721 355 H LEU 50 H LEU 50 -7.159 9.303 1.735 356 HA LEU 50 HA LEU 50 -10.093 9.259 1.717 357 HB2 LEU 50 1HB LEU 50 -8.029 7.173 2.369 358 HB3 LEU 50 2HB LEU 50 -9.740 6.961 2.734 359 HG LEU 50 HG LEU 50 -8.534 7.300 -0.011 360 HD11 LEU 50 1HD1 LEU 50 -8.689 5.042 1.616 361 HD12 LEU 50 2HD1 LEU 50 -8.368 5.090 -0.117 362 HD13 LEU 50 3HD1 LEU 50 -10.018 4.880 0.468 363 HD21 LEU 50 1HD2 LEU 50 -10.569 8.031 -0.566 364 HD22 LEU 50 2HD2 LEU 50 -11.256 7.569 0.992 365 HD23 LEU 50 3HD2 LEU 50 -11.106 6.372 -0.296 366 H ILE 51 H ILE 51 -7.300 9.400 3.843 367 HA ILE 51 HA ILE 51 -8.304 8.972 6.321 368 HB ILE 51 HB ILE 51 -6.439 11.174 5.449 369 HG12 ILE 51 1HG1 ILE 51 -5.965 8.509 6.802 370 HG13 ILE 51 2HG1 ILE 51 -5.643 8.874 5.111 371 HG21 ILE 51 1HG2 ILE 51 -6.040 10.564 8.173 372 HG22 ILE 51 2HG2 ILE 51 -6.580 12.085 7.466 373 HG23 ILE 51 3HG2 ILE 51 -7.763 10.874 7.959 374 HD11 ILE 51 1HD1 ILE 51 -4.164 10.781 6.207 375 HD12 ILE 51 2HD1 ILE 51 -4.133 9.622 7.537 376 HD13 ILE 51 3HD1 ILE 51 -3.558 9.146 5.940 377 H GLY 52 H GLY 52 -10.097 9.629 7.295 378 HA2 GLY 52 1HA GLY 52 -11.157 11.571 8.383 379 HA3 GLY 52 2HA GLY 52 -10.980 12.414 6.852 380 H ARG 53 H ARG 53 -11.732 9.797 5.482 381 HA ARG 53 HA ARG 53 -14.593 10.308 5.519 382 HB2 ARG 53 1HB ARG 53 -12.964 8.458 3.767 383 HB3 ARG 53 2HB ARG 53 -14.663 8.854 3.544 384 HG2 ARG 53 1HG ARG 53 -13.697 11.321 3.502 385 HG3 ARG 53 2HG ARG 53 -12.245 10.467 2.975 386 HD2 ARG 53 1HD ARG 53 -13.194 9.780 1.013 387 HD3 ARG 53 2HD ARG 53 -14.824 9.758 1.684 388 HE ARG 53 HE ARG 53 -13.641 12.382 1.388 389 HH11 ARG 53 2HH1 ARG 53 -15.631 9.901 -0.030 390 HH12 ARG 53 1HH1 ARG 53 -16.434 10.985 -1.117 391 HH21 ARG 53 2HH2 ARG 53 -14.692 13.818 -0.039 392 HH22 ARG 53 1HH2 ARG 53 -15.899 13.212 -1.122 393 H ALA 54 H ALA 54 -16.161 8.844 6.085 394 HA ALA 54 HA ALA 54 -15.297 6.692 7.837 395 HB1 ALA 54 1HB ALA 54 -17.933 6.535 8.039 396 HB2 ALA 54 2HB ALA 54 -17.004 7.766 8.896 397 HB3 ALA 54 3HB ALA 54 -17.831 8.173 7.392 398 H ASP 55 H ASP 55 -17.015 7.132 4.795 399 HA ASP 55 HA ASP 55 -18.066 4.626 4.375 400 HB2 ASP 55 1HB ASP 55 -16.685 5.945 2.082 401 HB3 ASP 55 2HB ASP 55 -18.287 5.217 2.159 402 H VAL 56 H VAL 56 -14.806 5.719 3.431 403 HA VAL 56 HA VAL 56 -13.776 3.473 2.306 404 HB VAL 56 HB VAL 56 -12.404 5.416 2.448 405 HG11 VAL 56 1HG1 VAL 56 -11.797 5.170 5.327 406 HG12 VAL 56 2HG1 VAL 56 -11.937 6.607 4.314 407 HG13 VAL 56 3HG1 VAL 56 -13.389 5.805 4.913 408 HG21 VAL 56 1HG2 VAL 56 -11.262 3.105 4.002 409 HG22 VAL 56 2HG2 VAL 56 -11.105 3.434 2.276 410 HG23 VAL 56 3HG2 VAL 56 -10.295 4.472 3.449 411 H ASP 57 H ASP 57 -14.063 4.110 5.781 412 HA ASP 57 HA ASP 57 -12.818 1.700 6.611 413 HB2 ASP 57 1HB ASP 57 -14.519 3.772 7.945 414 HB3 ASP 57 2HB ASP 57 -14.197 2.254 8.778 415 H LYS 58 H LYS 58 -16.254 2.657 6.569 416 HA LYS 58 HA LYS 58 -17.503 0.432 7.422 417 HB2 LYS 58 1HB LYS 58 -18.397 2.637 6.248 418 HB3 LYS 58 2HB LYS 58 -18.525 1.568 4.858 419 HG2 LYS 58 1HG LYS 58 -20.052 0.146 5.977 420 HG3 LYS 58 2HG LYS 58 -19.748 0.932 7.529 421 HD2 LYS 58 1HD LYS 58 -21.702 1.967 6.967 422 HD3 LYS 58 2HD LYS 58 -20.564 3.067 6.184 423 HE2 LYS 58 1HE LYS 58 -22.088 2.693 4.496 424 HE3 LYS 58 2HE LYS 58 -20.861 1.478 4.142 425 HZ1 LYS 58 1HZ LYS 58 -23.510 0.998 4.429 426 HZ2 LYS 58 2HZ LYS 58 -22.900 0.549 5.940 427 HZ3 LYS 58 3HZ LYS 58 -22.290 -0.169 4.535 428 H ILE 59 H ILE 59 -16.504 0.896 4.029 429 HA ILE 59 HA ILE 59 -17.241 -1.558 3.017 430 HB ILE 59 HB ILE 59 -14.829 0.108 2.295 431 HG12 ILE 59 1HG1 ILE 59 -17.500 -0.150 0.903 432 HG13 ILE 59 2HG1 ILE 59 -17.113 1.135 2.043 433 HG21 ILE 59 1HG2 ILE 59 -16.019 -2.313 0.974 434 HG22 ILE 59 2HG2 ILE 59 -15.025 -1.151 0.097 435 HG23 ILE 59 3HG2 ILE 59 -14.347 -2.038 1.462 436 HD11 ILE 59 1HD1 ILE 59 -16.002 0.644 -0.688 437 HD12 ILE 59 2HD1 ILE 59 -16.748 2.101 -0.030 438 HD13 ILE 59 3HD1 ILE 59 -15.131 1.626 0.490 439 H ILE 60 H ILE 60 -13.936 -0.738 4.093 440 HA ILE 60 HA ILE 60 -12.817 -3.242 3.973 441 HB ILE 60 HB ILE 60 -12.275 -1.110 6.043 442 HG12 ILE 60 1HG1 ILE 60 -10.521 -1.661 3.689 443 HG13 ILE 60 2HG1 ILE 60 -12.008 -0.755 3.431 444 HG21 ILE 60 1HG2 ILE 60 -10.376 -3.272 5.189 445 HG22 ILE 60 2HG2 ILE 60 -10.269 -2.197 6.582 446 HG23 ILE 60 3HG2 ILE 60 -11.479 -3.479 6.550 447 HD11 ILE 60 1HD1 ILE 60 -10.359 0.860 3.765 448 HD12 ILE 60 2HD1 ILE 60 -11.204 0.762 5.310 449 HD13 ILE 60 3HD1 ILE 60 -9.639 -0.024 5.109 450 H GLN 61 H GLN 61 -14.454 -1.789 6.784 451 HA GLN 61 HA GLN 61 -14.194 -3.731 8.658 452 HB2 GLN 61 1HB GLN 61 -16.698 -2.173 7.998 453 HB3 GLN 61 2HB GLN 61 -16.460 -3.085 9.483 454 HG2 GLN 61 1HG GLN 61 -14.283 -1.582 9.614 455 HG3 GLN 61 2HG GLN 61 -15.271 -0.513 8.619 456 HE21 GLN 61 1HE2 GLN 61 -15.390 -2.425 11.597 457 HE22 GLN 61 2HE2 GLN 61 -16.377 -1.314 12.477 458 H GLU 62 H GLU 62 -17.112 -3.623 6.611 459 HA GLU 62 HA GLU 62 -17.252 -6.552 6.820 460 HB2 GLU 62 1HB GLU 62 -19.167 -4.837 7.517 461 HB3 GLU 62 2HB GLU 62 -19.552 -4.956 5.806 462 HG2 GLU 62 1HG GLU 62 -19.149 -7.472 7.328 463 HG3 GLU 62 2HG GLU 62 -20.634 -6.560 7.594 464 HA PRO 63 HA PRO 63 -15.974 -5.941 2.459 465 HB2 PRO 63 1HB PRO 63 -14.626 -8.293 2.311 466 HB3 PRO 63 2HB PRO 63 -13.909 -6.814 2.961 467 HG2 PRO 63 1HG PRO 63 -15.102 -9.141 4.419 468 HG3 PRO 63 2HG PRO 63 -13.617 -8.239 4.776 469 HD2 PRO 63 1HD PRO 63 -15.937 -7.812 6.106 470 HD3 PRO 63 2HD PRO 63 -14.760 -6.519 5.801 471 HA PRO 64 HA PRO 64 -19.213 -8.372 0.712 472 HB2 PRO 64 1HB PRO 64 -18.381 -8.418 -1.872 473 HB3 PRO 64 2HB PRO 64 -19.073 -6.981 -1.112 474 HG2 PRO 64 1HG PRO 64 -16.200 -7.675 -1.586 475 HG3 PRO 64 2HG PRO 64 -17.028 -6.124 -1.812 476 HD2 PRO 64 1HD PRO 64 -15.506 -6.659 0.362 477 HD3 PRO 64 2HD PRO 64 -16.930 -5.601 0.430 478 H HIS 65 H HIS 65 -15.970 -9.237 -0.508 479 HA HIS 65 HA HIS 65 -16.388 -11.757 -1.424 480 HB2 HIS 65 1HB HIS 65 -14.096 -12.181 -1.131 481 HB3 HIS 65 2HB HIS 65 -14.191 -10.426 -1.258 482 HD1 HIS 65 1HD HIS 65 -13.589 -9.054 0.824 483 HD2 HIS 65 2HD HIS 65 -13.388 -13.162 1.413 484 HE1 HIS 65 1HE HIS 65 -12.407 -9.361 3.023 485 H LYS 66 H LYS 66 -16.583 -10.699 1.857 486 HA LYS 66 HA LYS 66 -16.716 -13.468 2.821 487 HB2 LYS 66 1HB LYS 66 -16.083 -10.851 4.085 488 HB3 LYS 66 2HB LYS 66 -16.878 -12.058 5.087 489 HG2 LYS 66 1HG LYS 66 -14.398 -12.680 3.517 490 HG3 LYS 66 2HG LYS 66 -14.338 -11.980 5.137 491 HD2 LYS 66 1HD LYS 66 -16.015 -14.401 4.686 492 HD3 LYS 66 2HD LYS 66 -14.262 -14.590 4.769 493 HE2 LYS 66 1HE LYS 66 -14.478 -13.159 6.928 494 HE3 LYS 66 2HE LYS 66 -16.172 -13.645 6.870 495 HZ1 LYS 66 1HZ LYS 66 -14.859 -15.145 8.236 496 HZ2 LYS 66 2HZ LYS 66 -13.849 -15.496 6.925 497 HZ3 LYS 66 3HZ LYS 66 -15.476 -15.956 6.885 498 H LYS 67 H LYS 67 -18.855 -12.898 1.324 499 HA LYS 67 HA LYS 67 -21.003 -11.949 3.050 500 HB2 LYS 67 1HB LYS 67 -20.691 -12.476 0.140 501 HB3 LYS 67 2HB LYS 67 -22.303 -12.651 0.821 502 HG2 LYS 67 1HG LYS 67 -22.170 -10.357 1.686 503 HG3 LYS 67 2HG LYS 67 -20.575 -10.187 0.948 504 HD2 LYS 67 1HD LYS 67 -21.436 -10.225 -1.213 505 HD3 LYS 67 2HD LYS 67 -22.939 -10.998 -0.705 506 HE2 LYS 67 1HE LYS 67 -23.700 -8.871 -1.000 507 HE3 LYS 67 2HE LYS 67 -23.190 -8.757 0.683 508 HZ1 LYS 67 1HZ LYS 67 -21.884 -7.094 0.073 509 HZ2 LYS 67 2HZ LYS 67 -22.233 -7.331 -1.565 510 HZ3 LYS 67 3HZ LYS 67 -20.959 -8.177 -0.841 511 H SER 68 H SER 68 -21.951 -13.333 4.382 512 HA SER 68 HA SER 68 -21.846 -16.190 3.855 513 HB2 SER 68 1HB SER 68 -22.684 -16.455 6.121 514 HB3 SER 68 2HB SER 68 -21.359 -15.291 6.126 515 HG SER 68 HG SER 68 -22.691 -13.837 6.832 516 H GLY 69 H GLY 69 -23.382 -17.150 2.711 517 HA2 GLY 69 1HA GLY 69 -26.138 -16.106 2.928 518 HA3 GLY 69 2HA GLY 69 -25.459 -16.653 1.403 519 HA PRO 70 HA PRO 70 -27.789 -20.146 3.455 520 HB2 PRO 70 1HB PRO 70 -29.404 -20.670 1.337 521 HB3 PRO 70 2HB PRO 70 -29.813 -19.491 2.588 522 HG2 PRO 70 1HG PRO 70 -28.650 -19.039 -0.133 523 HG3 PRO 70 2HG PRO 70 -29.928 -18.136 0.702 524 HD2 PRO 70 1HD PRO 70 -27.370 -17.259 0.577 525 HD3 PRO 70 2HD PRO 70 -28.425 -16.929 1.965 526 H SER 71 H SER 71 -26.649 -19.784 0.111 527 HA SER 71 HA SER 71 -25.852 -22.613 0.116 528 HB2 SER 71 1HB SER 71 -26.573 -20.674 -2.043 529 HB3 SER 71 2HB SER 71 -25.467 -21.993 -2.426 530 HG SER 71 HG SER 71 -28.086 -22.096 -2.299 531 H SER 72 H SER 72 -23.790 -23.098 -1.064 532 HA SER 72 HA SER 72 -21.768 -21.018 -0.539 533 HB2 SER 72 1HB SER 72 -21.476 -24.001 -0.101 534 HB3 SER 72 2HB SER 72 -20.205 -22.800 0.133 535 HG SER 72 HG SER 72 -21.689 -21.814 1.690 536 H GLY 73 H GLY 73 -22.445 -24.007 -2.349 537 HA2 GLY 73 1HA GLY 73 -22.253 -23.768 -4.819 538 HA3 GLY 73 2HA GLY 73 -20.728 -22.949 -4.511 Start of MODEL 10 1 H1 GLY 1 H GLY 1 10.054 10.115 -5.879 2 HA2 GLY 1 1HA GLY 1 12.283 10.109 -7.820 3 HA3 GLY 1 2HA GLY 1 12.253 9.050 -6.417 4 H SER 2 H SER 2 12.483 7.272 -7.882 5 HA SER 2 HA SER 2 9.919 6.508 -9.109 6 HB2 SER 2 1HB SER 2 11.537 7.154 -10.869 7 HB3 SER 2 2HB SER 2 12.662 5.941 -10.261 8 HG SER 2 HG SER 2 10.505 5.639 -11.883 9 H SER 3 H SER 3 9.260 4.434 -8.787 10 HA SER 3 HA SER 3 11.098 2.587 -7.436 11 HB2 SER 3 1HB SER 3 8.465 3.593 -6.429 12 HB3 SER 3 2HB SER 3 8.940 1.934 -6.064 13 HG SER 3 HG SER 3 9.769 3.109 -4.427 14 H GLY 4 H GLY 4 10.616 0.373 -7.705 15 HA2 GLY 4 1HA GLY 4 9.660 -0.372 -10.216 16 HA3 GLY 4 2HA GLY 4 9.888 -1.470 -8.863 17 H SER 5 H SER 5 7.984 -2.476 -9.997 18 HA SER 5 HA SER 5 5.505 -1.353 -8.873 19 HB2 SER 5 1HB SER 5 5.731 -2.764 -11.542 20 HB3 SER 5 2HB SER 5 4.271 -2.066 -10.842 21 HG SER 5 HG SER 5 6.522 -0.436 -11.204 22 H SER 6 H SER 6 4.965 -2.672 -7.263 23 HA SER 6 HA SER 6 5.553 -5.515 -7.415 24 HB2 SER 6 1HB SER 6 4.331 -3.853 -5.199 25 HB3 SER 6 2HB SER 6 4.737 -5.564 -5.071 26 HG SER 6 HG SER 6 6.925 -4.595 -5.877 27 H GLY 7 H GLY 7 3.959 -7.152 -7.102 28 HA2 GLY 7 1HA GLY 7 1.233 -6.851 -6.864 29 HA3 GLY 7 2HA GLY 7 1.562 -6.670 -8.581 30 H LYS 8 H LYS 8 3.075 -8.795 -6.173 31 HA LYS 8 HA LYS 8 3.007 -11.030 -7.936 32 HB2 LYS 8 1HB LYS 8 3.780 -10.620 -5.069 33 HB3 LYS 8 2HB LYS 8 3.630 -12.252 -5.708 34 HG2 LYS 8 1HG LYS 8 5.187 -11.306 -7.600 35 HG3 LYS 8 2HG LYS 8 5.615 -10.134 -6.352 36 HD2 LYS 8 1HD LYS 8 5.611 -13.062 -5.732 37 HD3 LYS 8 2HD LYS 8 6.983 -12.335 -6.571 38 HE2 LYS 8 1HE LYS 8 7.497 -12.308 -4.253 39 HE3 LYS 8 2HE LYS 8 7.098 -10.652 -4.709 40 HZ1 LYS 8 1HZ LYS 8 4.872 -12.252 -3.769 41 HZ2 LYS 8 2HZ LYS 8 5.276 -10.647 -3.421 42 HZ3 LYS 8 3HZ LYS 8 6.050 -11.910 -2.604 43 H ALA 9 H ALA 9 1.498 -10.648 -4.724 44 HA ALA 9 HA ALA 9 -0.293 -12.813 -5.097 45 HB1 ALA 9 1HB ALA 9 0.499 -11.212 -2.967 46 HB2 ALA 9 2HB ALA 9 -1.226 -10.892 -3.152 47 HB3 ALA 9 3HB ALA 9 -0.656 -12.544 -2.920 48 H LYS 10 H LYS 10 -2.326 -12.900 -5.874 49 HA LYS 10 HA LYS 10 -3.360 -10.505 -7.181 50 HB2 LYS 10 1HB LYS 10 -3.842 -13.441 -7.456 51 HB3 LYS 10 2HB LYS 10 -5.099 -12.328 -7.979 52 HG2 LYS 10 1HG LYS 10 -2.328 -11.846 -8.930 53 HG3 LYS 10 2HG LYS 10 -3.230 -13.195 -9.625 54 HD2 LYS 10 1HD LYS 10 -5.115 -11.498 -9.992 55 HD3 LYS 10 2HD LYS 10 -3.892 -10.264 -9.680 56 HE2 LYS 10 1HE LYS 10 -3.963 -10.535 -12.025 57 HE3 LYS 10 2HE LYS 10 -2.506 -11.368 -11.484 58 HZ1 LYS 10 1HZ LYS 10 -3.710 -12.689 -13.096 59 HZ2 LYS 10 2HZ LYS 10 -5.102 -12.655 -12.136 60 HZ3 LYS 10 3HZ LYS 10 -3.719 -13.463 -11.592 61 HA PRO 11 HA PRO 11 -6.428 -9.726 -4.124 62 HB2 PRO 11 1HB PRO 11 -8.244 -8.407 -5.650 63 HB3 PRO 11 2HB PRO 11 -6.712 -7.686 -5.141 64 HG2 PRO 11 1HG PRO 11 -7.436 -8.945 -7.759 65 HG3 PRO 11 2HG PRO 11 -6.521 -7.459 -7.447 66 HD2 PRO 11 1HD PRO 11 -5.321 -9.805 -8.069 67 HD3 PRO 11 2HD PRO 11 -4.571 -8.603 -6.998 68 H VAL 12 H VAL 12 -8.689 -10.147 -3.602 69 HA VAL 12 HA VAL 12 -9.733 -12.474 -5.077 70 HB VAL 12 HB VAL 12 -10.867 -13.126 -2.994 71 HG11 VAL 12 1HG1 VAL 12 -8.203 -13.405 -3.616 72 HG12 VAL 12 2HG1 VAL 12 -8.165 -12.854 -1.940 73 HG13 VAL 12 3HG1 VAL 12 -9.072 -14.303 -2.372 74 HG21 VAL 12 1HG2 VAL 12 -11.263 -11.474 -1.536 75 HG22 VAL 12 2HG2 VAL 12 -9.615 -11.758 -0.975 76 HG23 VAL 12 3HG2 VAL 12 -9.938 -10.487 -2.154 77 H ALA 13 H ALA 13 -10.431 -9.296 -3.897 78 HA ALA 13 HA ALA 13 -12.858 -9.199 -5.441 79 HB1 ALA 13 1HB ALA 13 -14.113 -9.942 -3.709 80 HB2 ALA 13 2HB ALA 13 -12.934 -9.443 -2.495 81 HB3 ALA 13 3HB ALA 13 -14.008 -8.249 -3.223 82 H THR 14 H THR 14 -13.512 -7.105 -5.912 83 HA THR 14 HA THR 14 -11.958 -4.916 -4.721 84 HB THR 14 HB THR 14 -12.439 -5.169 -7.695 85 HG1 THR 14 1HG THR 14 -10.793 -6.610 -6.508 86 HG21 THR 14 1HG2 THR 14 -10.335 -3.387 -6.762 87 HG22 THR 14 2HG2 THR 14 -11.928 -2.929 -6.160 88 HG23 THR 14 3HG2 THR 14 -11.651 -3.084 -7.895 89 H ALA 15 H ALA 15 -13.077 -3.066 -4.378 90 HA ALA 15 HA ALA 15 -15.680 -2.703 -5.654 91 HB1 ALA 15 1HB ALA 15 -15.233 -3.081 -2.725 92 HB2 ALA 15 2HB ALA 15 -16.536 -2.034 -3.288 93 HB3 ALA 15 3HB ALA 15 -16.503 -3.732 -3.761 94 HA PRO 16 HA PRO 16 -14.024 1.407 -5.872 95 HB2 PRO 16 1HB PRO 16 -16.229 2.578 -6.937 96 HB3 PRO 16 2HB PRO 16 -15.126 1.569 -7.881 97 HG2 PRO 16 1HG PRO 16 -17.757 0.856 -6.644 98 HG3 PRO 16 2HG PRO 16 -17.125 0.439 -8.247 99 HD2 PRO 16 1HD PRO 16 -17.089 -1.298 -6.170 100 HD3 PRO 16 2HD PRO 16 -15.837 -1.288 -7.428 101 H ILE 17 H ILE 17 -13.853 2.819 -4.258 102 HA ILE 17 HA ILE 17 -15.769 2.922 -2.137 103 HB ILE 17 HB ILE 17 -13.337 4.628 -2.676 104 HG12 ILE 17 1HG1 ILE 17 -13.854 2.132 -1.095 105 HG13 ILE 17 2HG1 ILE 17 -12.535 2.490 -2.204 106 HG21 ILE 17 1HG2 ILE 17 -15.137 5.707 -1.274 107 HG22 ILE 17 2HG2 ILE 17 -14.860 4.431 -0.090 108 HG23 ILE 17 3HG2 ILE 17 -13.558 5.546 -0.506 109 HD11 ILE 17 1HD1 ILE 17 -12.905 3.641 0.551 110 HD12 ILE 17 2HD1 ILE 17 -11.736 2.409 0.073 111 HD13 ILE 17 3HD1 ILE 17 -11.599 4.049 -0.562 112 HA PRO 18 HA PRO 18 -18.396 6.069 -3.783 113 HB2 PRO 18 1HB PRO 18 -19.647 6.746 -1.471 114 HB3 PRO 18 2HB PRO 18 -19.997 5.254 -2.352 115 HG2 PRO 18 1HG PRO 18 -18.256 5.673 0.046 116 HG3 PRO 18 2HG PRO 18 -19.418 4.374 -0.279 117 HD2 PRO 18 1HD PRO 18 -16.749 4.059 -0.613 118 HD3 PRO 18 2HD PRO 18 -17.944 3.222 -1.625 119 H GLY 19 H GLY 19 -17.947 8.125 -4.263 120 HA2 GLY 19 1HA GLY 19 -17.563 10.395 -3.768 121 HA3 GLY 19 2HA GLY 19 -16.988 9.928 -2.175 122 H THR 20 H THR 20 -15.024 8.142 -2.693 123 HA THR 20 HA THR 20 -13.026 9.831 -4.014 124 HB THR 20 HB THR 20 -11.417 8.959 -2.631 125 HG1 THR 20 1HG THR 20 -12.999 6.608 -2.642 126 HG21 THR 20 1HG2 THR 20 -14.020 8.679 -1.146 127 HG22 THR 20 2HG2 THR 20 -12.876 10.021 -1.106 128 HG23 THR 20 3HG2 THR 20 -12.456 8.481 -0.356 129 HA PRO 21 HA PRO 21 -12.590 7.102 -7.436 130 HB2 PRO 21 1HB PRO 21 -10.008 7.609 -8.103 131 HB3 PRO 21 2HB PRO 21 -11.321 8.752 -8.408 132 HG2 PRO 21 1HG PRO 21 -9.324 8.712 -6.178 133 HG3 PRO 21 2HG PRO 21 -9.909 10.088 -7.132 134 HD2 PRO 21 1HD PRO 21 -10.834 9.538 -4.647 135 HD3 PRO 21 2HD PRO 21 -11.850 10.276 -5.903 136 H TRP 22 H TRP 22 -11.133 6.590 -4.491 137 HA TRP 22 HA TRP 22 -9.300 4.511 -5.176 138 HB2 TRP 22 1HB TRP 22 -10.576 5.353 -2.575 139 HB3 TRP 22 2HB TRP 22 -9.460 3.995 -2.687 140 HD1 TRP 22 HD TRP 22 -9.565 7.787 -2.676 141 HE1 TRP 22 1HE TRP 22 -7.159 8.695 -2.576 142 HE3 TRP 22 3HE TRP 22 -7.016 3.419 -3.424 143 HZ2 TRP 22 2HZ TRP 22 -4.528 7.693 -2.788 144 HZ3 TRP 22 3HZ TRP 22 -4.557 3.480 -3.462 145 HH2 TRP 22 HH TRP 22 -3.340 5.574 -3.151 146 H CYS 23 H CYS 23 -9.534 2.252 -4.584 147 HA CYS 23 HA CYS 23 -12.298 1.293 -4.422 148 HB2 CYS 23 1HB CYS 23 -10.309 0.107 -6.359 149 HB3 CYS 23 2HB CYS 23 -12.024 -0.261 -6.219 150 HG CYS 23 HG CYS 23 -12.826 1.465 -7.936 151 H VAL 24 H VAL 24 -12.402 0.064 -2.672 152 HA VAL 24 HA VAL 24 -10.165 -1.001 -1.332 153 HB VAL 24 HB VAL 24 -13.085 -1.732 -1.078 154 HG11 VAL 24 1HG1 VAL 24 -10.671 -2.544 0.500 155 HG12 VAL 24 2HG1 VAL 24 -12.265 -2.469 1.254 156 HG13 VAL 24 3HG1 VAL 24 -11.986 -3.544 -0.117 157 HG21 VAL 24 1HG2 VAL 24 -13.028 0.454 -0.399 158 HG22 VAL 24 2HG2 VAL 24 -12.620 -0.349 1.118 159 HG23 VAL 24 3HG2 VAL 24 -11.347 0.363 0.127 160 H VAL 25 H VAL 25 -8.960 -2.691 -1.858 161 HA VAL 25 HA VAL 25 -10.212 -4.908 -3.347 162 HB VAL 25 HB VAL 25 -7.325 -4.040 -3.540 163 HG11 VAL 25 1HG1 VAL 25 -7.025 -5.697 -5.139 164 HG12 VAL 25 2HG1 VAL 25 -8.045 -6.490 -3.937 165 HG13 VAL 25 3HG1 VAL 25 -8.755 -5.871 -5.429 166 HG21 VAL 25 1HG2 VAL 25 -9.709 -3.077 -4.888 167 HG22 VAL 25 2HG2 VAL 25 -8.073 -2.418 -4.879 168 HG23 VAL 25 3HG2 VAL 25 -8.503 -3.694 -6.018 169 H TRP 26 H TRP 26 -10.143 -6.838 -2.401 170 HA TRP 26 HA TRP 26 -8.522 -7.148 0.016 171 HB2 TRP 26 1HB TRP 26 -10.878 -8.692 -1.073 172 HB3 TRP 26 2HB TRP 26 -9.950 -9.223 0.327 173 HD1 TRP 26 HD TRP 26 -10.441 -8.063 2.621 174 HE1 TRP 26 1HE TRP 26 -12.172 -6.325 3.402 175 HE3 TRP 26 3HE TRP 26 -12.185 -6.547 -1.940 176 HZ2 TRP 26 2HZ TRP 26 -14.030 -4.547 2.239 177 HZ3 TRP 26 3HZ TRP 26 -13.940 -4.824 -2.018 178 HH2 TRP 26 HH TRP 26 -14.842 -3.846 0.029 179 H THR 27 H THR 27 -7.558 -9.333 0.399 180 HA THR 27 HA THR 27 -6.574 -10.544 -2.098 181 HB THR 27 HB THR 27 -4.370 -10.894 -0.913 182 HG1 THR 27 1HG THR 27 -4.772 -10.460 1.194 183 HG21 THR 27 1HG2 THR 27 -3.496 -8.842 -1.626 184 HG22 THR 27 2HG2 THR 27 -4.971 -7.967 -1.214 185 HG23 THR 27 3HG2 THR 27 -4.946 -9.047 -2.608 186 H GLY 28 H GLY 28 -5.294 -12.661 -1.460 187 HA2 GLY 28 1HA GLY 28 -7.231 -14.334 -0.119 188 HA3 GLY 28 2HA GLY 28 -5.770 -14.872 -0.934 189 H ASP 29 H ASP 29 -4.623 -12.533 0.935 190 HA ASP 29 HA ASP 29 -3.953 -14.405 3.090 191 HB2 ASP 29 1HB ASP 29 -2.221 -13.090 1.621 192 HB3 ASP 29 2HB ASP 29 -2.592 -11.763 2.718 193 H GLU 30 H GLU 30 -6.504 -13.184 3.131 194 HA GLU 30 HA GLU 30 -7.904 -11.917 4.420 195 HB2 GLU 30 1HB GLU 30 -5.811 -12.797 6.406 196 HB3 GLU 30 2HB GLU 30 -7.278 -11.953 6.883 197 HG2 GLU 30 1HG GLU 30 -8.535 -13.808 5.666 198 HG3 GLU 30 2HG GLU 30 -7.002 -14.678 5.669 199 H ARG 31 H ARG 31 -6.236 -10.307 2.935 200 HA ARG 31 HA ARG 31 -5.838 -8.042 4.768 201 HB2 ARG 31 1HB ARG 31 -3.945 -9.164 2.745 202 HB3 ARG 31 2HB ARG 31 -3.957 -7.427 3.023 203 HG2 ARG 31 1HG ARG 31 -3.778 -8.155 5.540 204 HG3 ARG 31 2HG ARG 31 -3.125 -9.633 4.831 205 HD2 ARG 31 1HD ARG 31 -1.686 -7.908 3.442 206 HD3 ARG 31 2HD ARG 31 -2.026 -6.868 4.825 207 HE ARG 31 HE ARG 31 -1.119 -9.358 5.751 208 HH11 ARG 31 2HH1 ARG 31 0.040 -6.533 4.079 209 HH12 ARG 31 1HH1 ARG 31 1.668 -6.705 4.648 210 HH21 ARG 31 2HH2 ARG 31 1.021 -9.595 6.506 211 HH22 ARG 31 1HH2 ARG 31 2.225 -8.447 6.027 212 H VAL 32 H VAL 32 -5.635 -5.937 3.466 213 HA VAL 32 HA VAL 32 -7.081 -5.918 0.952 214 HB VAL 32 HB VAL 32 -8.931 -5.906 2.522 215 HG11 VAL 32 1HG1 VAL 32 -8.704 -3.412 3.805 216 HG12 VAL 32 2HG1 VAL 32 -8.681 -5.016 4.542 217 HG13 VAL 32 3HG1 VAL 32 -7.170 -4.247 4.054 218 HG21 VAL 32 1HG2 VAL 32 -9.632 -4.644 0.770 219 HG22 VAL 32 2HG2 VAL 32 -9.672 -3.392 2.012 220 HG23 VAL 32 3HG2 VAL 32 -8.297 -3.501 0.914 221 H PHE 33 H PHE 33 -6.589 -4.177 -0.293 222 HA PHE 33 HA PHE 33 -5.030 -2.013 0.951 223 HB2 PHE 33 1HB PHE 33 -3.509 -1.983 -0.924 224 HB3 PHE 33 2HB PHE 33 -3.558 -3.616 -0.268 225 HD1 PHE 33 1HD PHE 33 -4.808 -5.387 -1.469 226 HD2 PHE 33 2HD PHE 33 -4.186 -1.523 -3.142 227 HE1 PHE 33 1HE PHE 33 -5.359 -6.268 -3.699 228 HE2 PHE 33 2HE PHE 33 -4.737 -2.397 -5.375 229 HZ PHE 33 HZ PHE 33 -5.326 -4.772 -5.656 230 H PHE 34 H PHE 34 -4.794 -0.131 -0.692 231 HA PHE 34 HA PHE 34 -7.473 0.385 -1.786 232 HB2 PHE 34 1HB PHE 34 -5.338 2.396 -1.050 233 HB3 PHE 34 2HB PHE 34 -7.003 2.747 -1.503 234 HD1 PHE 34 2HD PHE 34 -4.831 1.366 1.120 235 HD2 PHE 34 1HD PHE 34 -8.782 2.547 0.066 236 HE1 PHE 34 2HE PHE 34 -5.494 1.245 3.486 237 HE2 PHE 34 1HE PHE 34 -9.452 2.429 2.431 238 HZ PHE 34 HZ PHE 34 -7.807 1.777 4.144 239 H TYR 35 H TYR 35 -7.748 0.675 -3.905 240 HA TYR 35 HA TYR 35 -5.345 1.027 -5.576 241 HB2 TYR 35 1HB TYR 35 -6.245 -1.184 -5.928 242 HB3 TYR 35 2HB TYR 35 -7.867 -0.538 -6.153 243 HD1 TYR 35 1HD TYR 35 -4.485 0.173 -7.598 244 HD2 TYR 35 2HD TYR 35 -8.595 -0.650 -8.330 245 HE1 TYR 35 1HE TYR 35 -4.080 0.333 -10.018 246 HE2 TYR 35 2HE TYR 35 -8.200 -0.494 -10.753 247 HH TYR 35 HH TYR 35 -5.942 0.937 -12.159 248 H ASN 36 H ASN 36 -5.591 2.255 -7.516 249 HA ASN 36 HA ASN 36 -7.973 3.968 -7.623 250 HB2 ASN 36 1HB ASN 36 -6.064 5.120 -6.442 251 HB3 ASN 36 2HB ASN 36 -5.160 5.023 -7.950 252 HD21 ASN 36 1HD2 ASN 36 -6.715 7.120 -6.158 253 HD22 ASN 36 2HD2 ASN 36 -7.427 8.140 -7.358 254 HA PRO 37 HA PRO 37 -7.348 2.317 -11.806 255 HB2 PRO 37 1HB PRO 37 -9.935 2.667 -12.552 256 HB3 PRO 37 2HB PRO 37 -9.386 1.273 -11.615 257 HG2 PRO 37 1HG PRO 37 -10.728 3.777 -10.674 258 HG3 PRO 37 2HG PRO 37 -11.027 2.098 -10.190 259 HD2 PRO 37 1HD PRO 37 -9.556 3.806 -8.690 260 HD3 PRO 37 2HD PRO 37 -9.231 2.061 -8.746 261 H THR 38 H THR 38 -7.927 5.365 -10.582 262 HA THR 38 HA THR 38 -8.275 6.622 -13.203 263 HB THR 38 HB THR 38 -8.285 7.879 -10.452 264 HG1 THR 38 1HG THR 38 -10.417 7.227 -12.233 265 HG21 THR 38 1HG2 THR 38 -9.432 9.204 -12.856 266 HG22 THR 38 2HG2 THR 38 -7.679 9.211 -12.666 267 HG23 THR 38 3HG2 THR 38 -8.705 9.912 -11.415 268 H THR 39 H THR 39 -5.984 6.344 -10.556 269 HA THR 39 HA THR 39 -4.011 7.806 -12.189 270 HB THR 39 HB THR 39 -2.889 8.513 -10.151 271 HG1 THR 39 1HG THR 39 -3.500 7.822 -8.191 272 HG21 THR 39 1HG2 THR 39 -5.236 9.534 -11.094 273 HG22 THR 39 2HG2 THR 39 -4.240 10.289 -9.851 274 HG23 THR 39 3HG2 THR 39 -5.615 9.286 -9.391 275 H ARG 40 H ARG 40 -4.819 4.840 -11.713 276 HA ARG 40 HA ARG 40 -3.801 2.811 -11.412 277 HB2 ARG 40 1HB ARG 40 -1.630 4.381 -12.810 278 HB3 ARG 40 2HB ARG 40 -1.614 2.633 -12.616 279 HG2 ARG 40 1HG ARG 40 -3.995 2.856 -13.752 280 HG3 ARG 40 2HG ARG 40 -3.271 4.334 -14.388 281 HD2 ARG 40 1HD ARG 40 -2.106 1.561 -14.622 282 HD3 ARG 40 2HD ARG 40 -2.957 2.426 -15.901 283 HE ARG 40 HE ARG 40 -0.958 4.121 -15.232 284 HH11 ARG 40 2HH1 ARG 40 -1.050 0.751 -16.099 285 HH12 ARG 40 1HH1 ARG 40 0.526 0.759 -16.820 286 HH21 ARG 40 2HH2 ARG 40 1.118 4.144 -16.177 287 HH22 ARG 40 1HH2 ARG 40 1.758 2.689 -16.862 288 H LEU 41 H LEU 41 -3.629 4.452 -9.112 289 HA LEU 41 HA LEU 41 -0.949 3.830 -8.071 290 HB2 LEU 41 1HB LEU 41 -2.008 6.204 -8.012 291 HB3 LEU 41 2HB LEU 41 -2.935 5.563 -6.658 292 HG LEU 41 HG LEU 41 -0.971 6.839 -5.928 293 HD11 LEU 41 1HD1 LEU 41 -1.915 4.672 -4.800 294 HD12 LEU 41 2HD1 LEU 41 -0.433 5.422 -4.209 295 HD13 LEU 41 3HD1 LEU 41 -0.347 4.005 -5.255 296 HD21 LEU 41 1HD2 LEU 41 1.036 4.877 -6.568 297 HD22 LEU 41 2HD2 LEU 41 1.033 6.616 -6.862 298 HD23 LEU 41 3HD2 LEU 41 0.302 5.522 -8.037 299 H SER 42 H SER 42 -0.694 2.365 -6.498 300 HA SER 42 HA SER 42 -3.043 1.476 -4.983 301 HB2 SER 42 1HB SER 42 -2.590 -0.842 -5.368 302 HB3 SER 42 2HB SER 42 -2.607 -0.059 -6.948 303 HG SER 42 HG SER 42 -0.188 0.129 -6.437 304 H MET 43 H MET 43 -2.549 1.895 -2.936 305 HA MET 43 HA MET 43 0.214 1.458 -2.028 306 HB2 MET 43 1HB MET 43 -1.835 2.971 -0.447 307 HB3 MET 43 2HB MET 43 -0.082 3.115 -0.414 308 HG2 MET 43 1HG MET 43 -0.452 3.908 -2.902 309 HG3 MET 43 2HG MET 43 -2.053 4.306 -2.283 310 HE1 MET 43 1HE MET 43 -0.694 6.427 0.926 311 HE2 MET 43 2HE MET 43 -1.965 5.315 0.419 312 HE3 MET 43 3HE MET 43 -0.374 4.694 0.865 313 H TRP 44 H TRP 44 0.519 0.559 0.122 314 HA TRP 44 HA TRP 44 -1.353 -1.615 0.605 315 HB2 TRP 44 1HB TRP 44 1.470 -1.030 1.360 316 HB3 TRP 44 2HB TRP 44 0.543 -2.091 2.416 317 HD1 TRP 44 HD TRP 44 2.650 -2.188 -0.595 318 HE1 TRP 44 1HE TRP 44 2.443 -4.461 -1.784 319 HE3 TRP 44 3HE TRP 44 -1.479 -3.994 1.819 320 HZ2 TRP 44 2HZ TRP 44 0.753 -6.720 -1.710 321 HZ3 TRP 44 3HZ TRP 44 -2.327 -6.219 1.200 322 HH2 TRP 44 HH TRP 44 -1.234 -7.552 -0.528 323 H ASP 45 H ASP 45 -0.916 1.502 1.697 324 HA ASP 45 HA ASP 45 -2.264 0.884 4.244 325 HB2 ASP 45 1HB ASP 45 -0.150 2.925 3.611 326 HB3 ASP 45 2HB ASP 45 -1.250 3.156 4.967 327 H ARG 46 H ARG 46 -3.325 3.072 5.077 328 HA ARG 46 HA ARG 46 -5.215 3.812 2.995 329 HB2 ARG 46 1HB ARG 46 -5.786 3.134 5.433 330 HB3 ARG 46 2HB ARG 46 -5.318 4.781 5.835 331 HG2 ARG 46 1HG ARG 46 -7.269 4.394 3.635 332 HG3 ARG 46 2HG ARG 46 -7.816 4.124 5.291 333 HD2 ARG 46 1HD ARG 46 -6.568 6.436 5.671 334 HD3 ARG 46 2HD ARG 46 -6.934 6.626 3.956 335 HE ARG 46 HE ARG 46 -9.135 6.925 4.500 336 HH11 ARG 46 2HH1 ARG 46 -7.480 5.502 7.212 337 HH12 ARG 46 1HH1 ARG 46 -8.832 5.655 8.285 338 HH21 ARG 46 2HH2 ARG 46 -10.922 7.132 5.902 339 HH22 ARG 46 1HH2 ARG 46 -10.790 6.581 7.538 340 HA PRO 47 HA PRO 47 -2.769 7.527 2.332 341 HB2 PRO 47 1HB PRO 47 -4.137 8.306 0.120 342 HB3 PRO 47 2HB PRO 47 -2.888 7.056 0.086 343 HG2 PRO 47 1HG PRO 47 -5.866 6.758 0.173 344 HG3 PRO 47 2HG PRO 47 -4.679 5.864 -0.796 345 HD2 PRO 47 1HD PRO 47 -5.760 4.859 1.475 346 HD3 PRO 47 2HD PRO 47 -4.105 4.479 0.955 347 H ASP 48 H ASP 48 -3.210 9.795 2.371 348 HA ASP 48 HA ASP 48 -5.144 10.604 4.197 349 HB2 ASP 48 1HB ASP 48 -4.684 12.937 3.048 350 HB3 ASP 48 2HB ASP 48 -3.440 12.142 4.010 351 H ASP 49 H ASP 49 -5.179 10.827 0.653 352 HA ASP 49 HA ASP 49 -7.413 12.216 0.104 353 HB2 ASP 49 1HB ASP 49 -6.287 9.735 -1.125 354 HB3 ASP 49 2HB ASP 49 -7.846 10.326 -1.691 355 H LEU 50 H LEU 50 -7.296 9.158 1.732 356 HA LEU 50 HA LEU 50 -10.223 8.942 1.653 357 HB2 LEU 50 1HB LEU 50 -8.047 6.984 2.330 358 HB3 LEU 50 2HB LEU 50 -9.739 6.676 2.718 359 HG LEU 50 HG LEU 50 -8.532 6.990 -0.028 360 HD11 LEU 50 1HD1 LEU 50 -10.088 4.612 0.733 361 HD12 LEU 50 2HD1 LEU 50 -8.531 4.796 1.540 362 HD13 LEU 50 3HD1 LEU 50 -8.611 4.750 -0.221 363 HD21 LEU 50 1HD2 LEU 50 -11.092 6.114 -0.386 364 HD22 LEU 50 2HD2 LEU 50 -10.547 7.777 -0.603 365 HD23 LEU 50 3HD2 LEU 50 -11.283 7.282 0.922 366 H ILE 51 H ILE 51 -7.484 9.293 3.817 367 HA ILE 51 HA ILE 51 -8.568 8.827 6.282 368 HB ILE 51 HB ILE 51 -6.704 11.068 5.499 369 HG12 ILE 51 1HG1 ILE 51 -6.221 8.305 6.634 370 HG13 ILE 51 2HG1 ILE 51 -5.815 8.856 5.013 371 HG21 ILE 51 1HG2 ILE 51 -8.076 10.744 7.917 372 HG22 ILE 51 2HG2 ILE 51 -6.432 10.183 8.219 373 HG23 ILE 51 3HG2 ILE 51 -6.708 11.809 7.593 374 HD11 ILE 51 1HD1 ILE 51 -3.982 9.997 5.713 375 HD12 ILE 51 2HD1 ILE 51 -4.661 10.336 7.305 376 HD13 ILE 51 3HD1 ILE 51 -4.024 8.733 6.941 377 H GLY 52 H GLY 52 -10.261 9.584 7.362 378 HA2 GLY 52 1HA GLY 52 -11.359 11.541 8.330 379 HA3 GLY 52 2HA GLY 52 -11.181 12.327 6.769 380 H ARG 53 H ARG 53 -11.936 9.727 5.435 381 HA ARG 53 HA ARG 53 -14.809 10.186 5.546 382 HB2 ARG 53 1HB ARG 53 -13.175 8.448 3.688 383 HB3 ARG 53 2HB ARG 53 -14.893 8.786 3.527 384 HG2 ARG 53 1HG ARG 53 -14.199 11.251 3.415 385 HG3 ARG 53 2HG ARG 53 -12.571 10.633 3.125 386 HD2 ARG 53 1HD ARG 53 -13.108 9.795 1.068 387 HD3 ARG 53 2HD ARG 53 -14.794 9.516 1.502 388 HE ARG 53 HE ARG 53 -13.710 11.845 0.275 389 HH11 ARG 53 2HH1 ARG 53 -16.167 10.743 2.481 390 HH12 ARG 53 1HH1 ARG 53 -17.230 12.075 2.168 391 HH21 ARG 53 2HH2 ARG 53 -15.100 13.604 -0.145 392 HH22 ARG 53 1HH2 ARG 53 -16.622 13.701 0.673 393 H ALA 54 H ALA 54 -16.325 8.666 6.106 394 HA ALA 54 HA ALA 54 -15.363 6.482 7.763 395 HB1 ALA 54 1HB ALA 54 -18.264 6.973 7.318 396 HB2 ALA 54 2HB ALA 54 -17.410 6.490 8.784 397 HB3 ALA 54 3HB ALA 54 -17.334 8.162 8.230 398 H ASP 55 H ASP 55 -17.202 6.966 4.793 399 HA ASP 55 HA ASP 55 -18.203 4.472 4.296 400 HB2 ASP 55 1HB ASP 55 -17.579 5.034 1.814 401 HB3 ASP 55 2HB ASP 55 -18.753 6.029 2.670 402 H VAL 56 H VAL 56 -14.940 5.594 3.398 403 HA VAL 56 HA VAL 56 -13.939 3.322 2.242 404 HB VAL 56 HB VAL 56 -12.585 5.280 2.265 405 HG11 VAL 56 1HG1 VAL 56 -11.913 6.476 4.115 406 HG12 VAL 56 2HG1 VAL 56 -13.498 5.899 4.634 407 HG13 VAL 56 3HG1 VAL 56 -12.036 5.085 5.192 408 HG21 VAL 56 1HG2 VAL 56 -10.465 4.391 2.790 409 HG22 VAL 56 2HG2 VAL 56 -11.122 3.367 4.067 410 HG23 VAL 56 3HG2 VAL 56 -11.470 3.001 2.377 411 H ASP 57 H ASP 57 -13.910 4.108 5.713 412 HA ASP 57 HA ASP 57 -12.637 1.784 6.600 413 HB2 ASP 57 1HB ASP 57 -14.558 3.689 7.920 414 HB3 ASP 57 2HB ASP 57 -13.924 2.288 8.778 415 H LYS 58 H LYS 58 -16.131 2.487 6.804 416 HA LYS 58 HA LYS 58 -17.126 0.121 7.616 417 HB2 LYS 58 1HB LYS 58 -18.595 1.965 7.136 418 HB3 LYS 58 2HB LYS 58 -18.207 1.894 5.422 419 HG2 LYS 58 1HG LYS 58 -19.191 -0.471 5.495 420 HG3 LYS 58 2HG LYS 58 -19.879 0.014 7.047 421 HD2 LYS 58 1HD LYS 58 -20.968 1.927 5.939 422 HD3 LYS 58 2HD LYS 58 -20.314 1.384 4.392 423 HE2 LYS 58 1HE LYS 58 -21.959 -0.467 6.071 424 HE3 LYS 58 2HE LYS 58 -22.743 0.745 5.060 425 HZ1 LYS 58 1HZ LYS 58 -22.594 -0.799 3.474 426 HZ2 LYS 58 2HZ LYS 58 -21.432 -1.703 4.305 427 HZ3 LYS 58 3HZ LYS 58 -20.960 -0.374 3.371 428 H ILE 59 H ILE 59 -16.650 0.865 4.156 429 HA ILE 59 HA ILE 59 -17.276 -1.498 3.001 430 HB ILE 59 HB ILE 59 -14.876 0.201 2.315 431 HG12 ILE 59 1HG1 ILE 59 -17.616 0.179 1.044 432 HG13 ILE 59 2HG1 ILE 59 -17.159 1.296 2.326 433 HG21 ILE 59 1HG2 ILE 59 -15.724 -0.943 -0.016 434 HG22 ILE 59 2HG2 ILE 59 -14.358 -1.496 0.951 435 HG23 ILE 59 3HG2 ILE 59 -15.938 -2.256 1.143 436 HD11 ILE 59 1HD1 ILE 59 -15.569 1.102 -0.200 437 HD12 ILE 59 2HD1 ILE 59 -17.017 2.103 -0.092 438 HD13 ILE 59 3HD1 ILE 59 -15.644 2.420 0.968 439 H ILE 60 H ILE 60 -13.945 -0.739 4.039 440 HA ILE 60 HA ILE 60 -12.854 -3.255 3.666 441 HB ILE 60 HB ILE 60 -12.136 -1.204 5.763 442 HG12 ILE 60 1HG1 ILE 60 -10.608 -1.763 3.242 443 HG13 ILE 60 2HG1 ILE 60 -12.025 -0.720 3.195 444 HG21 ILE 60 1HG2 ILE 60 -11.326 -3.477 6.315 445 HG22 ILE 60 2HG2 ILE 60 -10.483 -3.519 4.768 446 HG23 ILE 60 3HG2 ILE 60 -10.021 -2.336 5.991 447 HD11 ILE 60 1HD1 ILE 60 -9.451 0.061 3.733 448 HD12 ILE 60 2HD1 ILE 60 -10.912 0.988 4.076 449 HD13 ILE 60 3HD1 ILE 60 -10.191 -0.019 5.332 450 H GLN 61 H GLN 61 -14.358 -1.924 6.600 451 HA GLN 61 HA GLN 61 -13.958 -4.067 8.307 452 HB2 GLN 61 1HB GLN 61 -16.377 -2.259 8.184 453 HB3 GLN 61 2HB GLN 61 -15.901 -3.245 9.559 454 HG2 GLN 61 1HG GLN 61 -13.667 -1.898 9.365 455 HG3 GLN 61 2HG GLN 61 -14.686 -0.741 8.510 456 HE21 GLN 61 1HE2 GLN 61 -14.526 -2.629 11.498 457 HE22 GLN 61 2HE2 GLN 61 -15.284 -1.440 12.497 458 H GLU 62 H GLU 62 -16.881 -3.431 6.359 459 HA GLU 62 HA GLU 62 -17.554 -6.283 6.591 460 HB2 GLU 62 1HB GLU 62 -19.141 -4.241 7.226 461 HB3 GLU 62 2HB GLU 62 -19.502 -4.309 5.507 462 HG2 GLU 62 1HG GLU 62 -19.596 -6.841 7.050 463 HG3 GLU 62 2HG GLU 62 -20.893 -5.671 7.288 464 HA PRO 63 HA PRO 63 -16.090 -5.973 2.257 465 HB2 PRO 63 1HB PRO 63 -15.191 -8.533 2.163 466 HB3 PRO 63 2HB PRO 63 -14.230 -7.201 2.817 467 HG2 PRO 63 1HG PRO 63 -15.860 -9.252 4.266 468 HG3 PRO 63 2HG PRO 63 -14.244 -8.631 4.651 469 HD2 PRO 63 1HD PRO 63 -16.476 -7.771 5.920 470 HD3 PRO 63 2HD PRO 63 -15.076 -6.718 5.632 471 HA PRO 64 HA PRO 64 -19.697 -7.788 0.476 472 HB2 PRO 64 1HB PRO 64 -18.859 -7.958 -2.101 473 HB3 PRO 64 2HB PRO 64 -19.304 -6.428 -1.334 474 HG2 PRO 64 1HG PRO 64 -16.587 -7.600 -1.790 475 HG3 PRO 64 2HG PRO 64 -17.136 -5.928 -2.010 476 HD2 PRO 64 1HD PRO 64 -15.749 -6.730 0.173 477 HD3 PRO 64 2HD PRO 64 -16.972 -5.445 0.238 478 H HIS 65 H HIS 65 -16.600 -9.194 -0.599 479 HA HIS 65 HA HIS 65 -17.695 -11.691 -1.355 480 HB2 HIS 65 1HB HIS 65 -15.451 -12.430 -1.629 481 HB3 HIS 65 2HB HIS 65 -15.462 -10.726 -2.076 482 HD1 HIS 65 1HD HIS 65 -14.529 -9.055 -0.173 483 HD2 HIS 65 2HD HIS 65 -13.658 -13.088 0.315 484 HE1 HIS 65 1HE HIS 65 -12.639 -9.139 1.484 485 H LYS 66 H LYS 66 -15.833 -10.732 1.529 486 HA LYS 66 HA LYS 66 -16.445 -13.245 2.834 487 HB2 LYS 66 1HB LYS 66 -14.254 -12.419 3.240 488 HB3 LYS 66 2HB LYS 66 -14.855 -10.816 3.643 489 HG2 LYS 66 1HG LYS 66 -14.348 -11.667 5.715 490 HG3 LYS 66 2HG LYS 66 -16.067 -12.046 5.585 491 HD2 LYS 66 1HD LYS 66 -15.137 -14.035 6.357 492 HD3 LYS 66 2HD LYS 66 -15.268 -14.301 4.617 493 HE2 LYS 66 1HE LYS 66 -12.964 -13.951 4.287 494 HE3 LYS 66 2HE LYS 66 -12.761 -13.234 5.884 495 HZ1 LYS 66 1HZ LYS 66 -12.041 -15.272 6.418 496 HZ2 LYS 66 2HZ LYS 66 -12.799 -16.018 5.103 497 HZ3 LYS 66 3HZ LYS 66 -13.684 -15.669 6.502 498 H LYS 67 H LYS 67 -18.335 -13.544 3.796 499 HA LYS 67 HA LYS 67 -19.566 -11.270 5.210 500 HB2 LYS 67 1HB LYS 67 -20.922 -13.491 3.674 501 HB3 LYS 67 2HB LYS 67 -21.770 -12.348 4.708 502 HG2 LYS 67 1HG LYS 67 -20.040 -11.392 2.462 503 HG3 LYS 67 2HG LYS 67 -21.700 -11.918 2.175 504 HD2 LYS 67 1HD LYS 67 -22.572 -10.235 3.604 505 HD3 LYS 67 2HD LYS 67 -20.970 -9.851 4.240 506 HE2 LYS 67 1HE LYS 67 -21.668 -8.150 2.664 507 HE3 LYS 67 2HE LYS 67 -20.301 -9.052 2.011 508 HZ1 LYS 67 1HZ LYS 67 -22.814 -8.659 0.859 509 HZ2 LYS 67 2HZ LYS 67 -22.672 -10.309 1.202 510 HZ3 LYS 67 3HZ LYS 67 -21.510 -9.541 0.241 511 H SER 68 H SER 68 -18.751 -11.787 7.222 512 HA SER 68 HA SER 68 -19.666 -14.353 8.349 513 HB2 SER 68 1HB SER 68 -17.159 -12.769 8.906 514 HB3 SER 68 2HB SER 68 -17.744 -14.023 9.999 515 HG SER 68 HG SER 68 -16.167 -14.535 8.167 516 H GLY 69 H GLY 69 -21.162 -14.186 9.876 517 HA2 GLY 69 1HA GLY 69 -21.165 -11.809 11.608 518 HA3 GLY 69 2HA GLY 69 -22.641 -12.257 10.765 519 HA PRO 70 HA PRO 70 -22.377 -14.364 14.963 520 HB2 PRO 70 1HB PRO 70 -24.616 -13.238 16.006 521 HB3 PRO 70 2HB PRO 70 -23.015 -12.505 16.153 522 HG2 PRO 70 1HG PRO 70 -25.219 -11.869 14.231 523 HG3 PRO 70 2HG PRO 70 -24.166 -10.762 15.131 524 HD2 PRO 70 1HD PRO 70 -23.753 -11.370 12.525 525 HD3 PRO 70 2HD PRO 70 -22.422 -11.012 13.644 526 H SER 71 H SER 71 -22.878 -16.257 13.741 527 HA SER 71 HA SER 71 -25.748 -16.732 13.300 528 HB2 SER 71 1HB SER 71 -25.142 -18.413 11.702 529 HB3 SER 71 2HB SER 71 -24.164 -16.989 11.348 530 HG SER 71 HG SER 71 -22.471 -18.010 12.574 531 H SER 72 H SER 72 -26.797 -18.123 14.560 532 HA SER 72 HA SER 72 -25.279 -19.621 16.551 533 HB2 SER 72 1HB SER 72 -28.277 -19.276 16.317 534 HB3 SER 72 2HB SER 72 -27.392 -19.903 17.708 535 HG SER 72 HG SER 72 -26.739 -17.922 18.213 536 H GLY 73 H GLY 73 -24.453 -21.307 15.280 537 HA2 GLY 73 1HA GLY 73 -25.949 -23.651 15.181 538 HA3 GLY 73 2HA GLY 73 -26.041 -22.926 13.583 Start of MODEL 11 1 H1 GLY 1 H GLY 1 20.996 -9.128 -7.608 2 HA2 GLY 1 1HA GLY 1 21.008 -6.269 -8.024 3 HA3 GLY 1 2HA GLY 1 19.597 -7.078 -8.691 4 H SER 2 H SER 2 19.469 -5.133 -6.670 5 HA SER 2 HA SER 2 19.272 -6.318 -4.090 6 HB2 SER 2 1HB SER 2 18.411 -3.702 -5.284 7 HB3 SER 2 2HB SER 2 17.856 -4.158 -3.673 8 HG SER 2 HG SER 2 20.581 -4.132 -4.458 9 H SER 3 H SER 3 17.885 -7.950 -3.786 10 HA SER 3 HA SER 3 15.651 -8.673 -5.113 11 HB2 SER 3 1HB SER 3 16.756 -9.772 -3.056 12 HB3 SER 3 2HB SER 3 15.658 -8.776 -2.102 13 HG SER 3 HG SER 3 14.916 -10.653 -4.100 14 H GLY 4 H GLY 4 13.353 -8.439 -4.711 15 HA2 GLY 4 1HA GLY 4 12.351 -6.300 -3.104 16 HA3 GLY 4 2HA GLY 4 12.430 -5.845 -4.800 17 H SER 5 H SER 5 11.384 -7.437 -6.332 18 HA SER 5 HA SER 5 8.884 -8.415 -5.119 19 HB2 SER 5 1HB SER 5 9.469 -7.043 -7.710 20 HB3 SER 5 2HB SER 5 8.128 -8.187 -7.646 21 HG SER 5 HG SER 5 8.344 -6.237 -5.646 22 H SER 6 H SER 6 9.264 -10.536 -4.763 23 HA SER 6 HA SER 6 10.351 -12.140 -6.974 24 HB2 SER 6 1HB SER 6 11.370 -12.159 -4.581 25 HB3 SER 6 2HB SER 6 9.980 -13.164 -4.172 26 HG SER 6 HG SER 6 10.761 -14.759 -5.353 27 H GLY 7 H GLY 7 7.883 -12.368 -4.403 28 HA2 GLY 7 1HA GLY 7 6.387 -14.248 -6.094 29 HA3 GLY 7 2HA GLY 7 6.147 -14.003 -4.370 30 H LYS 8 H LYS 8 4.568 -13.701 -7.100 31 HA LYS 8 HA LYS 8 3.586 -10.998 -6.888 32 HB2 LYS 8 1HB LYS 8 2.378 -11.422 -8.830 33 HB3 LYS 8 2HB LYS 8 3.781 -12.466 -9.018 34 HG2 LYS 8 1HG LYS 8 1.130 -13.395 -7.940 35 HG3 LYS 8 2HG LYS 8 1.613 -13.519 -9.634 36 HD2 LYS 8 1HD LYS 8 3.614 -14.824 -8.873 37 HD3 LYS 8 2HD LYS 8 2.913 -14.836 -7.253 38 HE2 LYS 8 1HE LYS 8 2.211 -16.862 -8.144 39 HE3 LYS 8 2HE LYS 8 0.823 -15.809 -8.411 40 HZ1 LYS 8 1HZ LYS 8 2.834 -15.994 -10.529 41 HZ2 LYS 8 2HZ LYS 8 1.161 -15.774 -10.646 42 HZ3 LYS 8 3HZ LYS 8 1.791 -17.309 -10.316 43 H ALA 9 H ALA 9 1.055 -10.811 -6.973 44 HA ALA 9 HA ALA 9 -0.370 -12.679 -5.313 45 HB1 ALA 9 1HB ALA 9 -0.240 -9.931 -4.161 46 HB2 ALA 9 2HB ALA 9 -0.623 -11.465 -3.378 47 HB3 ALA 9 3HB ALA 9 1.046 -11.084 -3.802 48 H LYS 10 H LYS 10 -2.384 -12.739 -6.048 49 HA LYS 10 HA LYS 10 -3.415 -10.410 -7.514 50 HB2 LYS 10 1HB LYS 10 -3.804 -13.350 -7.758 51 HB3 LYS 10 2HB LYS 10 -5.168 -12.318 -8.168 52 HG2 LYS 10 1HG LYS 10 -3.891 -12.842 -10.147 53 HG3 LYS 10 2HG LYS 10 -3.762 -11.120 -9.783 54 HD2 LYS 10 1HD LYS 10 -1.553 -11.272 -9.190 55 HD3 LYS 10 2HD LYS 10 -1.694 -12.957 -8.681 56 HE2 LYS 10 1HE LYS 10 -0.533 -13.253 -10.619 57 HE3 LYS 10 2HE LYS 10 -2.173 -13.310 -11.261 58 HZ1 LYS 10 1HZ LYS 10 -1.746 -10.726 -11.437 59 HZ2 LYS 10 2HZ LYS 10 -1.280 -11.793 -12.664 60 HZ3 LYS 10 3HZ LYS 10 -0.137 -11.238 -11.547 61 HA PRO 11 HA PRO 11 -6.382 -9.614 -4.361 62 HB2 PRO 11 1HB PRO 11 -8.250 -8.314 -5.842 63 HB3 PRO 11 2HB PRO 11 -6.706 -7.583 -5.387 64 HG2 PRO 11 1HG PRO 11 -7.505 -8.867 -7.970 65 HG3 PRO 11 2HG PRO 11 -6.586 -7.375 -7.699 66 HD2 PRO 11 1HD PRO 11 -5.397 -9.722 -8.338 67 HD3 PRO 11 2HD PRO 11 -4.620 -8.509 -7.301 68 H VAL 12 H VAL 12 -8.625 -10.037 -3.767 69 HA VAL 12 HA VAL 12 -9.724 -12.360 -5.211 70 HB VAL 12 HB VAL 12 -10.782 -13.000 -3.055 71 HG11 VAL 12 1HG1 VAL 12 -8.840 -14.196 -3.564 72 HG12 VAL 12 2HG1 VAL 12 -7.796 -12.802 -3.276 73 HG13 VAL 12 3HG1 VAL 12 -8.571 -13.620 -1.919 74 HG21 VAL 12 1HG2 VAL 12 -9.192 -11.684 -1.184 75 HG22 VAL 12 2HG2 VAL 12 -9.754 -10.417 -2.274 76 HG23 VAL 12 3HG2 VAL 12 -10.920 -11.456 -1.456 77 H ALA 13 H ALA 13 -10.386 -9.225 -3.871 78 HA ALA 13 HA ALA 13 -12.918 -9.141 -5.274 79 HB1 ALA 13 1HB ALA 13 -13.837 -9.977 -3.305 80 HB2 ALA 13 2HB ALA 13 -12.738 -9.048 -2.284 81 HB3 ALA 13 3HB ALA 13 -14.042 -8.232 -3.147 82 H THR 14 H THR 14 -13.603 -7.060 -5.750 83 HA THR 14 HA THR 14 -11.981 -4.836 -4.736 84 HB THR 14 HB THR 14 -12.604 -5.182 -7.673 85 HG1 THR 14 1HG THR 14 -10.201 -5.656 -6.216 86 HG21 THR 14 1HG2 THR 14 -10.463 -3.419 -7.252 87 HG22 THR 14 2HG2 THR 14 -11.692 -2.974 -6.068 88 HG23 THR 14 3HG2 THR 14 -12.094 -3.015 -7.784 89 H ALA 15 H ALA 15 -13.133 -3.058 -4.274 90 HA ALA 15 HA ALA 15 -15.777 -2.707 -5.488 91 HB1 ALA 15 1HB ALA 15 -16.598 -2.029 -3.152 92 HB2 ALA 15 2HB ALA 15 -16.436 -3.749 -3.509 93 HB3 ALA 15 3HB ALA 15 -15.203 -2.927 -2.553 94 HA PRO 16 HA PRO 16 -14.101 1.392 -5.865 95 HB2 PRO 16 1HB PRO 16 -16.308 2.515 -6.978 96 HB3 PRO 16 2HB PRO 16 -15.196 1.481 -7.883 97 HG2 PRO 16 1HG PRO 16 -17.828 0.794 -6.633 98 HG3 PRO 16 2HG PRO 16 -17.187 0.327 -8.219 99 HD2 PRO 16 1HD PRO 16 -17.149 -1.338 -6.084 100 HD3 PRO 16 2HD PRO 16 -15.892 -1.364 -7.337 101 H ILE 17 H ILE 17 -13.952 2.877 -4.314 102 HA ILE 17 HA ILE 17 -15.865 3.032 -2.194 103 HB ILE 17 HB ILE 17 -13.486 4.793 -2.793 104 HG12 ILE 17 1HG1 ILE 17 -13.874 2.280 -1.202 105 HG13 ILE 17 2HG1 ILE 17 -12.592 2.688 -2.337 106 HG21 ILE 17 1HG2 ILE 17 -14.918 4.534 -0.164 107 HG22 ILE 17 2HG2 ILE 17 -13.708 5.724 -0.640 108 HG23 ILE 17 3HG2 ILE 17 -15.323 5.778 -1.347 109 HD11 ILE 17 1HD1 ILE 17 -11.788 2.625 -0.039 110 HD12 ILE 17 2HD1 ILE 17 -11.648 4.243 -0.728 111 HD13 ILE 17 3HD1 ILE 17 -12.949 3.876 0.404 112 HA PRO 18 HA PRO 18 -18.543 6.083 -3.930 113 HB2 PRO 18 1HB PRO 18 -19.758 6.865 -1.632 114 HB3 PRO 18 2HB PRO 18 -20.111 5.328 -2.431 115 HG2 PRO 18 1HG PRO 18 -18.330 5.881 -0.089 116 HG3 PRO 18 2HG PRO 18 -19.486 4.558 -0.327 117 HD2 PRO 18 1HD PRO 18 -16.821 4.248 -0.695 118 HD3 PRO 18 2HD PRO 18 -18.026 3.351 -1.641 119 H GLY 19 H GLY 19 -18.005 8.071 -4.564 120 HA2 GLY 19 1HA GLY 19 -17.661 10.382 -4.188 121 HA3 GLY 19 2HA GLY 19 -17.076 10.007 -2.574 122 H THR 20 H THR 20 -15.076 8.299 -2.884 123 HA THR 20 HA THR 20 -13.097 9.890 -4.323 124 HB THR 20 HB THR 20 -11.490 9.065 -2.911 125 HG1 THR 20 1HG THR 20 -12.952 6.767 -2.169 126 HG21 THR 20 1HG2 THR 20 -14.025 8.646 -1.322 127 HG22 THR 20 2HG2 THR 20 -13.145 10.163 -1.507 128 HG23 THR 20 3HG2 THR 20 -12.410 8.817 -0.636 129 HA PRO 21 HA PRO 21 -12.653 7.057 -7.658 130 HB2 PRO 21 1HB PRO 21 -10.065 7.530 -8.328 131 HB3 PRO 21 2HB PRO 21 -11.370 8.671 -8.673 132 HG2 PRO 21 1HG PRO 21 -9.384 8.685 -6.433 133 HG3 PRO 21 2HG PRO 21 -9.956 10.036 -7.429 134 HD2 PRO 21 1HD PRO 21 -10.897 9.566 -4.934 135 HD3 PRO 21 2HD PRO 21 -11.902 10.271 -6.216 136 H TRP 22 H TRP 22 -11.216 6.623 -4.692 137 HA TRP 22 HA TRP 22 -9.394 4.511 -5.310 138 HB2 TRP 22 1HB TRP 22 -10.658 5.465 -2.744 139 HB3 TRP 22 2HB TRP 22 -9.578 4.074 -2.800 140 HD1 TRP 22 HD TRP 22 -9.582 7.872 -2.994 141 HE1 TRP 22 1HE TRP 22 -7.152 8.717 -2.893 142 HE3 TRP 22 3HE TRP 22 -7.148 3.396 -3.417 143 HZ2 TRP 22 2HZ TRP 22 -4.549 7.630 -2.983 144 HZ3 TRP 22 3HZ TRP 22 -4.688 3.386 -3.402 145 HH2 TRP 22 HH TRP 22 -3.417 5.459 -3.190 146 H CYS 23 H CYS 23 -9.645 2.275 -4.666 147 HA CYS 23 HA CYS 23 -12.410 1.338 -4.442 148 HB2 CYS 23 1HB CYS 23 -10.471 0.108 -6.402 149 HB3 CYS 23 2HB CYS 23 -12.183 -0.251 -6.217 150 HG CYS 23 HG CYS 23 -10.797 2.570 -7.555 151 H VAL 24 H VAL 24 -12.509 0.096 -2.703 152 HA VAL 24 HA VAL 24 -10.254 -0.939 -1.365 153 HB VAL 24 HB VAL 24 -13.150 -1.751 -1.077 154 HG11 VAL 24 1HG1 VAL 24 -12.236 -3.400 0.150 155 HG12 VAL 24 2HG1 VAL 24 -10.684 -2.572 0.297 156 HG13 VAL 24 3HG1 VAL 24 -12.024 -2.131 1.356 157 HG21 VAL 24 1HG2 VAL 24 -12.271 -0.165 1.080 158 HG22 VAL 24 2HG2 VAL 24 -11.771 0.660 -0.396 159 HG23 VAL 24 3HG2 VAL 24 -13.467 0.243 -0.151 160 H VAL 25 H VAL 25 -9.040 -2.621 -1.893 161 HA VAL 25 HA VAL 25 -10.291 -4.866 -3.339 162 HB VAL 25 HB VAL 25 -7.452 -3.868 -3.616 163 HG11 VAL 25 1HG1 VAL 25 -6.998 -5.947 -4.276 164 HG12 VAL 25 2HG1 VAL 25 -8.703 -6.402 -4.255 165 HG13 VAL 25 3HG1 VAL 25 -8.013 -5.628 -5.683 166 HG21 VAL 25 1HG2 VAL 25 -8.418 -3.665 -6.076 167 HG22 VAL 25 2HG2 VAL 25 -9.933 -3.459 -5.198 168 HG23 VAL 25 3HG2 VAL 25 -8.585 -2.361 -4.900 169 H TRP 26 H TRP 26 -10.168 -6.791 -2.386 170 HA TRP 26 HA TRP 26 -8.557 -7.047 0.037 171 HB2 TRP 26 1HB TRP 26 -10.824 -8.672 -1.111 172 HB3 TRP 26 2HB TRP 26 -9.878 -9.218 0.271 173 HD1 TRP 26 HD TRP 26 -10.432 -8.179 2.605 174 HE1 TRP 26 1HE TRP 26 -12.227 -6.536 3.444 175 HE3 TRP 26 3HE TRP 26 -12.196 -6.532 -1.902 176 HZ2 TRP 26 2HZ TRP 26 -14.138 -4.776 2.342 177 HZ3 TRP 26 3HZ TRP 26 -14.009 -4.869 -1.922 178 HH2 TRP 26 HH TRP 26 -14.959 -4.010 0.157 179 H THR 27 H THR 27 -7.558 -9.251 0.421 180 HA THR 27 HA THR 27 -6.433 -10.367 -2.057 181 HB THR 27 HB THR 27 -4.245 -10.630 -0.789 182 HG1 THR 27 1HG THR 27 -4.607 -10.128 1.277 183 HG21 THR 27 1HG2 THR 27 -4.806 -8.874 -2.565 184 HG22 THR 27 2HG2 THR 27 -3.433 -8.543 -1.509 185 HG23 THR 27 3HG2 THR 27 -4.979 -7.747 -1.221 186 H GLY 28 H GLY 28 -5.159 -12.455 -1.507 187 HA2 GLY 28 1HA GLY 28 -7.008 -14.241 -0.252 188 HA3 GLY 28 2HA GLY 28 -5.446 -14.670 -0.934 189 H ASP 29 H ASP 29 -4.242 -12.501 0.842 190 HA ASP 29 HA ASP 29 -3.838 -14.252 3.134 191 HB2 ASP 29 1HB ASP 29 -2.025 -12.926 1.734 192 HB3 ASP 29 2HB ASP 29 -2.439 -11.627 2.850 193 H GLU 30 H GLU 30 -6.351 -13.332 3.256 194 HA GLU 30 HA GLU 30 -7.846 -11.944 4.340 195 HB2 GLU 30 1HB GLU 30 -5.872 -12.550 6.549 196 HB3 GLU 30 2HB GLU 30 -7.544 -12.054 6.771 197 HG2 GLU 30 1HG GLU 30 -8.202 -14.125 5.494 198 HG3 GLU 30 2HG GLU 30 -6.520 -14.635 5.629 199 H ARG 31 H ARG 31 -6.153 -10.325 2.915 200 HA ARG 31 HA ARG 31 -5.877 -8.028 4.728 201 HB2 ARG 31 1HB ARG 31 -3.845 -9.203 2.901 202 HB3 ARG 31 2HB ARG 31 -3.923 -7.449 3.001 203 HG2 ARG 31 1HG ARG 31 -3.834 -9.014 5.527 204 HG3 ARG 31 2HG ARG 31 -2.356 -8.839 4.580 205 HD2 ARG 31 1HD ARG 31 -2.371 -6.501 4.786 206 HD3 ARG 31 2HD ARG 31 -4.055 -6.475 5.308 207 HE ARG 31 HE ARG 31 -1.730 -6.968 6.946 208 HH11 ARG 31 2HH1 ARG 31 -5.183 -7.290 6.641 209 HH12 ARG 31 1HH1 ARG 31 -5.453 -7.417 8.348 210 HH21 ARG 31 2HH2 ARG 31 -2.073 -7.134 9.195 211 HH22 ARG 31 1HH2 ARG 31 -3.683 -7.327 9.800 212 H VAL 32 H VAL 32 -5.788 -5.932 3.516 213 HA VAL 32 HA VAL 32 -7.041 -5.975 0.886 214 HB VAL 32 HB VAL 32 -8.971 -5.992 2.352 215 HG11 VAL 32 1HG1 VAL 32 -8.821 -5.104 4.383 216 HG12 VAL 32 2HG1 VAL 32 -7.332 -4.259 3.954 217 HG13 VAL 32 3HG1 VAL 32 -8.897 -3.506 3.642 218 HG21 VAL 32 1HG2 VAL 32 -9.650 -4.749 0.592 219 HG22 VAL 32 2HG2 VAL 32 -9.697 -3.461 1.796 220 HG23 VAL 32 3HG2 VAL 32 -8.301 -3.620 0.730 221 H PHE 33 H PHE 33 -6.488 -4.260 -0.357 222 HA PHE 33 HA PHE 33 -5.031 -2.055 0.945 223 HB2 PHE 33 1HB PHE 33 -3.536 -1.972 -1.015 224 HB3 PHE 33 2HB PHE 33 -3.434 -3.519 -0.181 225 HD1 PHE 33 1HD PHE 33 -4.645 -5.497 -1.147 226 HD2 PHE 33 2HD PHE 33 -4.134 -1.847 -3.276 227 HE1 PHE 33 1HE PHE 33 -5.120 -6.666 -3.258 228 HE2 PHE 33 2HE PHE 33 -4.610 -3.010 -5.391 229 HZ PHE 33 HZ PHE 33 -5.104 -5.423 -5.384 230 H PHE 34 H PHE 34 -4.824 -0.127 -0.591 231 HA PHE 34 HA PHE 34 -7.465 0.342 -1.785 232 HB2 PHE 34 1HB PHE 34 -5.395 2.403 -1.008 233 HB3 PHE 34 2HB PHE 34 -7.077 2.694 -1.437 234 HD1 PHE 34 2HD PHE 34 -4.792 1.528 1.163 235 HD2 PHE 34 1HD PHE 34 -8.859 2.242 0.130 236 HE1 PHE 34 2HE PHE 34 -5.422 1.351 3.534 237 HE2 PHE 34 1HE PHE 34 -9.495 2.067 2.501 238 HZ PHE 34 HZ PHE 34 -7.776 1.620 4.206 239 H TYR 35 H TYR 35 -7.685 0.623 -3.909 240 HA TYR 35 HA TYR 35 -5.254 1.092 -5.508 241 HB2 TYR 35 1HB TYR 35 -5.913 -1.133 -5.977 242 HB3 TYR 35 2HB TYR 35 -7.617 -0.699 -6.046 243 HD1 TYR 35 1HD TYR 35 -4.472 0.427 -7.741 244 HD2 TYR 35 2HD TYR 35 -8.525 -0.801 -8.155 245 HE1 TYR 35 1HE TYR 35 -4.298 0.694 -10.180 246 HE2 TYR 35 2HE TYR 35 -8.361 -0.539 -10.595 247 HH TYR 35 HH TYR 35 -7.063 0.006 -12.305 248 H ASN 36 H ASN 36 -5.480 2.348 -7.409 249 HA ASN 36 HA ASN 36 -7.965 3.908 -7.600 250 HB2 ASN 36 1HB ASN 36 -6.147 5.164 -6.386 251 HB3 ASN 36 2HB ASN 36 -5.203 5.104 -7.871 252 HD21 ASN 36 1HD2 ASN 36 -6.842 7.159 -6.146 253 HD22 ASN 36 2HD2 ASN 36 -7.599 8.123 -7.363 254 HA PRO 37 HA PRO 37 -7.172 2.278 -11.763 255 HB2 PRO 37 1HB PRO 37 -9.756 2.499 -12.564 256 HB3 PRO 37 2HB PRO 37 -9.160 1.136 -11.609 257 HG2 PRO 37 1HG PRO 37 -10.642 3.575 -10.707 258 HG3 PRO 37 2HG PRO 37 -10.869 1.884 -10.222 259 HD2 PRO 37 1HD PRO 37 -9.514 3.667 -8.700 260 HD3 PRO 37 2HD PRO 37 -9.104 1.941 -8.742 261 H THR 38 H THR 38 -7.986 5.299 -10.565 262 HA THR 38 HA THR 38 -8.295 6.522 -13.206 263 HB THR 38 HB THR 38 -8.494 7.795 -10.469 264 HG1 THR 38 1HG THR 38 -10.683 7.590 -10.729 265 HG21 THR 38 1HG2 THR 38 -9.868 9.263 -12.457 266 HG22 THR 38 2HG2 THR 38 -8.254 8.928 -13.084 267 HG23 THR 38 3HG2 THR 38 -8.446 9.750 -11.535 268 H THR 39 H THR 39 -6.081 6.331 -10.501 269 HA THR 39 HA THR 39 -4.156 7.962 -12.027 270 HB THR 39 HB THR 39 -3.112 8.597 -9.887 271 HG1 THR 39 1HG THR 39 -3.814 7.801 -8.027 272 HG21 THR 39 1HG2 THR 39 -5.849 9.421 -9.294 273 HG22 THR 39 2HG2 THR 39 -5.416 9.621 -10.992 274 HG23 THR 39 3HG2 THR 39 -4.447 10.393 -9.737 275 H ARG 40 H ARG 40 -4.807 4.932 -11.612 276 HA ARG 40 HA ARG 40 -3.672 2.962 -11.361 277 HB2 ARG 40 1HB ARG 40 -1.549 4.697 -12.631 278 HB3 ARG 40 2HB ARG 40 -1.447 2.947 -12.498 279 HG2 ARG 40 1HG ARG 40 -3.496 2.748 -13.847 280 HG3 ARG 40 2HG ARG 40 -3.523 4.504 -14.024 281 HD2 ARG 40 1HD ARG 40 -1.394 4.456 -15.171 282 HD3 ARG 40 2HD ARG 40 -1.260 2.718 -14.907 283 HE ARG 40 HE ARG 40 -3.613 3.049 -16.267 284 HH11 ARG 40 2HH1 ARG 40 -0.277 3.871 -16.826 285 HH12 ARG 40 1HH1 ARG 40 -0.401 3.754 -18.550 286 HH21 ARG 40 2HH2 ARG 40 -3.790 2.892 -18.536 287 HH22 ARG 40 1HH2 ARG 40 -2.400 3.198 -19.522 288 H LEU 41 H LEU 41 -3.676 4.535 -9.009 289 HA LEU 41 HA LEU 41 -1.000 4.037 -7.894 290 HB2 LEU 41 1HB LEU 41 -2.256 6.341 -7.811 291 HB3 LEU 41 2HB LEU 41 -3.091 5.596 -6.450 292 HG LEU 41 HG LEU 41 -1.279 6.958 -5.640 293 HD11 LEU 41 1HD1 LEU 41 -1.806 4.679 -4.623 294 HD12 LEU 41 2HD1 LEU 41 -0.262 5.418 -4.201 295 HD13 LEU 41 3HD1 LEU 41 -0.322 4.124 -5.398 296 HD21 LEU 41 1HD2 LEU 41 0.045 6.759 -7.794 297 HD22 LEU 41 2HD2 LEU 41 0.651 5.228 -7.163 298 HD23 LEU 41 3HD2 LEU 41 0.972 6.729 -6.294 299 H SER 42 H SER 42 -0.724 2.472 -6.441 300 HA SER 42 HA SER 42 -3.046 1.467 -4.957 301 HB2 SER 42 1HB SER 42 -2.441 -0.846 -5.409 302 HB3 SER 42 2HB SER 42 -2.691 0.002 -6.934 303 HG SER 42 HG SER 42 -0.807 -1.122 -7.149 304 H MET 43 H MET 43 -2.535 1.842 -2.903 305 HA MET 43 HA MET 43 0.225 1.319 -2.022 306 HB2 MET 43 1HB MET 43 -1.710 2.910 -0.388 307 HB3 MET 43 2HB MET 43 0.045 3.009 -0.447 308 HG2 MET 43 1HG MET 43 -0.435 3.805 -2.915 309 HG3 MET 43 2HG MET 43 -1.990 4.247 -2.213 310 HE1 MET 43 1HE MET 43 -0.527 4.491 0.768 311 HE2 MET 43 2HE MET 43 -0.222 6.218 0.957 312 HE3 MET 43 3HE MET 43 -1.809 5.655 0.433 313 H TRP 44 H TRP 44 0.409 0.576 0.276 314 HA TRP 44 HA TRP 44 -1.509 -1.584 0.714 315 HB2 TRP 44 1HB TRP 44 1.316 -1.070 1.516 316 HB3 TRP 44 2HB TRP 44 0.335 -2.086 2.569 317 HD1 TRP 44 HD TRP 44 2.571 -2.353 -0.298 318 HE1 TRP 44 1HE TRP 44 2.292 -4.615 -1.493 319 HE3 TRP 44 3HE TRP 44 -1.829 -3.857 1.827 320 HZ2 TRP 44 2HZ TRP 44 0.451 -6.754 -1.530 321 HZ3 TRP 44 3HZ TRP 44 -2.782 -6.024 1.157 322 HH2 TRP 44 HH TRP 44 -1.665 -7.441 -0.488 323 H ASP 45 H ASP 45 -0.997 1.537 1.761 324 HA ASP 45 HA ASP 45 -2.416 1.006 4.289 325 HB2 ASP 45 1HB ASP 45 -0.020 1.857 4.492 326 HB3 ASP 45 2HB ASP 45 -0.608 3.373 3.816 327 H ARG 46 H ARG 46 -3.568 3.079 5.071 328 HA ARG 46 HA ARG 46 -5.376 3.860 2.972 329 HB2 ARG 46 1HB ARG 46 -5.882 3.368 5.488 330 HB3 ARG 46 2HB ARG 46 -5.410 5.046 5.725 331 HG2 ARG 46 1HG ARG 46 -7.409 4.448 3.614 332 HG3 ARG 46 2HG ARG 46 -7.917 4.345 5.301 333 HD2 ARG 46 1HD ARG 46 -6.661 6.682 5.418 334 HD3 ARG 46 2HD ARG 46 -7.072 6.701 3.704 335 HE ARG 46 HE ARG 46 -9.269 7.025 4.268 336 HH11 ARG 46 2HH1 ARG 46 -7.502 5.988 7.083 337 HH12 ARG 46 1HH1 ARG 46 -8.816 6.275 8.174 338 HH21 ARG 46 2HH2 ARG 46 -11.006 7.407 5.695 339 HH22 ARG 46 1HH2 ARG 46 -10.809 7.081 7.384 340 HA PRO 47 HA PRO 47 -2.888 7.456 1.986 341 HB2 PRO 47 1HB PRO 47 -4.403 8.222 -0.132 342 HB3 PRO 47 2HB PRO 47 -3.221 6.911 -0.221 343 HG2 PRO 47 1HG PRO 47 -6.190 6.763 0.127 344 HG3 PRO 47 2HG PRO 47 -5.134 5.778 -0.901 345 HD2 PRO 47 1HD PRO 47 -6.060 4.909 1.490 346 HD3 PRO 47 2HD PRO 47 -4.476 4.430 0.849 347 H ASP 48 H ASP 48 -3.265 9.762 1.869 348 HA ASP 48 HA ASP 48 -5.037 10.705 3.838 349 HB2 ASP 48 1HB ASP 48 -4.464 12.986 2.627 350 HB3 ASP 48 2HB ASP 48 -3.249 12.128 3.571 351 H ASP 49 H ASP 49 -5.177 10.914 0.293 352 HA ASP 49 HA ASP 49 -7.356 12.432 -0.165 353 HB2 ASP 49 1HB ASP 49 -6.516 9.851 -1.464 354 HB3 ASP 49 2HB ASP 49 -7.923 10.745 -2.035 355 H LEU 50 H LEU 50 -7.327 9.368 1.440 356 HA LEU 50 HA LEU 50 -10.260 9.253 1.414 357 HB2 LEU 50 1HB LEU 50 -8.149 7.224 2.091 358 HB3 LEU 50 2HB LEU 50 -9.854 6.977 2.462 359 HG LEU 50 HG LEU 50 -8.701 7.352 -0.302 360 HD11 LEU 50 1HD1 LEU 50 -9.094 5.004 1.397 361 HD12 LEU 50 2HD1 LEU 50 -8.092 5.216 -0.037 362 HD13 LEU 50 3HD1 LEU 50 -9.811 4.865 -0.208 363 HD21 LEU 50 1HD2 LEU 50 -11.318 6.187 -0.186 364 HD22 LEU 50 2HD2 LEU 50 -10.778 7.639 -1.029 365 HD23 LEU 50 3HD2 LEU 50 -11.314 7.740 0.649 366 H ILE 51 H ILE 51 -7.487 9.632 3.502 367 HA ILE 51 HA ILE 51 -8.431 9.158 6.005 368 HB ILE 51 HB ILE 51 -6.703 11.427 5.040 369 HG12 ILE 51 1HG1 ILE 51 -6.096 8.903 6.596 370 HG13 ILE 51 2HG1 ILE 51 -5.793 9.141 4.879 371 HG21 ILE 51 1HG2 ILE 51 -7.093 12.475 6.967 372 HG22 ILE 51 2HG2 ILE 51 -7.973 11.098 7.627 373 HG23 ILE 51 3HG2 ILE 51 -6.215 11.159 7.745 374 HD11 ILE 51 1HD1 ILE 51 -4.410 11.201 5.777 375 HD12 ILE 51 2HD1 ILE 51 -4.340 10.202 7.230 376 HD13 ILE 51 3HD1 ILE 51 -3.726 9.578 5.699 377 H GLY 52 H GLY 52 -10.374 9.630 6.807 378 HA2 GLY 52 1HA GLY 52 -11.502 11.574 7.929 379 HA3 GLY 52 2HA GLY 52 -11.433 12.352 6.354 380 H ARG 53 H ARG 53 -12.086 9.988 4.840 381 HA ARG 53 HA ARG 53 -14.943 10.133 5.068 382 HB2 ARG 53 1HB ARG 53 -13.126 8.550 3.248 383 HB3 ARG 53 2HB ARG 53 -14.881 8.512 3.140 384 HG2 ARG 53 1HG ARG 53 -14.478 10.108 1.590 385 HG3 ARG 53 2HG ARG 53 -14.539 11.144 3.018 386 HD2 ARG 53 1HD ARG 53 -12.071 10.944 3.200 387 HD3 ARG 53 2HD ARG 53 -12.070 10.036 1.689 388 HE ARG 53 HE ARG 53 -12.461 11.995 0.530 389 HH11 ARG 53 2HH1 ARG 53 -12.736 12.541 3.958 390 HH12 ARG 53 1HH1 ARG 53 -12.753 14.267 3.814 391 HH21 ARG 53 2HH2 ARG 53 -12.481 14.267 0.328 392 HH22 ARG 53 1HH2 ARG 53 -12.608 15.248 1.748 393 H ALA 54 H ALA 54 -16.365 8.577 5.733 394 HA ALA 54 HA ALA 54 -15.261 6.481 7.422 395 HB1 ALA 54 1HB ALA 54 -18.149 6.531 7.263 396 HB2 ALA 54 2HB ALA 54 -17.091 6.763 8.656 397 HB3 ALA 54 3HB ALA 54 -17.487 8.128 7.612 398 H ASP 55 H ASP 55 -17.127 6.834 4.467 399 HA ASP 55 HA ASP 55 -18.106 4.298 4.083 400 HB2 ASP 55 1HB ASP 55 -16.824 5.914 1.879 401 HB3 ASP 55 2HB ASP 55 -18.152 4.766 1.741 402 H VAL 56 H VAL 56 -14.852 5.484 3.298 403 HA VAL 56 HA VAL 56 -13.812 3.225 2.090 404 HB VAL 56 HB VAL 56 -12.524 5.243 2.116 405 HG11 VAL 56 1HG1 VAL 56 -11.722 6.340 4.024 406 HG12 VAL 56 2HG1 VAL 56 -13.380 5.898 4.436 407 HG13 VAL 56 3HG1 VAL 56 -12.032 4.949 5.063 408 HG21 VAL 56 1HG2 VAL 56 -11.161 3.313 1.901 409 HG22 VAL 56 2HG2 VAL 56 -10.330 4.391 3.022 410 HG23 VAL 56 3HG2 VAL 56 -11.217 2.995 3.635 411 H ASP 57 H ASP 57 -13.875 4.028 5.552 412 HA ASP 57 HA ASP 57 -12.551 1.695 6.426 413 HB2 ASP 57 1HB ASP 57 -14.246 3.782 7.730 414 HB3 ASP 57 2HB ASP 57 -13.900 2.301 8.618 415 H LYS 58 H LYS 58 -16.020 2.513 6.620 416 HA LYS 58 HA LYS 58 -17.082 0.218 7.559 417 HB2 LYS 58 1HB LYS 58 -18.434 2.160 6.942 418 HB3 LYS 58 2HB LYS 58 -18.159 1.828 5.237 419 HG2 LYS 58 1HG LYS 58 -19.397 -0.237 5.396 420 HG3 LYS 58 2HG LYS 58 -19.594 -0.016 7.137 421 HD2 LYS 58 1HD LYS 58 -20.915 1.984 6.761 422 HD3 LYS 58 2HD LYS 58 -20.657 1.854 5.019 423 HE2 LYS 58 1HE LYS 58 -21.968 -0.101 4.871 424 HE3 LYS 58 2HE LYS 58 -21.956 -0.335 6.619 425 HZ1 LYS 58 1HZ LYS 58 -24.076 0.541 5.798 426 HZ2 LYS 58 2HZ LYS 58 -23.288 1.920 5.218 427 HZ3 LYS 58 3HZ LYS 58 -23.331 1.609 6.880 428 H ILE 59 H ILE 59 -16.492 0.794 4.088 429 HA ILE 59 HA ILE 59 -17.224 -1.633 3.063 430 HB ILE 59 HB ILE 59 -14.870 0.065 2.231 431 HG12 ILE 59 1HG1 ILE 59 -17.662 -0.134 1.082 432 HG13 ILE 59 2HG1 ILE 59 -17.119 1.142 2.167 433 HG21 ILE 59 1HG2 ILE 59 -15.467 -2.545 1.430 434 HG22 ILE 59 2HG2 ILE 59 -16.030 -1.507 0.121 435 HG23 ILE 59 3HG2 ILE 59 -14.353 -1.416 0.658 436 HD11 ILE 59 1HD1 ILE 59 -15.379 0.824 -0.131 437 HD12 ILE 59 2HD1 ILE 59 -17.044 1.197 -0.577 438 HD13 ILE 59 3HD1 ILE 59 -16.161 2.268 0.512 439 H ILE 60 H ILE 60 -13.926 -0.796 4.140 440 HA ILE 60 HA ILE 60 -12.813 -3.336 3.817 441 HB ILE 60 HB ILE 60 -12.066 -1.148 5.757 442 HG12 ILE 60 1HG1 ILE 60 -10.541 -1.925 3.294 443 HG13 ILE 60 2HG1 ILE 60 -11.958 -0.889 3.153 444 HG21 ILE 60 1HG2 ILE 60 -9.966 -2.272 6.086 445 HG22 ILE 60 2HG2 ILE 60 -11.276 -3.381 6.489 446 HG23 ILE 60 3HG2 ILE 60 -10.424 -3.544 4.953 447 HD11 ILE 60 1HD1 ILE 60 -10.790 0.880 3.778 448 HD12 ILE 60 2HD1 ILE 60 -10.224 0.061 5.234 449 HD13 ILE 60 3HD1 ILE 60 -9.341 -0.124 3.719 450 H GLN 61 H GLN 61 -14.576 -1.923 6.518 451 HA GLN 61 HA GLN 61 -14.047 -3.956 8.401 452 HB2 GLN 61 1HB GLN 61 -16.391 -2.062 8.179 453 HB3 GLN 61 2HB GLN 61 -16.056 -3.074 9.578 454 HG2 GLN 61 1HG GLN 61 -13.719 -1.867 9.466 455 HG3 GLN 61 2HG GLN 61 -14.657 -0.640 8.615 456 HE21 GLN 61 1HE2 GLN 61 -15.031 0.949 9.985 457 HE22 GLN 61 2HE2 GLN 61 -15.610 0.778 11.604 458 H GLU 62 H GLU 62 -16.739 -3.473 6.136 459 HA GLU 62 HA GLU 62 -17.524 -6.273 6.612 460 HB2 GLU 62 1HB GLU 62 -19.155 -3.817 6.075 461 HB3 GLU 62 2HB GLU 62 -19.773 -5.395 5.607 462 HG2 GLU 62 1HG GLU 62 -19.766 -6.161 7.850 463 HG3 GLU 62 2HG GLU 62 -18.852 -4.755 8.394 464 HA PRO 63 HA PRO 63 -15.989 -6.171 2.293 465 HB2 PRO 63 1HB PRO 63 -15.094 -8.734 2.334 466 HB3 PRO 63 2HB PRO 63 -14.141 -7.374 2.940 467 HG2 PRO 63 1HG PRO 63 -15.798 -9.351 4.459 468 HG3 PRO 63 2HG PRO 63 -14.187 -8.714 4.840 469 HD2 PRO 63 1HD PRO 63 -16.437 -7.792 6.031 470 HD3 PRO 63 2HD PRO 63 -15.030 -6.756 5.715 471 HA PRO 64 HA PRO 64 -19.637 -8.035 0.624 472 HB2 PRO 64 1HB PRO 64 -18.870 -8.112 -1.979 473 HB3 PRO 64 2HB PRO 64 -19.351 -6.620 -1.163 474 HG2 PRO 64 1HG PRO 64 -16.605 -7.672 -1.725 475 HG3 PRO 64 2HG PRO 64 -17.225 -6.019 -1.889 476 HD2 PRO 64 1HD PRO 64 -15.743 -6.816 0.233 477 HD3 PRO 64 2HD PRO 64 -17.013 -5.582 0.364 478 H HIS 65 H HIS 65 -16.581 -9.278 -0.748 479 HA HIS 65 HA HIS 65 -17.475 -11.745 -1.598 480 HB2 HIS 65 1HB HIS 65 -15.218 -12.423 -1.690 481 HB3 HIS 65 2HB HIS 65 -15.169 -10.676 -1.909 482 HD1 HIS 65 1HD HIS 65 -14.438 -9.272 0.251 483 HD2 HIS 65 2HD HIS 65 -13.758 -13.367 0.421 484 HE1 HIS 65 1HE HIS 65 -12.801 -9.604 2.131 485 H LYS 66 H LYS 66 -16.338 -10.806 1.619 486 HA LYS 66 HA LYS 66 -16.471 -13.393 2.759 487 HB2 LYS 66 1HB LYS 66 -15.399 -11.098 3.593 488 HB3 LYS 66 2HB LYS 66 -16.925 -10.993 4.462 489 HG2 LYS 66 1HG LYS 66 -15.079 -13.363 4.617 490 HG3 LYS 66 2HG LYS 66 -15.040 -12.007 5.747 491 HD2 LYS 66 1HD LYS 66 -16.442 -13.369 6.907 492 HD3 LYS 66 2HD LYS 66 -17.642 -12.576 5.884 493 HE2 LYS 66 1HE LYS 66 -18.172 -14.823 5.658 494 HE3 LYS 66 2HE LYS 66 -17.176 -14.511 4.238 495 HZ1 LYS 66 1HZ LYS 66 -15.958 -15.519 6.726 496 HZ2 LYS 66 2HZ LYS 66 -15.392 -15.647 5.137 497 HZ3 LYS 66 3HZ LYS 66 -16.703 -16.587 5.646 498 H LYS 67 H LYS 67 -18.596 -10.613 3.451 499 HA LYS 67 HA LYS 67 -20.589 -11.700 4.843 500 HB2 LYS 67 1HB LYS 67 -20.598 -9.373 4.035 501 HB3 LYS 67 2HB LYS 67 -21.029 -9.936 2.425 502 HG2 LYS 67 1HG LYS 67 -23.041 -11.036 3.737 503 HG3 LYS 67 2HG LYS 67 -22.687 -9.736 4.877 504 HD2 LYS 67 1HD LYS 67 -22.791 -8.149 2.919 505 HD3 LYS 67 2HD LYS 67 -23.420 -9.494 1.965 506 HE2 LYS 67 1HE LYS 67 -25.309 -9.712 3.474 507 HE3 LYS 67 2HE LYS 67 -24.661 -8.434 4.502 508 HZ1 LYS 67 1HZ LYS 67 -26.385 -8.129 2.385 509 HZ2 LYS 67 2HZ LYS 67 -24.900 -7.562 1.808 510 HZ3 LYS 67 3HZ LYS 67 -25.571 -6.897 3.211 511 H SER 68 H SER 68 -21.962 -13.346 4.696 512 HA SER 68 HA SER 68 -22.036 -14.954 2.313 513 HB2 SER 68 1HB SER 68 -22.158 -15.679 4.844 514 HB3 SER 68 2HB SER 68 -23.888 -15.414 4.621 515 HG SER 68 HG SER 68 -23.829 -16.907 2.907 516 H GLY 69 H GLY 69 -24.151 -15.739 1.429 517 HA2 GLY 69 1HA GLY 69 -26.601 -15.090 1.380 518 HA3 GLY 69 2HA GLY 69 -26.000 -13.451 1.180 519 HA PRO 70 HA PRO 70 -24.856 -15.811 -2.888 520 HB2 PRO 70 1HB PRO 70 -25.931 -18.286 -3.194 521 HB3 PRO 70 2HB PRO 70 -24.352 -18.009 -2.449 522 HG2 PRO 70 1HG PRO 70 -27.002 -18.494 -1.145 523 HG3 PRO 70 2HG PRO 70 -25.413 -19.163 -0.732 524 HD2 PRO 70 1HD PRO 70 -26.523 -17.101 0.627 525 HD3 PRO 70 2HD PRO 70 -24.769 -17.265 0.405 526 H SER 71 H SER 71 -26.000 -14.974 -4.509 527 HA SER 71 HA SER 71 -28.932 -15.084 -4.372 528 HB2 SER 71 1HB SER 71 -28.853 -13.184 -5.989 529 HB3 SER 71 2HB SER 71 -28.051 -12.827 -4.460 530 HG SER 71 HG SER 71 -26.480 -12.267 -5.759 531 H SER 72 H SER 72 -27.584 -17.380 -5.235 532 HA SER 72 HA SER 72 -27.136 -17.684 -7.938 533 HB2 SER 72 1HB SER 72 -27.804 -20.076 -7.601 534 HB3 SER 72 2HB SER 72 -26.655 -19.483 -6.401 535 HG SER 72 HG SER 72 -28.791 -18.976 -5.224 536 H GLY 73 H GLY 73 -30.157 -17.334 -6.244 537 HA2 GLY 73 1HA GLY 73 -32.320 -17.131 -6.986 538 HA3 GLY 73 2HA GLY 73 -31.618 -16.623 -8.515 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.514 2.783 -19.576 2 HA2 GLY 1 1HA GLY 1 8.938 1.417 -17.641 3 HA3 GLY 1 2HA GLY 1 7.463 2.312 -17.304 4 H SER 2 H SER 2 5.984 1.070 -16.389 5 HA SER 2 HA SER 2 4.634 -0.697 -15.909 6 HB2 SER 2 1HB SER 2 5.307 -1.196 -18.787 7 HB3 SER 2 2HB SER 2 4.417 -2.420 -17.880 8 HG SER 2 HG SER 2 2.786 -1.212 -18.494 9 H SER 3 H SER 3 7.185 -0.832 -14.894 10 HA SER 3 HA SER 3 8.097 -3.580 -15.323 11 HB2 SER 3 1HB SER 3 10.085 -2.929 -14.056 12 HB3 SER 3 2HB SER 3 9.788 -1.775 -15.356 13 HG SER 3 HG SER 3 8.652 -1.243 -12.865 14 H GLY 4 H GLY 4 8.404 -5.033 -13.575 15 HA2 GLY 4 1HA GLY 4 7.393 -4.370 -10.954 16 HA3 GLY 4 2HA GLY 4 6.339 -5.440 -11.866 17 H SER 5 H SER 5 6.599 -7.197 -10.514 18 HA SER 5 HA SER 5 9.163 -8.579 -10.797 19 HB2 SER 5 1HB SER 5 9.316 -9.125 -8.466 20 HB3 SER 5 2HB SER 5 9.099 -7.379 -8.576 21 HG SER 5 HG SER 5 7.513 -7.744 -7.242 22 H SER 6 H SER 6 9.036 -10.854 -10.612 23 HA SER 6 HA SER 6 6.480 -11.917 -11.425 24 HB2 SER 6 1HB SER 6 9.199 -13.188 -11.061 25 HB3 SER 6 2HB SER 6 7.774 -14.079 -11.593 26 HG SER 6 HG SER 6 8.226 -13.381 -13.511 27 H GLY 7 H GLY 7 5.034 -12.915 -10.177 28 HA2 GLY 7 1HA GLY 7 4.642 -14.598 -8.427 29 HA3 GLY 7 2HA GLY 7 5.904 -13.804 -7.496 30 H LYS 8 H LYS 8 3.107 -12.512 -9.276 31 HA LYS 8 HA LYS 8 2.480 -10.747 -7.088 32 HB2 LYS 8 1HB LYS 8 1.345 -11.221 -9.823 33 HB3 LYS 8 2HB LYS 8 0.443 -10.270 -8.650 34 HG2 LYS 8 1HG LYS 8 2.624 -8.913 -8.412 35 HG3 LYS 8 2HG LYS 8 3.073 -9.671 -9.942 36 HD2 LYS 8 1HD LYS 8 1.262 -8.687 -11.080 37 HD3 LYS 8 2HD LYS 8 0.449 -8.250 -9.576 38 HE2 LYS 8 1HE LYS 8 3.110 -7.115 -10.410 39 HE3 LYS 8 2HE LYS 8 1.569 -6.357 -10.810 40 HZ1 LYS 8 1HZ LYS 8 1.160 -5.827 -8.626 41 HZ2 LYS 8 2HZ LYS 8 2.839 -5.633 -8.695 42 HZ3 LYS 8 3HZ LYS 8 2.176 -7.032 -8.012 43 H ALA 9 H ALA 9 0.147 -10.582 -6.350 44 HA ALA 9 HA ALA 9 -0.999 -13.270 -5.970 45 HB1 ALA 9 1HB ALA 9 0.216 -12.291 -3.960 46 HB2 ALA 9 2HB ALA 9 -1.105 -11.125 -3.869 47 HB3 ALA 9 3HB ALA 9 -1.437 -12.849 -3.701 48 H LYS 10 H LYS 10 -2.452 -12.843 -7.699 49 HA LYS 10 HA LYS 10 -4.051 -10.734 -8.213 50 HB2 LYS 10 1HB LYS 10 -4.476 -12.441 -9.673 51 HB3 LYS 10 2HB LYS 10 -4.455 -13.668 -8.414 52 HG2 LYS 10 1HG LYS 10 -6.668 -13.425 -7.943 53 HG3 LYS 10 2HG LYS 10 -6.696 -11.724 -8.412 54 HD2 LYS 10 1HD LYS 10 -7.875 -12.683 -10.141 55 HD3 LYS 10 2HD LYS 10 -6.239 -12.684 -10.804 56 HE2 LYS 10 1HE LYS 10 -5.951 -15.004 -10.158 57 HE3 LYS 10 2HE LYS 10 -7.539 -15.012 -9.392 58 HZ1 LYS 10 1HZ LYS 10 -6.866 -15.433 -12.115 59 HZ2 LYS 10 2HZ LYS 10 -7.958 -14.150 -11.975 60 HZ3 LYS 10 3HZ LYS 10 -8.348 -15.666 -11.334 61 HA PRO 11 HA PRO 11 -6.480 -9.927 -4.622 62 HB2 PRO 11 1HB PRO 11 -8.428 -8.439 -5.789 63 HB3 PRO 11 2HB PRO 11 -6.795 -7.827 -5.501 64 HG2 PRO 11 1HG PRO 11 -7.993 -8.917 -8.018 65 HG3 PRO 11 2HG PRO 11 -6.952 -7.499 -7.797 66 HD2 PRO 11 1HD PRO 11 -6.008 -9.873 -8.693 67 HD3 PRO 11 2HD PRO 11 -5.029 -8.767 -7.708 68 H VAL 12 H VAL 12 -8.500 -10.438 -3.670 69 HA VAL 12 HA VAL 12 -9.847 -12.682 -4.962 70 HB VAL 12 HB VAL 12 -10.914 -13.044 -2.764 71 HG11 VAL 12 1HG1 VAL 12 -8.852 -14.194 -3.233 72 HG12 VAL 12 2HG1 VAL 12 -7.910 -12.786 -2.739 73 HG13 VAL 12 3HG1 VAL 12 -8.850 -13.681 -1.546 74 HG21 VAL 12 1HG2 VAL 12 -11.021 -10.776 -1.955 75 HG22 VAL 12 2HG2 VAL 12 -10.087 -11.750 -0.819 76 HG23 VAL 12 3HG2 VAL 12 -9.261 -10.662 -1.934 77 H ALA 13 H ALA 13 -10.493 -9.439 -3.775 78 HA ALA 13 HA ALA 13 -12.921 -9.341 -5.354 79 HB1 ALA 13 1HB ALA 13 -12.958 -9.083 -2.357 80 HB2 ALA 13 2HB ALA 13 -14.240 -8.454 -3.393 81 HB3 ALA 13 3HB ALA 13 -13.895 -10.183 -3.369 82 H THR 14 H THR 14 -13.708 -7.193 -5.678 83 HA THR 14 HA THR 14 -12.035 -5.012 -4.685 84 HB THR 14 HB THR 14 -12.599 -5.329 -7.637 85 HG1 THR 14 1HG THR 14 -10.468 -6.184 -6.037 86 HG21 THR 14 1HG2 THR 14 -11.884 -3.228 -7.837 87 HG22 THR 14 2HG2 THR 14 -10.407 -3.609 -6.950 88 HG23 THR 14 3HG2 THR 14 -11.855 -3.107 -6.078 89 H ALA 15 H ALA 15 -13.145 -3.172 -4.317 90 HA ALA 15 HA ALA 15 -15.752 -2.781 -5.578 91 HB1 ALA 15 1HB ALA 15 -15.310 -2.977 -2.610 92 HB2 ALA 15 2HB ALA 15 -16.720 -2.189 -3.319 93 HB3 ALA 15 3HB ALA 15 -16.428 -3.904 -3.612 94 HA PRO 16 HA PRO 16 -14.048 1.309 -5.803 95 HB2 PRO 16 1HB PRO 16 -16.243 2.506 -6.861 96 HB3 PRO 16 2HB PRO 16 -15.156 1.484 -7.808 97 HG2 PRO 16 1HG PRO 16 -17.790 0.801 -6.562 98 HG3 PRO 16 2HG PRO 16 -17.168 0.376 -8.168 99 HD2 PRO 16 1HD PRO 16 -17.145 -1.360 -6.090 100 HD3 PRO 16 2HD PRO 16 -15.897 -1.365 -7.353 101 H ILE 17 H ILE 17 -13.853 2.711 -4.182 102 HA ILE 17 HA ILE 17 -15.768 2.840 -2.061 103 HB ILE 17 HB ILE 17 -13.328 4.541 -2.585 104 HG12 ILE 17 1HG1 ILE 17 -13.813 2.020 -1.018 105 HG13 ILE 17 2HG1 ILE 17 -12.565 2.347 -2.216 106 HG21 ILE 17 1HG2 ILE 17 -15.181 5.499 -1.099 107 HG22 ILE 17 2HG2 ILE 17 -14.727 4.242 0.050 108 HG23 ILE 17 3HG2 ILE 17 -13.544 5.453 -0.444 109 HD11 ILE 17 1HD1 ILE 17 -11.432 3.821 -0.673 110 HD12 ILE 17 2HD1 ILE 17 -12.712 3.591 0.519 111 HD13 ILE 17 3HD1 ILE 17 -11.679 2.237 0.062 112 HA PRO 18 HA PRO 18 -18.343 6.049 -3.655 113 HB2 PRO 18 1HB PRO 18 -19.501 6.806 -1.319 114 HB3 PRO 18 2HB PRO 18 -19.920 5.307 -2.158 115 HG2 PRO 18 1HG PRO 18 -18.091 5.725 0.175 116 HG3 PRO 18 2HG PRO 18 -19.299 4.453 -0.086 117 HD2 PRO 18 1HD PRO 18 -16.652 4.056 -0.498 118 HD3 PRO 18 2HD PRO 18 -17.901 3.233 -1.454 119 H GLY 19 H GLY 19 -18.055 8.160 -4.086 120 HA2 GLY 19 1HA GLY 19 -17.524 10.396 -3.691 121 HA3 GLY 19 2HA GLY 19 -16.921 9.947 -2.102 122 H THR 20 H THR 20 -14.982 8.168 -2.559 123 HA THR 20 HA THR 20 -12.991 9.773 -3.980 124 HB THR 20 HB THR 20 -11.368 8.888 -2.618 125 HG1 THR 20 1HG THR 20 -13.018 6.580 -2.477 126 HG21 THR 20 1HG2 THR 20 -13.941 8.697 -1.065 127 HG22 THR 20 2HG2 THR 20 -12.777 10.021 -1.092 128 HG23 THR 20 3HG2 THR 20 -12.360 8.496 -0.311 129 HA PRO 21 HA PRO 21 -12.695 6.977 -7.364 130 HB2 PRO 21 1HB PRO 21 -10.135 7.461 -8.127 131 HB3 PRO 21 2HB PRO 21 -11.454 8.603 -8.411 132 HG2 PRO 21 1HG PRO 21 -9.385 8.600 -6.248 133 HG3 PRO 21 2HG PRO 21 -9.997 9.959 -7.209 134 HD2 PRO 21 1HD PRO 21 -10.842 9.463 -4.685 135 HD3 PRO 21 2HD PRO 21 -11.896 10.178 -5.921 136 H TRP 22 H TRP 22 -11.088 6.547 -4.468 137 HA TRP 22 HA TRP 22 -9.302 4.442 -5.167 138 HB2 TRP 22 1HB TRP 22 -10.488 5.355 -2.549 139 HB3 TRP 22 2HB TRP 22 -9.403 3.972 -2.657 140 HD1 TRP 22 HD TRP 22 -9.433 7.774 -2.825 141 HE1 TRP 22 1HE TRP 22 -7.006 8.631 -2.785 142 HE3 TRP 22 3HE TRP 22 -6.989 3.312 -3.332 143 HZ2 TRP 22 2HZ TRP 22 -4.401 7.557 -2.948 144 HZ3 TRP 22 3HZ TRP 22 -4.529 3.314 -3.382 145 HH2 TRP 22 HH TRP 22 -3.264 5.394 -3.194 146 H CYS 23 H CYS 23 -9.520 2.204 -4.766 147 HA CYS 23 HA CYS 23 -12.270 1.238 -4.397 148 HB2 CYS 23 1HB CYS 23 -10.338 0.200 -6.481 149 HB3 CYS 23 2HB CYS 23 -11.960 -0.409 -6.176 150 HG CYS 23 HG CYS 23 -11.071 1.849 -8.289 151 H VAL 24 H VAL 24 -12.341 -0.083 -2.716 152 HA VAL 24 HA VAL 24 -10.035 -1.118 -1.446 153 HB VAL 24 HB VAL 24 -12.917 -1.953 -1.089 154 HG11 VAL 24 1HG1 VAL 24 -10.514 -3.027 -0.020 155 HG12 VAL 24 2HG1 VAL 24 -11.382 -2.210 1.281 156 HG13 VAL 24 3HG1 VAL 24 -12.179 -3.476 0.345 157 HG21 VAL 24 1HG2 VAL 24 -11.278 0.276 0.033 158 HG22 VAL 24 2HG2 VAL 24 -12.946 0.287 -0.539 159 HG23 VAL 24 3HG2 VAL 24 -12.552 -0.450 1.014 160 H VAL 25 H VAL 25 -8.810 -2.718 -2.175 161 HA VAL 25 HA VAL 25 -10.102 -4.944 -3.613 162 HB VAL 25 HB VAL 25 -7.217 -4.086 -3.850 163 HG11 VAL 25 1HG1 VAL 25 -6.891 -5.843 -5.205 164 HG12 VAL 25 2HG1 VAL 25 -8.337 -6.502 -4.436 165 HG13 VAL 25 3HG1 VAL 25 -8.464 -5.660 -5.981 166 HG21 VAL 25 1HG2 VAL 25 -8.353 -3.582 -6.276 167 HG22 VAL 25 2HG2 VAL 25 -9.643 -3.107 -5.171 168 HG23 VAL 25 3HG2 VAL 25 -8.047 -2.368 -5.034 169 H TRP 26 H TRP 26 -10.180 -6.776 -2.510 170 HA TRP 26 HA TRP 26 -8.443 -7.168 -0.211 171 HB2 TRP 26 1HB TRP 26 -10.838 -8.670 -1.266 172 HB3 TRP 26 2HB TRP 26 -9.877 -9.247 0.093 173 HD1 TRP 26 HD TRP 26 -10.151 -7.995 2.414 174 HE1 TRP 26 1HE TRP 26 -11.889 -6.312 3.292 175 HE3 TRP 26 3HE TRP 26 -12.331 -6.689 -2.022 176 HZ2 TRP 26 2HZ TRP 26 -13.916 -4.651 2.244 177 HZ3 TRP 26 3HZ TRP 26 -14.163 -5.046 -1.998 178 HH2 TRP 26 HH TRP 26 -14.938 -4.050 0.092 179 H THR 27 H THR 27 -7.502 -9.378 0.130 180 HA THR 27 HA THR 27 -6.585 -10.580 -2.394 181 HB THR 27 HB THR 27 -4.343 -10.934 -1.262 182 HG1 THR 27 1HG THR 27 -5.450 -8.980 0.494 183 HG21 THR 27 1HG2 THR 27 -4.892 -8.006 -1.598 184 HG22 THR 27 2HG2 THR 27 -5.003 -9.101 -2.976 185 HG23 THR 27 3HG2 THR 27 -3.483 -8.940 -2.098 186 H GLY 28 H GLY 28 -5.338 -12.710 -1.848 187 HA2 GLY 28 1HA GLY 28 -7.211 -14.398 -0.483 188 HA3 GLY 28 2HA GLY 28 -5.714 -14.908 -1.248 189 H ASP 29 H ASP 29 -4.322 -12.766 0.433 190 HA ASP 29 HA ASP 29 -3.845 -14.516 2.710 191 HB2 ASP 29 1HB ASP 29 -2.076 -13.252 1.205 192 HB3 ASP 29 2HB ASP 29 -2.390 -11.933 2.330 193 H GLU 30 H GLU 30 -6.337 -13.442 2.892 194 HA GLU 30 HA GLU 30 -7.717 -12.021 4.068 195 HB2 GLU 30 1HB GLU 30 -5.686 -13.081 6.002 196 HB3 GLU 30 2HB GLU 30 -6.942 -11.984 6.559 197 HG2 GLU 30 1HG GLU 30 -7.674 -14.410 4.985 198 HG3 GLU 30 2HG GLU 30 -7.301 -14.546 6.702 199 H ARG 31 H ARG 31 -5.993 -10.481 2.569 200 HA ARG 31 HA ARG 31 -5.513 -8.211 4.380 201 HB2 ARG 31 1HB ARG 31 -3.690 -9.445 2.380 202 HB3 ARG 31 2HB ARG 31 -3.684 -7.690 2.502 203 HG2 ARG 31 1HG ARG 31 -3.330 -9.480 4.887 204 HG3 ARG 31 2HG ARG 31 -1.980 -8.925 3.894 205 HD2 ARG 31 1HD ARG 31 -2.384 -6.661 4.443 206 HD3 ARG 31 2HD ARG 31 -3.964 -7.035 5.133 207 HE ARG 31 HE ARG 31 -2.920 -7.467 7.109 208 HH11 ARG 31 2HH1 ARG 31 -0.593 -7.797 4.541 209 HH12 ARG 31 1HH1 ARG 31 0.742 -8.077 5.610 210 HH21 ARG 31 2HH2 ARG 31 -1.171 -7.834 8.527 211 HH22 ARG 31 1HH2 ARG 31 0.411 -8.098 7.877 212 H VAL 32 H VAL 32 -5.629 -6.105 3.345 213 HA VAL 32 HA VAL 32 -7.016 -6.042 0.768 214 HB VAL 32 HB VAL 32 -8.832 -6.049 2.362 215 HG11 VAL 32 1HG1 VAL 32 -8.278 -5.354 4.425 216 HG12 VAL 32 2HG1 VAL 32 -7.059 -4.226 3.828 217 HG13 VAL 32 3HG1 VAL 32 -8.762 -3.766 3.830 218 HG21 VAL 32 1HG2 VAL 32 -8.308 -3.957 0.528 219 HG22 VAL 32 2HG2 VAL 32 -9.870 -4.591 1.048 220 HG23 VAL 32 3HG2 VAL 32 -9.126 -3.252 1.923 221 H PHE 33 H PHE 33 -6.547 -4.286 -0.463 222 HA PHE 33 HA PHE 33 -4.987 -2.123 0.777 223 HB2 PHE 33 1HB PHE 33 -3.456 -2.087 -1.090 224 HB3 PHE 33 2HB PHE 33 -3.498 -3.720 -0.432 225 HD1 PHE 33 1HD PHE 33 -4.725 -5.502 -1.638 226 HD2 PHE 33 2HD PHE 33 -4.129 -1.633 -3.310 227 HE1 PHE 33 1HE PHE 33 -5.259 -6.388 -3.871 228 HE2 PHE 33 2HE PHE 33 -4.663 -2.513 -5.545 229 HZ PHE 33 HZ PHE 33 -5.230 -4.893 -5.827 230 H PHE 34 H PHE 34 -4.880 -0.157 -0.625 231 HA PHE 34 HA PHE 34 -7.499 0.267 -1.880 232 HB2 PHE 34 1HB PHE 34 -5.540 2.404 -1.044 233 HB3 PHE 34 2HB PHE 34 -7.257 2.586 -1.389 234 HD1 PHE 34 2HD PHE 34 -4.896 0.951 0.967 235 HD2 PHE 34 1HD PHE 34 -8.810 2.497 0.330 236 HE1 PHE 34 2HE PHE 34 -5.402 0.644 3.355 237 HE2 PHE 34 1HE PHE 34 -9.322 2.193 2.717 238 HZ PHE 34 HZ PHE 34 -7.618 1.265 4.233 239 H TYR 35 H TYR 35 -7.677 0.625 -3.997 240 HA TYR 35 HA TYR 35 -5.217 1.197 -5.518 241 HB2 TYR 35 1HB TYR 35 -5.878 -1.017 -6.079 242 HB3 TYR 35 2HB TYR 35 -7.571 -0.556 -6.214 243 HD1 TYR 35 1HD TYR 35 -4.331 0.580 -7.709 244 HD2 TYR 35 2HD TYR 35 -8.379 -0.552 -8.365 245 HE1 TYR 35 1HE TYR 35 -4.034 0.940 -10.124 246 HE2 TYR 35 2HE TYR 35 -8.093 -0.196 -10.782 247 HH TYR 35 HH TYR 35 -5.411 -0.151 -12.330 248 H ASN 36 H ASN 36 -5.456 2.471 -7.440 249 HA ASN 36 HA ASN 36 -7.925 4.056 -7.581 250 HB2 ASN 36 1HB ASN 36 -6.163 5.289 -6.295 251 HB3 ASN 36 2HB ASN 36 -5.150 5.248 -7.735 252 HD21 ASN 36 1HD2 ASN 36 -6.762 7.326 -6.070 253 HD22 ASN 36 2HD2 ASN 36 -7.487 8.304 -7.296 254 HA PRO 37 HA PRO 37 -7.070 2.583 -11.789 255 HB2 PRO 37 1HB PRO 37 -9.645 2.823 -12.616 256 HB3 PRO 37 2HB PRO 37 -9.054 1.428 -11.705 257 HG2 PRO 37 1HG PRO 37 -10.560 3.826 -10.733 258 HG3 PRO 37 2HG PRO 37 -10.786 2.117 -10.314 259 HD2 PRO 37 1HD PRO 37 -9.459 3.848 -8.708 260 HD3 PRO 37 2HD PRO 37 -9.040 2.126 -8.809 261 H THR 38 H THR 38 -7.847 5.554 -10.489 262 HA THR 38 HA THR 38 -8.182 6.880 -13.077 263 HB THR 38 HB THR 38 -8.280 8.104 -10.314 264 HG1 THR 38 1HG THR 38 -10.360 7.171 -12.027 265 HG21 THR 38 1HG2 THR 38 -8.724 9.134 -13.079 266 HG22 THR 38 2HG2 THR 38 -7.936 9.906 -11.703 267 HG23 THR 38 3HG2 THR 38 -9.694 9.787 -11.760 268 H THR 39 H THR 39 -5.947 6.611 -10.385 269 HA THR 39 HA THR 39 -4.011 8.237 -11.903 270 HB THR 39 HB THR 39 -2.959 8.873 -9.792 271 HG1 THR 39 1HG THR 39 -4.016 6.832 -8.767 272 HG21 THR 39 1HG2 THR 39 -4.360 10.607 -9.485 273 HG22 THR 39 2HG2 THR 39 -5.729 9.559 -9.113 274 HG23 THR 39 3HG2 THR 39 -5.292 9.878 -10.792 275 H ARG 40 H ARG 40 -4.643 5.245 -11.721 276 HA ARG 40 HA ARG 40 -3.545 3.245 -11.452 277 HB2 ARG 40 1HB ARG 40 -1.346 4.942 -12.649 278 HB3 ARG 40 2HB ARG 40 -1.402 3.185 -12.663 279 HG2 ARG 40 1HG ARG 40 -3.678 3.528 -13.866 280 HG3 ARG 40 2HG ARG 40 -3.047 5.142 -14.199 281 HD2 ARG 40 1HD ARG 40 -0.957 3.940 -15.061 282 HD3 ARG 40 2HD ARG 40 -1.948 2.481 -15.053 283 HE ARG 40 HE ARG 40 -3.152 4.681 -16.454 284 HH11 ARG 40 2HH1 ARG 40 -0.961 1.987 -16.703 285 HH12 ARG 40 1HH1 ARG 40 -1.153 1.822 -18.417 286 HH21 ARG 40 2HH2 ARG 40 -3.412 4.474 -18.710 287 HH22 ARG 40 1HH2 ARG 40 -2.546 3.238 -19.558 288 H LEU 41 H LEU 41 -3.529 4.705 -9.053 289 HA LEU 41 HA LEU 41 -0.842 4.160 -7.980 290 HB2 LEU 41 1HB LEU 41 -1.946 6.494 -7.833 291 HB3 LEU 41 2HB LEU 41 -2.936 5.770 -6.567 292 HG LEU 41 HG LEU 41 -1.099 6.998 -5.590 293 HD11 LEU 41 1HD1 LEU 41 -0.367 5.381 -4.080 294 HD12 LEU 41 2HD1 LEU 41 -0.375 4.104 -5.296 295 HD13 LEU 41 3HD1 LEU 41 -1.898 4.740 -4.676 296 HD21 LEU 41 1HD2 LEU 41 0.430 6.840 -7.524 297 HD22 LEU 41 2HD2 LEU 41 0.733 5.151 -7.116 298 HD23 LEU 41 3HD2 LEU 41 1.211 6.428 -5.998 299 H SER 42 H SER 42 -0.582 2.579 -6.536 300 HA SER 42 HA SER 42 -2.926 1.567 -5.090 301 HB2 SER 42 1HB SER 42 -2.400 -0.720 -5.592 302 HB3 SER 42 2HB SER 42 -2.455 0.151 -7.125 303 HG SER 42 HG SER 42 -0.223 0.175 -7.165 304 H MET 43 H MET 43 -2.501 1.729 -2.999 305 HA MET 43 HA MET 43 0.271 1.322 -2.088 306 HB2 MET 43 1HB MET 43 -1.847 2.799 -0.541 307 HB3 MET 43 2HB MET 43 -0.103 2.846 -0.321 308 HG2 MET 43 1HG MET 43 -0.174 3.797 -2.781 309 HG3 MET 43 2HG MET 43 -1.808 4.249 -2.299 310 HE1 MET 43 1HE MET 43 -1.906 5.070 0.493 311 HE2 MET 43 2HE MET 43 -0.390 4.329 1.005 312 HE3 MET 43 3HE MET 43 -0.622 6.069 1.176 313 H TRP 44 H TRP 44 0.529 0.343 0.047 314 HA TRP 44 HA TRP 44 -1.311 -1.883 0.368 315 HB2 TRP 44 1HB TRP 44 1.464 -1.266 1.244 316 HB3 TRP 44 2HB TRP 44 0.524 -2.359 2.257 317 HD1 TRP 44 HD TRP 44 2.627 -2.313 -0.799 318 HE1 TRP 44 1HE TRP 44 2.534 -4.597 -1.983 319 HE3 TRP 44 3HE TRP 44 -1.311 -4.376 1.725 320 HZ2 TRP 44 2HZ TRP 44 0.994 -6.959 -1.863 321 HZ3 TRP 44 3HZ TRP 44 -2.032 -6.651 1.129 322 HH2 TRP 44 HH TRP 44 -0.902 -7.915 -0.628 323 H ASP 45 H ASP 45 -0.848 1.186 1.694 324 HA ASP 45 HA ASP 45 -2.393 0.439 4.091 325 HB2 ASP 45 1HB ASP 45 -0.160 2.404 3.724 326 HB3 ASP 45 2HB ASP 45 -1.372 2.688 4.970 327 H ARG 46 H ARG 46 -3.523 2.523 4.998 328 HA ARG 46 HA ARG 46 -5.253 3.451 2.866 329 HB2 ARG 46 1HB ARG 46 -6.059 2.654 5.141 330 HB3 ARG 46 2HB ARG 46 -5.427 4.160 5.792 331 HG2 ARG 46 1HG ARG 46 -7.279 4.329 3.483 332 HG3 ARG 46 2HG ARG 46 -7.951 3.892 5.055 333 HD2 ARG 46 1HD ARG 46 -6.141 6.262 4.729 334 HD3 ARG 46 2HD ARG 46 -7.870 6.379 4.409 335 HE ARG 46 HE ARG 46 -6.589 6.158 6.977 336 HH11 ARG 46 2HH1 ARG 46 -9.533 5.687 5.181 337 HH12 ARG 46 1HH1 ARG 46 -10.555 5.791 6.577 338 HH21 ARG 46 2HH2 ARG 46 -7.923 6.297 8.822 339 HH22 ARG 46 1HH2 ARG 46 -9.638 6.139 8.647 340 HA PRO 47 HA PRO 47 -2.745 7.155 2.493 341 HB2 PRO 47 1HB PRO 47 -4.070 8.117 0.327 342 HB3 PRO 47 2HB PRO 47 -2.854 6.839 0.219 343 HG2 PRO 47 1HG PRO 47 -5.838 6.614 0.261 344 HG3 PRO 47 2HG PRO 47 -4.666 5.757 -0.756 345 HD2 PRO 47 1HD PRO 47 -5.794 4.630 1.432 346 HD3 PRO 47 2HD PRO 47 -4.145 4.242 0.902 347 H ASP 48 H ASP 48 -3.160 9.451 2.592 348 HA ASP 48 HA ASP 48 -5.083 10.180 4.482 349 HB2 ASP 48 1HB ASP 48 -4.549 12.569 3.469 350 HB3 ASP 48 2HB ASP 48 -3.355 11.694 4.423 351 H ASP 49 H ASP 49 -5.075 10.584 0.957 352 HA ASP 49 HA ASP 49 -7.256 12.079 0.461 353 HB2 ASP 49 1HB ASP 49 -6.297 9.569 -0.884 354 HB3 ASP 49 2HB ASP 49 -7.730 10.409 -1.471 355 H LEU 50 H LEU 50 -7.253 8.952 1.949 356 HA LEU 50 HA LEU 50 -10.189 8.859 1.854 357 HB2 LEU 50 1HB LEU 50 -8.137 6.734 2.432 358 HB3 LEU 50 2HB LEU 50 -9.869 6.500 2.660 359 HG LEU 50 HG LEU 50 -8.533 7.112 0.025 360 HD11 LEU 50 1HD1 LEU 50 -7.872 4.933 0.564 361 HD12 LEU 50 2HD1 LEU 50 -9.296 4.725 -0.454 362 HD13 LEU 50 3HD1 LEU 50 -9.429 4.545 1.296 363 HD21 LEU 50 1HD2 LEU 50 -11.121 5.953 -0.200 364 HD22 LEU 50 2HD2 LEU 50 -10.565 7.531 -0.757 365 HD23 LEU 50 3HD2 LEU 50 -11.224 7.351 0.870 366 H ILE 51 H ILE 51 -7.426 8.995 3.989 367 HA ILE 51 HA ILE 51 -8.409 8.336 6.434 368 HB ILE 51 HB ILE 51 -6.629 10.654 5.701 369 HG12 ILE 51 1HG1 ILE 51 -6.040 7.979 6.987 370 HG13 ILE 51 2HG1 ILE 51 -5.789 8.357 5.286 371 HG21 ILE 51 1HG2 ILE 51 -7.214 9.601 8.466 372 HG22 ILE 51 2HG2 ILE 51 -6.046 10.855 8.051 373 HG23 ILE 51 3HG2 ILE 51 -7.770 11.144 7.818 374 HD11 ILE 51 1HD1 ILE 51 -3.995 8.689 7.407 375 HD12 ILE 51 2HD1 ILE 51 -3.795 9.198 5.730 376 HD13 ILE 51 3HD1 ILE 51 -4.480 10.311 6.914 377 H GLY 52 H GLY 52 -10.083 8.936 7.637 378 HA2 GLY 52 1HA GLY 52 -11.295 10.687 8.781 379 HA3 GLY 52 2HA GLY 52 -11.113 11.683 7.344 380 H ARG 53 H ARG 53 -11.821 9.576 5.487 381 HA ARG 53 HA ARG 53 -14.618 9.966 5.427 382 HB2 ARG 53 1HB ARG 53 -12.694 8.281 3.865 383 HB3 ARG 53 2HB ARG 53 -14.424 8.049 3.653 384 HG2 ARG 53 1HG ARG 53 -14.407 10.655 3.327 385 HG3 ARG 53 2HG ARG 53 -12.715 10.366 2.917 386 HD2 ARG 53 1HD ARG 53 -13.616 10.097 0.850 387 HD3 ARG 53 2HD ARG 53 -13.813 8.447 1.440 388 HE ARG 53 HE ARG 53 -16.065 8.742 1.298 389 HH11 ARG 53 2HH1 ARG 53 -14.560 11.871 1.546 390 HH12 ARG 53 1HH1 ARG 53 -16.044 12.745 1.352 391 HH21 ARG 53 2HH2 ARG 53 -18.024 9.880 1.041 392 HH22 ARG 53 1HH2 ARG 53 -18.014 11.611 1.065 393 H ALA 54 H ALA 54 -16.316 8.631 5.922 394 HA ALA 54 HA ALA 54 -15.733 6.499 7.815 395 HB1 ALA 54 1HB ALA 54 -17.533 8.392 8.023 396 HB2 ALA 54 2HB ALA 54 -18.512 7.275 7.071 397 HB3 ALA 54 3HB ALA 54 -17.861 6.768 8.630 398 H ASP 55 H ASP 55 -16.929 6.932 4.576 399 HA ASP 55 HA ASP 55 -18.155 4.407 4.248 400 HB2 ASP 55 1HB ASP 55 -16.844 5.781 1.941 401 HB3 ASP 55 2HB ASP 55 -18.409 4.976 2.024 402 H VAL 56 H VAL 56 -14.906 5.582 3.398 403 HA VAL 56 HA VAL 56 -13.900 3.260 2.263 404 HB VAL 56 HB VAL 56 -12.634 5.290 2.119 405 HG11 VAL 56 1HG1 VAL 56 -11.981 5.168 5.043 406 HG12 VAL 56 2HG1 VAL 56 -11.784 6.512 3.915 407 HG13 VAL 56 3HG1 VAL 56 -13.396 6.041 4.455 408 HG21 VAL 56 1HG2 VAL 56 -11.222 3.428 1.915 409 HG22 VAL 56 2HG2 VAL 56 -10.395 4.488 3.057 410 HG23 VAL 56 3HG2 VAL 56 -11.284 3.082 3.643 411 H ASP 57 H ASP 57 -14.389 4.081 5.619 412 HA ASP 57 HA ASP 57 -12.808 1.905 6.640 413 HB2 ASP 57 1HB ASP 57 -13.352 4.130 7.821 414 HB3 ASP 57 2HB ASP 57 -14.912 3.400 8.190 415 H LYS 58 H LYS 58 -16.303 2.611 6.573 416 HA LYS 58 HA LYS 58 -17.284 0.295 7.655 417 HB2 LYS 58 1HB LYS 58 -18.638 2.264 6.938 418 HB3 LYS 58 2HB LYS 58 -18.473 1.726 5.272 419 HG2 LYS 58 1HG LYS 58 -19.577 -0.416 5.949 420 HG3 LYS 58 2HG LYS 58 -19.902 0.326 7.517 421 HD2 LYS 58 1HD LYS 58 -21.086 2.168 6.311 422 HD3 LYS 58 2HD LYS 58 -20.888 1.246 4.819 423 HE2 LYS 58 1HE LYS 58 -22.989 0.582 5.466 424 HE3 LYS 58 2HE LYS 58 -21.998 -0.670 6.213 425 HZ1 LYS 58 1HZ LYS 58 -22.089 0.556 8.296 426 HZ2 LYS 58 2HZ LYS 58 -23.646 0.178 7.755 427 HZ3 LYS 58 3HZ LYS 58 -23.048 1.750 7.578 428 H ILE 59 H ILE 59 -16.648 0.851 4.191 429 HA ILE 59 HA ILE 59 -17.335 -1.596 3.172 430 HB ILE 59 HB ILE 59 -14.976 0.104 2.357 431 HG12 ILE 59 1HG1 ILE 59 -17.743 -0.053 1.149 432 HG13 ILE 59 2HG1 ILE 59 -17.257 1.172 2.315 433 HG21 ILE 59 1HG2 ILE 59 -16.405 -1.924 0.659 434 HG22 ILE 59 2HG2 ILE 59 -14.896 -1.079 0.316 435 HG23 ILE 59 3HG2 ILE 59 -14.952 -2.305 1.582 436 HD11 ILE 59 1HD1 ILE 59 -15.317 1.194 0.287 437 HD12 ILE 59 2HD1 ILE 59 -16.889 1.124 -0.511 438 HD13 ILE 59 3HD1 ILE 59 -16.540 2.415 0.638 439 H ILE 60 H ILE 60 -14.102 -0.688 4.372 440 HA ILE 60 HA ILE 60 -12.921 -3.208 4.061 441 HB ILE 60 HB ILE 60 -12.273 -0.971 5.977 442 HG12 ILE 60 1HG1 ILE 60 -10.665 -1.848 3.595 443 HG13 ILE 60 2HG1 ILE 60 -12.042 -0.769 3.397 444 HG21 ILE 60 1HG2 ILE 60 -11.318 -2.785 7.057 445 HG22 ILE 60 2HG2 ILE 60 -10.950 -3.618 5.548 446 HG23 ILE 60 3HG2 ILE 60 -10.003 -2.212 6.032 447 HD11 ILE 60 1HD1 ILE 60 -9.742 -0.199 5.243 448 HD12 ILE 60 2HD1 ILE 60 -9.821 0.355 3.570 449 HD13 ILE 60 3HD1 ILE 60 -11.024 0.902 4.738 450 H GLN 61 H GLN 61 -14.711 -1.800 6.759 451 HA GLN 61 HA GLN 61 -14.209 -3.775 8.671 452 HB2 GLN 61 1HB GLN 61 -16.615 -1.995 8.274 453 HB3 GLN 61 2HB GLN 61 -16.378 -3.011 9.689 454 HG2 GLN 61 1HG GLN 61 -14.069 -1.732 9.777 455 HG3 GLN 61 2HG GLN 61 -14.986 -0.521 8.883 456 HE21 GLN 61 1HE2 GLN 61 -15.485 1.024 10.269 457 HE22 GLN 61 2HE2 GLN 61 -16.189 0.795 11.830 458 H GLU 62 H GLU 62 -16.927 -3.482 6.389 459 HA GLU 62 HA GLU 62 -17.404 -6.369 6.748 460 HB2 GLU 62 1HB GLU 62 -19.302 -4.074 6.617 461 HB3 GLU 62 2HB GLU 62 -19.803 -5.599 5.901 462 HG2 GLU 62 1HG GLU 62 -20.620 -5.840 8.014 463 HG3 GLU 62 2HG GLU 62 -19.032 -6.581 8.200 464 HA PRO 63 HA PRO 63 -16.216 -5.812 2.359 465 HB2 PRO 63 1HB PRO 63 -15.087 -8.272 2.142 466 HB3 PRO 63 2HB PRO 63 -14.223 -6.872 2.789 467 HG2 PRO 63 1HG PRO 63 -15.576 -9.106 4.253 468 HG3 PRO 63 2HG PRO 63 -14.008 -8.344 4.577 469 HD2 PRO 63 1HD PRO 63 -16.243 -7.734 5.980 470 HD3 PRO 63 2HD PRO 63 -14.965 -6.545 5.656 471 HA PRO 64 HA PRO 64 -19.652 -7.943 0.611 472 HB2 PRO 64 1HB PRO 64 -18.801 -8.196 -1.955 473 HB3 PRO 64 2HB PRO 64 -19.323 -6.656 -1.263 474 HG2 PRO 64 1HG PRO 64 -16.550 -7.711 -1.661 475 HG3 PRO 64 2HG PRO 64 -17.181 -6.081 -1.963 476 HD2 PRO 64 1HD PRO 64 -15.761 -6.706 0.257 477 HD3 PRO 64 2HD PRO 64 -17.047 -5.482 0.259 478 H HIS 65 H HIS 65 -16.520 -9.243 -0.508 479 HA HIS 65 HA HIS 65 -17.326 -11.763 -1.263 480 HB2 HIS 65 1HB HIS 65 -15.060 -12.444 -1.073 481 HB3 HIS 65 2HB HIS 65 -15.013 -10.730 -1.475 482 HD1 HIS 65 1HD HIS 65 -14.357 -9.086 0.483 483 HD2 HIS 65 2HD HIS 65 -13.896 -13.127 1.331 484 HE1 HIS 65 1HE HIS 65 -12.911 -9.182 2.539 485 H LYS 66 H LYS 66 -17.310 -10.427 1.869 486 HA LYS 66 HA LYS 66 -17.329 -13.040 3.179 487 HB2 LYS 66 1HB LYS 66 -17.237 -10.211 4.212 488 HB3 LYS 66 2HB LYS 66 -17.527 -11.581 5.275 489 HG2 LYS 66 1HG LYS 66 -15.092 -11.189 3.547 490 HG3 LYS 66 2HG LYS 66 -15.185 -10.901 5.286 491 HD2 LYS 66 1HD LYS 66 -14.387 -13.017 5.381 492 HD3 LYS 66 2HD LYS 66 -16.094 -13.428 5.196 493 HE2 LYS 66 1HE LYS 66 -15.442 -13.208 2.620 494 HE3 LYS 66 2HE LYS 66 -13.858 -13.643 3.259 495 HZ1 LYS 66 1HZ LYS 66 -14.910 -15.649 2.703 496 HZ2 LYS 66 2HZ LYS 66 -16.373 -15.195 3.419 497 HZ3 LYS 66 3HZ LYS 66 -15.031 -15.547 4.387 498 H LYS 67 H LYS 67 -19.404 -10.224 2.656 499 HA LYS 67 HA LYS 67 -21.592 -10.995 4.196 500 HB2 LYS 67 1HB LYS 67 -21.269 -8.773 3.083 501 HB3 LYS 67 2HB LYS 67 -21.708 -9.528 1.556 502 HG2 LYS 67 1HG LYS 67 -23.859 -10.235 2.840 503 HG3 LYS 67 2HG LYS 67 -23.411 -8.919 3.927 504 HD2 LYS 67 1HD LYS 67 -23.588 -7.309 2.225 505 HD3 LYS 67 2HD LYS 67 -23.570 -8.531 0.951 506 HE2 LYS 67 1HE LYS 67 -25.752 -9.342 2.219 507 HE3 LYS 67 2HE LYS 67 -25.789 -7.654 2.725 508 HZ1 LYS 67 1HZ LYS 67 -26.222 -6.940 0.636 509 HZ2 LYS 67 2HZ LYS 67 -26.902 -8.482 0.491 510 HZ3 LYS 67 3HZ LYS 67 -25.349 -8.183 -0.110 511 H SER 68 H SER 68 -22.327 -13.044 4.094 512 HA SER 68 HA SER 68 -22.423 -14.682 1.842 513 HB2 SER 68 1HB SER 68 -24.065 -14.713 4.379 514 HB3 SER 68 2HB SER 68 -24.155 -15.982 3.157 515 HG SER 68 HG SER 68 -22.507 -16.799 4.161 516 H GLY 69 H GLY 69 -24.337 -15.493 0.696 517 HA2 GLY 69 1HA GLY 69 -26.767 -14.996 0.282 518 HA3 GLY 69 2HA GLY 69 -26.273 -13.311 0.223 519 HA PRO 70 HA PRO 70 -26.185 -15.315 -4.051 520 HB2 PRO 70 1HB PRO 70 -28.166 -13.821 -5.152 521 HB3 PRO 70 2HB PRO 70 -28.465 -15.357 -4.330 522 HG2 PRO 70 1HG PRO 70 -28.775 -12.565 -3.297 523 HG3 PRO 70 2HG PRO 70 -29.851 -13.960 -3.093 524 HD2 PRO 70 1HD PRO 70 -28.131 -13.153 -1.164 525 HD3 PRO 70 2HD PRO 70 -28.575 -14.856 -1.396 526 H SER 71 H SER 71 -24.543 -14.483 -5.165 527 HA SER 71 HA SER 71 -24.392 -11.556 -5.476 528 HB2 SER 71 1HB SER 71 -22.565 -12.249 -4.075 529 HB3 SER 71 2HB SER 71 -22.152 -13.566 -5.172 530 HG SER 71 HG SER 71 -21.742 -11.870 -6.761 531 H SER 72 H SER 72 -24.649 -10.883 -7.490 532 HA SER 72 HA SER 72 -24.071 -12.760 -9.686 533 HB2 SER 72 1HB SER 72 -25.738 -11.563 -11.004 534 HB3 SER 72 2HB SER 72 -26.451 -12.088 -9.479 535 HG SER 72 HG SER 72 -26.984 -10.062 -9.302 536 H GLY 73 H GLY 73 -21.968 -11.315 -8.591 537 HA2 GLY 73 1HA GLY 73 -20.128 -10.356 -9.736 538 HA3 GLY 73 2HA GLY 73 -21.248 -9.651 -10.893 Start of MODEL 13 1 H1 GLY 1 H GLY 1 10.707 -10.269 -9.865 2 HA2 GLY 1 1HA GLY 1 9.936 -7.593 -9.966 3 HA3 GLY 1 2HA GLY 1 9.969 -8.573 -8.508 4 H SER 2 H SER 2 11.311 -5.934 -10.113 5 HA SER 2 HA SER 2 13.897 -5.935 -8.909 6 HB2 SER 2 1HB SER 2 14.029 -3.605 -9.706 7 HB3 SER 2 2HB SER 2 13.453 -4.687 -10.973 8 HG SER 2 HG SER 2 11.363 -3.958 -10.599 9 H SER 3 H SER 3 10.823 -4.338 -8.162 10 HA SER 3 HA SER 3 11.911 -3.086 -5.795 11 HB2 SER 3 1HB SER 3 9.189 -3.137 -7.081 12 HB3 SER 3 2HB SER 3 9.425 -2.459 -5.470 13 HG SER 3 HG SER 3 11.016 -1.654 -7.659 14 H GLY 4 H GLY 4 12.220 -4.203 -3.990 15 HA2 GLY 4 1HA GLY 4 11.980 -5.789 -2.343 16 HA3 GLY 4 2HA GLY 4 10.261 -5.470 -2.522 17 H SER 5 H SER 5 8.985 -7.042 -3.292 18 HA SER 5 HA SER 5 10.074 -9.175 -4.925 19 HB2 SER 5 1HB SER 5 10.423 -9.770 -2.444 20 HB3 SER 5 2HB SER 5 8.670 -9.953 -2.373 21 HG SER 5 HG SER 5 10.518 -11.650 -3.353 22 H SER 6 H SER 6 8.576 -10.058 -6.255 23 HA SER 6 HA SER 6 6.154 -8.749 -6.702 24 HB2 SER 6 1HB SER 6 7.356 -11.315 -7.650 25 HB3 SER 6 2HB SER 6 5.649 -11.018 -7.977 26 HG SER 6 HG SER 6 7.810 -9.988 -9.199 27 H GLY 7 H GLY 7 6.620 -12.045 -5.402 28 HA2 GLY 7 1HA GLY 7 5.468 -13.065 -3.653 29 HA3 GLY 7 2HA GLY 7 4.451 -11.638 -3.524 30 H LYS 8 H LYS 8 3.584 -11.528 -6.219 31 HA LYS 8 HA LYS 8 1.988 -12.353 -7.618 32 HB2 LYS 8 1HB LYS 8 3.599 -14.315 -7.693 33 HB3 LYS 8 2HB LYS 8 2.582 -15.085 -6.483 34 HG2 LYS 8 1HG LYS 8 0.671 -14.926 -8.043 35 HG3 LYS 8 2HG LYS 8 1.764 -14.266 -9.263 36 HD2 LYS 8 1HD LYS 8 3.156 -16.419 -8.762 37 HD3 LYS 8 2HD LYS 8 1.626 -17.028 -8.128 38 HE2 LYS 8 1HE LYS 8 1.509 -17.711 -10.322 39 HE3 LYS 8 2HE LYS 8 0.672 -16.161 -10.398 40 HZ1 LYS 8 1HZ LYS 8 2.885 -16.953 -11.861 41 HZ2 LYS 8 2HZ LYS 8 3.446 -15.782 -10.777 42 HZ3 LYS 8 3HZ LYS 8 2.171 -15.419 -11.828 43 H ALA 9 H ALA 9 1.223 -11.344 -5.122 44 HA ALA 9 HA ALA 9 -0.855 -13.133 -4.121 45 HB1 ALA 9 1HB ALA 9 0.770 -11.241 -2.903 46 HB2 ALA 9 2HB ALA 9 -0.829 -10.496 -2.931 47 HB3 ALA 9 3HB ALA 9 -0.605 -12.076 -2.179 48 H LYS 10 H LYS 10 -2.133 -13.068 -6.072 49 HA LYS 10 HA LYS 10 -3.218 -10.673 -7.116 50 HB2 LYS 10 1HB LYS 10 -3.772 -13.580 -7.415 51 HB3 LYS 10 2HB LYS 10 -5.038 -12.463 -7.908 52 HG2 LYS 10 1HG LYS 10 -3.655 -13.062 -9.797 53 HG3 LYS 10 2HG LYS 10 -3.460 -11.350 -9.415 54 HD2 LYS 10 1HD LYS 10 -1.307 -11.617 -8.688 55 HD3 LYS 10 2HD LYS 10 -1.576 -13.282 -8.167 56 HE2 LYS 10 1HE LYS 10 -1.517 -12.445 -11.059 57 HE3 LYS 10 2HE LYS 10 -0.085 -12.980 -10.182 58 HZ1 LYS 10 1HZ LYS 10 -2.558 -14.579 -10.569 59 HZ2 LYS 10 2HZ LYS 10 -1.164 -15.092 -9.761 60 HZ3 LYS 10 3HZ LYS 10 -1.113 -14.787 -11.424 61 HA PRO 11 HA PRO 11 -6.343 -9.704 -4.172 62 HB2 PRO 11 1HB PRO 11 -8.016 -8.281 -5.768 63 HB3 PRO 11 2HB PRO 11 -6.465 -7.652 -5.200 64 HG2 PRO 11 1HG PRO 11 -7.160 -8.872 -7.844 65 HG3 PRO 11 2HG PRO 11 -6.171 -7.442 -7.497 66 HD2 PRO 11 1HD PRO 11 -5.090 -9.857 -8.071 67 HD3 PRO 11 2HD PRO 11 -4.312 -8.700 -6.972 68 H VAL 12 H VAL 12 -8.342 -10.401 -3.485 69 HA VAL 12 HA VAL 12 -9.516 -12.583 -5.011 70 HB VAL 12 HB VAL 12 -10.869 -12.994 -2.984 71 HG11 VAL 12 1HG1 VAL 12 -8.975 -14.281 -2.919 72 HG12 VAL 12 2HG1 VAL 12 -7.894 -12.887 -2.901 73 HG13 VAL 12 3HG1 VAL 12 -8.770 -13.344 -1.440 74 HG21 VAL 12 1HG2 VAL 12 -9.580 -11.481 -1.034 75 HG22 VAL 12 2HG2 VAL 12 -9.942 -10.338 -2.327 76 HG23 VAL 12 3HG2 VAL 12 -11.239 -11.288 -1.601 77 H ALA 13 H ALA 13 -10.213 -9.305 -4.105 78 HA ALA 13 HA ALA 13 -12.448 -9.219 -5.910 79 HB1 ALA 13 1HB ALA 13 -13.759 -8.136 -3.793 80 HB2 ALA 13 2HB ALA 13 -13.975 -9.790 -4.367 81 HB3 ALA 13 3HB ALA 13 -12.887 -9.460 -3.020 82 H THR 14 H THR 14 -13.492 -6.959 -5.812 83 HA THR 14 HA THR 14 -11.777 -4.858 -4.802 84 HB THR 14 HB THR 14 -12.255 -4.988 -7.780 85 HG1 THR 14 1HG THR 14 -10.665 -6.388 -7.747 86 HG21 THR 14 1HG2 THR 14 -11.341 -2.947 -7.877 87 HG22 THR 14 2HG2 THR 14 -10.037 -3.394 -6.777 88 HG23 THR 14 3HG2 THR 14 -11.591 -2.868 -6.133 89 H ALA 15 H ALA 15 -13.085 -3.341 -4.041 90 HA ALA 15 HA ALA 15 -15.630 -2.839 -5.440 91 HB1 ALA 15 1HB ALA 15 -16.344 -2.143 -2.986 92 HB2 ALA 15 2HB ALA 15 -16.478 -3.806 -3.559 93 HB3 ALA 15 3HB ALA 15 -15.107 -3.326 -2.558 94 HA PRO 16 HA PRO 16 -13.978 1.277 -5.691 95 HB2 PRO 16 1HB PRO 16 -16.185 2.423 -6.781 96 HB3 PRO 16 2HB PRO 16 -15.066 1.417 -7.710 97 HG2 PRO 16 1HG PRO 16 -17.701 0.689 -6.489 98 HG3 PRO 16 2HG PRO 16 -17.052 0.267 -8.084 99 HD2 PRO 16 1HD PRO 16 -17.017 -1.456 -5.995 100 HD3 PRO 16 2HD PRO 16 -15.755 -1.444 -7.243 101 H ILE 17 H ILE 17 -13.855 2.760 -4.134 102 HA ILE 17 HA ILE 17 -15.787 2.844 -2.013 103 HB ILE 17 HB ILE 17 -13.365 4.571 -2.533 104 HG12 ILE 17 1HG1 ILE 17 -13.858 2.059 -0.971 105 HG13 ILE 17 2HG1 ILE 17 -12.535 2.444 -2.066 106 HG21 ILE 17 1HG2 ILE 17 -14.869 4.337 0.057 107 HG22 ILE 17 2HG2 ILE 17 -13.617 5.497 -0.382 108 HG23 ILE 17 3HG2 ILE 17 -15.211 5.596 -1.128 109 HD11 ILE 17 1HD1 ILE 17 -11.794 2.346 0.249 110 HD12 ILE 17 2HD1 ILE 17 -11.603 3.968 -0.418 111 HD13 ILE 17 3HD1 ILE 17 -12.941 3.615 0.675 112 HA PRO 18 HA PRO 18 -18.407 5.971 -3.701 113 HB2 PRO 18 1HB PRO 18 -19.659 6.688 -1.401 114 HB3 PRO 18 2HB PRO 18 -20.009 5.181 -2.256 115 HG2 PRO 18 1HG PRO 18 -18.268 5.642 0.134 116 HG3 PRO 18 2HG PRO 18 -19.430 4.337 -0.168 117 HD2 PRO 18 1HD PRO 18 -16.762 4.016 -0.497 118 HD3 PRO 18 2HD PRO 18 -17.956 3.161 -1.494 119 H GLY 19 H GLY 19 -18.031 8.044 -4.185 120 HA2 GLY 19 1HA GLY 19 -17.634 10.315 -3.724 121 HA3 GLY 19 2HA GLY 19 -17.031 9.865 -2.136 122 H THR 20 H THR 20 -15.036 8.163 -2.570 123 HA THR 20 HA THR 20 -13.084 9.821 -3.983 124 HB THR 20 HB THR 20 -11.444 8.988 -2.608 125 HG1 THR 20 1HG THR 20 -13.017 6.634 -2.544 126 HG21 THR 20 1HG2 THR 20 -12.452 8.572 -0.304 127 HG22 THR 20 2HG2 THR 20 -14.026 8.751 -1.079 128 HG23 THR 20 3HG2 THR 20 -12.879 10.090 -1.092 129 HA PRO 21 HA PRO 21 -12.652 7.026 -7.351 130 HB2 PRO 21 1HB PRO 21 -10.084 7.550 -8.058 131 HB3 PRO 21 2HB PRO 21 -11.414 8.671 -8.372 132 HG2 PRO 21 1HG PRO 21 -9.392 8.701 -6.164 133 HG3 PRO 21 2HG PRO 21 -10.004 10.049 -7.140 134 HD2 PRO 21 1HD PRO 21 -10.896 9.541 -4.634 135 HD3 PRO 21 2HD PRO 21 -11.934 10.240 -5.894 136 H TRP 22 H TRP 22 -11.117 6.615 -4.418 137 HA TRP 22 HA TRP 22 -9.290 4.527 -5.090 138 HB2 TRP 22 1HB TRP 22 -10.501 5.452 -2.486 139 HB3 TRP 22 2HB TRP 22 -9.399 4.080 -2.577 140 HD1 TRP 22 HD TRP 22 -9.472 7.871 -2.689 141 HE1 TRP 22 1HE TRP 22 -7.057 8.761 -2.676 142 HE3 TRP 22 3HE TRP 22 -6.978 3.458 -3.354 143 HZ2 TRP 22 2HZ TRP 22 -4.440 7.729 -2.916 144 HZ3 TRP 22 3HZ TRP 22 -4.519 3.496 -3.452 145 HH2 TRP 22 HH TRP 22 -3.279 5.588 -3.238 146 H CYS 23 H CYS 23 -9.492 2.289 -4.611 147 HA CYS 23 HA CYS 23 -12.242 1.310 -4.285 148 HB2 CYS 23 1HB CYS 23 -10.261 0.255 -6.314 149 HB3 CYS 23 2HB CYS 23 -11.877 -0.377 -6.021 150 HG CYS 23 HG CYS 23 -11.035 2.600 -7.461 151 H VAL 24 H VAL 24 -12.364 -0.042 -2.630 152 HA VAL 24 HA VAL 24 -10.057 -1.023 -1.289 153 HB VAL 24 HB VAL 24 -12.923 -1.904 -0.925 154 HG11 VAL 24 1HG1 VAL 24 -10.394 -2.453 0.491 155 HG12 VAL 24 2HG1 VAL 24 -11.795 -2.101 1.505 156 HG13 VAL 24 3HG1 VAL 24 -11.853 -3.433 0.350 157 HG21 VAL 24 1HG2 VAL 24 -11.631 0.073 0.875 158 HG22 VAL 24 2HG2 VAL 24 -12.193 0.634 -0.700 159 HG23 VAL 24 3HG2 VAL 24 -13.327 -0.111 0.427 160 H VAL 25 H VAL 25 -8.844 -2.670 -1.922 161 HA VAL 25 HA VAL 25 -10.116 -4.880 -3.400 162 HB VAL 25 HB VAL 25 -7.185 -4.167 -3.432 163 HG11 VAL 25 1HG1 VAL 25 -7.037 -5.654 -5.299 164 HG12 VAL 25 2HG1 VAL 25 -7.851 -6.510 -3.988 165 HG13 VAL 25 3HG1 VAL 25 -8.787 -5.865 -5.337 166 HG21 VAL 25 1HG2 VAL 25 -9.450 -3.023 -4.903 167 HG22 VAL 25 2HG2 VAL 25 -7.836 -2.371 -4.617 168 HG23 VAL 25 3HG2 VAL 25 -8.099 -3.538 -5.914 169 H TRP 26 H TRP 26 -9.904 -6.934 -2.680 170 HA TRP 26 HA TRP 26 -8.539 -7.289 -0.103 171 HB2 TRP 26 1HB TRP 26 -10.850 -8.706 -1.409 172 HB3 TRP 26 2HB TRP 26 -9.965 -9.444 -0.078 173 HD1 TRP 26 HD TRP 26 -10.357 -8.470 2.349 174 HE1 TRP 26 1HE TRP 26 -12.098 -6.844 3.323 175 HE3 TRP 26 3HE TRP 26 -12.236 -6.583 -2.016 176 HZ2 TRP 26 2HZ TRP 26 -14.014 -5.005 2.367 177 HZ3 TRP 26 3HZ TRP 26 -14.022 -4.895 -1.898 178 HH2 TRP 26 HH TRP 26 -14.892 -4.123 0.249 179 H THR 27 H THR 27 -7.472 -9.373 0.283 180 HA THR 27 HA THR 27 -6.374 -10.567 -2.175 181 HB THR 27 HB THR 27 -4.210 -10.856 -0.839 182 HG1 THR 27 1HG THR 27 -5.038 -8.581 0.599 183 HG21 THR 27 1HG2 THR 27 -4.639 -9.209 -2.721 184 HG22 THR 27 2HG2 THR 27 -3.340 -8.789 -1.605 185 HG23 THR 27 3HG2 THR 27 -4.910 -7.996 -1.472 186 H GLY 28 H GLY 28 -5.270 -12.700 -1.719 187 HA2 GLY 28 1HA GLY 28 -7.110 -14.413 -0.376 188 HA3 GLY 28 2HA GLY 28 -5.588 -14.897 -1.109 189 H ASP 29 H ASP 29 -4.331 -12.706 0.668 190 HA ASP 29 HA ASP 29 -3.871 -14.495 2.927 191 HB2 ASP 29 1HB ASP 29 -2.063 -13.226 1.493 192 HB3 ASP 29 2HB ASP 29 -2.435 -11.892 2.582 193 H GLU 30 H GLU 30 -6.377 -13.454 3.053 194 HA GLU 30 HA GLU 30 -7.807 -12.065 4.206 195 HB2 GLU 30 1HB GLU 30 -5.831 -13.195 6.130 196 HB3 GLU 30 2HB GLU 30 -6.965 -11.991 6.725 197 HG2 GLU 30 1HG GLU 30 -8.018 -14.288 5.159 198 HG3 GLU 30 2HG GLU 30 -7.512 -14.553 6.827 199 H ARG 31 H ARG 31 -6.072 -10.495 2.745 200 HA ARG 31 HA ARG 31 -5.677 -8.217 4.566 201 HB2 ARG 31 1HB ARG 31 -3.791 -9.409 2.597 202 HB3 ARG 31 2HB ARG 31 -3.816 -7.656 2.738 203 HG2 ARG 31 1HG ARG 31 -3.627 -9.258 5.231 204 HG3 ARG 31 2HG ARG 31 -2.204 -9.145 4.194 205 HD2 ARG 31 1HD ARG 31 -2.064 -6.827 4.438 206 HD3 ARG 31 2HD ARG 31 -3.730 -6.695 5.000 207 HE ARG 31 HE ARG 31 -2.001 -8.210 6.740 208 HH11 ARG 31 2HH1 ARG 31 -3.245 -5.060 5.934 209 HH12 ARG 31 1HH1 ARG 31 -2.951 -4.398 7.508 210 HH21 ARG 31 2HH2 ARG 31 -1.609 -7.350 8.815 211 HH22 ARG 31 1HH2 ARG 31 -2.019 -5.701 9.146 212 H VAL 32 H VAL 32 -5.648 -6.105 3.411 213 HA VAL 32 HA VAL 32 -7.032 -6.072 0.846 214 HB VAL 32 HB VAL 32 -8.889 -6.094 2.393 215 HG11 VAL 32 1HG1 VAL 32 -8.390 -5.380 4.465 216 HG12 VAL 32 2HG1 VAL 32 -7.181 -4.231 3.889 217 HG13 VAL 32 3HG1 VAL 32 -8.892 -3.806 3.849 218 HG21 VAL 32 1HG2 VAL 32 -9.697 -4.756 0.784 219 HG22 VAL 32 2HG2 VAL 32 -9.509 -3.471 1.977 220 HG23 VAL 32 3HG2 VAL 32 -8.254 -3.741 0.768 221 H PHE 33 H PHE 33 -6.518 -4.338 -0.387 222 HA PHE 33 HA PHE 33 -5.000 -2.160 0.885 223 HB2 PHE 33 1HB PHE 33 -3.471 -2.100 -0.986 224 HB3 PHE 33 2HB PHE 33 -3.499 -3.734 -0.331 225 HD1 PHE 33 1HD PHE 33 -4.960 -5.457 -1.507 226 HD2 PHE 33 2HD PHE 33 -3.901 -1.716 -3.238 227 HE1 PHE 33 1HE PHE 33 -5.488 -6.345 -3.740 228 HE2 PHE 33 2HE PHE 33 -4.428 -2.597 -5.474 229 HZ PHE 33 HZ PHE 33 -5.224 -4.914 -5.727 230 H PHE 34 H PHE 34 -4.817 -0.228 -0.646 231 HA PHE 34 HA PHE 34 -7.472 0.243 -1.810 232 HB2 PHE 34 1HB PHE 34 -5.418 2.311 -1.016 233 HB3 PHE 34 2HB PHE 34 -7.107 2.590 -1.426 234 HD1 PHE 34 2HD PHE 34 -4.905 0.944 1.063 235 HD2 PHE 34 1HD PHE 34 -8.750 2.564 0.223 236 HE1 PHE 34 2HE PHE 34 -5.511 0.726 3.437 237 HE2 PHE 34 1HE PHE 34 -9.363 2.349 2.597 238 HZ PHE 34 HZ PHE 34 -7.743 1.428 4.207 239 H TYR 35 H TYR 35 -7.713 0.647 -3.922 240 HA TYR 35 HA TYR 35 -5.279 1.080 -5.526 241 HB2 TYR 35 1HB TYR 35 -6.047 -1.117 -6.028 242 HB3 TYR 35 2HB TYR 35 -7.721 -0.585 -6.134 243 HD1 TYR 35 1HD TYR 35 -4.444 0.278 -7.728 244 HD2 TYR 35 2HD TYR 35 -8.599 -0.472 -8.256 245 HE1 TYR 35 1HE TYR 35 -4.186 0.586 -10.154 246 HE2 TYR 35 2HE TYR 35 -8.352 -0.167 -10.684 247 HH TYR 35 HH TYR 35 -6.978 0.394 -12.338 248 H ASN 36 H ASN 36 -5.526 2.341 -7.455 249 HA ASN 36 HA ASN 36 -7.935 4.021 -7.536 250 HB2 ASN 36 1HB ASN 36 -6.018 5.165 -6.345 251 HB3 ASN 36 2HB ASN 36 -5.141 5.119 -7.872 252 HD21 ASN 36 1HD2 ASN 36 -6.857 7.068 -5.968 253 HD22 ASN 36 2HD2 ASN 36 -7.543 8.137 -7.140 254 HA PRO 37 HA PRO 37 -7.310 2.443 -11.747 255 HB2 PRO 37 1HB PRO 37 -9.903 2.782 -12.478 256 HB3 PRO 37 2HB PRO 37 -9.337 1.377 -11.565 257 HG2 PRO 37 1HG PRO 37 -10.699 3.854 -10.579 258 HG3 PRO 37 2HG PRO 37 -10.981 2.164 -10.121 259 HD2 PRO 37 1HD PRO 37 -9.519 3.862 -8.600 260 HD3 PRO 37 2HD PRO 37 -9.179 2.122 -8.685 261 H THR 38 H THR 38 -8.012 5.471 -10.472 262 HA THR 38 HA THR 38 -8.376 6.769 -13.060 263 HB THR 38 HB THR 38 -8.240 8.059 -10.330 264 HG1 THR 38 1HG THR 38 -10.507 7.233 -11.854 265 HG21 THR 38 1HG2 THR 38 -7.853 9.690 -12.013 266 HG22 THR 38 2HG2 THR 38 -9.547 9.852 -11.549 267 HG23 THR 38 3HG2 THR 38 -9.117 9.025 -13.046 268 H THR 39 H THR 39 -6.007 6.457 -10.486 269 HA THR 39 HA THR 39 -4.084 7.941 -12.157 270 HB THR 39 HB THR 39 -2.940 8.708 -10.196 271 HG1 THR 39 1HG THR 39 -4.719 6.966 -8.832 272 HG21 THR 39 1HG2 THR 39 -4.398 10.353 -9.667 273 HG22 THR 39 2HG2 THR 39 -5.673 9.219 -9.218 274 HG23 THR 39 3HG2 THR 39 -5.391 9.602 -10.916 275 H ARG 40 H ARG 40 -4.850 4.984 -11.789 276 HA ARG 40 HA ARG 40 -3.829 2.947 -11.577 277 HB2 ARG 40 1HB ARG 40 -1.587 4.565 -12.803 278 HB3 ARG 40 2HB ARG 40 -1.647 2.808 -12.754 279 HG2 ARG 40 1HG ARG 40 -3.961 3.185 -13.948 280 HG3 ARG 40 2HG ARG 40 -3.213 4.717 -14.405 281 HD2 ARG 40 1HD ARG 40 -2.871 2.950 -16.091 282 HD3 ARG 40 2HD ARG 40 -1.356 3.553 -15.420 283 HE ARG 40 HE ARG 40 -2.391 1.202 -14.110 284 HH11 ARG 40 2HH1 ARG 40 -0.394 2.432 -16.683 285 HH12 ARG 40 1HH1 ARG 40 0.555 0.988 -16.812 286 HH21 ARG 40 2HH2 ARG 40 -1.148 -0.704 -14.270 287 HH22 ARG 40 1HH2 ARG 40 0.125 -0.795 -15.439 288 H LEU 41 H LEU 41 -3.620 4.694 -9.246 289 HA LEU 41 HA LEU 41 -0.990 4.032 -8.155 290 HB2 LEU 41 1HB LEU 41 -2.283 6.305 -7.939 291 HB3 LEU 41 2HB LEU 41 -3.097 5.475 -6.614 292 HG LEU 41 HG LEU 41 -1.170 6.938 -5.951 293 HD11 LEU 41 1HD1 LEU 41 -0.840 5.647 -4.145 294 HD12 LEU 41 2HD1 LEU 41 -0.333 4.256 -5.103 295 HD13 LEU 41 3HD1 LEU 41 -2.049 4.603 -4.893 296 HD21 LEU 41 1HD2 LEU 41 0.137 5.818 -8.038 297 HD22 LEU 41 2HD2 LEU 41 0.759 4.850 -6.702 298 HD23 LEU 41 3HD2 LEU 41 0.933 6.605 -6.675 299 H SER 42 H SER 42 -0.657 2.503 -6.649 300 HA SER 42 HA SER 42 -2.964 1.318 -5.285 301 HB2 SER 42 1HB SER 42 -2.145 -0.956 -5.759 302 HB3 SER 42 2HB SER 42 -2.537 -0.096 -7.247 303 HG SER 42 HG SER 42 -0.430 -1.300 -7.061 304 H MET 43 H MET 43 -2.501 1.774 -3.225 305 HA MET 43 HA MET 43 0.250 1.361 -2.274 306 HB2 MET 43 1HB MET 43 -1.945 2.807 -0.799 307 HB3 MET 43 2HB MET 43 -0.214 2.871 -0.496 308 HG2 MET 43 1HG MET 43 -0.191 3.798 -2.974 309 HG3 MET 43 2HG MET 43 -1.838 4.257 -2.548 310 HE1 MET 43 1HE MET 43 -1.056 6.192 0.831 311 HE2 MET 43 2HE MET 43 -1.956 4.805 0.216 312 HE3 MET 43 3HE MET 43 -0.355 4.575 0.923 313 H TRP 44 H TRP 44 0.436 0.538 -0.006 314 HA TRP 44 HA TRP 44 -1.338 -1.765 0.304 315 HB2 TRP 44 1HB TRP 44 1.449 -1.125 1.126 316 HB3 TRP 44 2HB TRP 44 0.532 -2.217 2.161 317 HD1 TRP 44 HD TRP 44 2.656 -2.219 -0.853 318 HE1 TRP 44 1HE TRP 44 2.532 -4.493 -2.051 319 HE3 TRP 44 3HE TRP 44 -1.395 -4.189 1.565 320 HZ2 TRP 44 2HZ TRP 44 0.928 -6.815 -1.981 321 HZ3 TRP 44 3HZ TRP 44 -2.160 -6.443 0.940 322 HH2 TRP 44 HH TRP 44 -1.022 -7.727 -0.797 323 H ASP 45 H ASP 45 -0.781 1.309 1.634 324 HA ASP 45 HA ASP 45 -2.286 0.586 4.063 325 HB2 ASP 45 1HB ASP 45 -0.138 2.633 3.591 326 HB3 ASP 45 2HB ASP 45 -1.286 2.828 4.912 327 H ARG 46 H ARG 46 -3.340 2.766 4.964 328 HA ARG 46 HA ARG 46 -5.186 3.589 2.875 329 HB2 ARG 46 1HB ARG 46 -5.878 2.836 5.217 330 HB3 ARG 46 2HB ARG 46 -5.280 4.392 5.778 331 HG2 ARG 46 1HG ARG 46 -7.206 4.403 3.527 332 HG3 ARG 46 2HG ARG 46 -7.817 3.992 5.131 333 HD2 ARG 46 1HD ARG 46 -6.067 6.383 4.825 334 HD3 ARG 46 2HD ARG 46 -7.745 6.486 4.296 335 HE ARG 46 HE ARG 46 -6.780 6.278 7.017 336 HH11 ARG 46 2HH1 ARG 46 -9.495 6.010 4.853 337 HH12 ARG 46 1HH1 ARG 46 -10.677 6.220 6.102 338 HH21 ARG 46 2HH2 ARG 46 -8.328 6.555 8.669 339 HH22 ARG 46 1HH2 ARG 46 -10.012 6.531 8.272 340 HA PRO 47 HA PRO 47 -2.696 7.297 2.358 341 HB2 PRO 47 1HB PRO 47 -4.023 8.155 0.151 342 HB3 PRO 47 2HB PRO 47 -2.787 6.894 0.098 343 HG2 PRO 47 1HG PRO 47 -5.768 6.624 0.134 344 HG3 PRO 47 2HG PRO 47 -4.577 5.747 -0.844 345 HD2 PRO 47 1HD PRO 47 -5.700 4.687 1.380 346 HD3 PRO 47 2HD PRO 47 -4.042 4.305 0.873 347 H ASP 48 H ASP 48 -3.096 9.551 2.519 348 HA ASP 48 HA ASP 48 -5.065 10.323 4.315 349 HB2 ASP 48 1HB ASP 48 -3.196 11.760 2.502 350 HB3 ASP 48 2HB ASP 48 -4.534 12.687 3.177 351 H ASP 49 H ASP 49 -5.034 10.572 0.781 352 HA ASP 49 HA ASP 49 -7.194 12.057 0.189 353 HB2 ASP 49 1HB ASP 49 -6.381 9.409 -1.007 354 HB3 ASP 49 2HB ASP 49 -7.664 10.403 -1.690 355 H LEU 50 H LEU 50 -7.238 9.016 1.848 356 HA LEU 50 HA LEU 50 -10.177 8.972 1.762 357 HB2 LEU 50 1HB LEU 50 -8.148 6.838 2.374 358 HB3 LEU 50 2HB LEU 50 -9.869 6.641 2.702 359 HG LEU 50 HG LEU 50 -8.646 7.090 -0.021 360 HD11 LEU 50 1HD1 LEU 50 -8.074 4.924 0.313 361 HD12 LEU 50 2HD1 LEU 50 -9.748 4.669 -0.176 362 HD13 LEU 50 3HD1 LEU 50 -9.320 4.664 1.534 363 HD21 LEU 50 1HD2 LEU 50 -11.285 7.478 0.926 364 HD22 LEU 50 2HD2 LEU 50 -11.285 6.025 -0.073 365 HD23 LEU 50 3HD2 LEU 50 -10.694 7.550 -0.734 366 H ILE 51 H ILE 51 -7.404 9.204 3.861 367 HA ILE 51 HA ILE 51 -8.474 8.670 6.341 368 HB ILE 51 HB ILE 51 -6.495 10.829 5.607 369 HG12 ILE 51 1HG1 ILE 51 -6.116 8.015 6.653 370 HG13 ILE 51 2HG1 ILE 51 -5.786 8.557 5.011 371 HG21 ILE 51 1HG2 ILE 51 -7.843 10.551 8.011 372 HG22 ILE 51 2HG2 ILE 51 -6.292 9.761 8.291 373 HG23 ILE 51 3HG2 ILE 51 -6.342 11.437 7.744 374 HD11 ILE 51 1HD1 ILE 51 -3.800 9.406 5.570 375 HD12 ILE 51 2HD1 ILE 51 -4.405 10.092 7.078 376 HD13 ILE 51 3HD1 ILE 51 -3.952 8.390 7.003 377 H GLY 52 H GLY 52 -10.322 9.387 7.176 378 HA2 GLY 52 1HA GLY 52 -11.186 11.459 8.314 379 HA3 GLY 52 2HA GLY 52 -11.040 12.219 6.736 380 H ARG 53 H ARG 53 -11.962 9.776 5.353 381 HA ARG 53 HA ARG 53 -14.803 10.294 5.629 382 HB2 ARG 53 1HB ARG 53 -13.337 8.496 3.688 383 HB3 ARG 53 2HB ARG 53 -15.034 8.949 3.597 384 HG2 ARG 53 1HG ARG 53 -14.212 11.357 3.460 385 HG3 ARG 53 2HG ARG 53 -12.617 10.666 3.157 386 HD2 ARG 53 1HD ARG 53 -13.205 9.861 1.101 387 HD3 ARG 53 2HD ARG 53 -14.899 9.657 1.547 388 HE ARG 53 HE ARG 53 -13.690 11.973 0.372 389 HH11 ARG 53 2HH1 ARG 53 -16.290 10.845 2.395 390 HH12 ARG 53 1HH1 ARG 53 -17.320 12.194 2.046 391 HH21 ARG 53 2HH2 ARG 53 -15.037 13.753 -0.095 392 HH22 ARG 53 1HH2 ARG 53 -16.607 13.847 0.630 393 H ALA 54 H ALA 54 -16.350 8.822 6.233 394 HA ALA 54 HA ALA 54 -15.407 6.595 7.840 395 HB1 ALA 54 1HB ALA 54 -17.498 8.376 8.097 396 HB2 ALA 54 2HB ALA 54 -18.291 6.871 7.628 397 HB3 ALA 54 3HB ALA 54 -17.251 6.914 9.052 398 H ASP 55 H ASP 55 -17.185 7.159 4.868 399 HA ASP 55 HA ASP 55 -18.325 4.700 4.397 400 HB2 ASP 55 1HB ASP 55 -16.916 6.254 2.231 401 HB3 ASP 55 2HB ASP 55 -18.364 5.261 2.094 402 H VAL 56 H VAL 56 -15.038 5.716 3.463 403 HA VAL 56 HA VAL 56 -14.137 3.409 2.283 404 HB VAL 56 HB VAL 56 -12.756 5.381 2.316 405 HG11 VAL 56 1HG1 VAL 56 -12.051 4.972 5.190 406 HG12 VAL 56 2HG1 VAL 56 -11.907 6.422 4.194 407 HG13 VAL 56 3HG1 VAL 56 -13.492 5.893 4.760 408 HG21 VAL 56 1HG2 VAL 56 -10.704 4.086 3.650 409 HG22 VAL 56 2HG2 VAL 56 -11.780 2.780 3.152 410 HG23 VAL 56 3HG2 VAL 56 -11.132 3.896 1.950 411 H ASP 57 H ASP 57 -14.058 4.197 5.750 412 HA ASP 57 HA ASP 57 -12.831 1.830 6.616 413 HB2 ASP 57 1HB ASP 57 -14.738 3.694 8.040 414 HB3 ASP 57 2HB ASP 57 -13.874 2.381 8.835 415 H LYS 58 H LYS 58 -16.294 2.688 6.697 416 HA LYS 58 HA LYS 58 -17.444 0.451 7.637 417 HB2 LYS 58 1HB LYS 58 -18.718 2.387 6.835 418 HB3 LYS 58 2HB LYS 58 -18.355 1.947 5.171 419 HG2 LYS 58 1HG LYS 58 -19.522 -0.268 5.697 420 HG3 LYS 58 2HG LYS 58 -20.143 0.554 7.131 421 HD2 LYS 58 1HD LYS 58 -21.128 2.286 5.706 422 HD3 LYS 58 2HD LYS 58 -20.509 1.460 4.275 423 HE2 LYS 58 1HE LYS 58 -21.824 -0.579 5.276 424 HE3 LYS 58 2HE LYS 58 -22.725 0.683 6.114 425 HZ1 LYS 58 1HZ LYS 58 -23.340 -0.197 3.683 426 HZ2 LYS 58 2HZ LYS 58 -22.327 1.092 3.268 427 HZ3 LYS 58 3HZ LYS 58 -23.697 1.367 4.221 428 H ILE 59 H ILE 59 -16.720 0.854 4.164 429 HA ILE 59 HA ILE 59 -17.380 -1.639 3.256 430 HB ILE 59 HB ILE 59 -14.956 -0.073 2.366 431 HG12 ILE 59 1HG1 ILE 59 -17.832 0.061 1.433 432 HG13 ILE 59 2HG1 ILE 59 -16.979 1.308 2.337 433 HG21 ILE 59 1HG2 ILE 59 -16.426 -1.567 0.356 434 HG22 ILE 59 2HG2 ILE 59 -14.698 -1.535 0.704 435 HG23 ILE 59 3HG2 ILE 59 -15.762 -2.603 1.619 436 HD11 ILE 59 1HD1 ILE 59 -16.618 2.199 0.323 437 HD12 ILE 59 2HD1 ILE 59 -15.345 0.984 0.194 438 HD13 ILE 59 3HD1 ILE 59 -16.930 0.680 -0.516 439 H ILE 60 H ILE 60 -14.037 -0.724 4.113 440 HA ILE 60 HA ILE 60 -12.845 -3.175 4.010 441 HB ILE 60 HB ILE 60 -12.338 -0.988 6.028 442 HG12 ILE 60 1HG1 ILE 60 -10.590 -1.612 3.682 443 HG13 ILE 60 2HG1 ILE 60 -12.078 -0.710 3.417 444 HG21 ILE 60 1HG2 ILE 60 -10.047 -2.617 5.448 445 HG22 ILE 60 2HG2 ILE 60 -10.789 -2.244 7.003 446 HG23 ILE 60 3HG2 ILE 60 -11.366 -3.616 6.058 447 HD11 ILE 60 1HD1 ILE 60 -11.260 0.873 5.218 448 HD12 ILE 60 2HD1 ILE 60 -9.700 0.064 5.067 449 HD13 ILE 60 3HD1 ILE 60 -10.398 0.898 3.679 450 H GLN 61 H GLN 61 -14.710 -1.841 6.707 451 HA GLN 61 HA GLN 61 -14.246 -3.910 8.543 452 HB2 GLN 61 1HB GLN 61 -16.663 -2.116 8.259 453 HB3 GLN 61 2HB GLN 61 -16.300 -3.108 9.665 454 HG2 GLN 61 1HG GLN 61 -14.030 -1.772 9.591 455 HG3 GLN 61 2HG GLN 61 -15.024 -0.598 8.731 456 HE21 GLN 61 1HE2 GLN 61 -13.741 -0.591 11.424 457 HE22 GLN 61 2HE2 GLN 61 -15.017 -0.200 12.521 458 H GLU 62 H GLU 62 -16.736 -3.506 6.063 459 HA GLU 62 HA GLU 62 -17.505 -6.318 6.496 460 HB2 GLU 62 1HB GLU 62 -19.364 -4.948 7.122 461 HB3 GLU 62 2HB GLU 62 -19.203 -3.962 5.676 462 HG2 GLU 62 1HG GLU 62 -20.936 -5.265 5.030 463 HG3 GLU 62 2HG GLU 62 -19.607 -6.288 4.486 464 HA PRO 63 HA PRO 63 -15.699 -6.240 2.307 465 HB2 PRO 63 1HB PRO 63 -14.972 -8.855 2.354 466 HB3 PRO 63 2HB PRO 63 -13.991 -7.573 3.073 467 HG2 PRO 63 1HG PRO 63 -15.890 -9.472 4.395 468 HG3 PRO 63 2HG PRO 63 -14.281 -8.949 4.925 469 HD2 PRO 63 1HD PRO 63 -16.563 -7.910 5.949 470 HD3 PRO 63 2HD PRO 63 -15.073 -6.960 5.780 471 HA PRO 64 HA PRO 64 -19.236 -7.857 0.220 472 HB2 PRO 64 1HB PRO 64 -18.171 -8.134 -2.262 473 HB3 PRO 64 2HB PRO 64 -18.586 -6.564 -1.565 474 HG2 PRO 64 1HG PRO 64 -15.920 -7.914 -1.740 475 HG3 PRO 64 2HG PRO 64 -16.336 -6.216 -2.037 476 HD2 PRO 64 1HD PRO 64 -15.216 -7.058 0.280 477 HD3 PRO 64 2HD PRO 64 -16.354 -5.697 0.208 478 H HIS 65 H HIS 65 -16.163 -9.474 -0.609 479 HA HIS 65 HA HIS 65 -17.335 -11.910 -1.405 480 HB2 HIS 65 1HB HIS 65 -15.042 -12.842 -1.149 481 HB3 HIS 65 2HB HIS 65 -15.081 -11.352 -2.087 482 HD1 HIS 65 1HD HIS 65 -14.175 -12.593 1.369 483 HD2 HIS 65 2HD HIS 65 -13.499 -9.337 -1.121 484 HE1 HIS 65 1HE HIS 65 -12.427 -11.208 2.532 485 H LYS 66 H LYS 66 -15.773 -10.969 1.652 486 HA LYS 66 HA LYS 66 -16.672 -13.430 2.914 487 HB2 LYS 66 1HB LYS 66 -14.454 -12.759 3.487 488 HB3 LYS 66 2HB LYS 66 -14.977 -11.123 3.868 489 HG2 LYS 66 1HG LYS 66 -14.775 -11.961 5.970 490 HG3 LYS 66 2HG LYS 66 -16.459 -12.382 5.649 491 HD2 LYS 66 1HD LYS 66 -15.997 -14.617 5.414 492 HD3 LYS 66 2HD LYS 66 -14.338 -14.328 4.886 493 HE2 LYS 66 1HE LYS 66 -13.702 -13.726 7.154 494 HE3 LYS 66 2HE LYS 66 -15.367 -13.936 7.695 495 HZ1 LYS 66 1HZ LYS 66 -15.232 -16.206 7.525 496 HZ2 LYS 66 2HZ LYS 66 -13.655 -15.837 8.011 497 HZ3 LYS 66 3HZ LYS 66 -13.982 -16.174 6.386 498 H LYS 67 H LYS 67 -18.936 -13.076 2.849 499 HA LYS 67 HA LYS 67 -19.888 -11.028 4.744 500 HB2 LYS 67 1HB LYS 67 -20.963 -11.986 2.140 501 HB3 LYS 67 2HB LYS 67 -22.126 -11.568 3.391 502 HG2 LYS 67 1HG LYS 67 -21.131 -9.336 3.561 503 HG3 LYS 67 2HG LYS 67 -19.987 -9.759 2.285 504 HD2 LYS 67 1HD LYS 67 -21.685 -8.584 1.180 505 HD3 LYS 67 2HD LYS 67 -22.051 -10.281 0.862 506 HE2 LYS 67 1HE LYS 67 -24.123 -9.544 1.479 507 HE3 LYS 67 2HE LYS 67 -23.493 -10.020 3.056 508 HZ1 LYS 67 1HZ LYS 67 -24.534 -7.846 3.145 509 HZ2 LYS 67 2HZ LYS 67 -23.488 -7.263 1.950 510 HZ3 LYS 67 3HZ LYS 67 -22.877 -7.717 3.461 511 H SER 68 H SER 68 -21.379 -11.611 6.297 512 HA SER 68 HA SER 68 -22.296 -12.983 7.869 513 HB2 SER 68 1HB SER 68 -23.854 -13.300 5.896 514 HB3 SER 68 2HB SER 68 -22.976 -14.787 5.541 515 HG SER 68 HG SER 68 -24.855 -15.120 6.845 516 H GLY 69 H GLY 69 -19.613 -13.310 7.771 517 HA2 GLY 69 1HA GLY 69 -19.007 -16.151 7.553 518 HA3 GLY 69 2HA GLY 69 -17.862 -14.863 7.899 519 HA PRO 70 HA PRO 70 -17.860 -16.181 12.090 520 HB2 PRO 70 1HB PRO 70 -16.953 -13.908 13.264 521 HB3 PRO 70 2HB PRO 70 -15.916 -14.978 12.313 522 HG2 PRO 70 1HG PRO 70 -17.250 -12.423 11.504 523 HG3 PRO 70 2HG PRO 70 -15.602 -12.982 11.162 524 HD2 PRO 70 1HD PRO 70 -17.602 -13.148 9.345 525 HD3 PRO 70 2HD PRO 70 -16.285 -14.337 9.428 526 H SER 71 H SER 71 -19.630 -13.354 11.073 527 HA SER 71 HA SER 71 -20.913 -12.749 13.509 528 HB2 SER 71 1HB SER 71 -21.856 -12.277 10.670 529 HB3 SER 71 2HB SER 71 -22.544 -11.524 12.109 530 HG SER 71 HG SER 71 -20.524 -10.543 12.480 531 H SER 72 H SER 72 -22.067 -14.602 10.692 532 HA SER 72 HA SER 72 -24.530 -15.372 11.719 533 HB2 SER 72 1HB SER 72 -23.917 -15.708 9.373 534 HB3 SER 72 2HB SER 72 -22.719 -16.914 9.843 535 HG SER 72 HG SER 72 -24.363 -18.253 10.528 536 H GLY 73 H GLY 73 -21.565 -17.367 11.649 537 HA2 GLY 73 1HA GLY 73 -21.252 -18.199 14.146 538 HA3 GLY 73 2HA GLY 73 -22.702 -19.091 13.710 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.181 7.034 -7.046 2 HA2 GLY 1 1HA GLY 1 9.075 4.864 -7.431 3 HA3 GLY 1 2HA GLY 1 9.183 5.074 -5.689 4 H SER 2 H SER 2 8.287 2.960 -7.998 5 HA SER 2 HA SER 2 6.852 1.311 -6.143 6 HB2 SER 2 1HB SER 2 4.753 1.178 -7.236 7 HB3 SER 2 2HB SER 2 5.100 2.902 -7.115 8 HG SER 2 HG SER 2 6.068 2.521 -9.331 9 H SER 3 H SER 3 7.465 -0.711 -6.509 10 HA SER 3 HA SER 3 7.854 -1.668 -9.230 11 HB2 SER 3 1HB SER 3 10.064 -0.756 -8.517 12 HB3 SER 3 2HB SER 3 10.061 -1.894 -7.170 13 HG SER 3 HG SER 3 10.843 -2.314 -9.670 14 H GLY 4 H GLY 4 8.178 -4.033 -9.307 15 HA2 GLY 4 1HA GLY 4 6.590 -5.300 -7.195 16 HA3 GLY 4 2HA GLY 4 6.896 -5.960 -8.795 17 H SER 5 H SER 5 7.931 -5.814 -5.530 18 HA SER 5 HA SER 5 10.101 -7.701 -6.159 19 HB2 SER 5 1HB SER 5 11.544 -6.711 -4.543 20 HB3 SER 5 2HB SER 5 10.913 -5.378 -5.510 21 HG SER 5 HG SER 5 9.962 -6.206 -2.966 22 H SER 6 H SER 6 7.522 -8.496 -5.545 23 HA SER 6 HA SER 6 8.001 -9.969 -3.087 24 HB2 SER 6 1HB SER 6 5.870 -7.905 -3.396 25 HB3 SER 6 2HB SER 6 5.466 -9.381 -2.521 26 HG SER 6 HG SER 6 7.856 -8.101 -1.868 27 H GLY 7 H GLY 7 6.636 -11.828 -2.853 28 HA2 GLY 7 1HA GLY 7 6.293 -13.422 -4.999 29 HA3 GLY 7 2HA GLY 7 5.245 -13.526 -3.592 30 H LYS 8 H LYS 8 4.784 -13.884 -6.546 31 HA LYS 8 HA LYS 8 3.090 -11.738 -7.373 32 HB2 LYS 8 1HB LYS 8 3.575 -14.525 -8.403 33 HB3 LYS 8 2HB LYS 8 2.349 -13.483 -9.112 34 HG2 LYS 8 1HG LYS 8 4.006 -11.861 -9.733 35 HG3 LYS 8 2HG LYS 8 5.262 -12.761 -8.881 36 HD2 LYS 8 1HD LYS 8 5.511 -13.289 -11.175 37 HD3 LYS 8 2HD LYS 8 4.747 -14.694 -10.429 38 HE2 LYS 8 1HE LYS 8 3.468 -14.424 -12.326 39 HE3 LYS 8 2HE LYS 8 2.533 -13.518 -11.138 40 HZ1 LYS 8 1HZ LYS 8 4.555 -12.013 -12.583 41 HZ2 LYS 8 2HZ LYS 8 2.985 -11.568 -12.138 42 HZ3 LYS 8 3HZ LYS 8 3.234 -12.537 -13.502 43 H ALA 9 H ALA 9 1.256 -11.307 -6.332 44 HA ALA 9 HA ALA 9 -0.491 -13.568 -5.600 45 HB1 ALA 9 1HB ALA 9 0.595 -12.064 -3.754 46 HB2 ALA 9 2HB ALA 9 -0.695 -10.946 -4.196 47 HB3 ALA 9 3HB ALA 9 -1.091 -12.566 -3.622 48 H LYS 10 H LYS 10 -2.836 -12.922 -5.455 49 HA LYS 10 HA LYS 10 -3.554 -10.818 -7.367 50 HB2 LYS 10 1HB LYS 10 -4.541 -13.674 -7.462 51 HB3 LYS 10 2HB LYS 10 -5.222 -12.354 -8.404 52 HG2 LYS 10 1HG LYS 10 -2.308 -12.975 -8.597 53 HG3 LYS 10 2HG LYS 10 -3.486 -13.950 -9.480 54 HD2 LYS 10 1HD LYS 10 -4.397 -11.697 -10.328 55 HD3 LYS 10 2HD LYS 10 -2.865 -11.027 -9.764 56 HE2 LYS 10 1HE LYS 10 -2.580 -11.541 -12.061 57 HE3 LYS 10 2HE LYS 10 -1.715 -12.781 -11.156 58 HZ1 LYS 10 1HZ LYS 10 -4.496 -13.306 -11.903 59 HZ2 LYS 10 2HZ LYS 10 -3.202 -14.382 -11.743 60 HZ3 LYS 10 3HZ LYS 10 -3.319 -13.399 -13.115 61 HA PRO 11 HA PRO 11 -6.587 -9.815 -4.339 62 HB2 PRO 11 1HB PRO 11 -8.315 -8.423 -5.902 63 HB3 PRO 11 2HB PRO 11 -6.750 -7.780 -5.393 64 HG2 PRO 11 1HG PRO 11 -7.523 -9.042 -7.995 65 HG3 PRO 11 2HG PRO 11 -6.529 -7.603 -7.701 66 HD2 PRO 11 1HD PRO 11 -5.457 -10.023 -8.273 67 HD3 PRO 11 2HD PRO 11 -4.650 -8.847 -7.217 68 H VAL 12 H VAL 12 -8.646 -10.398 -3.629 69 HA VAL 12 HA VAL 12 -9.866 -12.604 -5.120 70 HB VAL 12 HB VAL 12 -11.056 -13.121 -3.028 71 HG11 VAL 12 1HG1 VAL 12 -8.921 -14.184 -3.437 72 HG12 VAL 12 2HG1 VAL 12 -8.070 -12.806 -2.737 73 HG13 VAL 12 3HG1 VAL 12 -9.087 -13.825 -1.718 74 HG21 VAL 12 1HG2 VAL 12 -9.561 -10.722 -1.988 75 HG22 VAL 12 2HG2 VAL 12 -11.307 -10.964 -2.043 76 HG23 VAL 12 3HG2 VAL 12 -10.317 -11.929 -0.948 77 H ALA 13 H ALA 13 -10.706 -9.541 -3.552 78 HA ALA 13 HA ALA 13 -13.067 -9.379 -5.281 79 HB1 ALA 13 1HB ALA 13 -13.859 -10.215 -3.129 80 HB2 ALA 13 2HB ALA 13 -13.119 -8.836 -2.315 81 HB3 ALA 13 3HB ALA 13 -14.455 -8.584 -3.438 82 H THR 14 H THR 14 -13.797 -7.246 -5.702 83 HA THR 14 HA THR 14 -12.084 -5.060 -4.775 84 HB THR 14 HB THR 14 -12.730 -5.421 -7.704 85 HG1 THR 14 1HG THR 14 -11.068 -6.717 -7.755 86 HG21 THR 14 1HG2 THR 14 -10.489 -3.779 -7.297 87 HG22 THR 14 2HG2 THR 14 -11.695 -3.253 -6.123 88 HG23 THR 14 3HG2 THR 14 -12.093 -3.290 -7.841 89 H ALA 15 H ALA 15 -13.213 -3.287 -4.281 90 HA ALA 15 HA ALA 15 -15.818 -2.840 -5.545 91 HB1 ALA 15 1HB ALA 15 -16.867 -2.355 -3.394 92 HB2 ALA 15 2HB ALA 15 -16.283 -4.018 -3.460 93 HB3 ALA 15 3HB ALA 15 -15.377 -2.801 -2.562 94 HA PRO 16 HA PRO 16 -14.077 1.230 -5.835 95 HB2 PRO 16 1HB PRO 16 -16.285 2.447 -6.841 96 HB3 PRO 16 2HB PRO 16 -15.236 1.407 -7.811 97 HG2 PRO 16 1HG PRO 16 -17.845 0.764 -6.492 98 HG3 PRO 16 2HG PRO 16 -17.271 0.322 -8.111 99 HD2 PRO 16 1HD PRO 16 -17.213 -1.403 -6.024 100 HD3 PRO 16 2HD PRO 16 -15.999 -1.430 -7.319 101 H ILE 17 H ILE 17 -13.911 2.845 -4.402 102 HA ILE 17 HA ILE 17 -15.712 2.938 -2.153 103 HB ILE 17 HB ILE 17 -13.273 4.577 -2.840 104 HG12 ILE 17 1HG1 ILE 17 -13.823 2.218 -1.065 105 HG13 ILE 17 2HG1 ILE 17 -12.537 2.438 -2.248 106 HG21 ILE 17 1HG2 ILE 17 -14.952 5.841 -1.495 107 HG22 ILE 17 2HG2 ILE 17 -14.808 4.603 -0.248 108 HG23 ILE 17 3HG2 ILE 17 -13.410 5.589 -0.677 109 HD11 ILE 17 1HD1 ILE 17 -12.750 3.840 0.406 110 HD12 ILE 17 2HD1 ILE 17 -11.675 2.497 0.019 111 HD13 ILE 17 3HD1 ILE 17 -11.460 4.055 -0.778 112 HA PRO 18 HA PRO 18 -18.391 6.044 -3.805 113 HB2 PRO 18 1HB PRO 18 -19.611 6.729 -1.479 114 HB3 PRO 18 2HB PRO 18 -19.966 5.229 -2.344 115 HG2 PRO 18 1HG PRO 18 -18.190 5.675 0.024 116 HG3 PRO 18 2HG PRO 18 -19.350 4.368 -0.274 117 HD2 PRO 18 1HD PRO 18 -16.685 4.065 -0.647 118 HD3 PRO 18 2HD PRO 18 -17.891 3.213 -1.634 119 H GLY 19 H GLY 19 -17.996 8.110 -4.290 120 HA2 GLY 19 1HA GLY 19 -17.585 10.377 -3.852 121 HA3 GLY 19 2HA GLY 19 -17.036 9.942 -2.239 122 H THR 20 H THR 20 -15.063 8.142 -2.701 123 HA THR 20 HA THR 20 -13.038 9.820 -3.990 124 HB THR 20 HB THR 20 -11.458 8.934 -2.584 125 HG1 THR 20 1HG THR 20 -12.989 6.591 -2.800 126 HG21 THR 20 1HG2 THR 20 -12.990 9.992 -1.101 127 HG22 THR 20 2HG2 THR 20 -12.505 8.482 -0.330 128 HG23 THR 20 3HG2 THR 20 -14.074 8.602 -1.125 129 HA PRO 21 HA PRO 21 -12.575 7.109 -7.425 130 HB2 PRO 21 1HB PRO 21 -9.991 7.635 -8.071 131 HB3 PRO 21 2HB PRO 21 -11.309 8.771 -8.381 132 HG2 PRO 21 1HG PRO 21 -9.328 8.735 -6.137 133 HG3 PRO 21 2HG PRO 21 -9.914 10.111 -7.089 134 HD2 PRO 21 1HD PRO 21 -10.855 9.546 -4.613 135 HD3 PRO 21 2HD PRO 21 -11.865 10.282 -5.874 136 H TRP 22 H TRP 22 -11.156 6.585 -4.470 137 HA TRP 22 HA TRP 22 -9.302 4.518 -5.154 138 HB2 TRP 22 1HB TRP 22 -10.585 5.358 -2.556 139 HB3 TRP 22 2HB TRP 22 -9.470 3.999 -2.664 140 HD1 TRP 22 HD TRP 22 -9.571 7.788 -2.638 141 HE1 TRP 22 1HE TRP 22 -7.164 8.695 -2.537 142 HE3 TRP 22 3HE TRP 22 -7.025 3.424 -3.416 143 HZ2 TRP 22 2HZ TRP 22 -4.535 7.693 -2.759 144 HZ3 TRP 22 3HZ TRP 22 -4.566 3.484 -3.458 145 HH2 TRP 22 HH TRP 22 -3.348 5.576 -3.136 146 H CYS 23 H CYS 23 -9.530 2.259 -4.593 147 HA CYS 23 HA CYS 23 -12.290 1.290 -4.424 148 HB2 CYS 23 1HB CYS 23 -10.268 0.251 -6.419 149 HB3 CYS 23 2HB CYS 23 -11.908 -0.344 -6.195 150 HG CYS 23 HG CYS 23 -10.956 2.661 -7.508 151 H VAL 24 H VAL 24 -12.384 0.059 -2.674 152 HA VAL 24 HA VAL 24 -10.140 -1.010 -1.349 153 HB VAL 24 HB VAL 24 -13.025 -1.864 -1.067 154 HG11 VAL 24 1HG1 VAL 24 -10.537 -2.505 0.393 155 HG12 VAL 24 2HG1 VAL 24 -11.967 -2.178 1.374 156 HG13 VAL 24 3HG1 VAL 24 -12.000 -3.463 0.166 157 HG21 VAL 24 1HG2 VAL 24 -11.473 0.429 0.067 158 HG22 VAL 24 2HG2 VAL 24 -13.095 0.411 -0.625 159 HG23 VAL 24 3HG2 VAL 24 -12.811 -0.278 0.973 160 H VAL 25 H VAL 25 -8.896 -2.599 -2.079 161 HA VAL 25 HA VAL 25 -10.164 -4.837 -3.518 162 HB VAL 25 HB VAL 25 -7.286 -3.936 -3.690 163 HG11 VAL 25 1HG1 VAL 25 -8.809 -6.226 -4.805 164 HG12 VAL 25 2HG1 VAL 25 -7.597 -5.462 -5.836 165 HG13 VAL 25 3HG1 VAL 25 -7.131 -6.133 -4.273 166 HG21 VAL 25 1HG2 VAL 25 -9.633 -3.472 -5.516 167 HG22 VAL 25 2HG2 VAL 25 -8.604 -2.266 -4.744 168 HG23 VAL 25 3HG2 VAL 25 -7.957 -3.283 -6.031 169 H TRP 26 H TRP 26 -10.021 -6.823 -2.680 170 HA TRP 26 HA TRP 26 -8.395 -7.169 -0.259 171 HB2 TRP 26 1HB TRP 26 -10.825 -8.641 -1.282 172 HB3 TRP 26 2HB TRP 26 -9.874 -9.195 0.093 173 HD1 TRP 26 HD TRP 26 -10.155 -7.900 2.383 174 HE1 TRP 26 1HE TRP 26 -11.863 -6.162 3.212 175 HE3 TRP 26 3HE TRP 26 -12.260 -6.629 -2.099 176 HZ2 TRP 26 2HZ TRP 26 -13.841 -4.475 2.112 177 HZ3 TRP 26 3HZ TRP 26 -14.055 -4.945 -2.124 178 HH2 TRP 26 HH TRP 26 -14.827 -3.892 -0.061 179 H THR 27 H THR 27 -7.414 -9.322 0.077 180 HA THR 27 HA THR 27 -6.568 -10.562 -2.459 181 HB THR 27 HB THR 27 -4.339 -10.975 -1.370 182 HG1 THR 27 1HG THR 27 -4.898 -10.593 0.793 183 HG21 THR 27 1HG2 THR 27 -4.857 -9.096 -2.996 184 HG22 THR 27 2HG2 THR 27 -3.446 -8.863 -1.965 185 HG23 THR 27 3HG2 THR 27 -4.957 -8.036 -1.591 186 H GLY 28 H GLY 28 -5.246 -12.695 -1.788 187 HA2 GLY 28 1HA GLY 28 -7.220 -14.380 -0.536 188 HA3 GLY 28 2HA GLY 28 -5.701 -14.901 -1.249 189 H ASP 29 H ASP 29 -4.383 -12.749 0.505 190 HA ASP 29 HA ASP 29 -3.991 -14.519 2.786 191 HB2 ASP 29 1HB ASP 29 -2.162 -13.254 1.348 192 HB3 ASP 29 2HB ASP 29 -2.503 -11.948 2.480 193 H GLU 30 H GLU 30 -6.481 -13.422 2.872 194 HA GLU 30 HA GLU 30 -7.896 -12.003 4.007 195 HB2 GLU 30 1HB GLU 30 -5.931 -13.066 6.006 196 HB3 GLU 30 2HB GLU 30 -7.193 -11.957 6.522 197 HG2 GLU 30 1HG GLU 30 -8.902 -13.468 5.754 198 HG3 GLU 30 2HG GLU 30 -7.685 -14.552 5.083 199 H ARG 31 H ARG 31 -5.980 -10.522 2.581 200 HA ARG 31 HA ARG 31 -5.588 -8.234 4.396 201 HB2 ARG 31 1HB ARG 31 -3.737 -9.478 2.428 202 HB3 ARG 31 2HB ARG 31 -3.718 -7.724 2.558 203 HG2 ARG 31 1HG ARG 31 -3.435 -9.517 4.949 204 HG3 ARG 31 2HG ARG 31 -2.056 -8.995 3.979 205 HD2 ARG 31 1HD ARG 31 -2.626 -6.661 4.420 206 HD3 ARG 31 2HD ARG 31 -4.018 -7.176 5.372 207 HE ARG 31 HE ARG 31 -1.630 -8.332 6.369 208 HH11 ARG 31 2HH1 ARG 31 -3.411 -5.343 6.261 209 HH12 ARG 31 1HH1 ARG 31 -2.755 -4.746 7.750 210 HH21 ARG 31 2HH2 ARG 31 -0.759 -7.558 8.330 211 HH22 ARG 31 1HH2 ARG 31 -1.246 -6.007 8.925 212 H VAL 32 H VAL 32 -5.691 -6.127 3.380 213 HA VAL 32 HA VAL 32 -7.002 -6.039 0.765 214 HB VAL 32 HB VAL 32 -8.860 -6.071 2.315 215 HG11 VAL 32 1HG1 VAL 32 -7.154 -4.197 3.814 216 HG12 VAL 32 2HG1 VAL 32 -8.877 -3.818 3.802 217 HG13 VAL 32 3HG1 VAL 32 -8.322 -5.384 4.394 218 HG21 VAL 32 1HG2 VAL 32 -9.557 -3.511 1.915 219 HG22 VAL 32 2HG2 VAL 32 -8.204 -3.627 0.789 220 HG23 VAL 32 3HG2 VAL 32 -9.574 -4.728 0.638 221 H PHE 33 H PHE 33 -6.489 -4.277 -0.434 222 HA PHE 33 HA PHE 33 -4.954 -2.134 0.876 223 HB2 PHE 33 1HB PHE 33 -3.425 -2.052 -1.007 224 HB3 PHE 33 2HB PHE 33 -3.442 -3.682 -0.340 225 HD1 PHE 33 1HD PHE 33 -4.667 -5.483 -1.532 226 HD2 PHE 33 2HD PHE 33 -4.078 -1.627 -3.234 227 HE1 PHE 33 1HE PHE 33 -5.186 -6.391 -3.760 228 HE2 PHE 33 2HE PHE 33 -4.597 -2.528 -5.464 229 HZ PHE 33 HZ PHE 33 -5.153 -4.912 -5.729 230 H PHE 34 H PHE 34 -4.778 -0.163 -0.568 231 HA PHE 34 HA PHE 34 -7.420 0.349 -1.733 232 HB2 PHE 34 1HB PHE 34 -5.308 2.377 -0.986 233 HB3 PHE 34 2HB PHE 34 -7.003 2.685 -1.351 234 HD1 PHE 34 2HD PHE 34 -4.760 1.010 1.080 235 HD2 PHE 34 1HD PHE 34 -8.605 2.679 0.341 236 HE1 PHE 34 2HE PHE 34 -5.305 0.802 3.470 237 HE2 PHE 34 1HE PHE 34 -9.156 2.475 2.730 238 HZ PHE 34 HZ PHE 34 -7.506 1.534 4.298 239 H TYR 35 H TYR 35 -7.684 0.688 -3.845 240 HA TYR 35 HA TYR 35 -5.274 1.091 -5.493 241 HB2 TYR 35 1HB TYR 35 -6.079 -1.084 -5.992 242 HB3 TYR 35 2HB TYR 35 -7.752 -0.541 -6.028 243 HD1 TYR 35 1HD TYR 35 -4.538 0.304 -7.753 244 HD2 TYR 35 2HD TYR 35 -8.716 -0.415 -8.112 245 HE1 TYR 35 1HE TYR 35 -4.376 0.617 -10.187 246 HE2 TYR 35 2HE TYR 35 -8.566 -0.105 -10.547 247 HH TYR 35 HH TYR 35 -5.714 1.118 -12.071 248 H ASN 36 H ASN 36 -5.509 2.372 -7.397 249 HA ASN 36 HA ASN 36 -7.903 4.069 -7.487 250 HB2 ASN 36 1HB ASN 36 -6.028 5.206 -6.242 251 HB3 ASN 36 2HB ASN 36 -5.095 5.159 -7.735 252 HD21 ASN 36 1HD2 ASN 36 -6.795 7.148 -5.899 253 HD22 ASN 36 2HD2 ASN 36 -7.458 8.211 -7.089 254 HA PRO 37 HA PRO 37 -7.197 2.549 -11.707 255 HB2 PRO 37 1HB PRO 37 -9.775 2.898 -12.483 256 HB3 PRO 37 2HB PRO 37 -9.227 1.481 -11.579 257 HG2 PRO 37 1HG PRO 37 -10.608 3.944 -10.586 258 HG3 PRO 37 2HG PRO 37 -10.899 2.248 -10.156 259 HD2 PRO 37 1HD PRO 37 -9.467 3.925 -8.584 260 HD3 PRO 37 2HD PRO 37 -9.125 2.186 -8.686 261 H THR 38 H THR 38 -7.890 5.558 -10.402 262 HA THR 38 HA THR 38 -8.229 6.896 -12.974 263 HB THR 38 HB THR 38 -8.070 8.183 -10.246 264 HG1 THR 38 1HG THR 38 -10.445 8.188 -10.520 265 HG21 THR 38 1HG2 THR 38 -8.550 9.125 -12.988 266 HG22 THR 38 2HG2 THR 38 -7.984 10.006 -11.568 267 HG23 THR 38 3HG2 THR 38 -9.708 9.710 -11.794 268 H THR 39 H THR 39 -5.889 6.570 -10.366 269 HA THR 39 HA THR 39 -3.934 8.025 -12.027 270 HB THR 39 HB THR 39 -2.815 8.812 -10.063 271 HG1 THR 39 1HG THR 39 -4.751 7.551 -8.419 272 HG21 THR 39 1HG2 THR 39 -5.549 9.340 -9.105 273 HG22 THR 39 2HG2 THR 39 -5.268 9.692 -10.810 274 HG23 THR 39 3HG2 THR 39 -4.275 10.464 -9.575 275 H ARG 40 H ARG 40 -4.724 5.077 -11.636 276 HA ARG 40 HA ARG 40 -3.719 3.036 -11.363 277 HB2 ARG 40 1HB ARG 40 -1.386 4.530 -12.574 278 HB3 ARG 40 2HB ARG 40 -1.651 2.793 -12.620 279 HG2 ARG 40 1HG ARG 40 -3.807 3.309 -13.863 280 HG3 ARG 40 2HG ARG 40 -3.174 4.947 -14.045 281 HD2 ARG 40 1HD ARG 40 -1.822 2.415 -14.973 282 HD3 ARG 40 2HD ARG 40 -2.679 3.562 -16.002 283 HE ARG 40 HE ARG 40 -0.631 4.862 -14.537 284 HH11 ARG 40 2HH1 ARG 40 -1.157 2.741 -17.247 285 HH12 ARG 40 1HH1 ARG 40 0.280 3.234 -18.079 286 HH21 ARG 40 2HH2 ARG 40 1.265 5.519 -15.623 287 HH22 ARG 40 1HH2 ARG 40 1.658 4.813 -17.154 288 H LEU 41 H LEU 41 -3.518 4.770 -9.056 289 HA LEU 41 HA LEU 41 -0.878 4.105 -7.971 290 HB2 LEU 41 1HB LEU 41 -1.996 6.436 -7.831 291 HB3 LEU 41 2HB LEU 41 -2.963 5.715 -6.546 292 HG LEU 41 HG LEU 41 -1.082 6.992 -5.655 293 HD11 LEU 41 1HD1 LEU 41 -0.488 4.087 -5.202 294 HD12 LEU 41 2HD1 LEU 41 -1.968 4.837 -4.604 295 HD13 LEU 41 3HD1 LEU 41 -0.398 5.428 -4.060 296 HD21 LEU 41 1HD2 LEU 41 0.323 5.836 -7.792 297 HD22 LEU 41 2HD2 LEU 41 1.049 5.192 -6.319 298 HD23 LEU 41 3HD2 LEU 41 0.942 6.937 -6.562 299 H SER 42 H SER 42 -0.600 2.538 -6.514 300 HA SER 42 HA SER 42 -2.930 1.525 -5.046 301 HB2 SER 42 1HB SER 42 -2.122 -0.809 -5.447 302 HB3 SER 42 2HB SER 42 -2.681 0.003 -6.909 303 HG SER 42 HG SER 42 -0.074 -0.667 -6.123 304 H MET 43 H MET 43 -2.484 1.754 -2.964 305 HA MET 43 HA MET 43 0.289 1.339 -2.062 306 HB2 MET 43 1HB MET 43 -1.774 2.830 -0.471 307 HB3 MET 43 2HB MET 43 -0.021 2.933 -0.375 308 HG2 MET 43 1HG MET 43 -0.243 3.840 -2.817 309 HG3 MET 43 2HG MET 43 -1.892 4.197 -2.312 310 HE1 MET 43 1HE MET 43 -0.772 6.192 1.085 311 HE2 MET 43 2HE MET 43 -2.021 5.129 0.438 312 HE3 MET 43 3HE MET 43 -0.473 4.459 0.955 313 H TRP 44 H TRP 44 0.537 0.429 0.118 314 HA TRP 44 HA TRP 44 -1.313 -1.787 0.486 315 HB2 TRP 44 1HB TRP 44 1.473 -1.177 1.332 316 HB3 TRP 44 2HB TRP 44 0.531 -2.245 2.368 317 HD1 TRP 44 HD TRP 44 2.541 -2.224 -0.778 318 HE1 TRP 44 1HE TRP 44 2.453 -4.542 -1.893 319 HE3 TRP 44 3HE TRP 44 -1.218 -4.313 1.988 320 HZ2 TRP 44 2HZ TRP 44 0.984 -6.939 -1.635 321 HZ3 TRP 44 3HZ TRP 44 -1.905 -6.623 1.489 322 HH2 TRP 44 HH TRP 44 -0.826 -7.907 -0.285 323 H ASP 45 H ASP 45 -0.869 1.310 1.711 324 HA ASP 45 HA ASP 45 -2.385 0.625 4.145 325 HB2 ASP 45 1HB ASP 45 -0.021 1.448 4.530 326 HB3 ASP 45 2HB ASP 45 -0.535 2.995 3.862 327 H ARG 46 H ARG 46 -3.574 2.645 5.004 328 HA ARG 46 HA ARG 46 -5.260 3.585 2.852 329 HB2 ARG 46 1HB ARG 46 -6.118 2.803 5.096 330 HB3 ARG 46 2HB ARG 46 -5.450 4.277 5.784 331 HG2 ARG 46 1HG ARG 46 -7.280 4.536 3.464 332 HG3 ARG 46 2HG ARG 46 -7.972 4.100 5.028 333 HD2 ARG 46 1HD ARG 46 -6.094 6.422 4.729 334 HD3 ARG 46 2HD ARG 46 -7.823 6.589 4.424 335 HE ARG 46 HE ARG 46 -6.527 6.233 6.986 336 HH11 ARG 46 2HH1 ARG 46 -9.501 6.113 5.180 337 HH12 ARG 46 1HH1 ARG 46 -10.509 6.285 6.578 338 HH21 ARG 46 2HH2 ARG 46 -7.844 6.459 8.835 339 HH22 ARG 46 1HH2 ARG 46 -9.566 6.483 8.656 340 HA PRO 47 HA PRO 47 -2.745 7.286 2.485 341 HB2 PRO 47 1HB PRO 47 -4.036 8.228 0.291 342 HB3 PRO 47 2HB PRO 47 -2.817 6.951 0.213 343 HG2 PRO 47 1HG PRO 47 -5.802 6.723 0.210 344 HG3 PRO 47 2HG PRO 47 -4.613 5.858 -0.782 345 HD2 PRO 47 1HD PRO 47 -5.775 4.749 1.398 346 HD3 PRO 47 2HD PRO 47 -4.117 4.359 0.897 347 H ASP 48 H ASP 48 -3.143 9.567 2.615 348 HA ASP 48 HA ASP 48 -5.098 10.315 4.452 349 HB2 ASP 48 1HB ASP 48 -3.226 11.773 2.657 350 HB3 ASP 48 2HB ASP 48 -4.552 12.694 3.360 351 H ASP 49 H ASP 49 -5.066 10.630 0.923 352 HA ASP 49 HA ASP 49 -7.219 12.138 0.360 353 HB2 ASP 49 1HB ASP 49 -6.215 9.608 -0.884 354 HB3 ASP 49 2HB ASP 49 -7.720 10.311 -1.472 355 H LEU 50 H LEU 50 -7.282 9.019 1.897 356 HA LEU 50 HA LEU 50 -10.217 8.991 1.815 357 HB2 LEU 50 1HB LEU 50 -8.200 6.858 2.478 358 HB3 LEU 50 2HB LEU 50 -9.934 6.658 2.717 359 HG LEU 50 HG LEU 50 -8.578 7.132 0.063 360 HD11 LEU 50 1HD1 LEU 50 -8.575 4.820 1.523 361 HD12 LEU 50 2HD1 LEU 50 -8.430 4.923 -0.231 362 HD13 LEU 50 3HD1 LEU 50 -10.004 4.624 0.507 363 HD21 LEU 50 1HD2 LEU 50 -11.080 6.127 -0.412 364 HD22 LEU 50 2HD2 LEU 50 -10.619 7.826 -0.534 365 HD23 LEU 50 3HD2 LEU 50 -11.360 7.216 0.947 366 H ILE 51 H ILE 51 -7.477 9.268 3.940 367 HA ILE 51 HA ILE 51 -8.562 8.700 6.410 368 HB ILE 51 HB ILE 51 -6.589 10.859 5.667 369 HG12 ILE 51 1HG1 ILE 51 -6.224 8.104 6.867 370 HG13 ILE 51 2HG1 ILE 51 -5.879 8.548 5.200 371 HG21 ILE 51 1HG2 ILE 51 -6.299 10.026 8.367 372 HG22 ILE 51 2HG2 ILE 51 -6.666 11.633 7.742 373 HG23 ILE 51 3HG2 ILE 51 -7.975 10.512 8.114 374 HD11 ILE 51 1HD1 ILE 51 -4.298 10.302 6.290 375 HD12 ILE 51 2HD1 ILE 51 -4.397 9.232 7.688 376 HD13 ILE 51 3HD1 ILE 51 -3.795 8.618 6.149 377 H GLY 52 H GLY 52 -10.440 9.377 7.210 378 HA2 GLY 52 1HA GLY 52 -11.361 11.418 8.355 379 HA3 GLY 52 2HA GLY 52 -11.187 12.206 6.794 380 H ARG 53 H ARG 53 -12.040 9.722 5.389 381 HA ARG 53 HA ARG 53 -14.891 10.229 5.567 382 HB2 ARG 53 1HB ARG 53 -13.373 8.406 3.692 383 HB3 ARG 53 2HB ARG 53 -15.056 8.890 3.536 384 HG2 ARG 53 1HG ARG 53 -14.184 11.281 3.411 385 HG3 ARG 53 2HG ARG 53 -12.592 10.557 3.170 386 HD2 ARG 53 1HD ARG 53 -13.126 9.737 1.103 387 HD3 ARG 53 2HD ARG 53 -14.841 9.587 1.487 388 HE ARG 53 HE ARG 53 -13.499 11.887 0.389 389 HH11 ARG 53 2HH1 ARG 53 -16.288 10.734 2.124 390 HH12 ARG 53 1HH1 ARG 53 -17.284 12.079 1.677 391 HH21 ARG 53 2HH2 ARG 53 -14.800 13.663 -0.206 392 HH22 ARG 53 1HH2 ARG 53 -16.437 13.744 0.350 393 H ALA 54 H ALA 54 -16.461 8.698 6.034 394 HA ALA 54 HA ALA 54 -15.589 6.558 7.785 395 HB1 ALA 54 1HB ALA 54 -18.388 7.402 7.046 396 HB2 ALA 54 2HB ALA 54 -17.927 6.320 8.361 397 HB3 ALA 54 3HB ALA 54 -17.467 8.022 8.416 398 H ASP 55 H ASP 55 -17.479 6.880 4.792 399 HA ASP 55 HA ASP 55 -18.253 4.326 4.303 400 HB2 ASP 55 1HB ASP 55 -16.960 5.765 2.031 401 HB3 ASP 55 2HB ASP 55 -18.503 4.917 2.090 402 H VAL 56 H VAL 56 -15.090 5.654 3.324 403 HA VAL 56 HA VAL 56 -13.897 3.496 2.208 404 HB VAL 56 HB VAL 56 -12.715 5.589 2.406 405 HG11 VAL 56 1HG1 VAL 56 -13.605 5.852 4.861 406 HG12 VAL 56 2HG1 VAL 56 -12.058 5.110 5.273 407 HG13 VAL 56 3HG1 VAL 56 -12.098 6.620 4.361 408 HG21 VAL 56 1HG2 VAL 56 -11.394 3.182 3.603 409 HG22 VAL 56 2HG2 VAL 56 -11.208 3.865 1.988 410 HG23 VAL 56 3HG2 VAL 56 -10.502 4.686 3.380 411 H ASP 57 H ASP 57 -14.066 4.137 5.702 412 HA ASP 57 HA ASP 57 -12.729 1.758 6.468 413 HB2 ASP 57 1HB ASP 57 -14.484 3.719 7.927 414 HB3 ASP 57 2HB ASP 57 -13.892 2.262 8.719 415 H LYS 58 H LYS 58 -16.184 2.633 6.570 416 HA LYS 58 HA LYS 58 -17.331 0.377 7.505 417 HB2 LYS 58 1HB LYS 58 -18.309 2.573 6.318 418 HB3 LYS 58 2HB LYS 58 -18.556 1.426 5.008 419 HG2 LYS 58 1HG LYS 58 -20.156 0.270 6.131 420 HG3 LYS 58 2HG LYS 58 -19.457 0.621 7.714 421 HD2 LYS 58 1HD LYS 58 -20.795 2.717 6.017 422 HD3 LYS 58 2HD LYS 58 -21.670 1.737 7.195 423 HE2 LYS 58 1HE LYS 58 -20.362 2.600 8.993 424 HE3 LYS 58 2HE LYS 58 -19.248 3.391 7.879 425 HZ1 LYS 58 1HZ LYS 58 -20.848 4.932 8.894 426 HZ2 LYS 58 2HZ LYS 58 -22.120 4.086 8.167 427 HZ3 LYS 58 3HZ LYS 58 -20.982 4.889 7.208 428 H ILE 59 H ILE 59 -16.481 0.864 4.076 429 HA ILE 59 HA ILE 59 -17.226 -1.604 3.092 430 HB ILE 59 HB ILE 59 -14.838 0.041 2.247 431 HG12 ILE 59 1HG1 ILE 59 -17.643 -0.028 1.118 432 HG13 ILE 59 2HG1 ILE 59 -17.038 1.220 2.202 433 HG21 ILE 59 1HG2 ILE 59 -15.593 -2.541 1.454 434 HG22 ILE 59 2HG2 ILE 59 -16.075 -1.465 0.143 435 HG23 ILE 59 3HG2 ILE 59 -14.401 -1.486 0.696 436 HD11 ILE 59 1HD1 ILE 59 -16.302 0.670 -0.639 437 HD12 ILE 59 2HD1 ILE 59 -16.826 2.178 0.112 438 HD13 ILE 59 3HD1 ILE 59 -15.206 1.554 0.423 439 H ILE 60 H ILE 60 -13.916 -0.702 4.083 440 HA ILE 60 HA ILE 60 -12.744 -3.191 3.886 441 HB ILE 60 HB ILE 60 -12.167 -0.953 5.822 442 HG12 ILE 60 1HG1 ILE 60 -10.433 -1.818 3.535 443 HG13 ILE 60 2HG1 ILE 60 -11.850 -0.823 3.222 444 HG21 ILE 60 1HG2 ILE 60 -10.620 -3.492 5.336 445 HG22 ILE 60 2HG2 ILE 60 -9.973 -2.081 6.171 446 HG23 ILE 60 3HG2 ILE 60 -11.346 -2.954 6.850 447 HD11 ILE 60 1HD1 ILE 60 -10.981 0.992 4.349 448 HD12 ILE 60 2HD1 ILE 60 -9.857 0.005 5.283 449 HD13 ILE 60 3HD1 ILE 60 -9.557 0.302 3.571 450 H GLN 61 H GLN 61 -14.485 -1.799 6.643 451 HA GLN 61 HA GLN 61 -14.034 -3.760 8.535 452 HB2 GLN 61 1HB GLN 61 -16.527 -2.124 8.046 453 HB3 GLN 61 2HB GLN 61 -16.250 -3.089 9.490 454 HG2 GLN 61 1HG GLN 61 -14.067 -1.693 9.680 455 HG3 GLN 61 2HG GLN 61 -14.910 -0.576 8.608 456 HE21 GLN 61 1HE2 GLN 61 -14.167 -0.986 11.678 457 HE22 GLN 61 2HE2 GLN 61 -15.556 -0.314 12.456 458 H GLU 62 H GLU 62 -17.040 -3.556 6.623 459 HA GLU 62 HA GLU 62 -17.237 -6.485 6.803 460 HB2 GLU 62 1HB GLU 62 -19.135 -5.454 7.815 461 HB3 GLU 62 2HB GLU 62 -19.339 -4.350 6.462 462 HG2 GLU 62 1HG GLU 62 -20.273 -5.961 5.109 463 HG3 GLU 62 2HG GLU 62 -19.541 -7.289 6.007 464 HA PRO 63 HA PRO 63 -16.189 -5.814 2.390 465 HB2 PRO 63 1HB PRO 63 -14.898 -8.188 2.124 466 HB3 PRO 63 2HB PRO 63 -14.117 -6.736 2.760 467 HG2 PRO 63 1HG PRO 63 -15.273 -9.067 4.240 468 HG3 PRO 63 2HG PRO 63 -13.754 -8.199 4.530 469 HD2 PRO 63 1HD PRO 63 -15.988 -7.755 5.994 470 HD3 PRO 63 2HD PRO 63 -14.804 -6.478 5.647 471 HA PRO 64 HA PRO 64 -19.518 -8.166 0.718 472 HB2 PRO 64 1HB PRO 64 -18.726 -8.331 -1.874 473 HB3 PRO 64 2HB PRO 64 -19.337 -6.839 -1.149 474 HG2 PRO 64 1HG PRO 64 -16.508 -7.687 -1.639 475 HG3 PRO 64 2HG PRO 64 -17.263 -6.105 -1.902 476 HD2 PRO 64 1HD PRO 64 -15.738 -6.648 0.268 477 HD3 PRO 64 2HD PRO 64 -17.107 -5.520 0.322 478 H HIS 65 H HIS 65 -16.328 -9.225 -0.489 479 HA HIS 65 HA HIS 65 -16.890 -11.751 -1.327 480 HB2 HIS 65 1HB HIS 65 -14.626 -12.222 -1.162 481 HB3 HIS 65 2HB HIS 65 -14.619 -10.461 -1.154 482 HD1 HIS 65 1HD HIS 65 -13.756 -9.302 0.931 483 HD2 HIS 65 2HD HIS 65 -14.068 -13.422 1.363 484 HE1 HIS 65 1HE HIS 65 -12.587 -9.842 3.091 485 H LYS 66 H LYS 66 -17.014 -10.572 1.906 486 HA LYS 66 HA LYS 66 -17.326 -13.310 2.940 487 HB2 LYS 66 1HB LYS 66 -16.317 -10.775 4.128 488 HB3 LYS 66 2HB LYS 66 -17.177 -11.881 5.191 489 HG2 LYS 66 1HG LYS 66 -15.008 -12.969 3.474 490 HG3 LYS 66 2HG LYS 66 -14.570 -12.011 4.891 491 HD2 LYS 66 1HD LYS 66 -14.647 -14.096 5.831 492 HD3 LYS 66 2HD LYS 66 -16.322 -13.593 6.072 493 HE2 LYS 66 1HE LYS 66 -17.088 -14.905 4.287 494 HE3 LYS 66 2HE LYS 66 -15.469 -15.094 3.617 495 HZ1 LYS 66 1HZ LYS 66 -15.022 -16.276 5.866 496 HZ2 LYS 66 2HZ LYS 66 -15.806 -17.112 4.622 497 HZ3 LYS 66 3HZ LYS 66 -16.702 -16.468 5.904 498 H LYS 67 H LYS 67 -19.384 -13.916 3.017 499 HA LYS 67 HA LYS 67 -21.344 -12.062 4.169 500 HB2 LYS 67 1HB LYS 67 -21.890 -13.791 1.750 501 HB3 LYS 67 2HB LYS 67 -23.015 -12.680 2.521 502 HG2 LYS 67 1HG LYS 67 -21.144 -10.919 1.973 503 HG3 LYS 67 2HG LYS 67 -20.697 -12.111 0.750 504 HD2 LYS 67 1HD LYS 67 -23.507 -11.082 1.072 505 HD3 LYS 67 2HD LYS 67 -22.320 -10.304 0.022 506 HE2 LYS 67 1HE LYS 67 -22.781 -13.235 -0.250 507 HE3 LYS 67 2HE LYS 67 -23.982 -12.124 -0.906 508 HZ1 LYS 67 1HZ LYS 67 -22.260 -12.790 -2.522 509 HZ2 LYS 67 2HZ LYS 67 -21.088 -12.034 -1.564 510 HZ3 LYS 67 3HZ LYS 67 -22.319 -11.117 -2.276 511 H SER 68 H SER 68 -22.376 -12.957 5.822 512 HA SER 68 HA SER 68 -22.013 -15.720 6.469 513 HB2 SER 68 1HB SER 68 -23.744 -13.598 7.760 514 HB3 SER 68 2HB SER 68 -23.441 -15.198 8.434 515 HG SER 68 HG SER 68 -21.493 -13.204 7.894 516 H GLY 69 H GLY 69 -23.145 -17.336 5.634 517 HA2 GLY 69 1HA GLY 69 -26.028 -17.166 5.449 518 HA3 GLY 69 2HA GLY 69 -25.211 -17.291 3.898 519 HA PRO 70 HA PRO 70 -26.070 -21.594 5.291 520 HB2 PRO 70 1HB PRO 70 -26.732 -22.493 2.817 521 HB3 PRO 70 2HB PRO 70 -27.891 -21.708 3.895 522 HG2 PRO 70 1HG PRO 70 -26.363 -20.555 1.593 523 HG3 PRO 70 2HG PRO 70 -28.064 -20.323 2.035 524 HD2 PRO 70 1HD PRO 70 -26.149 -18.497 2.608 525 HD3 PRO 70 2HD PRO 70 -27.562 -18.757 3.650 526 H SER 71 H SER 71 -23.994 -22.238 5.716 527 HA SER 71 HA SER 71 -21.709 -22.126 4.344 528 HB2 SER 71 1HB SER 71 -22.828 -24.438 5.918 529 HB3 SER 71 2HB SER 71 -21.206 -24.498 5.230 530 HG SER 71 HG SER 71 -20.538 -23.045 6.636 531 H SER 72 H SER 72 -21.214 -22.449 2.289 532 HA SER 72 HA SER 72 -22.780 -24.136 0.584 533 HB2 SER 72 1HB SER 72 -21.496 -21.945 -0.005 534 HB3 SER 72 2HB SER 72 -20.105 -23.012 -0.197 535 HG SER 72 HG SER 72 -22.418 -22.800 -1.730 536 H GLY 73 H GLY 73 -21.419 -25.587 -1.016 537 HA2 GLY 73 1HA GLY 73 -20.066 -27.431 -1.335 538 HA3 GLY 73 2HA GLY 73 -19.209 -27.001 0.137 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.697 -3.580 -18.486 2 HA2 GLY 1 1HA GLY 1 -3.510 -2.256 -17.550 3 HA3 GLY 1 2HA GLY 1 -4.228 -2.216 -19.154 4 H SER 2 H SER 2 -5.823 -3.599 -19.543 5 HA SER 2 HA SER 2 -6.594 -5.501 -17.542 6 HB2 SER 2 1HB SER 2 -8.242 -4.200 -18.874 7 HB3 SER 2 2HB SER 2 -7.742 -5.088 -20.313 8 HG SER 2 HG SER 2 -8.662 -6.889 -19.546 9 H SER 3 H SER 3 -5.353 -7.268 -17.342 10 HA SER 3 HA SER 3 -5.443 -9.311 -19.279 11 HB2 SER 3 1HB SER 3 -3.108 -9.416 -19.966 12 HB3 SER 3 2HB SER 3 -3.787 -7.852 -20.418 13 HG SER 3 HG SER 3 -2.857 -7.383 -18.098 14 H GLY 4 H GLY 4 -4.317 -11.257 -18.593 15 HA2 GLY 4 1HA GLY 4 -4.389 -11.561 -15.754 16 HA3 GLY 4 2HA GLY 4 -3.935 -12.794 -16.920 17 H SER 5 H SER 5 -2.786 -10.141 -14.949 18 HA SER 5 HA SER 5 -0.031 -10.502 -15.718 19 HB2 SER 5 1HB SER 5 -1.177 -8.323 -14.899 20 HB3 SER 5 2HB SER 5 -0.934 -8.984 -13.283 21 HG SER 5 HG SER 5 0.799 -7.622 -14.042 22 H SER 6 H SER 6 1.515 -11.648 -14.693 23 HA SER 6 HA SER 6 0.712 -13.119 -12.268 24 HB2 SER 6 1HB SER 6 1.165 -14.345 -14.570 25 HB3 SER 6 2HB SER 6 2.849 -14.171 -14.075 26 HG SER 6 HG SER 6 0.793 -15.366 -12.522 27 H GLY 7 H GLY 7 2.508 -13.745 -10.834 28 HA2 GLY 7 1HA GLY 7 4.924 -13.367 -10.356 29 HA3 GLY 7 2HA GLY 7 4.655 -11.713 -10.886 30 H LYS 8 H LYS 8 2.305 -11.075 -9.627 31 HA LYS 8 HA LYS 8 3.095 -11.206 -6.793 32 HB2 LYS 8 1HB LYS 8 1.897 -9.055 -8.478 33 HB3 LYS 8 2HB LYS 8 1.465 -9.111 -6.774 34 HG2 LYS 8 1HG LYS 8 4.336 -9.195 -7.595 35 HG3 LYS 8 2HG LYS 8 3.465 -7.661 -7.544 36 HD2 LYS 8 1HD LYS 8 3.390 -9.528 -5.204 37 HD3 LYS 8 2HD LYS 8 4.767 -8.451 -5.445 38 HE2 LYS 8 1HE LYS 8 2.947 -6.613 -5.699 39 HE3 LYS 8 2HE LYS 8 1.907 -7.777 -4.880 40 HZ1 LYS 8 1HZ LYS 8 3.618 -7.869 -3.097 41 HZ2 LYS 8 2HZ LYS 8 2.857 -6.365 -3.244 42 HZ3 LYS 8 3HZ LYS 8 4.421 -6.585 -3.852 43 H ALA 9 H ALA 9 1.276 -11.043 -5.227 44 HA ALA 9 HA ALA 9 -0.585 -13.109 -5.634 45 HB1 ALA 9 1HB ALA 9 -1.335 -11.156 -3.591 46 HB2 ALA 9 2HB ALA 9 -1.002 -12.883 -3.446 47 HB3 ALA 9 3HB ALA 9 0.329 -11.726 -3.464 48 H LYS 10 H LYS 10 -2.667 -13.148 -6.296 49 HA LYS 10 HA LYS 10 -3.708 -10.719 -7.529 50 HB2 LYS 10 1HB LYS 10 -4.452 -13.631 -7.712 51 HB3 LYS 10 2HB LYS 10 -5.490 -12.372 -8.370 52 HG2 LYS 10 1HG LYS 10 -2.645 -12.297 -9.165 53 HG3 LYS 10 2HG LYS 10 -3.622 -13.620 -9.805 54 HD2 LYS 10 1HD LYS 10 -4.064 -12.085 -11.418 55 HD3 LYS 10 2HD LYS 10 -5.306 -11.595 -10.263 56 HE2 LYS 10 1HE LYS 10 -4.148 -9.635 -11.019 57 HE3 LYS 10 2HE LYS 10 -3.706 -9.933 -9.338 58 HZ1 LYS 10 1HZ LYS 10 -1.685 -9.500 -10.312 59 HZ2 LYS 10 2HZ LYS 10 -2.081 -10.264 -11.768 60 HZ3 LYS 10 3HZ LYS 10 -1.728 -11.189 -10.397 61 HA PRO 11 HA PRO 11 -6.576 -9.872 -4.298 62 HB2 PRO 11 1HB PRO 11 -8.413 -8.459 -5.713 63 HB3 PRO 11 2HB PRO 11 -6.831 -7.806 -5.270 64 HG2 PRO 11 1HG PRO 11 -7.731 -8.993 -7.867 65 HG3 PRO 11 2HG PRO 11 -6.745 -7.548 -7.580 66 HD2 PRO 11 1HD PRO 11 -5.669 -9.928 -8.295 67 HD3 PRO 11 2HD PRO 11 -4.822 -8.774 -7.245 68 H VAL 12 H VAL 12 -8.683 -10.391 -3.555 69 HA VAL 12 HA VAL 12 -9.881 -12.655 -4.975 70 HB VAL 12 HB VAL 12 -11.046 -13.139 -2.868 71 HG11 VAL 12 1HG1 VAL 12 -8.078 -12.722 -2.517 72 HG12 VAL 12 2HG1 VAL 12 -9.092 -13.805 -1.562 73 HG13 VAL 12 3HG1 VAL 12 -8.844 -14.115 -3.281 74 HG21 VAL 12 1HG2 VAL 12 -11.446 -11.283 -1.639 75 HG22 VAL 12 2HG2 VAL 12 -9.914 -11.722 -0.884 76 HG23 VAL 12 3HG2 VAL 12 -9.953 -10.492 -2.147 77 H ALA 13 H ALA 13 -10.681 -9.499 -3.622 78 HA ALA 13 HA ALA 13 -13.044 -9.405 -5.329 79 HB1 ALA 13 1HB ALA 13 -13.113 -9.175 -2.337 80 HB2 ALA 13 2HB ALA 13 -14.351 -8.440 -3.356 81 HB3 ALA 13 3HB ALA 13 -14.102 -10.185 -3.392 82 H THR 14 H THR 14 -13.737 -7.305 -5.835 83 HA THR 14 HA THR 14 -12.040 -5.109 -4.866 84 HB THR 14 HB THR 14 -12.832 -5.418 -7.764 85 HG1 THR 14 1HG THR 14 -11.319 -6.993 -7.418 86 HG21 THR 14 1HG2 THR 14 -10.580 -3.783 -7.470 87 HG22 THR 14 2HG2 THR 14 -11.689 -3.287 -6.192 88 HG23 THR 14 3HG2 THR 14 -12.220 -3.276 -7.873 89 H ALA 15 H ALA 15 -13.121 -3.306 -4.341 90 HA ALA 15 HA ALA 15 -15.783 -2.838 -5.457 91 HB1 ALA 15 1HB ALA 15 -16.652 -2.313 -3.168 92 HB2 ALA 15 2HB ALA 15 -16.314 -4.020 -3.457 93 HB3 ALA 15 3HB ALA 15 -15.188 -3.046 -2.512 94 HA PRO 16 HA PRO 16 -13.926 1.202 -5.687 95 HB2 PRO 16 1HB PRO 16 -16.065 2.433 -6.818 96 HB3 PRO 16 2HB PRO 16 -14.965 1.390 -7.728 97 HG2 PRO 16 1HG PRO 16 -17.650 0.755 -6.566 98 HG3 PRO 16 2HG PRO 16 -16.983 0.316 -8.150 99 HD2 PRO 16 1HD PRO 16 -17.057 -1.415 -6.068 100 HD3 PRO 16 2HD PRO 16 -15.769 -1.445 -7.290 101 H ILE 17 H ILE 17 -13.802 2.732 -4.170 102 HA ILE 17 HA ILE 17 -15.738 2.851 -2.055 103 HB ILE 17 HB ILE 17 -13.281 4.519 -2.591 104 HG12 ILE 17 1HG1 ILE 17 -13.866 2.072 -0.965 105 HG13 ILE 17 2HG1 ILE 17 -12.501 2.403 -2.026 106 HG21 ILE 17 1HG2 ILE 17 -15.009 5.732 -1.285 107 HG22 ILE 17 2HG2 ILE 17 -14.953 4.441 -0.086 108 HG23 ILE 17 3HG2 ILE 17 -13.525 5.432 -0.381 109 HD11 ILE 17 1HD1 ILE 17 -12.961 3.706 0.646 110 HD12 ILE 17 2HD1 ILE 17 -11.879 2.345 0.346 111 HD13 ILE 17 3HD1 ILE 17 -11.557 3.910 -0.399 112 HA PRO 18 HA PRO 18 -18.319 5.966 -3.845 113 HB2 PRO 18 1HB PRO 18 -19.690 6.615 -1.594 114 HB3 PRO 18 2HB PRO 18 -19.983 5.127 -2.501 115 HG2 PRO 18 1HG PRO 18 -18.366 5.543 -0.016 116 HG3 PRO 18 2HG PRO 18 -19.500 4.237 -0.408 117 HD2 PRO 18 1HD PRO 18 -16.816 3.946 -0.611 118 HD3 PRO 18 2HD PRO 18 -17.952 3.106 -1.686 119 H GLY 19 H GLY 19 -17.852 8.024 -4.292 120 HA2 GLY 19 1HA GLY 19 -17.544 10.300 -3.724 121 HA3 GLY 19 2HA GLY 19 -16.973 9.802 -2.138 122 H THR 20 H THR 20 -14.946 8.157 -2.550 123 HA THR 20 HA THR 20 -12.981 9.871 -3.872 124 HB THR 20 HB THR 20 -11.360 8.993 -2.495 125 HG1 THR 20 1HG THR 20 -12.917 6.670 -1.975 126 HG21 THR 20 1HG2 THR 20 -12.429 8.513 -0.223 127 HG22 THR 20 2HG2 THR 20 -13.978 8.750 -1.034 128 HG23 THR 20 3HG2 THR 20 -12.803 10.064 -0.974 129 HA PRO 21 HA PRO 21 -12.423 7.196 -7.318 130 HB2 PRO 21 1HB PRO 21 -9.834 7.745 -7.922 131 HB3 PRO 21 2HB PRO 21 -11.155 8.876 -8.238 132 HG2 PRO 21 1HG PRO 21 -9.206 8.828 -5.966 133 HG3 PRO 21 2HG PRO 21 -9.787 10.210 -6.912 134 HD2 PRO 21 1HD PRO 21 -10.760 9.613 -4.457 135 HD3 PRO 21 2HD PRO 21 -11.757 10.356 -5.724 136 H TRP 22 H TRP 22 -11.002 6.671 -4.351 137 HA TRP 22 HA TRP 22 -9.152 4.604 -5.045 138 HB2 TRP 22 1HB TRP 22 -10.422 5.443 -2.440 139 HB3 TRP 22 2HB TRP 22 -9.305 4.085 -2.555 140 HD1 TRP 22 HD TRP 22 -9.412 7.872 -2.509 141 HE1 TRP 22 1HE TRP 22 -7.006 8.784 -2.429 142 HE3 TRP 22 3HE TRP 22 -6.864 3.519 -3.346 143 HZ2 TRP 22 2HZ TRP 22 -4.377 7.790 -2.687 144 HZ3 TRP 22 3HZ TRP 22 -4.406 3.586 -3.415 145 HH2 TRP 22 HH TRP 22 -3.190 5.679 -3.093 146 H CYS 23 H CYS 23 -9.375 2.351 -4.601 147 HA CYS 23 HA CYS 23 -12.134 1.377 -4.369 148 HB2 CYS 23 1HB CYS 23 -10.149 0.281 -6.368 149 HB3 CYS 23 2HB CYS 23 -11.833 -0.190 -6.178 150 HG CYS 23 HG CYS 23 -12.925 1.758 -7.539 151 H VAL 24 H VAL 24 -12.271 0.004 -2.734 152 HA VAL 24 HA VAL 24 -9.980 -1.053 -1.423 153 HB VAL 24 HB VAL 24 -12.850 -1.920 -1.063 154 HG11 VAL 24 1HG1 VAL 24 -11.506 -1.985 1.366 155 HG12 VAL 24 2HG1 VAL 24 -11.948 -3.370 0.366 156 HG13 VAL 24 3HG1 VAL 24 -10.351 -2.638 0.204 157 HG21 VAL 24 1HG2 VAL 24 -11.401 0.217 0.486 158 HG22 VAL 24 2HG2 VAL 24 -12.469 0.563 -0.875 159 HG23 VAL 24 3HG2 VAL 24 -13.109 -0.215 0.573 160 H VAL 25 H VAL 25 -8.817 -2.743 -2.034 161 HA VAL 25 HA VAL 25 -10.156 -4.920 -3.506 162 HB VAL 25 HB VAL 25 -7.263 -4.096 -3.772 163 HG11 VAL 25 1HG1 VAL 25 -7.102 -5.691 -5.512 164 HG12 VAL 25 2HG1 VAL 25 -7.887 -6.515 -4.163 165 HG13 VAL 25 3HG1 VAL 25 -8.846 -5.952 -5.533 166 HG21 VAL 25 1HG2 VAL 25 -7.760 -2.924 -5.692 167 HG22 VAL 25 2HG2 VAL 25 -9.285 -3.773 -5.946 168 HG23 VAL 25 3HG2 VAL 25 -9.158 -2.546 -4.686 169 H TRP 26 H TRP 26 -10.110 -6.857 -2.576 170 HA TRP 26 HA TRP 26 -8.400 -7.240 -0.230 171 HB2 TRP 26 1HB TRP 26 -10.848 -8.706 -1.222 172 HB3 TRP 26 2HB TRP 26 -9.882 -9.258 0.144 173 HD1 TRP 26 HD TRP 26 -10.203 -8.029 2.444 174 HE1 TRP 26 1HE TRP 26 -11.870 -6.256 3.284 175 HE3 TRP 26 3HE TRP 26 -12.191 -6.593 -2.042 176 HZ2 TRP 26 2HZ TRP 26 -13.775 -4.484 2.190 177 HZ3 TRP 26 3HZ TRP 26 -13.932 -4.853 -2.058 178 HH2 TRP 26 HH TRP 26 -14.706 -3.823 0.016 179 H THR 27 H THR 27 -7.488 -9.453 0.092 180 HA THR 27 HA THR 27 -6.682 -10.696 -2.451 181 HB THR 27 HB THR 27 -4.416 -11.093 -1.414 182 HG1 THR 27 1HG THR 27 -5.260 -9.040 0.376 183 HG21 THR 27 1HG2 THR 27 -5.129 -8.183 -1.787 184 HG22 THR 27 2HG2 THR 27 -4.882 -9.324 -3.110 185 HG23 THR 27 3HG2 THR 27 -3.551 -8.931 -2.022 186 H GLY 28 H GLY 28 -5.384 -12.831 -1.843 187 HA2 GLY 28 1HA GLY 28 -7.293 -14.495 -0.490 188 HA3 GLY 28 2HA GLY 28 -5.787 -15.021 -1.228 189 H ASP 29 H ASP 29 -4.355 -12.914 0.413 190 HA ASP 29 HA ASP 29 -3.931 -14.618 2.726 191 HB2 ASP 29 1HB ASP 29 -2.150 -13.355 1.223 192 HB3 ASP 29 2HB ASP 29 -2.466 -12.043 2.355 193 H GLU 30 H GLU 30 -6.431 -13.491 2.823 194 HA GLU 30 HA GLU 30 -7.818 -12.067 3.981 195 HB2 GLU 30 1HB GLU 30 -5.797 -12.930 6.051 196 HB3 GLU 30 2HB GLU 30 -7.287 -12.086 6.449 197 HG2 GLU 30 1HG GLU 30 -8.507 -13.960 5.271 198 HG3 GLU 30 2HG GLU 30 -6.970 -14.822 5.258 199 H ARG 31 H ARG 31 -6.001 -10.573 2.505 200 HA ARG 31 HA ARG 31 -5.499 -8.304 4.317 201 HB2 ARG 31 1HB ARG 31 -3.766 -9.533 2.236 202 HB3 ARG 31 2HB ARG 31 -3.736 -7.780 2.378 203 HG2 ARG 31 1HG ARG 31 -3.392 -9.488 4.804 204 HG3 ARG 31 2HG ARG 31 -2.037 -9.202 3.711 205 HD2 ARG 31 1HD ARG 31 -1.977 -6.936 4.166 206 HD3 ARG 31 2HD ARG 31 -3.657 -6.897 4.701 207 HE ARG 31 HE ARG 31 -2.960 -7.437 6.815 208 HH11 ARG 31 2HH1 ARG 31 -0.380 -8.064 4.564 209 HH12 ARG 31 1HH1 ARG 31 0.794 -8.384 5.797 210 HH21 ARG 31 2HH2 ARG 31 -1.424 -7.857 8.448 211 HH22 ARG 31 1HH2 ARG 31 0.198 -8.267 8.006 212 H VAL 32 H VAL 32 -5.472 -6.180 3.181 213 HA VAL 32 HA VAL 32 -6.950 -6.053 0.684 214 HB VAL 32 HB VAL 32 -8.771 -6.155 2.276 215 HG11 VAL 32 1HG1 VAL 32 -8.751 -3.899 3.796 216 HG12 VAL 32 2HG1 VAL 32 -8.250 -5.495 4.359 217 HG13 VAL 32 3HG1 VAL 32 -7.043 -4.338 3.797 218 HG21 VAL 32 1HG2 VAL 32 -9.188 -4.734 0.416 219 HG22 VAL 32 2HG2 VAL 32 -9.805 -3.903 1.845 220 HG23 VAL 32 3HG2 VAL 32 -8.266 -3.413 1.136 221 H PHE 33 H PHE 33 -6.482 -4.261 -0.485 222 HA PHE 33 HA PHE 33 -4.972 -2.114 0.846 223 HB2 PHE 33 1HB PHE 33 -3.522 -1.954 -1.148 224 HB3 PHE 33 2HB PHE 33 -3.380 -3.519 -0.353 225 HD1 PHE 33 1HD PHE 33 -4.381 -5.520 -1.370 226 HD2 PHE 33 2HD PHE 33 -4.373 -1.758 -3.360 227 HE1 PHE 33 1HE PHE 33 -4.886 -6.649 -3.497 228 HE2 PHE 33 2HE PHE 33 -4.879 -2.880 -5.490 229 HZ PHE 33 HZ PHE 33 -5.136 -5.328 -5.561 230 H PHE 34 H PHE 34 -4.758 -0.178 -0.752 231 HA PHE 34 HA PHE 34 -7.434 0.297 -1.881 232 HB2 PHE 34 1HB PHE 34 -5.454 2.406 -1.016 233 HB3 PHE 34 2HB PHE 34 -7.162 2.620 -1.381 234 HD1 PHE 34 2HD PHE 34 -4.889 0.845 0.969 235 HD2 PHE 34 1HD PHE 34 -8.710 2.609 0.333 236 HE1 PHE 34 2HE PHE 34 -5.432 0.516 3.346 237 HE2 PHE 34 1HE PHE 34 -9.259 2.284 2.710 238 HZ PHE 34 HZ PHE 34 -7.620 1.235 4.219 239 H TYR 35 H TYR 35 -7.638 0.710 -3.988 240 HA TYR 35 HA TYR 35 -5.186 1.254 -5.531 241 HB2 TYR 35 1HB TYR 35 -5.942 -0.930 -6.120 242 HB3 TYR 35 2HB TYR 35 -7.613 -0.392 -6.246 243 HD1 TYR 35 1HD TYR 35 -4.334 0.671 -7.712 244 HD2 TYR 35 2HD TYR 35 -8.406 -0.353 -8.403 245 HE1 TYR 35 1HE TYR 35 -4.018 1.065 -10.119 246 HE2 TYR 35 2HE TYR 35 -8.101 0.037 -10.812 247 HH TYR 35 HH TYR 35 -5.332 0.090 -12.331 248 H ASN 36 H ASN 36 -5.434 2.554 -7.449 249 HA ASN 36 HA ASN 36 -7.841 4.237 -7.493 250 HB2 ASN 36 1HB ASN 36 -5.985 5.371 -6.235 251 HB3 ASN 36 2HB ASN 36 -5.033 5.336 -7.717 252 HD21 ASN 36 1HD2 ASN 36 -6.491 7.426 -5.937 253 HD22 ASN 36 2HD2 ASN 36 -7.240 8.456 -7.105 254 HA PRO 37 HA PRO 37 -7.150 2.808 -11.747 255 HB2 PRO 37 1HB PRO 37 -9.734 3.160 -12.502 256 HB3 PRO 37 2HB PRO 37 -9.175 1.728 -11.630 257 HG2 PRO 37 1HG PRO 37 -10.562 4.164 -10.579 258 HG3 PRO 37 2HG PRO 37 -10.843 2.459 -10.183 259 HD2 PRO 37 1HD PRO 37 -9.410 4.109 -8.584 260 HD3 PRO 37 2HD PRO 37 -9.060 2.374 -8.724 261 H THR 38 H THR 38 -7.773 5.782 -10.378 262 HA THR 38 HA THR 38 -8.122 7.165 -12.935 263 HB THR 38 HB THR 38 -8.089 8.370 -10.163 264 HG1 THR 38 1HG THR 38 -10.302 8.183 -10.204 265 HG21 THR 38 1HG2 THR 38 -9.633 9.719 -12.214 266 HG22 THR 38 2HG2 THR 38 -7.934 9.571 -12.664 267 HG23 THR 38 3HG2 THR 38 -8.380 10.354 -11.149 268 H THR 39 H THR 39 -5.836 6.765 -10.302 269 HA THR 39 HA THR 39 -3.876 8.343 -11.839 270 HB THR 39 HB THR 39 -2.760 8.927 -9.759 271 HG1 THR 39 1HG THR 39 -3.878 8.359 -7.758 272 HG21 THR 39 1HG2 THR 39 -5.484 9.636 -8.942 273 HG22 THR 39 2HG2 THR 39 -5.127 9.977 -10.635 274 HG23 THR 39 3HG2 THR 39 -4.122 10.672 -9.364 275 H ARG 40 H ARG 40 -4.593 5.394 -11.766 276 HA ARG 40 HA ARG 40 -3.573 3.342 -11.548 277 HB2 ARG 40 1HB ARG 40 -1.353 5.008 -12.748 278 HB3 ARG 40 2HB ARG 40 -1.429 3.251 -12.777 279 HG2 ARG 40 1HG ARG 40 -3.562 3.430 -14.048 280 HG3 ARG 40 2HG ARG 40 -3.306 5.174 -14.129 281 HD2 ARG 40 1HD ARG 40 -1.104 3.378 -15.009 282 HD3 ARG 40 2HD ARG 40 -2.506 3.557 -16.062 283 HE ARG 40 HE ARG 40 -1.849 6.112 -15.493 284 HH11 ARG 40 2HH1 ARG 40 -0.020 3.389 -16.659 285 HH12 ARG 40 1HH1 ARG 40 1.095 4.359 -17.564 286 HH21 ARG 40 2HH2 ARG 40 -0.389 7.400 -16.681 287 HH22 ARG 40 1HH2 ARG 40 0.884 6.641 -17.576 288 H LEU 41 H LEU 41 -3.436 4.814 -9.123 289 HA LEU 41 HA LEU 41 -0.755 4.168 -8.108 290 HB2 LEU 41 1HB LEU 41 -1.974 6.475 -7.831 291 HB3 LEU 41 2HB LEU 41 -2.796 5.646 -6.511 292 HG LEU 41 HG LEU 41 -0.866 7.002 -5.772 293 HD11 LEU 41 1HD1 LEU 41 -1.668 4.950 -4.572 294 HD12 LEU 41 2HD1 LEU 41 0.011 5.392 -4.264 295 HD13 LEU 41 3HD1 LEU 41 -0.364 4.063 -5.362 296 HD21 LEU 41 1HD2 LEU 41 0.479 6.546 -7.857 297 HD22 LEU 41 2HD2 LEU 41 0.854 4.965 -7.169 298 HD23 LEU 41 3HD2 LEU 41 1.362 6.434 -6.334 299 H SER 42 H SER 42 -0.454 2.550 -6.706 300 HA SER 42 HA SER 42 -2.783 1.414 -5.326 301 HB2 SER 42 1HB SER 42 -1.878 -0.877 -5.807 302 HB3 SER 42 2HB SER 42 -2.463 -0.025 -7.235 303 HG SER 42 HG SER 42 -0.204 0.607 -7.548 304 H MET 43 H MET 43 -2.332 1.791 -3.252 305 HA MET 43 HA MET 43 0.417 1.392 -2.300 306 HB2 MET 43 1HB MET 43 -1.851 2.691 -0.795 307 HB3 MET 43 2HB MET 43 -0.134 2.769 -0.426 308 HG2 MET 43 1HG MET 43 -0.019 3.849 -2.826 309 HG3 MET 43 2HG MET 43 -1.705 4.226 -2.478 310 HE1 MET 43 1HE MET 43 -2.185 4.962 0.214 311 HE2 MET 43 2HE MET 43 -0.748 4.275 0.971 312 HE3 MET 43 3HE MET 43 -1.069 6.005 1.095 313 H TRP 44 H TRP 44 0.410 0.662 0.129 314 HA TRP 44 HA TRP 44 -1.180 -1.807 0.228 315 HB2 TRP 44 1HB TRP 44 1.540 -1.057 1.162 316 HB3 TRP 44 2HB TRP 44 0.645 -2.208 2.150 317 HD1 TRP 44 HD TRP 44 2.923 -2.104 -0.714 318 HE1 TRP 44 1HE TRP 44 2.917 -4.343 -1.983 319 HE3 TRP 44 3HE TRP 44 -1.260 -4.195 1.351 320 HZ2 TRP 44 2HZ TRP 44 1.345 -6.686 -2.095 321 HZ3 TRP 44 3HZ TRP 44 -1.947 -6.438 0.608 322 HH2 TRP 44 HH TRP 44 -0.670 -7.655 -1.080 323 H ASP 45 H ASP 45 -0.859 1.249 1.660 324 HA ASP 45 HA ASP 45 -2.486 0.378 3.958 325 HB2 ASP 45 1HB ASP 45 -0.285 2.421 3.800 326 HB3 ASP 45 2HB ASP 45 -1.518 2.515 5.054 327 H ARG 46 H ARG 46 -3.688 2.379 4.913 328 HA ARG 46 HA ARG 46 -5.311 3.429 2.762 329 HB2 ARG 46 1HB ARG 46 -6.262 2.532 4.909 330 HB3 ARG 46 2HB ARG 46 -5.582 3.932 5.727 331 HG2 ARG 46 1HG ARG 46 -7.311 4.448 3.382 332 HG3 ARG 46 2HG ARG 46 -8.088 3.855 4.852 333 HD2 ARG 46 1HD ARG 46 -6.161 6.150 4.933 334 HD3 ARG 46 2HD ARG 46 -7.855 6.401 4.512 335 HE ARG 46 HE ARG 46 -6.780 5.800 7.115 336 HH11 ARG 46 2HH1 ARG 46 -9.602 5.713 5.076 337 HH12 ARG 46 1HH1 ARG 46 -10.719 5.705 6.401 338 HH21 ARG 46 2HH2 ARG 46 -8.241 5.789 8.867 339 HH22 ARG 46 1HH2 ARG 46 -9.944 5.748 8.556 340 HA PRO 47 HA PRO 47 -2.782 7.138 2.674 341 HB2 PRO 47 1HB PRO 47 -3.993 8.192 0.485 342 HB3 PRO 47 2HB PRO 47 -2.770 6.919 0.387 343 HG2 PRO 47 1HG PRO 47 -5.753 6.694 0.262 344 HG3 PRO 47 2HG PRO 47 -4.527 5.880 -0.727 345 HD2 PRO 47 1HD PRO 47 -5.767 4.662 1.349 346 HD3 PRO 47 2HD PRO 47 -4.092 4.297 0.890 347 H ASP 48 H ASP 48 -3.199 9.423 2.865 348 HA ASP 48 HA ASP 48 -5.199 10.085 4.686 349 HB2 ASP 48 1HB ASP 48 -2.994 11.338 3.917 350 HB3 ASP 48 2HB ASP 48 -4.123 12.204 2.878 351 H ASP 49 H ASP 49 -5.111 10.463 1.170 352 HA ASP 49 HA ASP 49 -7.261 11.996 0.615 353 HB2 ASP 49 1HB ASP 49 -6.311 9.461 -0.695 354 HB3 ASP 49 2HB ASP 49 -7.702 10.338 -1.325 355 H LEU 50 H LEU 50 -7.321 8.902 2.153 356 HA LEU 50 HA LEU 50 -10.256 8.829 1.982 357 HB2 LEU 50 1HB LEU 50 -8.227 6.689 2.574 358 HB3 LEU 50 2HB LEU 50 -9.957 6.467 2.828 359 HG LEU 50 HG LEU 50 -8.627 7.025 0.177 360 HD11 LEU 50 1HD1 LEU 50 -9.156 4.730 -0.366 361 HD12 LEU 50 2HD1 LEU 50 -9.878 4.491 1.225 362 HD13 LEU 50 3HD1 LEU 50 -8.146 4.785 1.079 363 HD21 LEU 50 1HD2 LEU 50 -11.295 7.407 1.019 364 HD22 LEU 50 2HD2 LEU 50 -11.272 5.974 -0.011 365 HD23 LEU 50 3HD2 LEU 50 -10.641 7.507 -0.616 366 H ILE 51 H ILE 51 -7.530 8.873 4.184 367 HA ILE 51 HA ILE 51 -8.650 8.271 6.600 368 HB ILE 51 HB ILE 51 -6.701 10.500 6.011 369 HG12 ILE 51 1HG1 ILE 51 -6.319 7.627 6.879 370 HG13 ILE 51 2HG1 ILE 51 -5.881 8.319 5.320 371 HG21 ILE 51 1HG2 ILE 51 -6.603 11.009 8.177 372 HG22 ILE 51 2HG2 ILE 51 -8.094 10.088 8.366 373 HG23 ILE 51 3HG2 ILE 51 -6.537 9.311 8.648 374 HD11 ILE 51 1HD1 ILE 51 -4.676 9.126 7.955 375 HD12 ILE 51 2HD1 ILE 51 -3.956 7.993 6.811 376 HD13 ILE 51 3HD1 ILE 51 -4.188 9.680 6.354 377 H GLY 52 H GLY 52 -10.339 9.000 7.701 378 HA2 GLY 52 1HA GLY 52 -11.350 10.936 8.819 379 HA3 GLY 52 2HA GLY 52 -11.149 11.815 7.310 380 H ARG 53 H ARG 53 -12.032 9.660 5.610 381 HA ARG 53 HA ARG 53 -14.853 10.136 5.777 382 HB2 ARG 53 1HB ARG 53 -13.355 8.266 3.934 383 HB3 ARG 53 2HB ARG 53 -14.998 8.854 3.718 384 HG2 ARG 53 1HG ARG 53 -13.945 11.193 3.698 385 HG3 ARG 53 2HG ARG 53 -12.418 10.345 3.443 386 HD2 ARG 53 1HD ARG 53 -13.072 9.528 1.374 387 HD3 ARG 53 2HD ARG 53 -14.787 9.730 1.726 388 HE ARG 53 HE ARG 53 -13.265 12.184 1.572 389 HH11 ARG 53 2HH1 ARG 53 -15.224 9.860 -0.125 390 HH12 ARG 53 1HH1 ARG 53 -15.671 10.962 -1.385 391 HH21 ARG 53 2HH2 ARG 53 -13.845 13.644 -0.081 392 HH22 ARG 53 1HH2 ARG 53 -14.885 13.114 -1.359 393 H ALA 54 H ALA 54 -16.494 8.683 6.203 394 HA ALA 54 HA ALA 54 -15.754 6.454 7.907 395 HB1 ALA 54 1HB ALA 54 -18.555 6.557 7.579 396 HB2 ALA 54 2HB ALA 54 -17.600 7.060 8.975 397 HB3 ALA 54 3HB ALA 54 -17.983 8.221 7.704 398 H ASP 55 H ASP 55 -17.371 7.010 4.820 399 HA ASP 55 HA ASP 55 -18.387 4.511 4.279 400 HB2 ASP 55 1HB ASP 55 -17.000 6.320 2.290 401 HB3 ASP 55 2HB ASP 55 -18.175 5.063 1.914 402 H VAL 56 H VAL 56 -15.123 5.675 3.436 403 HA VAL 56 HA VAL 56 -14.078 3.425 2.284 404 HB VAL 56 HB VAL 56 -12.741 5.392 2.347 405 HG11 VAL 56 1HG1 VAL 56 -12.196 5.205 5.266 406 HG12 VAL 56 2HG1 VAL 56 -12.170 6.609 4.199 407 HG13 VAL 56 3HG1 VAL 56 -13.710 5.938 4.737 408 HG21 VAL 56 1HG2 VAL 56 -10.601 4.528 3.369 409 HG22 VAL 56 2HG2 VAL 56 -11.533 3.150 3.953 410 HG23 VAL 56 3HG2 VAL 56 -11.390 3.447 2.221 411 H ASP 57 H ASP 57 -14.274 4.142 5.753 412 HA ASP 57 HA ASP 57 -12.955 1.803 6.626 413 HB2 ASP 57 1HB ASP 57 -13.604 4.007 7.905 414 HB3 ASP 57 2HB ASP 57 -15.072 3.113 8.289 415 H LYS 58 H LYS 58 -16.436 2.577 6.785 416 HA LYS 58 HA LYS 58 -17.546 0.300 7.611 417 HB2 LYS 58 1HB LYS 58 -18.952 2.109 6.924 418 HB3 LYS 58 2HB LYS 58 -18.415 1.974 5.255 419 HG2 LYS 58 1HG LYS 58 -19.422 -0.440 5.459 420 HG3 LYS 58 2HG LYS 58 -20.346 0.295 6.771 421 HD2 LYS 58 1HD LYS 58 -21.495 1.694 5.361 422 HD3 LYS 58 2HD LYS 58 -20.200 1.723 4.161 423 HE2 LYS 58 1HE LYS 58 -20.749 -0.585 3.533 424 HE3 LYS 58 2HE LYS 58 -22.051 -0.594 4.721 425 HZ1 LYS 58 1HZ LYS 58 -22.744 1.539 3.354 426 HZ2 LYS 58 2HZ LYS 58 -23.227 -0.015 2.892 427 HZ3 LYS 58 3HZ LYS 58 -21.916 0.727 2.122 428 H ILE 59 H ILE 59 -16.635 0.803 4.200 429 HA ILE 59 HA ILE 59 -17.292 -1.655 3.172 430 HB ILE 59 HB ILE 59 -14.856 -0.011 2.475 431 HG12 ILE 59 1HG1 ILE 59 -17.561 -0.081 1.128 432 HG13 ILE 59 2HG1 ILE 59 -17.099 1.129 2.320 433 HG21 ILE 59 1HG2 ILE 59 -14.889 -1.169 0.338 434 HG22 ILE 59 2HG2 ILE 59 -14.700 -2.318 1.662 435 HG23 ILE 59 3HG2 ILE 59 -16.264 -2.138 0.868 436 HD11 ILE 59 1HD1 ILE 59 -16.638 1.128 -0.468 437 HD12 ILE 59 2HD1 ILE 59 -16.181 2.345 0.724 438 HD13 ILE 59 3HD1 ILE 59 -15.074 1.028 0.340 439 H ILE 60 H ILE 60 -13.991 -0.800 4.229 440 HA ILE 60 HA ILE 60 -12.894 -3.330 4.138 441 HB ILE 60 HB ILE 60 -12.250 -1.093 6.060 442 HG12 ILE 60 1HG1 ILE 60 -10.595 -1.877 3.692 443 HG13 ILE 60 2HG1 ILE 60 -12.037 -0.898 3.444 444 HG21 ILE 60 1HG2 ILE 60 -10.980 -3.749 5.596 445 HG22 ILE 60 2HG2 ILE 60 -9.963 -2.365 5.995 446 HG23 ILE 60 3HG2 ILE 60 -11.238 -2.871 7.103 447 HD11 ILE 60 1HD1 ILE 60 -9.621 0.138 3.879 448 HD12 ILE 60 2HD1 ILE 60 -11.114 0.934 4.379 449 HD13 ILE 60 3HD1 ILE 60 -10.176 0.005 5.547 450 H GLN 61 H GLN 61 -14.629 -1.779 6.810 451 HA GLN 61 HA GLN 61 -14.246 -3.662 8.794 452 HB2 GLN 61 1HB GLN 61 -16.643 -1.937 8.179 453 HB3 GLN 61 2HB GLN 61 -16.522 -2.920 9.632 454 HG2 GLN 61 1HG GLN 61 -14.221 -1.630 9.861 455 HG3 GLN 61 2HG GLN 61 -15.085 -0.440 8.889 456 HE21 GLN 61 1HE2 GLN 61 -14.215 -0.897 11.865 457 HE22 GLN 61 2HE2 GLN 61 -15.593 -0.329 12.739 458 H GLU 62 H GLU 62 -16.947 -3.544 6.467 459 HA GLU 62 HA GLU 62 -17.252 -6.451 6.836 460 HB2 GLU 62 1HB GLU 62 -19.331 -4.294 6.732 461 HB3 GLU 62 2HB GLU 62 -19.727 -5.916 6.183 462 HG2 GLU 62 1HG GLU 62 -18.885 -6.725 8.434 463 HG3 GLU 62 2HG GLU 62 -18.904 -5.033 8.929 464 HA PRO 63 HA PRO 63 -16.323 -5.739 2.404 465 HB2 PRO 63 1HB PRO 63 -15.014 -8.096 2.089 466 HB3 PRO 63 2HB PRO 63 -14.233 -6.640 2.716 467 HG2 PRO 63 1HG PRO 63 -15.327 -8.994 4.207 468 HG3 PRO 63 2HG PRO 63 -13.810 -8.112 4.466 469 HD2 PRO 63 1HD PRO 63 -16.012 -7.702 5.988 470 HD3 PRO 63 2HD PRO 63 -14.850 -6.410 5.621 471 HA PRO 64 HA PRO 64 -19.643 -8.124 0.767 472 HB2 PRO 64 1HB PRO 64 -18.863 -8.339 -1.825 473 HB3 PRO 64 2HB PRO 64 -19.465 -6.831 -1.125 474 HG2 PRO 64 1HG PRO 64 -16.641 -7.699 -1.611 475 HG3 PRO 64 2HG PRO 64 -17.392 -6.118 -1.900 476 HD2 PRO 64 1HD PRO 64 -15.859 -6.628 0.274 477 HD3 PRO 64 2HD PRO 64 -17.224 -5.494 0.313 478 H HIS 65 H HIS 65 -16.459 -9.216 -0.425 479 HA HIS 65 HA HIS 65 -17.048 -11.761 -1.206 480 HB2 HIS 65 1HB HIS 65 -14.762 -12.303 -0.924 481 HB3 HIS 65 2HB HIS 65 -14.791 -10.572 -1.248 482 HD1 HIS 65 1HD HIS 65 -14.032 -9.004 0.631 483 HD2 HIS 65 2HD HIS 65 -14.008 -13.019 1.698 484 HE1 HIS 65 1HE HIS 65 -12.779 -9.113 2.808 485 H LYS 66 H LYS 66 -17.163 -10.499 1.983 486 HA LYS 66 HA LYS 66 -17.499 -13.215 3.075 487 HB2 LYS 66 1HB LYS 66 -16.348 -10.711 4.228 488 HB3 LYS 66 2HB LYS 66 -17.142 -11.848 5.309 489 HG2 LYS 66 1HG LYS 66 -15.112 -12.907 3.421 490 HG3 LYS 66 2HG LYS 66 -14.557 -11.972 4.811 491 HD2 LYS 66 1HD LYS 66 -16.475 -14.274 5.073 492 HD3 LYS 66 2HD LYS 66 -14.724 -14.490 5.118 493 HE2 LYS 66 1HE LYS 66 -14.546 -13.056 7.041 494 HE3 LYS 66 2HE LYS 66 -16.257 -12.643 6.942 495 HZ1 LYS 66 1HZ LYS 66 -15.046 -14.816 8.261 496 HZ2 LYS 66 2HZ LYS 66 -16.087 -15.414 7.070 497 HZ3 LYS 66 3HZ LYS 66 -16.675 -14.359 8.254 498 H LYS 67 H LYS 67 -19.691 -13.394 2.593 499 HA LYS 67 HA LYS 67 -21.444 -12.122 4.492 500 HB2 LYS 67 1HB LYS 67 -21.527 -11.441 1.575 501 HB3 LYS 67 2HB LYS 67 -23.023 -11.481 2.500 502 HG2 LYS 67 1HG LYS 67 -21.985 -9.865 4.097 503 HG3 LYS 67 2HG LYS 67 -20.623 -9.732 2.981 504 HD2 LYS 67 1HD LYS 67 -21.869 -8.640 1.381 505 HD3 LYS 67 2HD LYS 67 -23.394 -9.323 1.950 506 HE2 LYS 67 1HE LYS 67 -23.367 -6.997 2.507 507 HE3 LYS 67 2HE LYS 67 -23.178 -7.918 3.998 508 HZ1 LYS 67 1HZ LYS 67 -21.657 -6.042 3.908 509 HZ2 LYS 67 2HZ LYS 67 -20.975 -6.631 2.477 510 HZ3 LYS 67 3HZ LYS 67 -20.802 -7.503 3.916 511 H SER 68 H SER 68 -23.227 -13.344 4.924 512 HA SER 68 HA SER 68 -23.243 -16.041 4.182 513 HB2 SER 68 1HB SER 68 -25.502 -14.370 5.311 514 HB3 SER 68 2HB SER 68 -25.465 -16.132 5.268 515 HG SER 68 HG SER 68 -24.719 -14.939 7.261 516 H GLY 69 H GLY 69 -25.036 -13.276 2.915 517 HA2 GLY 69 1HA GLY 69 -25.292 -13.831 0.347 518 HA3 GLY 69 2HA GLY 69 -26.433 -14.993 1.006 519 HA PRO 70 HA PRO 70 -28.137 -10.494 0.646 520 HB2 PRO 70 1HB PRO 70 -29.021 -10.448 -1.920 521 HB3 PRO 70 2HB PRO 70 -27.414 -9.885 -1.447 522 HG2 PRO 70 1HG PRO 70 -28.228 -12.509 -2.636 523 HG3 PRO 70 2HG PRO 70 -26.833 -11.487 -3.030 524 HD2 PRO 70 1HD PRO 70 -26.635 -13.678 -1.452 525 HD3 PRO 70 2HD PRO 70 -25.610 -12.246 -1.230 526 H SER 71 H SER 71 -30.466 -9.971 -0.135 527 HA SER 71 HA SER 71 -32.265 -12.160 -0.495 528 HB2 SER 71 1HB SER 71 -31.664 -12.324 1.958 529 HB3 SER 71 2HB SER 71 -32.439 -10.756 2.176 530 HG SER 71 HG SER 71 -33.637 -12.996 2.330 531 H SER 72 H SER 72 -33.533 -11.225 -1.957 532 HA SER 72 HA SER 72 -35.056 -8.876 -1.222 533 HB2 SER 72 1HB SER 72 -32.943 -7.992 -2.269 534 HB3 SER 72 2HB SER 72 -33.408 -8.813 -3.759 535 HG SER 72 HG SER 72 -34.099 -6.430 -3.084 536 H GLY 73 H GLY 73 -36.910 -8.550 -2.536 537 HA2 GLY 73 1HA GLY 73 -37.533 -9.984 -4.857 538 HA3 GLY 73 2HA GLY 73 -38.097 -10.925 -3.485 Start of MODEL 16 1 H1 GLY 1 H GLY 1 8.454 0.553 -6.115 2 HA2 GLY 1 1HA GLY 1 9.901 -0.691 -3.925 3 HA3 GLY 1 2HA GLY 1 8.265 -0.176 -3.543 4 H SER 2 H SER 2 10.229 -2.501 -5.165 5 HA SER 2 HA SER 2 7.901 -4.218 -5.500 6 HB2 SER 2 1HB SER 2 8.414 -2.880 -7.669 7 HB3 SER 2 2HB SER 2 9.797 -3.963 -7.820 8 HG SER 2 HG SER 2 7.323 -5.125 -7.293 9 H SER 3 H SER 3 8.381 -6.116 -4.639 10 HA SER 3 HA SER 3 11.102 -7.179 -4.944 11 HB2 SER 3 1HB SER 3 10.588 -6.095 -2.634 12 HB3 SER 3 2HB SER 3 9.616 -7.541 -2.356 13 HG SER 3 HG SER 3 12.341 -7.236 -2.398 14 H GLY 4 H GLY 4 11.125 -9.564 -4.158 15 HA2 GLY 4 1HA GLY 4 9.772 -11.186 -5.820 16 HA3 GLY 4 2HA GLY 4 10.222 -11.700 -4.201 17 H SER 5 H SER 5 7.945 -12.595 -5.665 18 HA SER 5 HA SER 5 5.719 -11.352 -4.204 19 HB2 SER 5 1HB SER 5 5.652 -13.221 -6.586 20 HB3 SER 5 2HB SER 5 4.249 -12.462 -5.833 21 HG SER 5 HG SER 5 5.737 -11.483 -7.752 22 H SER 6 H SER 6 4.481 -12.491 -2.795 23 HA SER 6 HA SER 6 5.506 -15.109 -1.997 24 HB2 SER 6 1HB SER 6 5.331 -13.597 -0.164 25 HB3 SER 6 2HB SER 6 3.703 -13.106 -0.634 26 HG SER 6 HG SER 6 4.541 -15.580 0.455 27 H GLY 7 H GLY 7 4.584 -16.286 -3.759 28 HA2 GLY 7 1HA GLY 7 2.928 -17.968 -4.091 29 HA3 GLY 7 2HA GLY 7 1.762 -16.940 -3.273 30 H LYS 8 H LYS 8 0.486 -15.623 -4.452 31 HA LYS 8 HA LYS 8 1.026 -15.481 -7.347 32 HB2 LYS 8 1HB LYS 8 -1.423 -15.381 -7.671 33 HB3 LYS 8 2HB LYS 8 -0.904 -16.884 -6.919 34 HG2 LYS 8 1HG LYS 8 -1.437 -15.538 -4.706 35 HG3 LYS 8 2HG LYS 8 -2.501 -14.650 -5.799 36 HD2 LYS 8 1HD LYS 8 -3.594 -16.722 -6.451 37 HD3 LYS 8 2HD LYS 8 -2.495 -17.646 -5.424 38 HE2 LYS 8 1HE LYS 8 -4.173 -15.451 -4.272 39 HE3 LYS 8 2HE LYS 8 -4.862 -17.050 -4.548 40 HZ1 LYS 8 1HZ LYS 8 -3.089 -17.986 -3.170 41 HZ2 LYS 8 2HZ LYS 8 -4.029 -16.875 -2.308 42 HZ3 LYS 8 3HZ LYS 8 -2.494 -16.432 -2.866 43 H ALA 9 H ALA 9 -0.335 -13.801 -4.549 44 HA ALA 9 HA ALA 9 -0.514 -11.587 -4.047 45 HB1 ALA 9 1HB ALA 9 1.586 -10.892 -4.436 46 HB2 ALA 9 2HB ALA 9 1.663 -11.673 -6.016 47 HB3 ALA 9 3HB ALA 9 0.871 -10.107 -5.844 48 H LYS 10 H LYS 10 -2.528 -12.760 -5.593 49 HA LYS 10 HA LYS 10 -3.320 -10.547 -7.372 50 HB2 LYS 10 1HB LYS 10 -3.686 -13.494 -7.552 51 HB3 LYS 10 2HB LYS 10 -4.997 -12.481 -8.143 52 HG2 LYS 10 1HG LYS 10 -3.521 -13.066 -9.956 53 HG3 LYS 10 2HG LYS 10 -3.417 -11.334 -9.634 54 HD2 LYS 10 1HD LYS 10 -1.282 -11.474 -8.825 55 HD3 LYS 10 2HD LYS 10 -1.494 -13.130 -8.249 56 HE2 LYS 10 1HE LYS 10 -1.373 -13.966 -10.519 57 HE3 LYS 10 2HE LYS 10 -1.274 -12.322 -11.147 58 HZ1 LYS 10 1HZ LYS 10 0.893 -13.472 -11.005 59 HZ2 LYS 10 2HZ LYS 10 0.733 -13.528 -9.323 60 HZ3 LYS 10 3HZ LYS 10 0.844 -12.036 -10.112 61 HA PRO 11 HA PRO 11 -6.613 -9.640 -4.595 62 HB2 PRO 11 1HB PRO 11 -8.306 -8.402 -6.318 63 HB3 PRO 11 2HB PRO 11 -6.819 -7.651 -5.726 64 HG2 PRO 11 1HG PRO 11 -7.335 -9.034 -8.330 65 HG3 PRO 11 2HG PRO 11 -6.448 -7.530 -8.018 66 HD2 PRO 11 1HD PRO 11 -5.201 -9.897 -8.434 67 HD3 PRO 11 2HD PRO 11 -4.539 -8.643 -7.366 68 H VAL 12 H VAL 12 -8.830 -10.142 -4.144 69 HA VAL 12 HA VAL 12 -9.908 -12.347 -5.778 70 HB VAL 12 HB VAL 12 -10.892 -13.262 -3.679 71 HG11 VAL 12 1HG1 VAL 12 -7.894 -13.050 -3.499 72 HG12 VAL 12 2HG1 VAL 12 -8.922 -14.388 -2.980 73 HG13 VAL 12 3HG1 VAL 12 -8.724 -14.041 -4.698 74 HG21 VAL 12 1HG2 VAL 12 -9.157 -12.162 -1.759 75 HG22 VAL 12 2HG2 VAL 12 -9.878 -10.801 -2.619 76 HG23 VAL 12 3HG2 VAL 12 -10.912 -12.004 -1.847 77 H ALA 13 H ALA 13 -10.470 -9.336 -4.237 78 HA ALA 13 HA ALA 13 -13.131 -9.215 -5.380 79 HB1 ALA 13 1HB ALA 13 -12.639 -9.214 -2.429 80 HB2 ALA 13 2HB ALA 13 -13.991 -8.309 -3.110 81 HB3 ALA 13 3HB ALA 13 -13.883 -10.052 -3.356 82 H THR 14 H THR 14 -13.571 -7.224 -6.114 83 HA THR 14 HA THR 14 -11.957 -4.978 -5.098 84 HB THR 14 HB THR 14 -12.736 -5.418 -7.987 85 HG1 THR 14 1HG THR 14 -10.442 -6.016 -6.503 86 HG21 THR 14 1HG2 THR 14 -10.698 -3.515 -7.775 87 HG22 THR 14 2HG2 THR 14 -11.860 -3.093 -6.517 88 HG23 THR 14 3HG2 THR 14 -12.386 -3.224 -8.195 89 H ALA 15 H ALA 15 -13.151 -3.372 -4.328 90 HA ALA 15 HA ALA 15 -15.815 -2.899 -5.480 91 HB1 ALA 15 1HB ALA 15 -16.486 -2.273 -3.065 92 HB2 ALA 15 2HB ALA 15 -16.421 -3.977 -3.517 93 HB3 ALA 15 3HB ALA 15 -15.100 -3.258 -2.596 94 HA PRO 16 HA PRO 16 -14.038 1.177 -5.802 95 HB2 PRO 16 1HB PRO 16 -16.208 2.332 -6.954 96 HB3 PRO 16 2HB PRO 16 -15.082 1.302 -7.845 97 HG2 PRO 16 1HG PRO 16 -17.749 0.618 -6.671 98 HG3 PRO 16 2HG PRO 16 -17.072 0.168 -8.247 99 HD2 PRO 16 1HD PRO 16 -17.100 -1.527 -6.135 100 HD3 PRO 16 2HD PRO 16 -15.812 -1.545 -7.356 101 H ILE 17 H ILE 17 -13.924 2.659 -4.244 102 HA ILE 17 HA ILE 17 -15.875 2.789 -2.157 103 HB ILE 17 HB ILE 17 -13.481 4.547 -2.705 104 HG12 ILE 17 1HG1 ILE 17 -13.926 2.072 -1.058 105 HG13 ILE 17 2HG1 ILE 17 -12.650 2.406 -2.224 106 HG21 ILE 17 1HG2 ILE 17 -13.760 5.528 -0.595 107 HG22 ILE 17 2HG2 ILE 17 -15.375 5.527 -1.301 108 HG23 ILE 17 3HG2 ILE 17 -14.941 4.319 -0.092 109 HD11 ILE 17 1HD1 ILE 17 -11.731 4.083 -0.650 110 HD12 ILE 17 2HD1 ILE 17 -12.943 3.579 0.528 111 HD13 ILE 17 3HD1 ILE 17 -11.721 2.434 -0.025 112 HA PRO 18 HA PRO 18 -18.534 5.847 -3.909 113 HB2 PRO 18 1HB PRO 18 -19.784 6.611 -1.623 114 HB3 PRO 18 2HB PRO 18 -20.121 5.078 -2.436 115 HG2 PRO 18 1HG PRO 18 -18.375 5.621 -0.066 116 HG3 PRO 18 2HG PRO 18 -19.524 4.296 -0.329 117 HD2 PRO 18 1HD PRO 18 -16.854 3.996 -0.661 118 HD3 PRO 18 2HD PRO 18 -18.043 3.102 -1.629 119 H GLY 19 H GLY 19 -18.008 7.846 -4.518 120 HA2 GLY 19 1HA GLY 19 -17.662 10.150 -4.136 121 HA3 GLY 19 2HA GLY 19 -17.122 9.776 -2.507 122 H THR 20 H THR 20 -15.126 8.021 -2.818 123 HA THR 20 HA THR 20 -13.111 9.623 -4.213 124 HB THR 20 HB THR 20 -11.533 8.854 -2.738 125 HG1 THR 20 1HG THR 20 -13.027 6.485 -2.823 126 HG21 THR 20 1HG2 THR 20 -14.171 8.639 -1.303 127 HG22 THR 20 2HG2 THR 20 -13.042 9.993 -1.320 128 HG23 THR 20 3HG2 THR 20 -12.626 8.508 -0.465 129 HA PRO 21 HA PRO 21 -12.554 6.692 -7.443 130 HB2 PRO 21 1HB PRO 21 -9.949 7.154 -8.050 131 HB3 PRO 21 2HB PRO 21 -11.246 8.279 -8.468 132 HG2 PRO 21 1HG PRO 21 -9.327 8.369 -6.171 133 HG3 PRO 21 2HG PRO 21 -9.874 9.686 -7.225 134 HD2 PRO 21 1HD PRO 21 -10.887 9.288 -4.746 135 HD3 PRO 21 2HD PRO 21 -11.855 9.951 -6.078 136 H TRP 22 H TRP 22 -11.068 6.419 -4.441 137 HA TRP 22 HA TRP 22 -9.275 4.272 -4.944 138 HB2 TRP 22 1HB TRP 22 -10.605 5.257 -2.417 139 HB3 TRP 22 2HB TRP 22 -9.442 3.934 -2.441 140 HD1 TRP 22 HD TRP 22 -9.675 7.709 -2.598 141 HE1 TRP 22 1HE TRP 22 -7.303 8.706 -2.549 142 HE3 TRP 22 3HE TRP 22 -6.974 3.409 -3.192 143 HZ2 TRP 22 2HZ TRP 22 -4.639 7.792 -2.738 144 HZ3 TRP 22 3HZ TRP 22 -4.518 3.557 -3.248 145 HH2 TRP 22 HH TRP 22 -3.377 5.704 -3.026 146 H CYS 23 H CYS 23 -9.544 2.076 -4.729 147 HA CYS 23 HA CYS 23 -12.306 1.124 -4.355 148 HB2 CYS 23 1HB CYS 23 -11.515 -0.763 -5.979 149 HB3 CYS 23 2HB CYS 23 -12.034 0.786 -6.633 150 HG CYS 23 HG CYS 23 -8.771 0.731 -5.996 151 H VAL 24 H VAL 24 -12.486 -0.165 -2.657 152 HA VAL 24 HA VAL 24 -10.244 -1.160 -1.231 153 HB VAL 24 HB VAL 24 -13.107 -2.069 -0.941 154 HG11 VAL 24 1HG1 VAL 24 -12.076 -3.469 0.489 155 HG12 VAL 24 2HG1 VAL 24 -10.620 -2.474 0.577 156 HG13 VAL 24 3HG1 VAL 24 -12.036 -2.055 1.542 157 HG21 VAL 24 1HG2 VAL 24 -11.741 0.436 -0.093 158 HG22 VAL 24 2HG2 VAL 24 -13.395 0.187 -0.654 159 HG23 VAL 24 3HG2 VAL 24 -12.939 -0.280 0.985 160 H VAL 25 H VAL 25 -9.016 -2.504 -2.525 161 HA VAL 25 HA VAL 25 -10.300 -4.901 -3.619 162 HB VAL 25 HB VAL 25 -7.498 -3.858 -4.056 163 HG11 VAL 25 1HG1 VAL 25 -7.135 -5.991 -4.659 164 HG12 VAL 25 2HG1 VAL 25 -8.857 -6.355 -4.787 165 HG13 VAL 25 3HG1 VAL 25 -8.023 -5.548 -6.116 166 HG21 VAL 25 1HG2 VAL 25 -8.205 -2.981 -6.105 167 HG22 VAL 25 2HG2 VAL 25 -9.718 -3.888 -6.076 168 HG23 VAL 25 3HG2 VAL 25 -9.486 -2.525 -4.981 169 H TRP 26 H TRP 26 -10.121 -6.803 -2.640 170 HA TRP 26 HA TRP 26 -8.318 -7.045 -0.354 171 HB2 TRP 26 1HB TRP 26 -10.671 -8.680 -1.301 172 HB3 TRP 26 2HB TRP 26 -9.621 -9.205 0.012 173 HD1 TRP 26 HD TRP 26 -9.939 -8.067 2.360 174 HE1 TRP 26 1HE TRP 26 -11.688 -6.437 3.312 175 HE3 TRP 26 3HE TRP 26 -12.181 -6.640 -2.007 176 HZ2 TRP 26 2HZ TRP 26 -13.746 -4.767 2.341 177 HZ3 TRP 26 3HZ TRP 26 -14.033 -5.022 -1.908 178 HH2 TRP 26 HH TRP 26 -14.798 -4.107 0.222 179 H THR 27 H THR 27 -7.290 -9.242 -0.036 180 HA THR 27 HA THR 27 -6.336 -10.337 -2.598 181 HB THR 27 HB THR 27 -4.099 -10.675 -1.476 182 HG1 THR 27 1HG THR 27 -4.238 -10.291 0.621 183 HG21 THR 27 1HG2 THR 27 -3.294 -8.574 -2.119 184 HG22 THR 27 2HG2 THR 27 -4.777 -7.754 -1.629 185 HG23 THR 27 3HG2 THR 27 -4.765 -8.768 -3.072 186 H GLY 28 H GLY 28 -4.948 -12.431 -2.023 187 HA2 GLY 28 1HA GLY 28 -6.830 -14.239 -0.804 188 HA3 GLY 28 2HA GLY 28 -5.301 -14.671 -1.554 189 H ASP 29 H ASP 29 -4.072 -12.512 0.271 190 HA ASP 29 HA ASP 29 -3.530 -14.351 2.460 191 HB2 ASP 29 1HB ASP 29 -1.819 -12.882 1.079 192 HB3 ASP 29 2HB ASP 29 -2.253 -11.656 2.267 193 H GLU 30 H GLU 30 -6.117 -13.341 2.528 194 HA GLU 30 HA GLU 30 -7.612 -12.117 3.767 195 HB2 GLU 30 1HB GLU 30 -5.596 -13.204 5.696 196 HB3 GLU 30 2HB GLU 30 -6.892 -12.174 6.289 197 HG2 GLU 30 1HG GLU 30 -8.469 -13.772 5.065 198 HG3 GLU 30 2HG GLU 30 -7.085 -14.860 4.980 199 H ARG 31 H ARG 31 -5.899 -10.404 2.430 200 HA ARG 31 HA ARG 31 -5.661 -8.209 4.373 201 HB2 ARG 31 1HB ARG 31 -3.641 -9.231 2.440 202 HB3 ARG 31 2HB ARG 31 -3.739 -7.490 2.670 203 HG2 ARG 31 1HG ARG 31 -3.592 -9.236 5.073 204 HG3 ARG 31 2HG ARG 31 -2.131 -8.971 4.120 205 HD2 ARG 31 1HD ARG 31 -2.147 -6.669 4.519 206 HD3 ARG 31 2HD ARG 31 -3.839 -6.676 5.013 207 HE ARG 31 HE ARG 31 -3.193 -7.280 7.136 208 HH11 ARG 31 2HH1 ARG 31 -0.500 -7.596 4.953 209 HH12 ARG 31 1HH1 ARG 31 0.661 -7.846 6.215 210 HH21 ARG 31 2HH2 ARG 31 -1.675 -7.607 8.806 211 HH22 ARG 31 1HH2 ARG 31 -0.008 -7.853 8.406 212 H VAL 32 H VAL 32 -5.646 -6.043 3.309 213 HA VAL 32 HA VAL 32 -7.016 -5.982 0.722 214 HB VAL 32 HB VAL 32 -8.829 -5.937 2.332 215 HG11 VAL 32 1HG1 VAL 32 -8.232 -5.188 4.370 216 HG12 VAL 32 2HG1 VAL 32 -7.041 -4.059 3.721 217 HG13 VAL 32 3HG1 VAL 32 -8.751 -3.627 3.734 218 HG21 VAL 32 1HG2 VAL 32 -9.845 -4.520 0.960 219 HG22 VAL 32 2HG2 VAL 32 -9.109 -3.159 1.806 220 HG23 VAL 32 3HG2 VAL 32 -8.280 -3.898 0.437 221 H PHE 33 H PHE 33 -6.527 -4.236 -0.522 222 HA PHE 33 HA PHE 33 -4.900 -2.109 0.696 223 HB2 PHE 33 1HB PHE 33 -3.460 -2.089 -1.292 224 HB3 PHE 33 2HB PHE 33 -3.411 -3.656 -0.490 225 HD1 PHE 33 2HD PHE 33 -4.502 -1.826 -3.457 226 HD2 PHE 33 1HD PHE 33 -4.361 -5.617 -1.529 227 HE1 PHE 33 2HE PHE 33 -5.097 -2.922 -5.578 228 HE2 PHE 33 1HE PHE 33 -4.955 -6.720 -3.646 229 HZ PHE 33 HZ PHE 33 -5.325 -5.373 -5.674 230 H PHE 34 H PHE 34 -4.856 -0.103 -0.551 231 HA PHE 34 HA PHE 34 -7.444 0.357 -1.845 232 HB2 PHE 34 1HB PHE 34 -5.471 2.448 -0.922 233 HB3 PHE 34 2HB PHE 34 -7.174 2.672 -1.308 234 HD1 PHE 34 2HD PHE 34 -4.810 1.286 1.145 235 HD2 PHE 34 1HD PHE 34 -8.875 2.212 0.287 236 HE1 PHE 34 2HE PHE 34 -5.387 0.926 3.509 237 HE2 PHE 34 1HE PHE 34 -9.459 1.854 2.650 238 HZ PHE 34 HZ PHE 34 -7.714 1.209 4.265 239 H TYR 35 H TYR 35 -7.533 0.460 -3.979 240 HA TYR 35 HA TYR 35 -5.103 1.234 -5.456 241 HB2 TYR 35 1HB TYR 35 -5.629 -1.026 -5.995 242 HB3 TYR 35 2HB TYR 35 -7.339 -0.656 -6.186 243 HD1 TYR 35 1HD TYR 35 -4.171 0.765 -7.588 244 HD2 TYR 35 2HD TYR 35 -8.026 -0.855 -8.372 245 HE1 TYR 35 1HE TYR 35 -3.820 1.112 -9.997 246 HE2 TYR 35 2HE TYR 35 -7.685 -0.514 -10.784 247 HH TYR 35 HH TYR 35 -5.944 -0.209 -12.373 248 H ASN 36 H ASN 36 -5.367 2.494 -7.374 249 HA ASN 36 HA ASN 36 -7.932 3.905 -7.605 250 HB2 ASN 36 1HB ASN 36 -6.305 5.255 -6.255 251 HB3 ASN 36 2HB ASN 36 -5.245 5.291 -7.661 252 HD21 ASN 36 1HD2 ASN 36 -6.513 7.487 -6.254 253 HD22 ASN 36 2HD2 ASN 36 -7.476 8.320 -7.422 254 HA PRO 37 HA PRO 37 -6.816 2.501 -11.776 255 HB2 PRO 37 1HB PRO 37 -9.368 2.556 -12.699 256 HB3 PRO 37 2HB PRO 37 -8.713 1.206 -11.765 257 HG2 PRO 37 1HG PRO 37 -10.424 3.487 -10.853 258 HG3 PRO 37 2HG PRO 37 -10.541 1.767 -10.440 259 HD2 PRO 37 1HD PRO 37 -9.403 3.587 -8.789 260 HD3 PRO 37 2HD PRO 37 -8.858 1.899 -8.871 261 H THR 38 H THR 38 -7.842 5.407 -10.510 262 HA THR 38 HA THR 38 -8.227 6.715 -13.094 263 HB THR 38 HB THR 38 -8.364 7.931 -10.329 264 HG1 THR 38 1HG THR 38 -10.263 6.612 -11.935 265 HG21 THR 38 1HG2 THR 38 -9.329 9.827 -11.339 266 HG22 THR 38 2HG2 THR 38 -9.585 8.986 -12.868 267 HG23 THR 38 3HG2 THR 38 -7.953 9.423 -12.364 268 H THR 39 H THR 39 -5.941 6.522 -10.447 269 HA THR 39 HA THR 39 -4.122 8.286 -11.955 270 HB THR 39 HB THR 39 -3.063 8.925 -9.859 271 HG1 THR 39 1HG THR 39 -5.086 7.672 -8.361 272 HG21 THR 39 1HG2 THR 39 -5.875 9.357 -9.093 273 HG22 THR 39 2HG2 THR 39 -5.461 9.828 -10.742 274 HG23 THR 39 3HG2 THR 39 -4.585 10.524 -9.379 275 H ARG 40 H ARG 40 -4.679 5.179 -11.458 276 HA ARG 40 HA ARG 40 -3.452 3.263 -11.479 277 HB2 ARG 40 1HB ARG 40 -1.361 5.169 -12.540 278 HB3 ARG 40 2HB ARG 40 -1.195 3.419 -12.544 279 HG2 ARG 40 1HG ARG 40 -3.471 3.507 -13.831 280 HG3 ARG 40 2HG ARG 40 -2.964 5.159 -14.186 281 HD2 ARG 40 1HD ARG 40 -1.017 2.944 -14.595 282 HD3 ARG 40 2HD ARG 40 -2.316 3.152 -15.767 283 HE ARG 40 HE ARG 40 -0.875 5.571 -15.180 284 HH11 ARG 40 2HH1 ARG 40 -0.995 2.707 -17.155 285 HH12 ARG 40 1HH1 ARG 40 -0.064 3.399 -18.443 286 HH21 ARG 40 2HH2 ARG 40 0.351 6.493 -16.868 287 HH22 ARG 40 1HH2 ARG 40 0.701 5.551 -18.278 288 H LEU 41 H LEU 41 -3.535 4.764 -9.025 289 HA LEU 41 HA LEU 41 -0.887 4.242 -7.869 290 HB2 LEU 41 1HB LEU 41 -2.299 6.461 -7.635 291 HB3 LEU 41 2HB LEU 41 -3.073 5.557 -6.336 292 HG LEU 41 HG LEU 41 -1.195 7.113 -5.668 293 HD11 LEU 41 1HD1 LEU 41 -0.063 5.010 -4.394 294 HD12 LEU 41 2HD1 LEU 41 -1.596 4.305 -4.906 295 HD13 LEU 41 3HD1 LEU 41 -1.584 5.764 -3.916 296 HD21 LEU 41 1HD2 LEU 41 0.165 5.978 -7.720 297 HD22 LEU 41 2HD2 LEU 41 0.792 5.061 -6.350 298 HD23 LEU 41 3HD2 LEU 41 0.920 6.820 -6.367 299 H SER 42 H SER 42 -0.575 2.736 -6.316 300 HA SER 42 HA SER 42 -2.900 1.411 -5.130 301 HB2 SER 42 1HB SER 42 -1.724 -0.818 -5.544 302 HB3 SER 42 2HB SER 42 -2.464 -0.052 -6.950 303 HG SER 42 HG SER 42 0.232 0.451 -6.332 304 H MET 43 H MET 43 -2.628 1.576 -3.012 305 HA MET 43 HA MET 43 0.080 1.200 -1.913 306 HB2 MET 43 1HB MET 43 -2.005 2.815 -0.489 307 HB3 MET 43 2HB MET 43 -0.255 2.875 -0.328 308 HG2 MET 43 1HG MET 43 -0.436 3.668 -2.852 309 HG3 MET 43 2HG MET 43 -2.030 4.180 -2.304 310 HE1 MET 43 1HE MET 43 -1.672 4.540 0.477 311 HE2 MET 43 2HE MET 43 -0.083 5.010 1.083 312 HE3 MET 43 3HE MET 43 -1.299 6.244 0.744 313 H TRP 44 H TRP 44 0.222 0.174 0.148 314 HA TRP 44 HA TRP 44 -1.865 -1.815 0.532 315 HB2 TRP 44 1HB TRP 44 0.971 -1.514 1.436 316 HB3 TRP 44 2HB TRP 44 -0.104 -2.577 2.339 317 HD1 TRP 44 HD TRP 44 2.046 -2.482 -0.704 318 HE1 TRP 44 1HE TRP 44 1.794 -4.673 -2.032 319 HE3 TRP 44 3HE TRP 44 -2.034 -4.418 1.692 320 HZ2 TRP 44 2HZ TRP 44 0.090 -6.923 -2.060 321 HZ3 TRP 44 3HZ TRP 44 -2.913 -6.594 0.953 322 HH2 TRP 44 HH TRP 44 -1.872 -7.819 -0.884 323 H ASP 45 H ASP 45 -1.031 1.194 1.787 324 HA ASP 45 HA ASP 45 -2.506 0.648 4.280 325 HB2 ASP 45 1HB ASP 45 -0.297 2.614 3.689 326 HB3 ASP 45 2HB ASP 45 -1.335 2.766 5.105 327 H ARG 46 H ARG 46 -3.714 2.570 5.128 328 HA ARG 46 HA ARG 46 -5.437 3.569 3.067 329 HB2 ARG 46 1HB ARG 46 -5.999 2.914 5.531 330 HB3 ARG 46 2HB ARG 46 -5.492 4.557 5.897 331 HG2 ARG 46 1HG ARG 46 -7.457 4.188 3.711 332 HG3 ARG 46 2HG ARG 46 -8.009 3.933 5.368 333 HD2 ARG 46 1HD ARG 46 -6.761 6.215 5.776 334 HD3 ARG 46 2HD ARG 46 -7.030 6.416 4.045 335 HE ARG 46 HE ARG 46 -9.273 6.700 4.452 336 HH11 ARG 46 2HH1 ARG 46 -7.709 5.491 7.318 337 HH12 ARG 46 1HH1 ARG 46 -9.090 5.738 8.334 338 HH21 ARG 46 2HH2 ARG 46 -11.099 7.030 5.780 339 HH22 ARG 46 1HH2 ARG 46 -11.018 6.613 7.458 340 HA PRO 47 HA PRO 47 -2.852 7.169 2.378 341 HB2 PRO 47 1HB PRO 47 -4.293 8.094 0.271 342 HB3 PRO 47 2HB PRO 47 -3.129 6.770 0.132 343 HG2 PRO 47 1HG PRO 47 -6.110 6.653 0.387 344 HG3 PRO 47 2HG PRO 47 -5.040 5.717 -0.673 345 HD2 PRO 47 1HD PRO 47 -6.049 4.715 1.632 346 HD3 PRO 47 2HD PRO 47 -4.455 4.249 1.006 347 H ASP 48 H ASP 48 -3.137 9.451 2.522 348 HA ASP 48 HA ASP 48 -4.928 10.319 4.467 349 HB2 ASP 48 1HB ASP 48 -4.355 12.657 3.383 350 HB3 ASP 48 2HB ASP 48 -3.127 11.741 4.253 351 H ASP 49 H ASP 49 -5.070 10.818 0.944 352 HA ASP 49 HA ASP 49 -7.270 12.324 0.610 353 HB2 ASP 49 1HB ASP 49 -6.390 9.872 -0.893 354 HB3 ASP 49 2HB ASP 49 -7.822 10.772 -1.385 355 H LEU 50 H LEU 50 -7.207 9.126 1.939 356 HA LEU 50 HA LEU 50 -10.143 9.021 1.949 357 HB2 LEU 50 1HB LEU 50 -8.071 6.887 2.421 358 HB3 LEU 50 2HB LEU 50 -9.803 6.641 2.635 359 HG LEU 50 HG LEU 50 -8.520 7.414 0.018 360 HD11 LEU 50 1HD1 LEU 50 -8.245 4.989 1.291 361 HD12 LEU 50 2HD1 LEU 50 -8.088 5.277 -0.441 362 HD13 LEU 50 3HD1 LEU 50 -9.627 4.735 0.225 363 HD21 LEU 50 1HD2 LEU 50 -11.223 6.188 0.452 364 HD22 LEU 50 2HD2 LEU 50 -10.607 7.043 -0.962 365 HD23 LEU 50 3HD2 LEU 50 -10.981 7.934 0.514 366 H ILE 51 H ILE 51 -7.325 9.192 3.987 367 HA ILE 51 HA ILE 51 -8.230 8.416 6.446 368 HB ILE 51 HB ILE 51 -6.453 10.729 5.705 369 HG12 ILE 51 1HG1 ILE 51 -5.909 8.025 6.950 370 HG13 ILE 51 2HG1 ILE 51 -5.601 8.464 5.273 371 HG21 ILE 51 1HG2 ILE 51 -5.962 10.102 8.373 372 HG22 ILE 51 2HG2 ILE 51 -6.714 11.568 7.746 373 HG23 ILE 51 3HG2 ILE 51 -7.718 10.206 8.244 374 HD11 ILE 51 1HD1 ILE 51 -3.676 9.474 5.774 375 HD12 ILE 51 2HD1 ILE 51 -4.336 10.233 7.224 376 HD13 ILE 51 3HD1 ILE 51 -3.776 8.561 7.279 377 H GLY 52 H GLY 52 -10.099 8.863 7.410 378 HA2 GLY 52 1HA GLY 52 -11.231 10.595 8.747 379 HA3 GLY 52 2HA GLY 52 -11.039 11.664 7.366 380 H ARG 53 H ARG 53 -11.721 9.481 5.477 381 HA ARG 53 HA ARG 53 -14.508 9.962 5.338 382 HB2 ARG 53 1HB ARG 53 -12.584 8.235 3.829 383 HB3 ARG 53 2HB ARG 53 -14.312 8.017 3.587 384 HG2 ARG 53 1HG ARG 53 -14.297 10.598 3.212 385 HG3 ARG 53 2HG ARG 53 -12.580 10.340 2.896 386 HD2 ARG 53 1HD ARG 53 -13.362 10.036 0.786 387 HD3 ARG 53 2HD ARG 53 -13.558 8.388 1.380 388 HE ARG 53 HE ARG 53 -15.805 8.636 1.120 389 HH11 ARG 53 2HH1 ARG 53 -14.375 11.797 1.400 390 HH12 ARG 53 1HH1 ARG 53 -15.862 12.638 1.114 391 HH21 ARG 53 2HH2 ARG 53 -17.770 9.732 0.742 392 HH22 ARG 53 1HH2 ARG 53 -17.792 11.463 0.740 393 H ALA 54 H ALA 54 -16.250 8.651 5.775 394 HA ALA 54 HA ALA 54 -15.766 6.537 7.715 395 HB1 ALA 54 1HB ALA 54 -17.775 8.478 7.358 396 HB2 ALA 54 2HB ALA 54 -18.544 6.904 7.154 397 HB3 ALA 54 3HB ALA 54 -17.650 7.264 8.631 398 H ASP 55 H ASP 55 -16.926 6.954 4.446 399 HA ASP 55 HA ASP 55 -18.146 4.438 4.106 400 HB2 ASP 55 1HB ASP 55 -17.430 4.933 1.608 401 HB3 ASP 55 2HB ASP 55 -18.699 5.870 2.392 402 H VAL 56 H VAL 56 -14.862 5.553 3.296 403 HA VAL 56 HA VAL 56 -13.870 3.178 2.255 404 HB VAL 56 HB VAL 56 -12.612 5.238 2.080 405 HG11 VAL 56 1HG1 VAL 56 -11.844 5.071 4.969 406 HG12 VAL 56 2HG1 VAL 56 -11.723 6.437 3.858 407 HG13 VAL 56 3HG1 VAL 56 -13.299 5.935 4.474 408 HG21 VAL 56 1HG2 VAL 56 -11.232 3.368 1.804 409 HG22 VAL 56 2HG2 VAL 56 -10.363 4.379 2.959 410 HG23 VAL 56 3HG2 VAL 56 -11.268 2.974 3.522 411 H ASP 57 H ASP 57 -14.402 4.127 5.568 412 HA ASP 57 HA ASP 57 -12.838 2.005 6.707 413 HB2 ASP 57 1HB ASP 57 -13.544 4.299 7.754 414 HB3 ASP 57 2HB ASP 57 -15.009 3.430 8.204 415 H LYS 58 H LYS 58 -16.342 2.656 6.555 416 HA LYS 58 HA LYS 58 -17.294 0.337 7.668 417 HB2 LYS 58 1HB LYS 58 -18.714 2.230 6.983 418 HB3 LYS 58 2HB LYS 58 -18.464 1.804 5.295 419 HG2 LYS 58 1HG LYS 58 -19.647 -0.260 5.576 420 HG3 LYS 58 2HG LYS 58 -19.758 -0.009 7.320 421 HD2 LYS 58 1HD LYS 58 -20.996 2.166 6.712 422 HD3 LYS 58 2HD LYS 58 -21.176 1.445 5.111 423 HE2 LYS 58 1HE LYS 58 -23.139 0.969 6.424 424 HE3 LYS 58 2HE LYS 58 -22.240 -0.524 6.162 425 HZ1 LYS 58 1HZ LYS 58 -21.352 0.703 8.536 426 HZ2 LYS 58 2HZ LYS 58 -22.091 -0.806 8.338 427 HZ3 LYS 58 3HZ LYS 58 -23.039 0.574 8.585 428 H ILE 59 H ILE 59 -16.537 0.875 4.231 429 HA ILE 59 HA ILE 59 -17.224 -1.582 3.203 430 HB ILE 59 HB ILE 59 -14.834 0.093 2.423 431 HG12 ILE 59 1HG1 ILE 59 -17.575 0.013 1.158 432 HG13 ILE 59 2HG1 ILE 59 -17.116 1.193 2.381 433 HG21 ILE 59 1HG2 ILE 59 -16.268 -2.108 0.945 434 HG22 ILE 59 2HG2 ILE 59 -15.064 -1.036 0.231 435 HG23 ILE 59 3HG2 ILE 59 -14.606 -2.133 1.534 436 HD11 ILE 59 1HD1 ILE 59 -15.163 1.131 0.284 437 HD12 ILE 59 2HD1 ILE 59 -16.778 1.379 -0.380 438 HD13 ILE 59 3HD1 ILE 59 -16.156 2.471 0.857 439 H ILE 60 H ILE 60 -14.015 -0.656 4.455 440 HA ILE 60 HA ILE 60 -12.810 -3.162 4.185 441 HB ILE 60 HB ILE 60 -12.244 -0.912 6.109 442 HG12 ILE 60 1HG1 ILE 60 -10.595 -1.847 3.765 443 HG13 ILE 60 2HG1 ILE 60 -11.899 -0.680 3.576 444 HG21 ILE 60 1HG2 ILE 60 -11.478 -2.980 7.120 445 HG22 ILE 60 2HG2 ILE 60 -10.635 -3.417 5.635 446 HG23 ILE 60 3HG2 ILE 60 -10.102 -2.022 6.573 447 HD11 ILE 60 1HD1 ILE 60 -9.902 -0.100 5.669 448 HD12 ILE 60 2HD1 ILE 60 -9.364 0.018 3.993 449 HD13 ILE 60 3HD1 ILE 60 -10.730 0.984 4.551 450 H GLN 61 H GLN 61 -14.575 -1.747 6.914 451 HA GLN 61 HA GLN 61 -14.151 -3.687 8.829 452 HB2 GLN 61 1HB GLN 61 -16.632 -2.055 8.279 453 HB3 GLN 61 2HB GLN 61 -16.401 -3.024 9.728 454 HG2 GLN 61 1HG GLN 61 -14.182 -1.613 9.899 455 HG3 GLN 61 2HG GLN 61 -15.108 -0.479 8.917 456 HE21 GLN 61 1HE2 GLN 61 -15.514 -2.517 11.794 457 HE22 GLN 61 2HE2 GLN 61 -16.388 -1.344 12.711 458 H GLU 62 H GLU 62 -16.938 -3.544 6.602 459 HA GLU 62 HA GLU 62 -17.209 -6.461 6.923 460 HB2 GLU 62 1HB GLU 62 -19.337 -4.416 6.264 461 HB3 GLU 62 2HB GLU 62 -19.594 -6.154 6.340 462 HG2 GLU 62 1HG GLU 62 -19.151 -6.191 8.682 463 HG3 GLU 62 2HG GLU 62 -18.628 -4.508 8.663 464 HA PRO 63 HA PRO 63 -15.924 -5.889 2.559 465 HB2 PRO 63 1HB PRO 63 -14.622 -8.267 2.417 466 HB3 PRO 63 2HB PRO 63 -13.875 -6.801 3.061 467 HG2 PRO 63 1HG PRO 63 -15.112 -9.099 4.528 468 HG3 PRO 63 2HG PRO 63 -13.610 -8.224 4.881 469 HD2 PRO 63 1HD PRO 63 -15.920 -7.748 6.212 470 HD3 PRO 63 2HD PRO 63 -14.718 -6.479 5.901 471 HA PRO 64 HA PRO 64 -19.222 -8.260 0.835 472 HB2 PRO 64 1HB PRO 64 -18.415 -8.301 -1.757 473 HB3 PRO 64 2HB PRO 64 -19.081 -6.859 -0.981 474 HG2 PRO 64 1HG PRO 64 -16.222 -7.588 -1.486 475 HG3 PRO 64 2HG PRO 64 -17.031 -6.024 -1.695 476 HD2 PRO 64 1HD PRO 64 -15.496 -6.593 0.461 477 HD3 PRO 64 2HD PRO 64 -16.905 -5.517 0.549 478 H HIS 65 H HIS 65 -16.008 -9.159 -0.440 479 HA HIS 65 HA HIS 65 -16.499 -11.683 -1.338 480 HB2 HIS 65 1HB HIS 65 -14.224 -12.031 -1.304 481 HB3 HIS 65 2HB HIS 65 -14.269 -10.279 -1.134 482 HD1 HIS 65 1HD HIS 65 -13.580 -9.291 1.149 483 HD2 HIS 65 2HD HIS 65 -13.349 -13.434 0.958 484 HE1 HIS 65 1HE HIS 65 -12.277 -9.986 3.185 485 H LYS 66 H LYS 66 -16.528 -10.597 1.939 486 HA LYS 66 HA LYS 66 -16.322 -13.234 3.092 487 HB2 LYS 66 1HB LYS 66 -16.660 -10.462 4.122 488 HB3 LYS 66 2HB LYS 66 -17.212 -11.780 5.147 489 HG2 LYS 66 1HG LYS 66 -14.465 -11.817 3.964 490 HG3 LYS 66 2HG LYS 66 -14.811 -10.896 5.429 491 HD2 LYS 66 1HD LYS 66 -14.147 -12.922 6.306 492 HD3 LYS 66 2HD LYS 66 -15.898 -13.131 6.233 493 HE2 LYS 66 1HE LYS 66 -15.784 -14.596 4.466 494 HE3 LYS 66 2HE LYS 66 -14.253 -13.943 3.885 495 HZ1 LYS 66 1HZ LYS 66 -14.739 -16.083 5.727 496 HZ2 LYS 66 2HZ LYS 66 -13.639 -14.951 6.334 497 HZ3 LYS 66 3HZ LYS 66 -13.339 -15.710 4.853 498 H LYS 67 H LYS 67 -18.891 -10.804 2.711 499 HA LYS 67 HA LYS 67 -21.016 -11.919 3.923 500 HB2 LYS 67 1HB LYS 67 -21.225 -9.863 2.671 501 HB3 LYS 67 2HB LYS 67 -20.960 -10.712 1.154 502 HG2 LYS 67 1HG LYS 67 -23.076 -12.045 1.800 503 HG3 LYS 67 2HG LYS 67 -23.371 -10.713 2.920 504 HD2 LYS 67 1HD LYS 67 -23.210 -9.134 1.022 505 HD3 LYS 67 2HD LYS 67 -23.022 -10.507 -0.071 506 HE2 LYS 67 1HE LYS 67 -25.211 -11.322 0.489 507 HE3 LYS 67 2HE LYS 67 -25.391 -10.101 1.748 508 HZ1 LYS 67 1HZ LYS 67 -26.135 -9.896 -0.908 509 HZ2 LYS 67 2HZ LYS 67 -24.801 -8.872 -0.730 510 HZ3 LYS 67 3HZ LYS 67 -26.158 -8.672 0.259 511 H SER 68 H SER 68 -21.266 -14.085 4.073 512 HA SER 68 HA SER 68 -21.962 -15.503 1.604 513 HB2 SER 68 1HB SER 68 -20.009 -16.473 3.699 514 HB3 SER 68 2HB SER 68 -20.731 -17.523 2.480 515 HG SER 68 HG SER 68 -19.274 -15.172 1.860 516 H GLY 69 H GLY 69 -23.879 -16.449 1.792 517 HA2 GLY 69 1HA GLY 69 -24.728 -18.079 3.876 518 HA3 GLY 69 2HA GLY 69 -25.321 -16.464 4.235 519 HA PRO 70 HA PRO 70 -28.526 -18.549 1.654 520 HB2 PRO 70 1HB PRO 70 -30.621 -17.598 3.095 521 HB3 PRO 70 2HB PRO 70 -29.748 -19.072 3.528 522 HG2 PRO 70 1HG PRO 70 -29.467 -16.308 4.643 523 HG3 PRO 70 2HG PRO 70 -29.500 -17.862 5.498 524 HD2 PRO 70 1HD PRO 70 -27.198 -16.539 4.970 525 HD3 PRO 70 2HD PRO 70 -27.289 -18.311 5.028 526 H SER 71 H SER 71 -29.644 -17.627 0.001 527 HA SER 71 HA SER 71 -29.499 -14.706 -0.214 528 HB2 SER 71 1HB SER 71 -29.819 -16.886 -2.280 529 HB3 SER 71 2HB SER 71 -30.020 -15.176 -2.660 530 HG SER 71 HG SER 71 -27.802 -15.128 -1.489 531 H SER 72 H SER 72 -31.763 -17.371 -0.895 532 HA SER 72 HA SER 72 -34.037 -17.391 -1.148 533 HB2 SER 72 1HB SER 72 -35.257 -16.460 0.755 534 HB3 SER 72 2HB SER 72 -33.782 -17.252 1.309 535 HG SER 72 HG SER 72 -34.393 -14.985 2.073 536 H GLY 73 H GLY 73 -32.827 -15.591 -2.908 537 HA2 GLY 73 1HA GLY 73 -34.710 -14.267 -4.184 538 HA3 GLY 73 2HA GLY 73 -34.467 -13.168 -2.834 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.334 -1.523 -19.008 2 HA2 GLY 1 1HA GLY 1 12.494 -2.281 -21.512 3 HA3 GLY 1 2HA GLY 1 12.208 -3.853 -20.781 4 H SER 2 H SER 2 10.177 -4.467 -21.047 5 HA SER 2 HA SER 2 8.056 -2.446 -20.729 6 HB2 SER 2 1HB SER 2 8.467 -3.364 -23.103 7 HB3 SER 2 2HB SER 2 7.772 -4.868 -22.499 8 HG SER 2 HG SER 2 6.552 -2.326 -22.715 9 H SER 3 H SER 3 6.685 -2.845 -19.130 10 HA SER 3 HA SER 3 6.864 -5.239 -17.586 11 HB2 SER 3 1HB SER 3 4.957 -2.894 -17.462 12 HB3 SER 3 2HB SER 3 4.957 -4.220 -16.298 13 HG SER 3 HG SER 3 7.164 -3.669 -15.853 14 H GLY 4 H GLY 4 5.646 -7.035 -17.636 15 HA2 GLY 4 1HA GLY 4 2.995 -7.250 -18.461 16 HA3 GLY 4 2HA GLY 4 3.993 -7.571 -19.871 17 H SER 5 H SER 5 3.001 -8.706 -16.732 18 HA SER 5 HA SER 5 3.514 -11.420 -17.461 19 HB2 SER 5 1HB SER 5 5.153 -11.958 -15.745 20 HB3 SER 5 2HB SER 5 5.797 -10.694 -16.793 21 HG SER 5 HG SER 5 4.745 -9.283 -15.031 22 H SER 6 H SER 6 3.189 -12.858 -15.386 23 HA SER 6 HA SER 6 1.057 -11.652 -13.750 24 HB2 SER 6 1HB SER 6 -0.101 -13.875 -13.835 25 HB3 SER 6 2HB SER 6 -0.030 -13.048 -15.391 26 HG SER 6 HG SER 6 1.938 -14.924 -14.640 27 H GLY 7 H GLY 7 2.363 -11.365 -11.957 28 HA2 GLY 7 1HA GLY 7 3.177 -13.866 -10.625 29 HA3 GLY 7 2HA GLY 7 4.275 -12.495 -10.688 30 H LYS 8 H LYS 8 2.937 -10.357 -10.022 31 HA LYS 8 HA LYS 8 2.714 -10.293 -7.327 32 HB2 LYS 8 1HB LYS 8 1.367 -8.281 -7.543 33 HB3 LYS 8 2HB LYS 8 2.621 -8.300 -8.777 34 HG2 LYS 8 1HG LYS 8 0.971 -9.076 -10.421 35 HG3 LYS 8 2HG LYS 8 -0.281 -9.000 -9.179 36 HD2 LYS 8 1HD LYS 8 0.031 -6.614 -8.953 37 HD3 LYS 8 2HD LYS 8 1.388 -6.653 -10.082 38 HE2 LYS 8 1HE LYS 8 -0.286 -7.623 -11.761 39 HE3 LYS 8 2HE LYS 8 -1.533 -7.084 -10.637 40 HZ1 LYS 8 1HZ LYS 8 0.551 -5.266 -11.699 41 HZ2 LYS 8 2HZ LYS 8 -0.886 -4.853 -10.907 42 HZ3 LYS 8 3HZ LYS 8 -0.937 -5.495 -12.471 43 H ALA 9 H ALA 9 1.388 -11.058 -5.810 44 HA ALA 9 HA ALA 9 -0.524 -12.962 -6.185 45 HB1 ALA 9 1HB ALA 9 -1.118 -12.715 -3.947 46 HB2 ALA 9 2HB ALA 9 0.533 -12.094 -4.007 47 HB3 ALA 9 3HB ALA 9 -0.830 -10.975 -3.963 48 H LYS 10 H LYS 10 -2.543 -13.043 -6.929 49 HA LYS 10 HA LYS 10 -3.816 -10.634 -7.867 50 HB2 LYS 10 1HB LYS 10 -4.541 -13.556 -7.990 51 HB3 LYS 10 2HB LYS 10 -5.635 -12.302 -8.558 52 HG2 LYS 10 1HG LYS 10 -2.825 -12.434 -9.572 53 HG3 LYS 10 2HG LYS 10 -4.079 -13.479 -10.245 54 HD2 LYS 10 1HD LYS 10 -5.425 -11.519 -10.799 55 HD3 LYS 10 2HD LYS 10 -4.196 -10.465 -10.095 56 HE2 LYS 10 1HE LYS 10 -3.855 -10.437 -12.441 57 HE3 LYS 10 2HE LYS 10 -2.573 -11.435 -11.757 58 HZ1 LYS 10 1HZ LYS 10 -3.926 -12.228 -13.826 59 HZ2 LYS 10 2HZ LYS 10 -5.038 -12.740 -12.659 60 HZ3 LYS 10 3HZ LYS 10 -3.454 -13.333 -12.634 61 HA PRO 11 HA PRO 11 -6.355 -9.865 -4.353 62 HB2 PRO 11 1HB PRO 11 -8.336 -8.454 -5.560 63 HB3 PRO 11 2HB PRO 11 -6.725 -7.788 -5.264 64 HG2 PRO 11 1HG PRO 11 -7.862 -8.949 -7.778 65 HG3 PRO 11 2HG PRO 11 -6.867 -7.497 -7.567 66 HD2 PRO 11 1HD PRO 11 -5.842 -9.853 -8.419 67 HD3 PRO 11 2HD PRO 11 -4.908 -8.704 -7.440 68 H VAL 12 H VAL 12 -8.526 -10.244 -3.514 69 HA VAL 12 HA VAL 12 -9.745 -12.605 -4.758 70 HB VAL 12 HB VAL 12 -10.814 -12.995 -2.581 71 HG11 VAL 12 1HG1 VAL 12 -7.840 -12.684 -2.725 72 HG12 VAL 12 2HG1 VAL 12 -8.614 -13.284 -1.257 73 HG13 VAL 12 3HG1 VAL 12 -8.812 -14.155 -2.778 74 HG21 VAL 12 1HG2 VAL 12 -9.595 -11.478 -0.722 75 HG22 VAL 12 2HG2 VAL 12 -9.719 -10.310 -2.038 76 HG23 VAL 12 3HG2 VAL 12 -11.171 -11.092 -1.414 77 H ALA 13 H ALA 13 -10.463 -9.359 -3.630 78 HA ALA 13 HA ALA 13 -12.906 -9.366 -5.203 79 HB1 ALA 13 1HB ALA 13 -14.178 -8.351 -3.257 80 HB2 ALA 13 2HB ALA 13 -13.857 -10.084 -3.171 81 HB3 ALA 13 3HB ALA 13 -12.883 -8.958 -2.226 82 H THR 14 H THR 14 -13.798 -7.207 -5.499 83 HA THR 14 HA THR 14 -12.059 -4.986 -4.748 84 HB THR 14 HB THR 14 -12.858 -5.324 -7.634 85 HG1 THR 14 1HG THR 14 -10.247 -5.830 -6.669 86 HG21 THR 14 1HG2 THR 14 -10.826 -3.590 -6.225 87 HG22 THR 14 2HG2 THR 14 -12.333 -3.057 -6.971 88 HG23 THR 14 3HG2 THR 14 -11.026 -3.688 -7.974 89 H ALA 15 H ALA 15 -13.150 -3.132 -4.390 90 HA ALA 15 HA ALA 15 -15.811 -2.759 -5.515 91 HB1 ALA 15 1HB ALA 15 -15.270 -2.989 -2.567 92 HB2 ALA 15 2HB ALA 15 -16.693 -2.170 -3.213 93 HB3 ALA 15 3HB ALA 15 -16.437 -3.884 -3.541 94 HA PRO 16 HA PRO 16 -14.064 1.320 -5.769 95 HB2 PRO 16 1HB PRO 16 -16.248 2.514 -6.852 96 HB3 PRO 16 2HB PRO 16 -15.153 1.486 -7.785 97 HG2 PRO 16 1HG PRO 16 -17.800 0.812 -6.559 98 HG3 PRO 16 2HG PRO 16 -17.164 0.379 -8.157 99 HD2 PRO 16 1HD PRO 16 -17.161 -1.347 -6.071 100 HD3 PRO 16 2HD PRO 16 -15.902 -1.360 -7.322 101 H ILE 17 H ILE 17 -13.885 2.740 -4.162 102 HA ILE 17 HA ILE 17 -15.811 2.876 -2.052 103 HB ILE 17 HB ILE 17 -13.376 4.584 -2.578 104 HG12 ILE 17 1HG1 ILE 17 -13.859 2.072 -0.997 105 HG13 ILE 17 2HG1 ILE 17 -12.602 2.400 -2.184 106 HG21 ILE 17 1HG2 ILE 17 -14.783 4.301 0.055 107 HG22 ILE 17 2HG2 ILE 17 -13.607 5.514 -0.448 108 HG23 ILE 17 3HG2 ILE 17 -15.242 5.545 -1.108 109 HD11 ILE 17 1HD1 ILE 17 -11.537 3.943 -0.619 110 HD12 ILE 17 2HD1 ILE 17 -12.790 3.592 0.571 111 HD13 ILE 17 3HD1 ILE 17 -11.685 2.320 0.053 112 HA PRO 18 HA PRO 18 -18.394 6.063 -3.676 113 HB2 PRO 18 1HB PRO 18 -19.552 6.844 -1.348 114 HB3 PRO 18 2HB PRO 18 -19.967 5.335 -2.169 115 HG2 PRO 18 1HG PRO 18 -18.138 5.784 0.158 116 HG3 PRO 18 2HG PRO 18 -19.342 4.506 -0.088 117 HD2 PRO 18 1HD PRO 18 -16.695 4.112 -0.497 118 HD3 PRO 18 2HD PRO 18 -17.942 3.274 -1.442 119 H GLY 19 H GLY 19 -18.127 8.175 -4.122 120 HA2 GLY 19 1HA GLY 19 -17.591 10.414 -3.765 121 HA3 GLY 19 2HA GLY 19 -16.999 9.991 -2.165 122 H THR 20 H THR 20 -15.032 8.267 -2.513 123 HA THR 20 HA THR 20 -13.036 9.842 -3.942 124 HB THR 20 HB THR 20 -11.414 8.900 -2.595 125 HG1 THR 20 1HG THR 20 -13.075 6.654 -2.676 126 HG21 THR 20 1HG2 THR 20 -14.001 8.919 -1.067 127 HG22 THR 20 2HG2 THR 20 -12.709 10.120 -1.067 128 HG23 THR 20 3HG2 THR 20 -12.466 8.562 -0.277 129 HA PRO 21 HA PRO 21 -12.725 7.069 -7.345 130 HB2 PRO 21 1HB PRO 21 -10.171 7.588 -8.106 131 HB3 PRO 21 2HB PRO 21 -11.504 8.714 -8.385 132 HG2 PRO 21 1HG PRO 21 -9.434 8.727 -6.222 133 HG3 PRO 21 2HG PRO 21 -10.062 10.082 -7.177 134 HD2 PRO 21 1HD PRO 21 -10.900 9.565 -4.655 135 HD3 PRO 21 2HD PRO 21 -11.964 10.273 -5.888 136 H TRP 22 H TRP 22 -11.144 6.628 -4.446 137 HA TRP 22 HA TRP 22 -9.321 4.554 -5.156 138 HB2 TRP 22 1HB TRP 22 -10.520 5.444 -2.537 139 HB3 TRP 22 2HB TRP 22 -9.427 4.067 -2.647 140 HD1 TRP 22 HD TRP 22 -9.479 7.871 -2.805 141 HE1 TRP 22 1HE TRP 22 -7.057 8.741 -2.753 142 HE3 TRP 22 3HE TRP 22 -7.007 3.424 -3.311 143 HZ2 TRP 22 2HZ TRP 22 -4.445 7.683 -2.907 144 HZ3 TRP 22 3HZ TRP 22 -4.547 3.440 -3.350 145 HH2 TRP 22 HH TRP 22 -3.294 5.526 -3.152 146 H CYS 23 H CYS 23 -9.514 2.309 -4.741 147 HA CYS 23 HA CYS 23 -12.255 1.312 -4.394 148 HB2 CYS 23 1HB CYS 23 -10.298 0.341 -6.488 149 HB3 CYS 23 2HB CYS 23 -11.884 -0.351 -6.169 150 HG CYS 23 HG CYS 23 -12.628 0.983 -8.293 151 H VAL 24 H VAL 24 -12.312 -0.002 -2.708 152 HA VAL 24 HA VAL 24 -9.990 -1.030 -1.453 153 HB VAL 24 HB VAL 24 -12.871 -1.852 -1.055 154 HG11 VAL 24 1HG1 VAL 24 -11.534 -2.176 1.330 155 HG12 VAL 24 2HG1 VAL 24 -11.980 -3.464 0.209 156 HG13 VAL 24 3HG1 VAL 24 -10.370 -2.747 0.135 157 HG21 VAL 24 1HG2 VAL 24 -12.489 -0.336 1.028 158 HG22 VAL 24 2HG2 VAL 24 -11.207 0.374 0.048 159 HG23 VAL 24 3HG2 VAL 24 -12.873 0.399 -0.528 160 H VAL 25 H VAL 25 -8.819 -2.735 -2.003 161 HA VAL 25 HA VAL 25 -10.123 -4.923 -3.489 162 HB VAL 25 HB VAL 25 -7.242 -4.046 -3.724 163 HG11 VAL 25 1HG1 VAL 25 -7.100 -5.642 -5.541 164 HG12 VAL 25 2HG1 VAL 25 -7.613 -6.458 -4.063 165 HG13 VAL 25 3HG1 VAL 25 -8.793 -6.082 -5.319 166 HG21 VAL 25 1HG2 VAL 25 -8.781 -3.866 -6.146 167 HG22 VAL 25 2HG2 VAL 25 -9.526 -2.901 -4.871 168 HG23 VAL 25 3HG2 VAL 25 -7.844 -2.620 -5.321 169 H TRP 26 H TRP 26 -10.121 -6.830 -2.507 170 HA TRP 26 HA TRP 26 -8.471 -7.196 -0.128 171 HB2 TRP 26 1HB TRP 26 -10.838 -8.695 -1.245 172 HB3 TRP 26 2HB TRP 26 -9.897 -9.297 0.117 173 HD1 TRP 26 HD TRP 26 -10.322 -8.209 2.465 174 HE1 TRP 26 1HE TRP 26 -12.032 -6.498 3.344 175 HE3 TRP 26 3HE TRP 26 -12.165 -6.535 -2.000 176 HZ2 TRP 26 2HZ TRP 26 -13.913 -4.679 2.286 177 HZ3 TRP 26 3HZ TRP 26 -13.918 -4.808 -1.979 178 HH2 TRP 26 HH TRP 26 -14.773 -3.902 0.120 179 H THR 27 H THR 27 -7.540 -9.418 0.222 180 HA THR 27 HA THR 27 -6.570 -10.616 -2.280 181 HB THR 27 HB THR 27 -4.320 -10.895 -1.210 182 HG1 THR 27 1HG THR 27 -3.866 -9.807 0.648 183 HG21 THR 27 1HG2 THR 27 -5.036 -7.981 -1.416 184 HG22 THR 27 2HG2 THR 27 -4.986 -9.031 -2.832 185 HG23 THR 27 3HG2 THR 27 -3.531 -8.779 -1.869 186 H GLY 28 H GLY 28 -5.175 -12.678 -1.579 187 HA2 GLY 28 1HA GLY 28 -7.063 -14.407 -0.263 188 HA3 GLY 28 2HA GLY 28 -5.528 -14.884 -0.973 189 H ASP 29 H ASP 29 -4.225 -12.689 0.683 190 HA ASP 29 HA ASP 29 -3.762 -14.364 3.012 191 HB2 ASP 29 1HB ASP 29 -2.009 -13.040 1.526 192 HB3 ASP 29 2HB ASP 29 -2.396 -11.735 2.644 193 H GLU 30 H GLU 30 -6.288 -13.432 3.153 194 HA GLU 30 HA GLU 30 -7.754 -12.009 4.238 195 HB2 GLU 30 1HB GLU 30 -6.894 -11.919 6.777 196 HB3 GLU 30 2HB GLU 30 -7.612 -13.356 6.061 197 HG2 GLU 30 1HG GLU 30 -5.505 -14.364 5.729 198 HG3 GLU 30 2HG GLU 30 -4.652 -12.859 6.070 199 H ARG 31 H ARG 31 -6.073 -10.407 2.800 200 HA ARG 31 HA ARG 31 -5.645 -8.151 4.641 201 HB2 ARG 31 1HB ARG 31 -3.825 -9.289 2.578 202 HB3 ARG 31 2HB ARG 31 -3.855 -7.541 2.764 203 HG2 ARG 31 1HG ARG 31 -3.425 -7.906 5.217 204 HG3 ARG 31 2HG ARG 31 -3.132 -9.602 4.826 205 HD2 ARG 31 1HD ARG 31 -1.494 -8.602 3.050 206 HD3 ARG 31 2HD ARG 31 -1.549 -7.179 4.089 207 HE ARG 31 HE ARG 31 -0.167 -9.614 4.601 208 HH11 ARG 31 2HH1 ARG 31 -1.886 -7.007 6.142 209 HH12 ARG 31 1HH1 ARG 31 -1.051 -7.176 7.651 210 HH21 ARG 31 2HH2 ARG 31 0.938 -9.845 6.583 211 HH22 ARG 31 1HH2 ARG 31 0.555 -8.790 7.901 212 H VAL 32 H VAL 32 -5.434 -6.038 3.300 213 HA VAL 32 HA VAL 32 -6.991 -5.977 0.867 214 HB VAL 32 HB VAL 32 -8.795 -6.007 2.486 215 HG11 VAL 32 1HG1 VAL 32 -8.769 -3.710 3.918 216 HG12 VAL 32 2HG1 VAL 32 -8.213 -5.268 4.532 217 HG13 VAL 32 3HG1 VAL 32 -7.051 -4.104 3.895 218 HG21 VAL 32 1HG2 VAL 32 -8.898 -3.149 1.884 219 HG22 VAL 32 2HG2 VAL 32 -8.465 -4.153 0.501 220 HG23 VAL 32 3HG2 VAL 32 -9.967 -4.455 1.374 221 H PHE 33 H PHE 33 -6.601 -4.174 -0.345 222 HA PHE 33 HA PHE 33 -5.056 -2.002 0.890 223 HB2 PHE 33 1HB PHE 33 -3.541 -1.939 -1.026 224 HB3 PHE 33 2HB PHE 33 -3.481 -3.517 -0.248 225 HD1 PHE 33 1HD PHE 33 -4.546 -5.465 -1.316 226 HD2 PHE 33 2HD PHE 33 -4.300 -1.687 -3.262 227 HE1 PHE 33 1HE PHE 33 -5.029 -6.548 -3.472 228 HE2 PHE 33 2HE PHE 33 -4.784 -2.764 -5.421 229 HZ PHE 33 HZ PHE 33 -5.150 -5.197 -5.528 230 H PHE 34 H PHE 34 -4.878 -0.096 -0.678 231 HA PHE 34 HA PHE 34 -7.520 0.304 -1.903 232 HB2 PHE 34 1HB PHE 34 -5.567 2.467 -1.121 233 HB3 PHE 34 2HB PHE 34 -7.283 2.636 -1.476 234 HD1 PHE 34 2HD PHE 34 -4.977 0.944 0.908 235 HD2 PHE 34 1HD PHE 34 -8.792 2.718 0.263 236 HE1 PHE 34 2HE PHE 34 -5.492 0.701 3.302 237 HE2 PHE 34 1HE PHE 34 -9.312 2.479 2.656 238 HZ PHE 34 HZ PHE 34 -7.661 1.469 4.179 239 H TYR 35 H TYR 35 -7.708 0.683 -4.023 240 HA TYR 35 HA TYR 35 -5.248 1.225 -5.554 241 HB2 TYR 35 1HB TYR 35 -5.754 -0.983 -6.138 242 HB3 TYR 35 2HB TYR 35 -7.490 -0.696 -6.105 243 HD1 TYR 35 1HD TYR 35 -4.450 0.430 -7.968 244 HD2 TYR 35 2HD TYR 35 -8.597 -0.509 -8.123 245 HE1 TYR 35 1HE TYR 35 -4.431 0.775 -10.403 246 HE2 TYR 35 2HE TYR 35 -8.590 -0.167 -10.559 247 HH TYR 35 HH TYR 35 -7.394 0.417 -12.332 248 H ASN 36 H ASN 36 -5.334 2.780 -7.101 249 HA ASN 36 HA ASN 36 -7.901 4.193 -7.407 250 HB2 ASN 36 1HB ASN 36 -6.084 5.449 -6.211 251 HB3 ASN 36 2HB ASN 36 -5.136 5.383 -7.694 252 HD21 ASN 36 1HD2 ASN 36 -6.862 7.404 -5.953 253 HD22 ASN 36 2HD2 ASN 36 -7.574 8.389 -7.181 254 HA PRO 37 HA PRO 37 -7.206 2.624 -11.604 255 HB2 PRO 37 1HB PRO 37 -9.797 2.910 -12.362 256 HB3 PRO 37 2HB PRO 37 -9.215 1.522 -11.434 257 HG2 PRO 37 1HG PRO 37 -10.631 3.980 -10.478 258 HG3 PRO 37 2HG PRO 37 -10.887 2.289 -10.011 259 HD2 PRO 37 1HD PRO 37 -9.471 4.023 -8.488 260 HD3 PRO 37 2HD PRO 37 -9.098 2.289 -8.558 261 H THR 38 H THR 38 -7.972 5.647 -10.356 262 HA THR 38 HA THR 38 -8.315 6.916 -12.965 263 HB THR 38 HB THR 38 -8.284 8.240 -10.249 264 HG1 THR 38 1HG THR 38 -10.526 8.056 -10.319 265 HG21 THR 38 1HG2 THR 38 -8.396 10.136 -11.411 266 HG22 THR 38 2HG2 THR 38 -9.913 9.586 -12.123 267 HG23 THR 38 3HG2 THR 38 -8.383 9.238 -12.928 268 H THR 39 H THR 39 -5.989 6.610 -10.367 269 HA THR 39 HA THR 39 -4.079 8.196 -11.959 270 HB THR 39 HB THR 39 -2.921 8.775 -9.866 271 HG1 THR 39 1HG THR 39 -3.957 8.278 -7.880 272 HG21 THR 39 1HG2 THR 39 -5.629 9.640 -9.155 273 HG22 THR 39 2HG2 THR 39 -5.213 9.900 -10.849 274 HG23 THR 39 3HG2 THR 39 -4.209 10.595 -9.578 275 H ARG 40 H ARG 40 -4.793 5.202 -11.653 276 HA ARG 40 HA ARG 40 -3.724 3.186 -11.473 277 HB2 ARG 40 1HB ARG 40 -1.440 4.782 -12.646 278 HB3 ARG 40 2HB ARG 40 -1.673 3.043 -12.764 279 HG2 ARG 40 1HG ARG 40 -3.862 3.590 -13.954 280 HG3 ARG 40 2HG ARG 40 -3.230 5.231 -14.093 281 HD2 ARG 40 1HD ARG 40 -1.591 4.623 -15.566 282 HD3 ARG 40 2HD ARG 40 -1.474 2.985 -14.925 283 HE ARG 40 HE ARG 40 -3.959 3.503 -16.258 284 HH11 ARG 40 2HH1 ARG 40 -0.634 2.568 -16.694 285 HH12 ARG 40 1HH1 ARG 40 -0.929 1.728 -18.180 286 HH21 ARG 40 2HH2 ARG 40 -4.360 2.399 -18.214 287 HH22 ARG 40 1HH2 ARG 40 -3.049 1.633 -19.044 288 H LEU 41 H LEU 41 -3.594 4.739 -9.084 289 HA LEU 41 HA LEU 41 -0.900 4.221 -8.057 290 HB2 LEU 41 1HB LEU 41 -2.318 6.409 -7.739 291 HB3 LEU 41 2HB LEU 41 -3.057 5.486 -6.432 292 HG LEU 41 HG LEU 41 -1.195 7.038 -5.762 293 HD11 LEU 41 1HD1 LEU 41 0.033 4.863 -4.647 294 HD12 LEU 41 2HD1 LEU 41 -1.559 4.228 -5.063 295 HD13 LEU 41 3HD1 LEU 41 -1.420 5.649 -4.028 296 HD21 LEU 41 1HD2 LEU 41 0.937 6.783 -6.473 297 HD22 LEU 41 2HD2 LEU 41 0.137 6.103 -7.890 298 HD23 LEU 41 3HD2 LEU 41 0.789 5.034 -6.647 299 H SER 42 H SER 42 -0.467 2.606 -6.688 300 HA SER 42 HA SER 42 -2.706 1.234 -5.368 301 HB2 SER 42 1HB SER 42 -1.757 -0.942 -5.909 302 HB3 SER 42 2HB SER 42 -2.042 -0.039 -7.397 303 HG SER 42 HG SER 42 -0.024 -0.654 -7.709 304 H MET 43 H MET 43 -2.351 1.632 -3.278 305 HA MET 43 HA MET 43 0.397 1.413 -2.250 306 HB2 MET 43 1HB MET 43 -1.928 2.658 -0.795 307 HB3 MET 43 2HB MET 43 -0.211 2.857 -0.472 308 HG2 MET 43 1HG MET 43 -0.226 3.840 -2.920 309 HG3 MET 43 2HG MET 43 -1.919 4.134 -2.533 310 HE1 MET 43 1HE MET 43 -1.248 6.027 0.977 311 HE2 MET 43 2HE MET 43 -2.187 4.716 0.262 312 HE3 MET 43 3HE MET 43 -0.582 4.395 0.923 313 H TRP 44 H TRP 44 0.419 0.692 0.142 314 HA TRP 44 HA TRP 44 -1.173 -1.772 0.311 315 HB2 TRP 44 1HB TRP 44 1.568 -1.016 1.185 316 HB3 TRP 44 2HB TRP 44 0.689 -2.163 2.192 317 HD1 TRP 44 HD TRP 44 2.923 -2.075 -0.704 318 HE1 TRP 44 1HE TRP 44 2.892 -4.318 -1.967 319 HE3 TRP 44 3HE TRP 44 -1.237 -4.147 1.425 320 HZ2 TRP 44 2HZ TRP 44 1.313 -6.656 -2.049 321 HZ3 TRP 44 3HZ TRP 44 -1.941 -6.390 0.698 322 HH2 TRP 44 HH TRP 44 -0.691 -7.617 -1.003 323 H ASP 45 H ASP 45 -0.903 1.311 1.633 324 HA ASP 45 HA ASP 45 -2.450 0.477 3.998 325 HB2 ASP 45 1HB ASP 45 -0.218 2.469 3.764 326 HB3 ASP 45 2HB ASP 45 -1.454 2.671 5.004 327 H ARG 46 H ARG 46 -3.539 2.599 4.954 328 HA ARG 46 HA ARG 46 -5.272 3.551 2.840 329 HB2 ARG 46 1HB ARG 46 -6.066 2.791 5.128 330 HB3 ARG 46 2HB ARG 46 -5.387 4.283 5.764 331 HG2 ARG 46 1HG ARG 46 -7.264 4.495 3.480 332 HG3 ARG 46 2HG ARG 46 -7.928 4.070 5.059 333 HD2 ARG 46 1HD ARG 46 -6.043 6.375 4.797 334 HD3 ARG 46 2HD ARG 46 -7.739 6.571 4.357 335 HE ARG 46 HE ARG 46 -6.653 6.236 7.016 336 HH11 ARG 46 2HH1 ARG 46 -9.480 6.115 4.989 337 HH12 ARG 46 1HH1 ARG 46 -10.591 6.320 6.303 338 HH21 ARG 46 2HH2 ARG 46 -8.105 6.506 8.754 339 HH22 ARG 46 1HH2 ARG 46 -9.807 6.543 8.444 340 HA PRO 47 HA PRO 47 -2.703 7.203 2.393 341 HB2 PRO 47 1HB PRO 47 -4.043 8.169 0.239 342 HB3 PRO 47 2HB PRO 47 -2.852 6.868 0.125 343 HG2 PRO 47 1HG PRO 47 -5.840 6.699 0.214 344 HG3 PRO 47 2HG PRO 47 -4.699 5.811 -0.813 345 HD2 PRO 47 1HD PRO 47 -5.814 4.726 1.403 346 HD3 PRO 47 2HD PRO 47 -4.181 4.303 0.851 347 H ASP 48 H ASP 48 -3.079 9.512 2.461 348 HA ASP 48 HA ASP 48 -4.990 10.280 4.366 349 HB2 ASP 48 1HB ASP 48 -2.748 11.419 3.530 350 HB3 ASP 48 2HB ASP 48 -3.858 12.312 2.494 351 H ASP 49 H ASP 49 -4.976 10.503 0.845 352 HA ASP 49 HA ASP 49 -7.083 12.141 0.317 353 HB2 ASP 49 1HB ASP 49 -6.165 9.606 -1.002 354 HB3 ASP 49 2HB ASP 49 -7.593 10.446 -1.599 355 H LEU 50 H LEU 50 -7.189 9.109 1.934 356 HA LEU 50 HA LEU 50 -10.121 9.034 1.733 357 HB2 LEU 50 1HB LEU 50 -8.080 6.942 2.424 358 HB3 LEU 50 2HB LEU 50 -9.795 6.723 2.764 359 HG LEU 50 HG LEU 50 -8.533 7.063 0.045 360 HD11 LEU 50 1HD1 LEU 50 -8.464 4.837 1.480 361 HD12 LEU 50 2HD1 LEU 50 -8.742 4.820 -0.261 362 HD13 LEU 50 3HD1 LEU 50 -10.104 4.680 0.850 363 HD21 LEU 50 1HD2 LEU 50 -10.524 7.729 -0.671 364 HD22 LEU 50 2HD2 LEU 50 -11.211 7.555 0.944 365 HD23 LEU 50 3HD2 LEU 50 -11.188 6.178 -0.159 366 H ILE 51 H ILE 51 -7.430 9.104 3.998 367 HA ILE 51 HA ILE 51 -8.577 8.668 6.414 368 HB ILE 51 HB ILE 51 -6.641 10.881 5.729 369 HG12 ILE 51 1HG1 ILE 51 -6.242 8.077 6.794 370 HG13 ILE 51 2HG1 ILE 51 -5.807 8.656 5.190 371 HG21 ILE 51 1HG2 ILE 51 -6.630 11.543 7.851 372 HG22 ILE 51 2HG2 ILE 51 -8.069 10.555 8.097 373 HG23 ILE 51 3HG2 ILE 51 -6.472 9.885 8.430 374 HD11 ILE 51 1HD1 ILE 51 -4.606 9.585 7.787 375 HD12 ILE 51 2HD1 ILE 51 -3.860 8.488 6.624 376 HD13 ILE 51 3HD1 ILE 51 -4.169 10.167 6.181 377 H GLY 52 H GLY 52 -10.308 9.423 7.431 378 HA2 GLY 52 1HA GLY 52 -11.330 11.431 8.436 379 HA3 GLY 52 2HA GLY 52 -11.157 12.197 6.864 380 H ARG 53 H ARG 53 -11.981 9.763 5.430 381 HA ARG 53 HA ARG 53 -14.839 10.201 5.631 382 HB2 ARG 53 1HB ARG 53 -13.229 8.491 3.726 383 HB3 ARG 53 2HB ARG 53 -14.957 8.796 3.602 384 HG2 ARG 53 1HG ARG 53 -14.347 11.264 3.477 385 HG3 ARG 53 2HG ARG 53 -12.690 10.719 3.212 386 HD2 ARG 53 1HD ARG 53 -13.184 9.783 1.163 387 HD3 ARG 53 2HD ARG 53 -14.891 9.579 1.552 388 HE ARG 53 HE ARG 53 -13.647 11.886 0.387 389 HH11 ARG 53 2HH1 ARG 53 -16.332 10.754 2.292 390 HH12 ARG 53 1HH1 ARG 53 -17.360 12.083 1.870 391 HH21 ARG 53 2HH2 ARG 53 -14.991 13.640 -0.176 392 HH22 ARG 53 1HH2 ARG 53 -16.597 13.723 0.465 393 H ALA 54 H ALA 54 -16.360 8.714 6.230 394 HA ALA 54 HA ALA 54 -15.416 6.501 7.847 395 HB1 ALA 54 1HB ALA 54 -17.407 8.203 8.273 396 HB2 ALA 54 2HB ALA 54 -18.316 6.955 7.419 397 HB3 ALA 54 3HB ALA 54 -17.435 6.552 8.893 398 H ASP 55 H ASP 55 -17.113 7.020 4.820 399 HA ASP 55 HA ASP 55 -18.169 4.525 4.322 400 HB2 ASP 55 1HB ASP 55 -16.762 6.094 2.172 401 HB3 ASP 55 2HB ASP 55 -18.212 5.103 2.037 402 H VAL 56 H VAL 56 -14.910 5.651 3.410 403 HA VAL 56 HA VAL 56 -13.901 3.386 2.261 404 HB VAL 56 HB VAL 56 -12.565 5.369 2.320 405 HG11 VAL 56 1HG1 VAL 56 -13.438 5.858 4.756 406 HG12 VAL 56 2HG1 VAL 56 -11.917 5.089 5.211 407 HG13 VAL 56 3HG1 VAL 56 -11.909 6.523 4.184 408 HG21 VAL 56 1HG2 VAL 56 -11.249 3.406 2.090 409 HG22 VAL 56 2HG2 VAL 56 -10.396 4.456 3.220 410 HG23 VAL 56 3HG2 VAL 56 -11.316 3.077 3.821 411 H ASP 57 H ASP 57 -14.351 4.032 5.687 412 HA ASP 57 HA ASP 57 -12.930 1.730 6.596 413 HB2 ASP 57 1HB ASP 57 -13.468 3.851 7.926 414 HB3 ASP 57 2HB ASP 57 -15.083 3.178 8.132 415 H LYS 58 H LYS 58 -16.420 2.477 6.703 416 HA LYS 58 HA LYS 58 -17.509 0.166 7.489 417 HB2 LYS 58 1HB LYS 58 -18.835 2.099 6.768 418 HB3 LYS 58 2HB LYS 58 -18.443 1.752 5.089 419 HG2 LYS 58 1HG LYS 58 -19.583 -0.456 5.366 420 HG3 LYS 58 2HG LYS 58 -20.117 0.092 6.957 421 HD2 LYS 58 1HD LYS 58 -20.952 2.177 5.554 422 HD3 LYS 58 2HD LYS 58 -20.961 0.988 4.249 423 HE2 LYS 58 1HE LYS 58 -22.314 0.560 6.906 424 HE3 LYS 58 2HE LYS 58 -23.129 1.239 5.498 425 HZ1 LYS 58 1HZ LYS 58 -23.629 -0.979 5.320 426 HZ2 LYS 58 2HZ LYS 58 -22.137 -1.495 5.927 427 HZ3 LYS 58 3HZ LYS 58 -22.245 -0.892 4.350 428 H ILE 59 H ILE 59 -16.492 0.765 4.129 429 HA ILE 59 HA ILE 59 -17.159 -1.688 3.035 430 HB ILE 59 HB ILE 59 -14.794 0.066 2.362 431 HG12 ILE 59 1HG1 ILE 59 -17.415 -0.159 0.889 432 HG13 ILE 59 2HG1 ILE 59 -17.181 0.991 2.201 433 HG21 ILE 59 1HG2 ILE 59 -15.039 -1.105 0.104 434 HG22 ILE 59 2HG2 ILE 59 -14.283 -2.012 1.412 435 HG23 ILE 59 3HG2 ILE 59 -15.963 -2.327 0.978 436 HD11 ILE 59 1HD1 ILE 59 -15.372 0.902 -0.188 437 HD12 ILE 59 2HD1 ILE 59 -16.860 1.850 -0.155 438 HD13 ILE 59 3HD1 ILE 59 -15.569 2.194 0.996 439 H ILE 60 H ILE 60 -13.995 -0.737 4.383 440 HA ILE 60 HA ILE 60 -12.787 -3.256 4.141 441 HB ILE 60 HB ILE 60 -12.213 -0.990 6.047 442 HG12 ILE 60 1HG1 ILE 60 -10.544 -1.884 3.710 443 HG13 ILE 60 2HG1 ILE 60 -11.908 -0.796 3.480 444 HG21 ILE 60 1HG2 ILE 60 -11.411 -3.043 7.044 445 HG22 ILE 60 2HG2 ILE 60 -10.613 -3.494 5.538 446 HG23 ILE 60 3HG2 ILE 60 -10.047 -2.096 6.452 447 HD11 ILE 60 1HD1 ILE 60 -9.739 -0.191 5.453 448 HD12 ILE 60 2HD1 ILE 60 -9.594 0.231 3.746 449 HD13 ILE 60 3HD1 ILE 60 -10.904 0.907 4.714 450 H GLN 61 H GLN 61 -14.910 -1.924 6.568 451 HA GLN 61 HA GLN 61 -14.391 -3.842 8.595 452 HB2 GLN 61 1HB GLN 61 -16.871 -2.177 8.129 453 HB3 GLN 61 2HB GLN 61 -16.471 -3.030 9.613 454 HG2 GLN 61 1HG GLN 61 -14.299 -1.591 9.516 455 HG3 GLN 61 2HG GLN 61 -15.268 -0.561 8.464 456 HE21 GLN 61 1HE2 GLN 61 -14.734 -1.673 11.676 457 HE22 GLN 61 2HE2 GLN 61 -15.870 -0.633 12.458 458 H GLU 62 H GLU 62 -17.034 -3.544 6.223 459 HA GLU 62 HA GLU 62 -17.557 -6.421 6.599 460 HB2 GLU 62 1HB GLU 62 -19.430 -4.124 6.108 461 HB3 GLU 62 2HB GLU 62 -19.887 -5.764 5.670 462 HG2 GLU 62 1HG GLU 62 -19.479 -6.449 8.017 463 HG3 GLU 62 2HG GLU 62 -19.180 -4.758 8.415 464 HA PRO 63 HA PRO 63 -16.058 -6.000 2.286 465 HB2 PRO 63 1HB PRO 63 -14.924 -8.466 2.224 466 HB3 PRO 63 2HB PRO 63 -14.102 -7.047 2.883 467 HG2 PRO 63 1HG PRO 63 -15.556 -9.232 4.322 468 HG3 PRO 63 2HG PRO 63 -14.012 -8.460 4.727 469 HD2 PRO 63 1HD PRO 63 -16.334 -7.805 5.956 470 HD3 PRO 63 2HD PRO 63 -15.033 -6.628 5.682 471 HA PRO 64 HA PRO 64 -19.458 -8.151 0.470 472 HB2 PRO 64 1HB PRO 64 -18.579 -8.239 -2.097 473 HB3 PRO 64 2HB PRO 64 -19.178 -6.760 -1.336 474 HG2 PRO 64 1HG PRO 64 -16.355 -7.663 -1.760 475 HG3 PRO 64 2HG PRO 64 -17.061 -6.052 -1.988 476 HD2 PRO 64 1HD PRO 64 -15.627 -6.717 0.211 477 HD3 PRO 64 2HD PRO 64 -16.970 -5.556 0.261 478 H HIS 65 H HIS 65 -16.216 -9.254 -0.518 479 HA HIS 65 HA HIS 65 -16.818 -11.735 -1.521 480 HB2 HIS 65 1HB HIS 65 -14.571 -12.304 -1.219 481 HB3 HIS 65 2HB HIS 65 -14.532 -10.544 -1.278 482 HD1 HIS 65 1HD HIS 65 -13.767 -9.314 0.813 483 HD2 HIS 65 2HD HIS 65 -14.096 -13.421 1.350 484 HE1 HIS 65 1HE HIS 65 -12.684 -9.791 3.032 485 H LYS 66 H LYS 66 -17.128 -10.649 1.714 486 HA LYS 66 HA LYS 66 -17.367 -13.394 2.724 487 HB2 LYS 66 1HB LYS 66 -16.811 -10.751 3.980 488 HB3 LYS 66 2HB LYS 66 -17.651 -11.955 4.948 489 HG2 LYS 66 1HG LYS 66 -15.165 -12.746 3.516 490 HG3 LYS 66 2HG LYS 66 -15.039 -11.771 4.982 491 HD2 LYS 66 1HD LYS 66 -16.717 -14.255 4.925 492 HD3 LYS 66 2HD LYS 66 -14.974 -14.346 5.189 493 HE2 LYS 66 1HE LYS 66 -16.823 -12.617 6.822 494 HE3 LYS 66 2HE LYS 66 -16.376 -14.262 7.273 495 HZ1 LYS 66 1HZ LYS 66 -14.446 -13.553 8.067 496 HZ2 LYS 66 2HZ LYS 66 -14.998 -11.966 7.872 497 HZ3 LYS 66 3HZ LYS 66 -14.082 -12.698 6.653 498 H LYS 67 H LYS 67 -19.386 -13.929 1.879 499 HA LYS 67 HA LYS 67 -21.663 -12.306 2.778 500 HB2 LYS 67 1HB LYS 67 -21.451 -14.427 0.637 501 HB3 LYS 67 2HB LYS 67 -22.963 -13.671 1.122 502 HG2 LYS 67 1HG LYS 67 -20.617 -12.078 0.139 503 HG3 LYS 67 2HG LYS 67 -21.832 -12.753 -0.949 504 HD2 LYS 67 1HD LYS 67 -22.564 -11.014 1.392 505 HD3 LYS 67 2HD LYS 67 -22.164 -10.342 -0.190 506 HE2 LYS 67 1HE LYS 67 -23.947 -11.796 -1.166 507 HE3 LYS 67 2HE LYS 67 -24.403 -12.249 0.475 508 HZ1 LYS 67 1HZ LYS 67 -24.899 -9.949 0.955 509 HZ2 LYS 67 2HZ LYS 67 -25.779 -10.451 -0.399 510 HZ3 LYS 67 3HZ LYS 67 -24.409 -9.478 -0.595 511 H SER 68 H SER 68 -21.622 -13.079 4.937 512 HA SER 68 HA SER 68 -21.929 -15.902 5.454 513 HB2 SER 68 1HB SER 68 -21.989 -15.284 7.793 514 HB3 SER 68 2HB SER 68 -20.706 -14.367 7.004 515 HG SER 68 HG SER 68 -21.685 -12.691 7.794 516 H GLY 69 H GLY 69 -23.766 -16.974 6.077 517 HA2 GLY 69 1HA GLY 69 -26.154 -16.062 6.991 518 HA3 GLY 69 2HA GLY 69 -26.264 -15.786 5.258 519 HA PRO 70 HA PRO 70 -27.763 -19.890 4.824 520 HB2 PRO 70 1HB PRO 70 -27.160 -20.313 2.211 521 HB3 PRO 70 2HB PRO 70 -28.475 -19.254 2.734 522 HG2 PRO 70 1HG PRO 70 -25.701 -18.540 1.863 523 HG3 PRO 70 2HG PRO 70 -27.240 -17.761 1.449 524 HD2 PRO 70 1HD PRO 70 -25.565 -16.770 3.332 525 HD3 PRO 70 2HD PRO 70 -27.329 -16.596 3.436 526 H SER 71 H SER 71 -26.889 -21.743 5.481 527 HA SER 71 HA SER 71 -24.084 -22.304 4.780 528 HB2 SER 71 1HB SER 71 -25.716 -23.131 7.187 529 HB3 SER 71 2HB SER 71 -24.125 -23.795 6.818 530 HG SER 71 HG SER 71 -24.838 -21.232 7.674 531 H SER 72 H SER 72 -27.073 -24.065 5.617 532 HA SER 72 HA SER 72 -26.278 -26.485 4.404 533 HB2 SER 72 1HB SER 72 -29.063 -25.469 5.022 534 HB3 SER 72 2HB SER 72 -28.654 -27.137 4.623 535 HG SER 72 HG SER 72 -28.264 -25.724 6.969 536 H GLY 73 H GLY 73 -28.306 -23.809 3.254 537 HA2 GLY 73 1HA GLY 73 -29.002 -23.230 1.145 538 HA3 GLY 73 2HA GLY 73 -27.531 -24.012 0.585 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.615 5.493 -19.237 2 HA2 GLY 1 1HA GLY 1 7.569 3.957 -20.957 3 HA3 GLY 1 2HA GLY 1 9.077 4.832 -20.735 4 H SER 2 H SER 2 7.068 2.301 -19.607 5 HA SER 2 HA SER 2 9.173 1.347 -17.878 6 HB2 SER 2 1HB SER 2 8.110 2.698 -16.237 7 HB3 SER 2 2HB SER 2 6.501 2.217 -16.776 8 HG SER 2 HG SER 2 7.317 1.164 -14.821 9 H SER 3 H SER 3 9.248 -0.818 -17.892 10 HA SER 3 HA SER 3 6.834 -2.312 -18.644 11 HB2 SER 3 1HB SER 3 9.517 -2.372 -19.991 12 HB3 SER 3 2HB SER 3 8.495 -3.809 -19.993 13 HG SER 3 HG SER 3 8.060 -2.569 -21.821 14 H GLY 4 H GLY 4 7.188 -4.730 -18.311 15 HA2 GLY 4 1HA GLY 4 8.228 -6.495 -17.109 16 HA3 GLY 4 2HA GLY 4 9.082 -5.299 -16.145 17 H SER 5 H SER 5 5.621 -5.635 -16.876 18 HA SER 5 HA SER 5 4.799 -4.988 -14.269 19 HB2 SER 5 1HB SER 5 2.577 -5.677 -14.973 20 HB3 SER 5 2HB SER 5 3.358 -4.803 -16.291 21 HG SER 5 HG SER 5 3.367 -6.563 -17.460 22 H SER 6 H SER 6 5.481 -6.167 -12.582 23 HA SER 6 HA SER 6 5.473 -9.082 -12.751 24 HB2 SER 6 1HB SER 6 6.649 -7.109 -10.807 25 HB3 SER 6 2HB SER 6 6.505 -8.816 -10.392 26 HG SER 6 HG SER 6 7.726 -7.976 -12.795 27 H GLY 7 H GLY 7 4.767 -10.204 -10.632 28 HA2 GLY 7 1HA GLY 7 2.462 -8.909 -9.386 29 HA3 GLY 7 2HA GLY 7 2.155 -10.377 -10.302 30 H LYS 8 H LYS 8 1.866 -9.754 -7.409 31 HA LYS 8 HA LYS 8 3.664 -11.831 -6.340 32 HB2 LYS 8 1HB LYS 8 2.317 -9.580 -4.836 33 HB3 LYS 8 2HB LYS 8 3.404 -10.778 -4.147 34 HG2 LYS 8 1HG LYS 8 4.330 -9.039 -6.390 35 HG3 LYS 8 2HG LYS 8 4.294 -8.418 -4.738 36 HD2 LYS 8 1HD LYS 8 5.629 -11.021 -5.428 37 HD3 LYS 8 2HD LYS 8 6.474 -9.477 -5.557 38 HE2 LYS 8 1HE LYS 8 5.054 -10.258 -3.035 39 HE3 LYS 8 2HE LYS 8 6.686 -10.835 -3.372 40 HZ1 LYS 8 1HZ LYS 8 6.188 -7.973 -3.666 41 HZ2 LYS 8 2HZ LYS 8 7.568 -8.779 -3.112 42 HZ3 LYS 8 3HZ LYS 8 6.232 -8.590 -2.091 43 H ALA 9 H ALA 9 0.394 -10.464 -6.075 44 HA ALA 9 HA ALA 9 -0.700 -13.130 -5.775 45 HB1 ALA 9 1HB ALA 9 -0.536 -12.961 -3.518 46 HB2 ALA 9 2HB ALA 9 -0.554 -11.197 -3.535 47 HB3 ALA 9 3HB ALA 9 -2.058 -12.096 -3.731 48 H LYS 10 H LYS 10 -2.897 -13.260 -6.269 49 HA LYS 10 HA LYS 10 -3.926 -10.958 -7.732 50 HB2 LYS 10 1HB LYS 10 -4.677 -13.869 -7.624 51 HB3 LYS 10 2HB LYS 10 -5.732 -12.681 -8.380 52 HG2 LYS 10 1HG LYS 10 -2.875 -12.782 -9.203 53 HG3 LYS 10 2HG LYS 10 -3.977 -14.032 -9.783 54 HD2 LYS 10 1HD LYS 10 -4.805 -11.176 -9.991 55 HD3 LYS 10 2HD LYS 10 -3.616 -11.802 -11.136 56 HE2 LYS 10 1HE LYS 10 -6.213 -13.217 -10.616 57 HE3 LYS 10 2HE LYS 10 -6.090 -11.911 -11.794 58 HZ1 LYS 10 1HZ LYS 10 -4.020 -13.853 -12.117 59 HZ2 LYS 10 2HZ LYS 10 -5.123 -13.258 -13.253 60 HZ3 LYS 10 3HZ LYS 10 -5.557 -14.549 -12.249 61 HA PRO 11 HA PRO 11 -6.778 -9.761 -4.601 62 HB2 PRO 11 1HB PRO 11 -8.619 -8.502 -6.148 63 HB3 PRO 11 2HB PRO 11 -7.033 -7.810 -5.788 64 HG2 PRO 11 1HG PRO 11 -7.952 -9.266 -8.236 65 HG3 PRO 11 2HG PRO 11 -6.960 -7.802 -8.112 66 HD2 PRO 11 1HD PRO 11 -5.895 -10.248 -8.573 67 HD3 PRO 11 2HD PRO 11 -5.038 -8.991 -7.659 68 H VAL 12 H VAL 12 -8.601 -10.520 -3.626 69 HA VAL 12 HA VAL 12 -9.987 -12.716 -4.966 70 HB VAL 12 HB VAL 12 -10.930 -13.199 -2.718 71 HG11 VAL 12 1HG1 VAL 12 -8.055 -13.227 -3.380 72 HG12 VAL 12 2HG1 VAL 12 -8.469 -13.541 -1.694 73 HG13 VAL 12 3HG1 VAL 12 -9.140 -14.555 -2.972 74 HG21 VAL 12 1HG2 VAL 12 -10.954 -11.556 -1.217 75 HG22 VAL 12 2HG2 VAL 12 -9.218 -11.800 -1.023 76 HG23 VAL 12 3HG2 VAL 12 -9.817 -10.593 -2.161 77 H ALA 13 H ALA 13 -10.487 -9.466 -3.922 78 HA ALA 13 HA ALA 13 -13.138 -9.475 -5.092 79 HB1 ALA 13 1HB ALA 13 -12.781 -8.605 -2.228 80 HB2 ALA 13 2HB ALA 13 -14.275 -8.577 -3.166 81 HB3 ALA 13 3HB ALA 13 -13.531 -10.118 -2.737 82 H THR 14 H THR 14 -14.033 -7.270 -5.276 83 HA THR 14 HA THR 14 -12.171 -5.075 -4.896 84 HB THR 14 HB THR 14 -13.166 -5.790 -7.662 85 HG1 THR 14 1HG THR 14 -10.644 -5.997 -6.385 86 HG21 THR 14 1HG2 THR 14 -12.353 -3.800 -8.438 87 HG22 THR 14 2HG2 THR 14 -11.138 -3.675 -7.166 88 HG23 THR 14 3HG2 THR 14 -12.824 -3.293 -6.816 89 H ALA 15 H ALA 15 -13.200 -3.196 -4.512 90 HA ALA 15 HA ALA 15 -15.903 -2.754 -5.466 91 HB1 ALA 15 1HB ALA 15 -16.724 -3.711 -3.577 92 HB2 ALA 15 2HB ALA 15 -15.268 -3.376 -2.639 93 HB3 ALA 15 3HB ALA 15 -16.435 -2.089 -2.946 94 HA PRO 16 HA PRO 16 -13.945 1.248 -5.685 95 HB2 PRO 16 1HB PRO 16 -16.030 2.501 -6.891 96 HB3 PRO 16 2HB PRO 16 -14.915 1.439 -7.759 97 HG2 PRO 16 1HG PRO 16 -17.645 0.847 -6.682 98 HG3 PRO 16 2HG PRO 16 -16.934 0.390 -8.241 99 HD2 PRO 16 1HD PRO 16 -17.098 -1.328 -6.154 100 HD3 PRO 16 2HD PRO 16 -15.772 -1.382 -7.333 101 H ILE 17 H ILE 17 -13.851 2.791 -4.179 102 HA ILE 17 HA ILE 17 -15.808 2.932 -2.097 103 HB ILE 17 HB ILE 17 -13.427 4.706 -2.651 104 HG12 ILE 17 1HG1 ILE 17 -13.841 2.218 -1.017 105 HG13 ILE 17 2HG1 ILE 17 -12.565 2.579 -2.175 106 HG21 ILE 17 1HG2 ILE 17 -15.368 5.618 -1.223 107 HG22 ILE 17 2HG2 ILE 17 -14.823 4.457 -0.014 108 HG23 ILE 17 3HG2 ILE 17 -13.729 5.719 -0.580 109 HD11 ILE 17 1HD1 ILE 17 -11.740 2.574 0.116 110 HD12 ILE 17 2HD1 ILE 17 -11.590 4.170 -0.620 111 HD13 ILE 17 3HD1 ILE 17 -12.884 3.850 0.534 112 HA PRO 18 HA PRO 18 -18.475 5.974 -3.859 113 HB2 PRO 18 1HB PRO 18 -19.686 6.796 -1.573 114 HB3 PRO 18 2HB PRO 18 -20.042 5.246 -2.345 115 HG2 PRO 18 1HG PRO 18 -18.257 5.837 -0.015 116 HG3 PRO 18 2HG PRO 18 -19.415 4.512 -0.229 117 HD2 PRO 18 1HD PRO 18 -16.751 4.192 -0.596 118 HD3 PRO 18 2HD PRO 18 -17.959 3.281 -1.525 119 H GLY 19 H GLY 19 -17.911 7.941 -4.536 120 HA2 GLY 19 1HA GLY 19 -17.569 10.260 -4.200 121 HA3 GLY 19 2HA GLY 19 -16.987 9.914 -2.578 122 H THR 20 H THR 20 -14.999 8.174 -2.875 123 HA THR 20 HA THR 20 -13.023 9.723 -4.378 124 HB THR 20 HB THR 20 -11.405 9.000 -2.921 125 HG1 THR 20 1HG THR 20 -12.954 6.644 -2.766 126 HG21 THR 20 1HG2 THR 20 -14.005 8.847 -1.410 127 HG22 THR 20 2HG2 THR 20 -12.874 10.197 -1.508 128 HG23 THR 20 3HG2 THR 20 -12.437 8.744 -0.609 129 HA PRO 21 HA PRO 21 -12.562 6.682 -7.523 130 HB2 PRO 21 1HB PRO 21 -9.985 7.147 -8.239 131 HB3 PRO 21 2HB PRO 21 -11.309 8.244 -8.651 132 HG2 PRO 21 1HG PRO 21 -9.311 8.436 -6.430 133 HG3 PRO 21 2HG PRO 21 -9.909 9.709 -7.510 134 HD2 PRO 21 1HD PRO 21 -10.829 9.392 -4.983 135 HD3 PRO 21 2HD PRO 21 -11.852 9.996 -6.303 136 H TRP 22 H TRP 22 -11.026 6.507 -4.556 137 HA TRP 22 HA TRP 22 -9.214 4.362 -5.053 138 HB2 TRP 22 1HB TRP 22 -10.431 5.485 -2.531 139 HB3 TRP 22 2HB TRP 22 -9.321 4.118 -2.517 140 HD1 TRP 22 HD TRP 22 -9.415 7.887 -2.895 141 HE1 TRP 22 1HE TRP 22 -7.006 8.790 -2.958 142 HE3 TRP 22 3HE TRP 22 -6.896 3.454 -3.275 143 HZ2 TRP 22 2HZ TRP 22 -4.385 7.760 -3.145 144 HZ3 TRP 22 3HZ TRP 22 -4.439 3.501 -3.391 145 HH2 TRP 22 HH TRP 22 -3.211 5.610 -3.328 146 H CYS 23 H CYS 23 -9.447 2.170 -4.638 147 HA CYS 23 HA CYS 23 -12.203 1.232 -4.192 148 HB2 CYS 23 1HB CYS 23 -12.023 0.642 -6.395 149 HB3 CYS 23 2HB CYS 23 -10.268 0.544 -6.337 150 HG CYS 23 HG CYS 23 -11.885 -1.836 -4.602 151 H VAL 24 H VAL 24 -12.476 -0.519 -2.868 152 HA VAL 24 HA VAL 24 -10.185 -1.230 -1.221 153 HB VAL 24 HB VAL 24 -13.089 -2.013 -0.921 154 HG11 VAL 24 1HG1 VAL 24 -11.931 -3.615 0.285 155 HG12 VAL 24 2HG1 VAL 24 -10.647 -2.493 0.740 156 HG13 VAL 24 3HG1 VAL 24 -12.235 -2.374 1.500 157 HG21 VAL 24 1HG2 VAL 24 -11.534 0.356 -0.078 158 HG22 VAL 24 2HG2 VAL 24 -13.250 0.199 -0.452 159 HG23 VAL 24 3HG2 VAL 24 -12.637 -0.331 1.114 160 H VAL 25 H VAL 25 -8.976 -2.599 -2.525 161 HA VAL 25 HA VAL 25 -10.260 -5.022 -3.544 162 HB VAL 25 HB VAL 25 -7.423 -4.059 -3.939 163 HG11 VAL 25 1HG1 VAL 25 -8.755 -6.015 -5.737 164 HG12 VAL 25 2HG1 VAL 25 -7.051 -5.845 -5.312 165 HG13 VAL 25 3HG1 VAL 25 -8.175 -6.585 -4.172 166 HG21 VAL 25 1HG2 VAL 25 -9.907 -3.735 -5.600 167 HG22 VAL 25 2HG2 VAL 25 -8.808 -2.486 -5.017 168 HG23 VAL 25 3HG2 VAL 25 -8.288 -3.596 -6.284 169 H TRP 26 H TRP 26 -10.058 -6.944 -2.590 170 HA TRP 26 HA TRP 26 -8.314 -7.143 -0.245 171 HB2 TRP 26 1HB TRP 26 -10.691 -8.761 -1.165 172 HB3 TRP 26 2HB TRP 26 -9.668 -9.253 0.182 173 HD1 TRP 26 HD TRP 26 -9.994 -8.019 2.479 174 HE1 TRP 26 1HE TRP 26 -11.728 -6.325 3.345 175 HE3 TRP 26 3HE TRP 26 -12.159 -6.728 -1.968 176 HZ2 TRP 26 2HZ TRP 26 -13.747 -4.663 2.284 177 HZ3 TRP 26 3HZ TRP 26 -13.986 -5.079 -1.956 178 HH2 TRP 26 HH TRP 26 -14.762 -4.070 0.127 179 H THR 27 H THR 27 -7.434 -9.439 0.131 180 HA THR 27 HA THR 27 -6.503 -10.640 -2.382 181 HB THR 27 HB THR 27 -4.230 -10.925 -1.312 182 HG1 THR 27 1HG THR 27 -3.903 -10.095 0.608 183 HG21 THR 27 1HG2 THR 27 -4.841 -8.010 -1.637 184 HG22 THR 27 2HG2 THR 27 -4.978 -9.109 -3.010 185 HG23 THR 27 3HG2 THR 27 -3.433 -8.922 -2.180 186 H GLY 28 H GLY 28 -5.182 -12.728 -1.791 187 HA2 GLY 28 1HA GLY 28 -7.006 -14.418 -0.353 188 HA3 GLY 28 2HA GLY 28 -5.519 -14.921 -1.142 189 H ASP 29 H ASP 29 -4.096 -12.743 0.438 190 HA ASP 29 HA ASP 29 -3.502 -14.428 2.722 191 HB2 ASP 29 1HB ASP 29 -1.848 -13.062 1.173 192 HB3 ASP 29 2HB ASP 29 -2.206 -11.767 2.313 193 H GLU 30 H GLU 30 -6.072 -13.373 2.855 194 HA GLU 30 HA GLU 30 -7.486 -12.047 4.087 195 HB2 GLU 30 1HB GLU 30 -5.402 -13.043 6.003 196 HB3 GLU 30 2HB GLU 30 -6.710 -12.015 6.571 197 HG2 GLU 30 1HG GLU 30 -7.383 -14.413 4.949 198 HG3 GLU 30 2HG GLU 30 -6.903 -14.629 6.631 199 H ARG 31 H ARG 31 -5.910 -10.406 2.590 200 HA ARG 31 HA ARG 31 -5.515 -8.136 4.411 201 HB2 ARG 31 1HB ARG 31 -3.570 -9.303 2.486 202 HB3 ARG 31 2HB ARG 31 -3.637 -7.550 2.603 203 HG2 ARG 31 1HG ARG 31 -3.401 -9.202 5.079 204 HG3 ARG 31 2HG ARG 31 -1.980 -8.879 4.084 205 HD2 ARG 31 1HD ARG 31 -2.120 -6.568 4.432 206 HD3 ARG 31 2HD ARG 31 -3.789 -6.667 4.992 207 HE ARG 31 HE ARG 31 -1.964 -8.086 6.681 208 HH11 ARG 31 2HH1 ARG 31 -3.297 -4.954 5.950 209 HH12 ARG 31 1HH1 ARG 31 -3.015 -4.320 7.537 210 HH21 ARG 31 2HH2 ARG 31 -1.588 -7.262 8.774 211 HH22 ARG 31 1HH2 ARG 31 -2.042 -5.633 9.142 212 H VAL 32 H VAL 32 -5.465 -6.030 3.210 213 HA VAL 32 HA VAL 32 -6.867 -6.058 0.651 214 HB VAL 32 HB VAL 32 -8.708 -6.005 2.207 215 HG11 VAL 32 1HG1 VAL 32 -8.071 -5.289 4.262 216 HG12 VAL 32 2HG1 VAL 32 -6.986 -4.055 3.619 217 HG13 VAL 32 3HG1 VAL 32 -8.726 -3.766 3.663 218 HG21 VAL 32 1HG2 VAL 32 -9.080 -3.263 1.727 219 HG22 VAL 32 2HG2 VAL 32 -8.097 -3.868 0.394 220 HG23 VAL 32 3HG2 VAL 32 -9.654 -4.616 0.752 221 H PHE 33 H PHE 33 -6.370 -4.355 -0.637 222 HA PHE 33 HA PHE 33 -4.755 -2.193 0.543 223 HB2 PHE 33 1HB PHE 33 -3.325 -2.182 -1.400 224 HB3 PHE 33 2HB PHE 33 -3.373 -3.819 -0.754 225 HD1 PHE 33 1HD PHE 33 -4.773 -5.541 -1.894 226 HD2 PHE 33 2HD PHE 33 -4.037 -1.708 -3.592 227 HE1 PHE 33 1HE PHE 33 -5.448 -6.393 -4.102 228 HE2 PHE 33 2HE PHE 33 -4.711 -2.554 -5.802 229 HZ PHE 33 HZ PHE 33 -5.418 -4.899 -6.059 230 H PHE 34 H PHE 34 -4.683 -0.219 -0.844 231 HA PHE 34 HA PHE 34 -7.343 0.252 -1.999 232 HB2 PHE 34 1HB PHE 34 -5.346 2.329 -1.088 233 HB3 PHE 34 2HB PHE 34 -7.043 2.580 -1.482 234 HD1 PHE 34 2HD PHE 34 -4.825 0.775 0.891 235 HD2 PHE 34 1HD PHE 34 -8.646 2.514 0.188 236 HE1 PHE 34 2HE PHE 34 -5.420 0.414 3.251 237 HE2 PHE 34 1HE PHE 34 -9.247 2.156 2.547 238 HZ PHE 34 HZ PHE 34 -7.634 1.104 4.082 239 H TYR 35 H TYR 35 -7.555 0.617 -4.107 240 HA TYR 35 HA TYR 35 -5.132 1.253 -5.659 241 HB2 TYR 35 1HB TYR 35 -5.796 -0.938 -6.281 242 HB3 TYR 35 2HB TYR 35 -7.497 -0.489 -6.340 243 HD1 TYR 35 1HD TYR 35 -4.297 0.634 -7.929 244 HD2 TYR 35 2HD TYR 35 -8.407 -0.336 -8.445 245 HE1 TYR 35 1HE TYR 35 -4.091 1.071 -10.340 246 HE2 TYR 35 2HE TYR 35 -8.212 0.097 -10.858 247 HH TYR 35 HH TYR 35 -6.562 0.221 -12.579 248 H ASN 36 H ASN 36 -5.384 2.610 -7.504 249 HA ASN 36 HA ASN 36 -7.869 4.173 -7.590 250 HB2 ASN 36 1HB ASN 36 -6.132 5.371 -6.238 251 HB3 ASN 36 2HB ASN 36 -5.108 5.405 -7.671 252 HD21 ASN 36 1HD2 ASN 36 -6.755 7.390 -5.930 253 HD22 ASN 36 2HD2 ASN 36 -7.485 8.411 -7.118 254 HA PRO 37 HA PRO 37 -6.962 2.894 -11.851 255 HB2 PRO 37 1HB PRO 37 -9.534 3.133 -12.687 256 HB3 PRO 37 2HB PRO 37 -8.930 1.709 -11.833 257 HG2 PRO 37 1HG PRO 37 -10.477 4.041 -10.769 258 HG3 PRO 37 2HG PRO 37 -10.681 2.313 -10.426 259 HD2 PRO 37 1HD PRO 37 -9.391 3.991 -8.738 260 HD3 PRO 37 2HD PRO 37 -8.947 2.281 -8.909 261 H THR 38 H THR 38 -7.826 5.795 -10.431 262 HA THR 38 HA THR 38 -8.157 7.227 -12.959 263 HB THR 38 HB THR 38 -8.309 8.274 -10.125 264 HG1 THR 38 1HG THR 38 -10.091 7.027 -10.412 265 HG21 THR 38 1HG2 THR 38 -7.773 9.779 -12.266 266 HG22 THR 38 2HG2 THR 38 -8.802 10.341 -10.949 267 HG23 THR 38 3HG2 THR 38 -9.528 9.700 -12.423 268 H THR 39 H THR 39 -5.911 6.851 -10.294 269 HA THR 39 HA THR 39 -4.000 8.576 -11.733 270 HB THR 39 HB THR 39 -2.948 9.116 -9.591 271 HG1 THR 39 1HG THR 39 -4.041 8.461 -7.653 272 HG21 THR 39 1HG2 THR 39 -4.358 10.829 -9.209 273 HG22 THR 39 2HG2 THR 39 -5.725 9.759 -8.893 274 HG23 THR 39 3HG2 THR 39 -5.281 10.157 -10.553 275 H ARG 40 H ARG 40 -4.665 5.508 -11.422 276 HA ARG 40 HA ARG 40 -3.522 3.534 -11.342 277 HB2 ARG 40 1HB ARG 40 -1.262 5.241 -12.400 278 HB3 ARG 40 2HB ARG 40 -1.432 3.500 -12.579 279 HG2 ARG 40 1HG ARG 40 -3.537 3.927 -13.865 280 HG3 ARG 40 2HG ARG 40 -3.131 5.644 -13.826 281 HD2 ARG 40 1HD ARG 40 -1.348 5.394 -15.246 282 HD3 ARG 40 2HD ARG 40 -1.074 3.717 -14.779 283 HE ARG 40 HE ARG 40 -3.547 4.041 -16.154 284 HH11 ARG 40 2HH1 ARG 40 -0.106 3.788 -16.615 285 HH12 ARG 40 1HH1 ARG 40 -0.237 3.157 -18.223 286 HH21 ARG 40 2HH2 ARG 40 -3.732 3.211 -18.270 287 HH22 ARG 40 1HH2 ARG 40 -2.300 2.829 -19.164 288 H LEU 41 H LEU 41 -3.528 4.944 -8.891 289 HA LEU 41 HA LEU 41 -0.854 4.370 -7.810 290 HB2 LEU 41 1HB LEU 41 -2.127 6.666 -7.580 291 HB3 LEU 41 2HB LEU 41 -2.928 5.831 -6.251 292 HG LEU 41 HG LEU 41 -1.126 7.132 -5.363 293 HD11 LEU 41 1HD1 LEU 41 -1.536 4.838 -4.455 294 HD12 LEU 41 2HD1 LEU 41 0.088 5.463 -4.175 295 HD13 LEU 41 3HD1 LEU 41 -0.190 4.271 -5.444 296 HD21 LEU 41 1HD2 LEU 41 1.259 6.280 -6.150 297 HD22 LEU 41 2HD2 LEU 41 0.417 7.594 -6.971 298 HD23 LEU 41 3HD2 LEU 41 0.373 5.963 -7.642 299 H SER 42 H SER 42 -0.585 2.711 -6.462 300 HA SER 42 HA SER 42 -2.928 1.604 -5.080 301 HB2 SER 42 1HB SER 42 -2.274 -0.667 -5.641 302 HB3 SER 42 2HB SER 42 -2.473 0.260 -7.127 303 HG SER 42 HG SER 42 -0.089 0.618 -6.882 304 H MET 43 H MET 43 -2.551 1.589 -2.974 305 HA MET 43 HA MET 43 0.206 1.132 -2.041 306 HB2 MET 43 1HB MET 43 -1.796 2.695 -0.444 307 HB3 MET 43 2HB MET 43 -0.040 2.716 -0.342 308 HG2 MET 43 1HG MET 43 -0.268 3.651 -2.802 309 HG3 MET 43 2HG MET 43 -1.853 4.139 -2.205 310 HE1 MET 43 1HE MET 43 -0.626 6.127 1.062 311 HE2 MET 43 2HE MET 43 -1.924 5.134 0.400 312 HE3 MET 43 3HE MET 43 -0.467 4.370 1.037 313 H TRP 44 H TRP 44 0.432 0.036 -0.008 314 HA TRP 44 HA TRP 44 -1.479 -2.091 0.294 315 HB2 TRP 44 1HB TRP 44 1.211 -1.449 1.394 316 HB3 TRP 44 2HB TRP 44 0.192 -2.537 2.333 317 HD1 TRP 44 HD TRP 44 2.559 -2.514 -0.519 318 HE1 TRP 44 1HE TRP 44 2.577 -4.807 -1.688 319 HE3 TRP 44 3HE TRP 44 -1.592 -4.562 1.650 320 HZ2 TRP 44 2HZ TRP 44 1.034 -7.171 -1.690 321 HZ3 TRP 44 3HZ TRP 44 -2.254 -6.843 1.010 322 HH2 TRP 44 HH TRP 44 -0.967 -8.119 -0.626 323 H ASP 45 H ASP 45 -0.897 0.952 1.783 324 HA ASP 45 HA ASP 45 -2.738 0.260 3.976 325 HB2 ASP 45 1HB ASP 45 -0.391 1.038 4.571 326 HB3 ASP 45 2HB ASP 45 -0.851 2.615 3.934 327 H ARG 46 H ARG 46 -3.937 2.314 4.784 328 HA ARG 46 HA ARG 46 -5.481 3.278 2.556 329 HB2 ARG 46 1HB ARG 46 -6.489 2.629 4.744 330 HB3 ARG 46 2HB ARG 46 -5.701 4.020 5.477 331 HG2 ARG 46 1HG ARG 46 -7.415 4.508 3.109 332 HG3 ARG 46 2HG ARG 46 -8.209 4.090 4.629 333 HD2 ARG 46 1HD ARG 46 -6.103 6.219 4.526 334 HD3 ARG 46 2HD ARG 46 -7.773 6.578 4.087 335 HE ARG 46 HE ARG 46 -6.736 6.121 6.725 336 HH11 ARG 46 2HH1 ARG 46 -9.571 5.996 4.708 337 HH12 ARG 46 1HH1 ARG 46 -10.679 6.153 6.031 338 HH21 ARG 46 2HH2 ARG 46 -8.184 6.328 8.475 339 HH22 ARG 46 1HH2 ARG 46 -9.889 6.342 8.173 340 HA PRO 47 HA PRO 47 -2.913 6.895 2.042 341 HB2 PRO 47 1HB PRO 47 -4.326 7.923 -0.036 342 HB3 PRO 47 2HB PRO 47 -3.187 6.584 -0.218 343 HG2 PRO 47 1HG PRO 47 -6.170 6.514 0.020 344 HG3 PRO 47 2HG PRO 47 -5.113 5.596 -1.069 345 HD2 PRO 47 1HD PRO 47 -6.152 4.531 1.193 346 HD3 PRO 47 2HD PRO 47 -4.563 4.058 0.557 347 H ASP 48 H ASP 48 -3.199 9.209 2.162 348 HA ASP 48 HA ASP 48 -4.992 10.024 4.158 349 HB2 ASP 48 1HB ASP 48 -4.330 12.389 3.178 350 HB3 ASP 48 2HB ASP 48 -3.158 11.410 4.056 351 H ASP 49 H ASP 49 -5.057 10.553 0.645 352 HA ASP 49 HA ASP 49 -7.166 12.178 0.272 353 HB2 ASP 49 1HB ASP 49 -6.500 9.632 -1.203 354 HB3 ASP 49 2HB ASP 49 -7.762 10.736 -1.743 355 H LEU 50 H LEU 50 -7.297 8.993 1.628 356 HA LEU 50 HA LEU 50 -10.228 9.004 1.554 357 HB2 LEU 50 1HB LEU 50 -8.207 6.861 2.154 358 HB3 LEU 50 2HB LEU 50 -9.928 6.656 2.475 359 HG LEU 50 HG LEU 50 -8.673 7.117 -0.230 360 HD11 LEU 50 1HD1 LEU 50 -9.667 4.681 1.198 361 HD12 LEU 50 2HD1 LEU 50 -8.158 4.920 0.319 362 HD13 LEU 50 3HD1 LEU 50 -9.677 4.771 -0.564 363 HD21 LEU 50 1HD2 LEU 50 -11.325 6.154 -0.391 364 HD22 LEU 50 2HD2 LEU 50 -10.690 7.706 -0.937 365 HD23 LEU 50 3HD2 LEU 50 -11.333 7.542 0.698 366 H ILE 51 H ILE 51 -7.488 9.056 3.742 367 HA ILE 51 HA ILE 51 -8.589 8.520 6.176 368 HB ILE 51 HB ILE 51 -6.619 10.698 5.484 369 HG12 ILE 51 1HG1 ILE 51 -6.223 7.948 6.683 370 HG13 ILE 51 2HG1 ILE 51 -5.943 8.359 4.995 371 HG21 ILE 51 1HG2 ILE 51 -6.735 11.444 7.569 372 HG22 ILE 51 2HG2 ILE 51 -8.014 10.285 7.924 373 HG23 ILE 51 3HG2 ILE 51 -6.326 9.837 8.167 374 HD11 ILE 51 1HD1 ILE 51 -4.349 9.025 7.403 375 HD12 ILE 51 2HD1 ILE 51 -3.825 8.516 5.797 376 HD13 ILE 51 3HD1 ILE 51 -4.361 10.174 6.065 377 H GLY 52 H GLY 52 -10.302 9.256 7.235 378 HA2 GLY 52 1HA GLY 52 -11.288 11.231 8.331 379 HA3 GLY 52 2HA GLY 52 -11.111 12.065 6.794 380 H ARG 53 H ARG 53 -11.989 9.732 5.245 381 HA ARG 53 HA ARG 53 -14.827 10.226 5.442 382 HB2 ARG 53 1HB ARG 53 -13.283 8.434 3.557 383 HB3 ARG 53 2HB ARG 53 -14.981 8.865 3.403 384 HG2 ARG 53 1HG ARG 53 -14.209 11.277 3.281 385 HG3 ARG 53 2HG ARG 53 -12.578 10.633 3.081 386 HD2 ARG 53 1HD ARG 53 -13.033 9.754 1.009 387 HD3 ARG 53 2HD ARG 53 -14.757 9.590 1.340 388 HE ARG 53 HE ARG 53 -15.069 11.689 0.498 389 HH11 ARG 53 2HH1 ARG 53 -11.705 11.291 1.302 390 HH12 ARG 53 1HH1 ARG 53 -11.226 12.807 0.614 391 HH21 ARG 53 2HH2 ARG 53 -14.451 13.687 -0.412 392 HH22 ARG 53 1HH2 ARG 53 -12.790 14.170 -0.360 393 H ALA 54 H ALA 54 -16.411 8.779 5.995 394 HA ALA 54 HA ALA 54 -15.587 6.572 7.671 395 HB1 ALA 54 1HB ALA 54 -17.852 8.277 7.500 396 HB2 ALA 54 2HB ALA 54 -18.403 6.609 7.349 397 HB3 ALA 54 3HB ALA 54 -17.450 7.099 8.750 398 H ASP 55 H ASP 55 -17.243 7.035 4.591 399 HA ASP 55 HA ASP 55 -18.231 4.541 4.067 400 HB2 ASP 55 1HB ASP 55 -17.347 5.118 1.615 401 HB3 ASP 55 2HB ASP 55 -18.707 5.967 2.344 402 H VAL 56 H VAL 56 -14.939 5.631 3.223 403 HA VAL 56 HA VAL 56 -13.891 3.337 2.192 404 HB VAL 56 HB VAL 56 -12.549 5.317 2.256 405 HG11 VAL 56 1HG1 VAL 56 -13.395 6.230 4.367 406 HG12 VAL 56 2HG1 VAL 56 -12.473 5.017 5.257 407 HG13 VAL 56 3HG1 VAL 56 -11.633 6.245 4.310 408 HG21 VAL 56 1HG2 VAL 56 -10.431 4.405 3.344 409 HG22 VAL 56 2HG2 VAL 56 -11.407 3.012 3.811 410 HG23 VAL 56 3HG2 VAL 56 -11.189 3.405 2.105 411 H ASP 57 H ASP 57 -14.163 4.158 5.634 412 HA ASP 57 HA ASP 57 -12.892 1.847 6.624 413 HB2 ASP 57 1HB ASP 57 -14.834 3.812 7.815 414 HB3 ASP 57 2HB ASP 57 -14.290 2.407 8.727 415 H LYS 58 H LYS 58 -16.381 2.586 6.744 416 HA LYS 58 HA LYS 58 -17.459 0.275 7.527 417 HB2 LYS 58 1HB LYS 58 -18.529 2.445 6.437 418 HB3 LYS 58 2HB LYS 58 -18.642 1.398 5.029 419 HG2 LYS 58 1HG LYS 58 -20.022 -0.151 6.188 420 HG3 LYS 58 2HG LYS 58 -19.733 0.656 7.731 421 HD2 LYS 58 1HD LYS 58 -21.770 1.551 7.223 422 HD3 LYS 58 2HD LYS 58 -20.735 2.726 6.407 423 HE2 LYS 58 1HE LYS 58 -21.131 1.759 4.296 424 HE3 LYS 58 2HE LYS 58 -21.811 0.295 5.005 425 HZ1 LYS 58 1HZ LYS 58 -23.643 1.730 5.870 426 HZ2 LYS 58 2HZ LYS 58 -23.601 1.582 4.185 427 HZ3 LYS 58 3HZ LYS 58 -23.035 2.994 4.925 428 H ILE 59 H ILE 59 -16.585 0.874 4.122 429 HA ILE 59 HA ILE 59 -17.228 -1.541 3.014 430 HB ILE 59 HB ILE 59 -14.746 0.068 2.398 431 HG12 ILE 59 1HG1 ILE 59 -17.401 0.163 0.970 432 HG13 ILE 59 2HG1 ILE 59 -17.018 1.239 2.308 433 HG21 ILE 59 1HG2 ILE 59 -16.159 -2.137 0.931 434 HG22 ILE 59 2HG2 ILE 59 -15.128 -0.975 0.097 435 HG23 ILE 59 3HG2 ILE 59 -14.452 -2.009 1.356 436 HD11 ILE 59 1HD1 ILE 59 -15.348 2.330 1.100 437 HD12 ILE 59 2HD1 ILE 59 -15.254 1.043 -0.103 438 HD13 ILE 59 3HD1 ILE 59 -16.661 2.106 -0.056 439 H ILE 60 H ILE 60 -13.992 -0.736 4.291 440 HA ILE 60 HA ILE 60 -12.922 -3.307 4.097 441 HB ILE 60 HB ILE 60 -12.222 -1.114 6.051 442 HG12 ILE 60 1HG1 ILE 60 -10.608 -1.867 3.644 443 HG13 ILE 60 2HG1 ILE 60 -12.033 -0.855 3.438 444 HG21 ILE 60 1HG2 ILE 60 -10.626 -3.553 5.281 445 HG22 ILE 60 2HG2 ILE 60 -10.111 -2.267 6.372 446 HG23 ILE 60 3HG2 ILE 60 -11.456 -3.317 6.819 447 HD11 ILE 60 1HD1 ILE 60 -9.490 0.003 4.037 448 HD12 ILE 60 2HD1 ILE 60 -10.975 0.941 4.198 449 HD13 ILE 60 3HD1 ILE 60 -10.326 0.072 5.588 450 H GLN 61 H GLN 61 -14.494 -1.706 6.855 451 HA GLN 61 HA GLN 61 -14.195 -3.620 8.795 452 HB2 GLN 61 1HB GLN 61 -16.615 -1.900 8.233 453 HB3 GLN 61 2HB GLN 61 -16.366 -2.804 9.721 454 HG2 GLN 61 1HG GLN 61 -14.103 -1.474 9.767 455 HG3 GLN 61 2HG GLN 61 -14.995 -0.362 8.730 456 HE21 GLN 61 1HE2 GLN 61 -14.433 -1.416 11.898 457 HE22 GLN 61 2HE2 GLN 61 -15.628 -0.452 12.690 458 H GLU 62 H GLU 62 -16.811 -3.449 6.385 459 HA GLU 62 HA GLU 62 -17.282 -6.321 6.843 460 HB2 GLU 62 1HB GLU 62 -19.246 -4.079 6.479 461 HB3 GLU 62 2HB GLU 62 -19.681 -5.725 6.042 462 HG2 GLU 62 1HG GLU 62 -19.172 -6.445 8.338 463 HG3 GLU 62 2HG GLU 62 -18.816 -4.771 8.762 464 HA PRO 63 HA PRO 63 -16.046 -5.847 2.453 465 HB2 PRO 63 1HB PRO 63 -14.841 -8.276 2.318 466 HB3 PRO 63 2HB PRO 63 -14.027 -6.833 2.934 467 HG2 PRO 63 1HG PRO 63 -15.328 -9.065 4.447 468 HG3 PRO 63 2HG PRO 63 -13.788 -8.246 4.765 469 HD2 PRO 63 1HD PRO 63 -16.055 -7.665 6.127 470 HD3 PRO 63 2HD PRO 63 -14.809 -6.447 5.782 471 HA PRO 64 HA PRO 64 -19.447 -8.111 0.791 472 HB2 PRO 64 1HB PRO 64 -18.654 -8.258 -1.801 473 HB3 PRO 64 2HB PRO 64 -19.247 -6.766 -1.061 474 HG2 PRO 64 1HG PRO 64 -16.429 -7.645 -1.557 475 HG3 PRO 64 2HG PRO 64 -17.163 -6.050 -1.804 476 HD2 PRO 64 1HD PRO 64 -15.647 -6.636 0.361 477 HD3 PRO 64 2HD PRO 64 -17.003 -5.491 0.426 478 H HIS 65 H HIS 65 -16.261 -9.197 -0.396 479 HA HIS 65 HA HIS 65 -16.855 -11.708 -1.270 480 HB2 HIS 65 1HB HIS 65 -14.604 -12.171 -1.163 481 HB3 HIS 65 2HB HIS 65 -14.563 -10.416 -1.022 482 HD1 HIS 65 1HD HIS 65 -13.801 -9.426 1.214 483 HD2 HIS 65 2HD HIS 65 -13.958 -13.578 1.197 484 HE1 HIS 65 1HE HIS 65 -12.619 -10.153 3.311 485 H LYS 66 H LYS 66 -17.015 -10.554 1.961 486 HA LYS 66 HA LYS 66 -17.213 -13.281 3.028 487 HB2 LYS 66 1HB LYS 66 -16.553 -10.627 4.196 488 HB3 LYS 66 2HB LYS 66 -17.386 -11.778 5.234 489 HG2 LYS 66 1HG LYS 66 -15.013 -12.734 3.732 490 HG3 LYS 66 2HG LYS 66 -14.751 -11.655 5.103 491 HD2 LYS 66 1HD LYS 66 -14.711 -13.661 6.192 492 HD3 LYS 66 2HD LYS 66 -16.443 -13.326 6.271 493 HE2 LYS 66 1HE LYS 66 -16.848 -14.741 4.362 494 HE3 LYS 66 2HE LYS 66 -15.117 -14.980 4.125 495 HZ1 LYS 66 1HZ LYS 66 -15.101 -16.610 5.610 496 HZ2 LYS 66 2HZ LYS 66 -16.792 -16.563 5.602 497 HZ3 LYS 66 3HZ LYS 66 -15.927 -15.689 6.763 498 H LYS 67 H LYS 67 -19.306 -12.272 1.389 499 HA LYS 67 HA LYS 67 -21.460 -11.607 3.247 500 HB2 LYS 67 1HB LYS 67 -22.810 -11.226 1.238 501 HB3 LYS 67 2HB LYS 67 -21.310 -10.309 1.179 502 HG2 LYS 67 1HG LYS 67 -20.458 -12.410 -0.148 503 HG3 LYS 67 2HG LYS 67 -22.182 -12.634 -0.456 504 HD2 LYS 67 1HD LYS 67 -22.183 -10.174 -1.169 505 HD3 LYS 67 2HD LYS 67 -20.424 -10.318 -1.214 506 HE2 LYS 67 1HE LYS 67 -20.571 -12.091 -2.844 507 HE3 LYS 67 2HE LYS 67 -22.330 -12.100 -2.727 508 HZ1 LYS 67 1HZ LYS 67 -21.138 -10.826 -4.641 509 HZ2 LYS 67 2HZ LYS 67 -20.971 -9.609 -3.478 510 HZ3 LYS 67 3HZ LYS 67 -22.511 -10.165 -3.905 511 H SER 68 H SER 68 -20.633 -14.067 0.823 512 HA SER 68 HA SER 68 -22.807 -15.681 0.831 513 HB2 SER 68 1HB SER 68 -21.353 -17.546 0.323 514 HB3 SER 68 2HB SER 68 -20.684 -16.097 -0.426 515 HG SER 68 HG SER 68 -19.475 -16.022 1.740 516 H GLY 69 H GLY 69 -23.991 -16.640 2.340 517 HA2 GLY 69 1HA GLY 69 -23.417 -18.403 4.234 518 HA3 GLY 69 2HA GLY 69 -22.910 -16.924 5.035 519 HA PRO 70 HA PRO 70 -27.022 -16.537 6.543 520 HB2 PRO 70 1HB PRO 70 -26.990 -13.898 7.179 521 HB3 PRO 70 2HB PRO 70 -26.146 -15.125 8.130 522 HG2 PRO 70 1HG PRO 70 -25.060 -13.257 6.057 523 HG3 PRO 70 2HG PRO 70 -24.370 -13.710 7.627 524 HD2 PRO 70 1HD PRO 70 -23.526 -14.799 5.296 525 HD3 PRO 70 2HD PRO 70 -23.530 -15.701 6.825 526 H SER 71 H SER 71 -28.515 -16.766 4.952 527 HA SER 71 HA SER 71 -28.745 -15.042 2.712 528 HB2 SER 71 1HB SER 71 -30.485 -17.189 3.893 529 HB3 SER 71 2HB SER 71 -31.074 -16.194 2.561 530 HG SER 71 HG SER 71 -29.814 -17.241 1.243 531 H SER 72 H SER 72 -30.002 -13.287 2.346 532 HA SER 72 HA SER 72 -31.180 -12.013 4.679 533 HB2 SER 72 1HB SER 72 -31.337 -10.021 3.259 534 HB3 SER 72 2HB SER 72 -29.711 -10.702 3.191 535 HG SER 72 HG SER 72 -30.983 -11.881 1.271 536 H GLY 73 H GLY 73 -33.323 -11.397 4.872 537 HA2 GLY 73 1HA GLY 73 -35.528 -11.101 3.911 538 HA3 GLY 73 2HA GLY 73 -35.167 -12.423 2.811 Start of MODEL 19 1 H1 GLY 1 H GLY 1 15.622 -3.277 3.670 2 HA2 GLY 1 1HA GLY 1 17.748 -3.988 3.088 3 HA3 GLY 1 2HA GLY 1 17.377 -5.238 4.266 4 H SER 2 H SER 2 18.474 -6.890 3.277 5 HA SER 2 HA SER 2 18.146 -7.479 0.490 6 HB2 SER 2 1HB SER 2 19.449 -9.545 1.053 7 HB3 SER 2 2HB SER 2 20.243 -8.049 1.545 8 HG SER 2 HG SER 2 20.369 -9.146 3.366 9 H SER 3 H SER 3 15.953 -7.802 0.139 10 HA SER 3 HA SER 3 14.721 -10.087 1.520 11 HB2 SER 3 1HB SER 3 13.465 -7.813 -0.034 12 HB3 SER 3 2HB SER 3 12.567 -9.169 0.646 13 HG SER 3 HG SER 3 13.199 -8.513 2.699 14 H GLY 4 H GLY 4 13.258 -11.451 0.177 15 HA2 GLY 4 1HA GLY 4 14.677 -12.281 -2.205 16 HA3 GLY 4 2HA GLY 4 13.309 -13.098 -1.465 17 H SER 5 H SER 5 12.033 -13.377 -3.228 18 HA SER 5 HA SER 5 11.428 -11.064 -4.912 19 HB2 SER 5 1HB SER 5 11.922 -12.982 -6.212 20 HB3 SER 5 2HB SER 5 10.916 -14.022 -5.205 21 HG SER 5 HG SER 5 10.045 -13.268 -7.321 22 H SER 6 H SER 6 9.454 -10.115 -5.030 23 HA SER 6 HA SER 6 7.329 -11.198 -3.302 24 HB2 SER 6 1HB SER 6 8.392 -8.397 -3.497 25 HB3 SER 6 2HB SER 6 6.717 -8.675 -3.023 26 HG SER 6 HG SER 6 9.087 -9.454 -1.711 27 H GLY 7 H GLY 7 5.447 -11.520 -4.295 28 HA2 GLY 7 1HA GLY 7 3.996 -9.961 -5.935 29 HA3 GLY 7 2HA GLY 7 5.145 -10.680 -7.054 30 H LYS 8 H LYS 8 4.251 -12.289 -8.141 31 HA LYS 8 HA LYS 8 2.641 -13.874 -8.670 32 HB2 LYS 8 1HB LYS 8 3.066 -15.916 -7.071 33 HB3 LYS 8 2HB LYS 8 4.315 -15.380 -8.187 34 HG2 LYS 8 1HG LYS 8 5.485 -15.672 -6.223 35 HG3 LYS 8 2HG LYS 8 5.139 -13.941 -6.204 36 HD2 LYS 8 1HD LYS 8 4.586 -14.602 -4.047 37 HD3 LYS 8 2HD LYS 8 3.026 -14.622 -4.873 38 HE2 LYS 8 1HE LYS 8 2.979 -16.645 -3.782 39 HE3 LYS 8 2HE LYS 8 3.641 -17.118 -5.346 40 HZ1 LYS 8 1HZ LYS 8 5.771 -17.311 -4.469 41 HZ2 LYS 8 2HZ LYS 8 4.792 -17.977 -3.261 42 HZ3 LYS 8 3HZ LYS 8 5.405 -16.410 -3.084 43 H ALA 9 H ALA 9 1.363 -11.905 -7.206 44 HA ALA 9 HA ALA 9 -0.522 -13.506 -5.608 45 HB1 ALA 9 1HB ALA 9 -0.034 -12.285 -3.821 46 HB2 ALA 9 2HB ALA 9 1.037 -11.248 -4.764 47 HB3 ALA 9 3HB ALA 9 -0.684 -10.876 -4.660 48 H LYS 10 H LYS 10 -2.701 -12.526 -5.464 49 HA LYS 10 HA LYS 10 -3.426 -10.574 -7.464 50 HB2 LYS 10 1HB LYS 10 -4.869 -11.974 -8.765 51 HB3 LYS 10 2HB LYS 10 -3.284 -12.736 -8.725 52 HG2 LYS 10 1HG LYS 10 -4.576 -14.554 -8.318 53 HG3 LYS 10 2HG LYS 10 -4.346 -14.000 -6.658 54 HD2 LYS 10 1HD LYS 10 -6.492 -13.085 -6.541 55 HD3 LYS 10 2HD LYS 10 -6.675 -13.055 -8.297 56 HE2 LYS 10 1HE LYS 10 -6.322 -15.669 -6.899 57 HE3 LYS 10 2HE LYS 10 -7.894 -14.873 -6.859 58 HZ1 LYS 10 1HZ LYS 10 -8.252 -15.277 -9.028 59 HZ2 LYS 10 2HZ LYS 10 -7.134 -16.525 -8.796 60 HZ3 LYS 10 3HZ LYS 10 -6.633 -15.056 -9.468 61 HA PRO 11 HA PRO 11 -6.529 -9.752 -4.452 62 HB2 PRO 11 1HB PRO 11 -8.267 -8.343 -5.989 63 HB3 PRO 11 2HB PRO 11 -6.724 -7.684 -5.434 64 HG2 PRO 11 1HG PRO 11 -7.432 -8.867 -8.091 65 HG3 PRO 11 2HG PRO 11 -6.475 -7.419 -7.731 66 HD2 PRO 11 1HD PRO 11 -5.340 -9.791 -8.375 67 HD3 PRO 11 2HD PRO 11 -4.575 -8.637 -7.265 68 H VAL 12 H VAL 12 -8.692 -10.267 -3.872 69 HA VAL 12 HA VAL 12 -9.832 -12.459 -5.469 70 HB VAL 12 HB VAL 12 -11.026 -13.097 -3.378 71 HG11 VAL 12 1HG1 VAL 12 -8.936 -14.186 -4.020 72 HG12 VAL 12 2HG1 VAL 12 -8.021 -12.954 -3.150 73 HG13 VAL 12 3HG1 VAL 12 -9.075 -14.058 -2.267 74 HG21 VAL 12 1HG2 VAL 12 -11.158 -11.631 -1.714 75 HG22 VAL 12 2HG2 VAL 12 -9.428 -11.838 -1.439 76 HG23 VAL 12 3HG2 VAL 12 -10.003 -10.562 -2.511 77 H ALA 13 H ALA 13 -10.558 -9.402 -3.914 78 HA ALA 13 HA ALA 13 -12.969 -9.173 -5.524 79 HB1 ALA 13 1HB ALA 13 -14.098 -10.031 -3.713 80 HB2 ALA 13 2HB ALA 13 -12.974 -9.336 -2.545 81 HB3 ALA 13 3HB ALA 13 -14.148 -8.304 -3.361 82 H THR 14 H THR 14 -13.652 -7.036 -5.849 83 HA THR 14 HA THR 14 -12.023 -4.913 -4.657 84 HB THR 14 HB THR 14 -12.511 -5.078 -7.635 85 HG1 THR 14 1HG THR 14 -10.865 -6.556 -6.414 86 HG21 THR 14 1HG2 THR 14 -11.995 -2.907 -7.568 87 HG22 THR 14 2HG2 THR 14 -10.375 -3.379 -7.053 88 HG23 THR 14 3HG2 THR 14 -11.606 -2.993 -5.851 89 H ALA 15 H ALA 15 -13.209 -3.214 -4.057 90 HA ALA 15 HA ALA 15 -15.812 -2.776 -5.358 91 HB1 ALA 15 1HB ALA 15 -16.733 -2.172 -3.111 92 HB2 ALA 15 2HB ALA 15 -16.342 -3.881 -3.313 93 HB3 ALA 15 3HB ALA 15 -15.261 -2.831 -2.397 94 HA PRO 16 HA PRO 16 -14.080 1.302 -5.747 95 HB2 PRO 16 1HB PRO 16 -16.259 2.434 -6.905 96 HB3 PRO 16 2HB PRO 16 -15.141 1.385 -7.784 97 HG2 PRO 16 1HG PRO 16 -17.799 0.729 -6.573 98 HG3 PRO 16 2HG PRO 16 -17.135 0.245 -8.144 99 HD2 PRO 16 1HD PRO 16 -17.147 -1.405 -5.997 100 HD3 PRO 16 2HD PRO 16 -15.869 -1.450 -7.228 101 H ILE 17 H ILE 17 -13.936 2.773 -4.183 102 HA ILE 17 HA ILE 17 -15.898 2.970 -2.112 103 HB ILE 17 HB ILE 17 -13.465 4.674 -2.657 104 HG12 ILE 17 1HG1 ILE 17 -13.961 2.202 -1.024 105 HG13 ILE 17 2HG1 ILE 17 -12.661 2.531 -2.165 106 HG21 ILE 17 1HG2 ILE 17 -13.734 5.666 -0.553 107 HG22 ILE 17 2HG2 ILE 17 -15.348 5.688 -1.261 108 HG23 ILE 17 3HG2 ILE 17 -14.934 4.477 -0.048 109 HD11 ILE 17 1HD1 ILE 17 -12.965 3.905 0.492 110 HD12 ILE 17 2HD1 ILE 17 -11.949 2.491 0.205 111 HD13 ILE 17 3HD1 ILE 17 -11.599 4.011 -0.618 112 HA PRO 18 HA PRO 18 -18.473 6.077 -3.897 113 HB2 PRO 18 1HB PRO 18 -19.693 6.916 -1.622 114 HB3 PRO 18 2HB PRO 18 -20.075 5.379 -2.406 115 HG2 PRO 18 1HG PRO 18 -18.305 5.915 -0.052 116 HG3 PRO 18 2HG PRO 18 -19.492 4.619 -0.287 117 HD2 PRO 18 1HD PRO 18 -16.832 4.238 -0.623 118 HD3 PRO 18 2HD PRO 18 -18.050 3.360 -1.571 119 H GLY 19 H GLY 19 -18.120 8.141 -4.451 120 HA2 GLY 19 1HA GLY 19 -17.651 10.411 -4.121 121 HA3 GLY 19 2HA GLY 19 -17.073 10.034 -2.505 122 H THR 20 H THR 20 -15.122 8.228 -2.884 123 HA THR 20 HA THR 20 -13.112 9.802 -4.315 124 HB THR 20 HB THR 20 -11.510 8.977 -2.895 125 HG1 THR 20 1HG THR 20 -13.148 6.662 -2.644 126 HG21 THR 20 1HG2 THR 20 -14.110 8.803 -1.386 127 HG22 THR 20 2HG2 THR 20 -12.957 10.137 -1.427 128 HG23 THR 20 3HG2 THR 20 -12.542 8.638 -0.596 129 HA PRO 21 HA PRO 21 -12.744 6.899 -7.601 130 HB2 PRO 21 1HB PRO 21 -10.171 7.368 -8.332 131 HB3 PRO 21 2HB PRO 21 -11.489 8.495 -8.677 132 HG2 PRO 21 1HG PRO 21 -9.459 8.570 -6.477 133 HG3 PRO 21 2HG PRO 21 -10.058 9.894 -7.493 134 HD2 PRO 21 1HD PRO 21 -10.947 9.477 -4.970 135 HD3 PRO 21 2HD PRO 21 -11.981 10.148 -6.248 136 H TRP 22 H TRP 22 -11.174 6.576 -4.665 137 HA TRP 22 HA TRP 22 -9.373 4.455 -5.263 138 HB2 TRP 22 1HB TRP 22 -10.611 5.445 -2.697 139 HB3 TRP 22 2HB TRP 22 -9.517 4.065 -2.741 140 HD1 TRP 22 HD TRP 22 -9.565 7.859 -3.014 141 HE1 TRP 22 1HE TRP 22 -7.144 8.731 -2.964 142 HE3 TRP 22 3HE TRP 22 -7.088 3.401 -3.376 143 HZ2 TRP 22 2HZ TRP 22 -4.530 7.670 -3.066 144 HZ3 TRP 22 3HZ TRP 22 -4.628 3.417 -3.394 145 HH2 TRP 22 HH TRP 22 -3.377 5.509 -3.242 146 H CYS 23 H CYS 23 -9.593 2.232 -4.838 147 HA CYS 23 HA CYS 23 -12.340 1.262 -4.457 148 HB2 CYS 23 1HB CYS 23 -10.388 0.221 -6.522 149 HB3 CYS 23 2HB CYS 23 -11.984 -0.443 -6.192 150 HG CYS 23 HG CYS 23 -11.911 2.822 -7.004 151 H VAL 24 H VAL 24 -12.366 0.071 -2.678 152 HA VAL 24 HA VAL 24 -10.070 -0.961 -1.413 153 HB VAL 24 HB VAL 24 -12.933 -1.830 -0.997 154 HG11 VAL 24 1HG1 VAL 24 -11.807 -3.373 0.232 155 HG12 VAL 24 2HG1 VAL 24 -10.384 -2.347 0.421 156 HG13 VAL 24 3HG1 VAL 24 -11.816 -2.060 1.409 157 HG21 VAL 24 1HG2 VAL 24 -13.184 0.356 -0.480 158 HG22 VAL 24 2HG2 VAL 24 -12.438 -0.144 1.038 159 HG23 VAL 24 3HG2 VAL 24 -11.458 0.606 -0.222 160 H VAL 25 H VAL 25 -8.874 -2.636 -2.002 161 HA VAL 25 HA VAL 25 -10.169 -4.862 -3.437 162 HB VAL 25 HB VAL 25 -7.267 -4.033 -3.580 163 HG11 VAL 25 1HG1 VAL 25 -6.949 -5.720 -5.162 164 HG12 VAL 25 2HG1 VAL 25 -7.944 -6.488 -3.923 165 HG13 VAL 25 3HG1 VAL 25 -8.680 -5.928 -5.426 166 HG21 VAL 25 1HG2 VAL 25 -9.575 -2.996 -4.919 167 HG22 VAL 25 2HG2 VAL 25 -7.888 -2.506 -5.070 168 HG23 VAL 25 3HG2 VAL 25 -8.525 -3.798 -6.087 169 H TRP 26 H TRP 26 -9.913 -6.906 -2.698 170 HA TRP 26 HA TRP 26 -8.381 -7.224 -0.203 171 HB2 TRP 26 1HB TRP 26 -10.842 -8.653 -1.215 172 HB3 TRP 26 2HB TRP 26 -9.908 -9.211 0.170 173 HD1 TRP 26 HD TRP 26 -10.222 -7.939 2.451 174 HE1 TRP 26 1HE TRP 26 -11.868 -6.128 3.250 175 HE3 TRP 26 3HE TRP 26 -12.148 -6.539 -2.073 176 HZ2 TRP 26 2HZ TRP 26 -13.736 -4.344 2.113 177 HZ3 TRP 26 3HZ TRP 26 -13.861 -4.773 -2.130 178 HH2 TRP 26 HH TRP 26 -14.637 -3.700 -0.079 179 H THR 27 H THR 27 -7.489 -9.425 0.167 180 HA THR 27 HA THR 27 -6.679 -10.735 -2.342 181 HB THR 27 HB THR 27 -4.427 -11.124 -1.329 182 HG1 THR 27 1HG THR 27 -4.136 -10.541 0.677 183 HG21 THR 27 1HG2 THR 27 -5.122 -8.198 -1.597 184 HG22 THR 27 2HG2 THR 27 -4.887 -9.293 -2.960 185 HG23 THR 27 3HG2 THR 27 -3.549 -8.948 -1.864 186 H GLY 28 H GLY 28 -5.267 -12.820 -1.506 187 HA2 GLY 28 1HA GLY 28 -7.265 -14.450 -0.188 188 HA3 GLY 28 2HA GLY 28 -5.765 -15.013 -0.910 189 H ASP 29 H ASP 29 -4.435 -12.765 0.742 190 HA ASP 29 HA ASP 29 -3.953 -14.456 3.062 191 HB2 ASP 29 1HB ASP 29 -2.185 -13.187 1.566 192 HB3 ASP 29 2HB ASP 29 -2.558 -11.846 2.646 193 H GLU 30 H GLU 30 -6.490 -13.335 3.071 194 HA GLU 30 HA GLU 30 -7.919 -11.952 4.218 195 HB2 GLU 30 1HB GLU 30 -5.910 -12.873 6.257 196 HB3 GLU 30 2HB GLU 30 -7.275 -11.866 6.717 197 HG2 GLU 30 1HG GLU 30 -7.801 -14.325 5.136 198 HG3 GLU 30 2HG GLU 30 -7.392 -14.487 6.842 199 H ARG 31 H ARG 31 -6.067 -10.455 2.747 200 HA ARG 31 HA ARG 31 -5.684 -8.134 4.520 201 HB2 ARG 31 1HB ARG 31 -3.848 -9.371 2.534 202 HB3 ARG 31 2HB ARG 31 -3.860 -7.616 2.638 203 HG2 ARG 31 1HG ARG 31 -3.622 -9.176 5.155 204 HG3 ARG 31 2HG ARG 31 -2.220 -9.071 4.088 205 HD2 ARG 31 1HD ARG 31 -1.974 -6.817 4.405 206 HD3 ARG 31 2HD ARG 31 -3.688 -6.568 4.738 207 HE ARG 31 HE ARG 31 -2.855 -8.016 6.863 208 HH11 ARG 31 2HH1 ARG 31 -1.692 -5.100 5.357 209 HH12 ARG 31 1HH1 ARG 31 -1.063 -4.436 6.828 210 HH21 ARG 31 2HH2 ARG 31 -2.032 -7.152 8.807 211 HH22 ARG 31 1HH2 ARG 31 -1.256 -5.604 8.790 212 H VAL 32 H VAL 32 -5.654 -6.037 3.331 213 HA VAL 32 HA VAL 32 -7.048 -6.005 0.781 214 HB VAL 32 HB VAL 32 -8.902 -6.101 2.363 215 HG11 VAL 32 1HG1 VAL 32 -7.231 -4.289 3.860 216 HG12 VAL 32 2HG1 VAL 32 -8.855 -3.630 3.653 217 HG13 VAL 32 3HG1 VAL 32 -8.634 -5.219 4.387 218 HG21 VAL 32 1HG2 VAL 32 -9.709 -3.585 1.840 219 HG22 VAL 32 2HG2 VAL 32 -8.373 -3.725 0.697 220 HG23 VAL 32 3HG2 VAL 32 -9.706 -4.879 0.641 221 H PHE 33 H PHE 33 -6.547 -4.254 -0.427 222 HA PHE 33 HA PHE 33 -5.132 -2.036 0.892 223 HB2 PHE 33 1HB PHE 33 -3.593 -1.916 -1.024 224 HB3 PHE 33 2HB PHE 33 -3.481 -3.471 -0.206 225 HD1 PHE 33 1HD PHE 33 -4.824 -5.416 -1.208 226 HD2 PHE 33 2HD PHE 33 -3.950 -1.820 -3.311 227 HE1 PHE 33 1HE PHE 33 -5.229 -6.570 -3.343 228 HE2 PHE 33 2HE PHE 33 -4.355 -2.967 -5.449 229 HZ PHE 33 HZ PHE 33 -4.995 -5.345 -5.467 230 H PHE 34 H PHE 34 -4.946 -0.105 -0.644 231 HA PHE 34 HA PHE 34 -7.566 0.275 -1.919 232 HB2 PHE 34 1HB PHE 34 -5.644 2.449 -1.090 233 HB3 PHE 34 2HB PHE 34 -7.355 2.608 -1.476 234 HD1 PHE 34 2HD PHE 34 -5.030 1.051 0.967 235 HD2 PHE 34 1HD PHE 34 -8.947 2.533 0.209 236 HE1 PHE 34 2HE PHE 34 -5.586 0.789 3.349 237 HE2 PHE 34 1HE PHE 34 -9.509 2.274 2.590 238 HZ PHE 34 HZ PHE 34 -7.828 1.400 4.164 239 H TYR 35 H TYR 35 -7.703 0.549 -4.049 240 HA TYR 35 HA TYR 35 -5.228 1.150 -5.534 241 HB2 TYR 35 1HB TYR 35 -5.771 -1.077 -6.088 242 HB3 TYR 35 2HB TYR 35 -7.493 -0.727 -6.178 243 HD1 TYR 35 1HD TYR 35 -4.305 0.335 -7.822 244 HD2 TYR 35 2HD TYR 35 -8.437 -0.571 -8.275 245 HE1 TYR 35 1HE TYR 35 -4.105 0.664 -10.251 246 HE2 TYR 35 2HE TYR 35 -8.248 -0.245 -10.706 247 HH TYR 35 HH TYR 35 -5.159 0.676 -12.201 248 H ASN 36 H ASN 36 -5.309 2.647 -7.163 249 HA ASN 36 HA ASN 36 -7.861 4.087 -7.479 250 HB2 ASN 36 1HB ASN 36 -6.053 5.333 -6.243 251 HB3 ASN 36 2HB ASN 36 -5.101 5.293 -7.724 252 HD21 ASN 36 1HD2 ASN 36 -7.032 7.181 -5.940 253 HD22 ASN 36 2HD2 ASN 36 -7.677 8.214 -7.166 254 HA PRO 37 HA PRO 37 -7.066 2.522 -11.662 255 HB2 PRO 37 1HB PRO 37 -9.645 2.780 -12.470 256 HB3 PRO 37 2HB PRO 37 -9.066 1.397 -11.533 257 HG2 PRO 37 1HG PRO 37 -10.528 3.838 -10.602 258 HG3 PRO 37 2HG PRO 37 -10.774 2.143 -10.143 259 HD2 PRO 37 1HD PRO 37 -9.408 3.891 -8.589 260 HD3 PRO 37 2HD PRO 37 -9.014 2.161 -8.654 261 H THR 38 H THR 38 -7.837 5.533 -10.424 262 HA THR 38 HA THR 38 -8.180 6.808 -13.031 263 HB THR 38 HB THR 38 -8.108 8.194 -10.353 264 HG1 THR 38 1HG THR 38 -10.520 7.516 -11.633 265 HG21 THR 38 1HG2 THR 38 -9.257 9.963 -11.459 266 HG22 THR 38 2HG2 THR 38 -9.523 8.976 -12.897 267 HG23 THR 38 3HG2 THR 38 -7.896 9.519 -12.489 268 H THR 39 H THR 39 -5.872 6.541 -10.403 269 HA THR 39 HA THR 39 -3.948 8.093 -12.011 270 HB THR 39 HB THR 39 -2.831 8.777 -9.958 271 HG1 THR 39 1HG THR 39 -4.402 8.266 -8.012 272 HG21 THR 39 1HG2 THR 39 -4.310 10.450 -9.358 273 HG22 THR 39 2HG2 THR 39 -5.711 9.380 -9.424 274 HG23 THR 39 3HG2 THR 39 -4.963 9.949 -10.917 275 H ARG 40 H ARG 40 -4.639 5.120 -11.728 276 HA ARG 40 HA ARG 40 -3.575 3.104 -11.477 277 HB2 ARG 40 1HB ARG 40 -1.331 4.740 -12.673 278 HB3 ARG 40 2HB ARG 40 -1.440 2.985 -12.688 279 HG2 ARG 40 1HG ARG 40 -3.746 3.484 -13.865 280 HG3 ARG 40 2HG ARG 40 -2.934 4.995 -14.279 281 HD2 ARG 40 1HD ARG 40 -1.123 3.779 -15.320 282 HD3 ARG 40 2HD ARG 40 -1.826 2.243 -14.814 283 HE ARG 40 HE ARG 40 -3.738 3.574 -16.333 284 HH11 ARG 40 2HH1 ARG 40 -0.568 2.198 -16.756 285 HH12 ARG 40 1HH1 ARG 40 -0.815 1.813 -18.427 286 HH21 ARG 40 2HH2 ARG 40 -4.076 3.072 -18.532 287 HH22 ARG 40 1HH2 ARG 40 -2.810 2.312 -19.436 288 H LEU 41 H LEU 41 -3.506 4.648 -9.099 289 HA LEU 41 HA LEU 41 -0.828 4.115 -8.020 290 HB2 LEU 41 1HB LEU 41 -2.040 6.381 -7.798 291 HB3 LEU 41 2HB LEU 41 -3.015 5.569 -6.575 292 HG LEU 41 HG LEU 41 -1.100 6.948 -5.709 293 HD11 LEU 41 1HD1 LEU 41 -1.036 5.642 -3.889 294 HD12 LEU 41 2HD1 LEU 41 -0.472 4.236 -4.791 295 HD13 LEU 41 3HD1 LEU 41 -2.188 4.642 -4.773 296 HD21 LEU 41 1HD2 LEU 41 0.661 4.681 -6.570 297 HD22 LEU 41 2HD2 LEU 41 1.114 6.280 -5.980 298 HD23 LEU 41 3HD2 LEU 41 0.430 6.097 -7.596 299 H SER 42 H SER 42 -0.482 2.567 -6.542 300 HA SER 42 HA SER 42 -2.790 1.333 -5.213 301 HB2 SER 42 1HB SER 42 -0.579 -0.423 -6.216 302 HB3 SER 42 2HB SER 42 -2.257 -0.832 -5.860 303 HG SER 42 HG SER 42 -1.737 0.982 -7.924 304 H MET 43 H MET 43 -2.423 1.773 -3.135 305 HA MET 43 HA MET 43 0.312 1.502 -2.094 306 HB2 MET 43 1HB MET 43 -2.004 2.798 -0.668 307 HB3 MET 43 2HB MET 43 -0.287 2.971 -0.329 308 HG2 MET 43 1HG MET 43 -0.278 3.917 -2.802 309 HG3 MET 43 2HG MET 43 -1.957 4.271 -2.400 310 HE1 MET 43 1HE MET 43 -1.372 6.276 0.978 311 HE2 MET 43 2HE MET 43 -2.270 4.924 0.288 312 HE3 MET 43 3HE MET 43 -0.719 4.641 1.079 313 H TRP 44 H TRP 44 0.319 0.811 0.308 314 HA TRP 44 HA TRP 44 -1.275 -1.647 0.491 315 HB2 TRP 44 1HB TRP 44 1.432 -0.848 1.433 316 HB3 TRP 44 2HB TRP 44 0.534 -1.986 2.434 317 HD1 TRP 44 HD TRP 44 2.854 -1.927 -0.396 318 HE1 TRP 44 1HE TRP 44 2.882 -4.192 -1.617 319 HE3 TRP 44 3HE TRP 44 -1.349 -4.003 1.645 320 HZ2 TRP 44 2HZ TRP 44 1.328 -6.547 -1.705 321 HZ3 TRP 44 3HZ TRP 44 -2.009 -6.265 0.938 322 HH2 TRP 44 HH TRP 44 -0.697 -7.509 -0.703 323 H ASP 45 H ASP 45 -1.075 1.462 1.761 324 HA ASP 45 HA ASP 45 -2.676 0.657 4.099 325 HB2 ASP 45 1HB ASP 45 -0.477 2.689 3.879 326 HB3 ASP 45 2HB ASP 45 -1.743 2.880 5.089 327 H ARG 46 H ARG 46 -3.908 2.685 4.967 328 HA ARG 46 HA ARG 46 -5.555 3.600 2.780 329 HB2 ARG 46 1HB ARG 46 -6.420 2.843 5.042 330 HB3 ARG 46 2HB ARG 46 -5.801 4.355 5.691 331 HG2 ARG 46 1HG ARG 46 -7.597 4.498 3.336 332 HG3 ARG 46 2HG ARG 46 -8.306 4.084 4.898 333 HD2 ARG 46 1HD ARG 46 -6.475 6.438 4.607 334 HD3 ARG 46 2HD ARG 46 -8.185 6.567 4.201 335 HE ARG 46 HE ARG 46 -7.032 6.306 6.841 336 HH11 ARG 46 2HH1 ARG 46 -9.896 6.077 4.875 337 HH12 ARG 46 1HH1 ARG 46 -10.985 6.268 6.210 338 HH21 ARG 46 2HH2 ARG 46 -8.455 6.558 8.606 339 HH22 ARG 46 1HH2 ARG 46 -10.164 6.542 8.331 340 HA PRO 47 HA PRO 47 -3.063 7.313 2.395 341 HB2 PRO 47 1HB PRO 47 -4.340 8.223 0.179 342 HB3 PRO 47 2HB PRO 47 -3.113 6.951 0.126 343 HG2 PRO 47 1HG PRO 47 -6.097 6.706 0.099 344 HG3 PRO 47 2HG PRO 47 -4.894 5.837 -0.872 345 HD2 PRO 47 1HD PRO 47 -6.069 4.746 1.310 346 HD3 PRO 47 2HD PRO 47 -4.404 4.360 0.828 347 H ASP 48 H ASP 48 -3.488 9.603 2.456 348 HA ASP 48 HA ASP 48 -5.467 10.356 4.276 349 HB2 ASP 48 1HB ASP 48 -4.916 12.730 3.229 350 HB3 ASP 48 2HB ASP 48 -3.751 11.881 4.240 351 H ASP 49 H ASP 49 -5.368 10.690 0.746 352 HA ASP 49 HA ASP 49 -7.532 12.169 0.155 353 HB2 ASP 49 1HB ASP 49 -6.589 9.600 -1.099 354 HB3 ASP 49 2HB ASP 49 -7.959 10.491 -1.757 355 H LEU 50 H LEU 50 -7.576 9.071 1.710 356 HA LEU 50 HA LEU 50 -10.508 8.981 1.545 357 HB2 LEU 50 1HB LEU 50 -8.473 6.877 2.248 358 HB3 LEU 50 2HB LEU 50 -10.211 6.649 2.436 359 HG LEU 50 HG LEU 50 -8.809 7.185 -0.182 360 HD11 LEU 50 1HD1 LEU 50 -9.616 4.758 -0.564 361 HD12 LEU 50 2HD1 LEU 50 -9.639 4.664 1.196 362 HD13 LEU 50 3HD1 LEU 50 -8.136 5.037 0.352 363 HD21 LEU 50 1HD2 LEU 50 -11.547 7.348 0.616 364 HD22 LEU 50 2HD2 LEU 50 -11.348 6.003 -0.508 365 HD23 LEU 50 3HD2 LEU 50 -10.834 7.626 -0.973 366 H ILE 51 H ILE 51 -7.812 9.237 3.742 367 HA ILE 51 HA ILE 51 -8.911 8.648 6.181 368 HB ILE 51 HB ILE 51 -7.015 10.880 5.462 369 HG12 ILE 51 1HG1 ILE 51 -6.602 8.150 6.701 370 HG13 ILE 51 2HG1 ILE 51 -6.180 8.616 5.056 371 HG21 ILE 51 1HG2 ILE 51 -8.433 10.479 7.905 372 HG22 ILE 51 2HG2 ILE 51 -6.721 10.159 8.173 373 HG23 ILE 51 3HG2 ILE 51 -7.234 11.709 7.508 374 HD11 ILE 51 1HD1 ILE 51 -4.469 8.613 7.148 375 HD12 ILE 51 2HD1 ILE 51 -4.276 9.598 5.697 376 HD13 ILE 51 3HD1 ILE 51 -5.000 10.294 7.146 377 H GLY 52 H GLY 52 -10.717 9.293 7.140 378 HA2 GLY 52 1HA GLY 52 -11.776 11.259 8.224 379 HA3 GLY 52 2HA GLY 52 -11.629 12.065 6.669 380 H ARG 53 H ARG 53 -12.390 9.686 5.150 381 HA ARG 53 HA ARG 53 -15.243 10.046 5.311 382 HB2 ARG 53 1HB ARG 53 -13.560 8.297 3.508 383 HB3 ARG 53 2HB ARG 53 -15.292 8.544 3.338 384 HG2 ARG 53 1HG ARG 53 -14.696 11.046 3.181 385 HG3 ARG 53 2HG ARG 53 -13.059 10.472 2.858 386 HD2 ARG 53 1HD ARG 53 -13.626 9.575 0.834 387 HD3 ARG 53 2HD ARG 53 -15.290 9.256 1.321 388 HE ARG 53 HE ARG 53 -14.247 11.688 0.158 389 HH11 ARG 53 2HH1 ARG 53 -16.844 10.192 1.929 390 HH12 ARG 53 1HH1 ARG 53 -18.009 11.398 1.494 391 HH21 ARG 53 2HH2 ARG 53 -15.772 13.282 -0.422 392 HH22 ARG 53 1HH2 ARG 53 -17.398 13.155 0.157 393 H ALA 54 H ALA 54 -16.789 8.467 5.742 394 HA ALA 54 HA ALA 54 -15.910 6.402 7.582 395 HB1 ALA 54 1HB ALA 54 -17.984 8.011 7.766 396 HB2 ALA 54 2HB ALA 54 -18.769 6.738 6.831 397 HB3 ALA 54 3HB ALA 54 -18.048 6.365 8.396 398 H ASP 55 H ASP 55 -17.484 6.654 4.433 399 HA ASP 55 HA ASP 55 -18.304 4.083 3.983 400 HB2 ASP 55 1HB ASP 55 -17.525 4.568 1.535 401 HB3 ASP 55 2HB ASP 55 -18.804 5.545 2.251 402 H VAL 56 H VAL 56 -15.067 5.352 3.177 403 HA VAL 56 HA VAL 56 -13.891 3.015 2.313 404 HB VAL 56 HB VAL 56 -12.724 5.112 2.113 405 HG11 VAL 56 1HG1 VAL 56 -12.329 5.098 5.099 406 HG12 VAL 56 2HG1 VAL 56 -11.867 6.360 3.955 407 HG13 VAL 56 3HG1 VAL 56 -13.572 6.044 4.280 408 HG21 VAL 56 1HG2 VAL 56 -11.172 3.403 2.002 409 HG22 VAL 56 2HG2 VAL 56 -10.502 4.420 3.279 410 HG23 VAL 56 3HG2 VAL 56 -11.390 2.953 3.694 411 H ASP 57 H ASP 57 -14.124 4.234 5.638 412 HA ASP 57 HA ASP 57 -12.670 2.144 6.848 413 HB2 ASP 57 1HB ASP 57 -14.651 4.166 7.845 414 HB3 ASP 57 2HB ASP 57 -14.089 2.882 8.912 415 H LYS 58 H LYS 58 -16.109 2.554 6.157 416 HA LYS 58 HA LYS 58 -16.978 0.220 7.509 417 HB2 LYS 58 1HB LYS 58 -18.623 1.857 7.054 418 HB3 LYS 58 2HB LYS 58 -18.193 1.931 5.350 419 HG2 LYS 58 1HG LYS 58 -18.933 -0.615 5.445 420 HG3 LYS 58 2HG LYS 58 -19.891 -0.014 6.801 421 HD2 LYS 58 1HD LYS 58 -19.940 1.585 4.308 422 HD3 LYS 58 2HD LYS 58 -20.765 0.025 4.273 423 HE2 LYS 58 1HE LYS 58 -22.369 1.659 4.920 424 HE3 LYS 58 2HE LYS 58 -21.970 0.721 6.358 425 HZ1 LYS 58 1HZ LYS 58 -20.186 2.772 6.408 426 HZ2 LYS 58 2HZ LYS 58 -21.609 2.680 7.317 427 HZ3 LYS 58 3HZ LYS 58 -21.599 3.515 5.846 428 H ILE 59 H ILE 59 -16.740 0.827 3.998 429 HA ILE 59 HA ILE 59 -17.235 -1.582 2.941 430 HB ILE 59 HB ILE 59 -14.907 0.183 2.180 431 HG12 ILE 59 1HG1 ILE 59 -17.672 -0.034 0.973 432 HG13 ILE 59 2HG1 ILE 59 -17.188 1.210 2.120 433 HG21 ILE 59 1HG2 ILE 59 -15.886 -1.238 -0.047 434 HG22 ILE 59 2HG2 ILE 59 -14.304 -1.373 0.719 435 HG23 ILE 59 3HG2 ILE 59 -15.627 -2.416 1.240 436 HD11 ILE 59 1HD1 ILE 59 -15.294 1.638 0.356 437 HD12 ILE 59 2HD1 ILE 59 -16.447 0.865 -0.732 438 HD13 ILE 59 3HD1 ILE 59 -16.907 2.319 0.152 439 H ILE 60 H ILE 60 -14.249 -0.708 4.608 440 HA ILE 60 HA ILE 60 -12.947 -3.202 4.097 441 HB ILE 60 HB ILE 60 -12.353 -1.041 6.119 442 HG12 ILE 60 1HG1 ILE 60 -10.822 -1.739 3.616 443 HG13 ILE 60 2HG1 ILE 60 -12.139 -0.571 3.614 444 HG21 ILE 60 1HG2 ILE 60 -11.531 -3.272 6.824 445 HG22 ILE 60 2HG2 ILE 60 -10.610 -3.367 5.324 446 HG23 ILE 60 3HG2 ILE 60 -10.237 -2.116 6.510 447 HD11 ILE 60 1HD1 ILE 60 -10.908 1.010 4.631 448 HD12 ILE 60 2HD1 ILE 60 -10.053 -0.151 5.646 449 HD13 ILE 60 3HD1 ILE 60 -9.566 0.080 3.967 450 H GLN 61 H GLN 61 -14.607 -1.803 6.911 451 HA GLN 61 HA GLN 61 -14.211 -3.733 8.798 452 HB2 GLN 61 1HB GLN 61 -16.632 -2.062 8.179 453 HB3 GLN 61 2HB GLN 61 -16.622 -3.181 9.535 454 HG2 GLN 61 1HG GLN 61 -14.364 -1.906 10.082 455 HG3 GLN 61 2HG GLN 61 -15.165 -0.631 9.164 456 HE21 GLN 61 1HE2 GLN 61 -15.607 -2.848 11.873 457 HE22 GLN 61 2HE2 GLN 61 -16.645 -1.812 12.786 458 H GLU 62 H GLU 62 -17.081 -3.696 6.675 459 HA GLU 62 HA GLU 62 -17.142 -6.634 6.888 460 HB2 GLU 62 1HB GLU 62 -19.096 -5.786 7.938 461 HB3 GLU 62 2HB GLU 62 -19.376 -4.627 6.647 462 HG2 GLU 62 1HG GLU 62 -20.024 -6.350 5.137 463 HG3 GLU 62 2HG GLU 62 -19.520 -7.605 6.267 464 HA PRO 63 HA PRO 63 -16.196 -5.806 2.480 465 HB2 PRO 63 1HB PRO 63 -14.758 -8.085 2.149 466 HB3 PRO 63 2HB PRO 63 -14.064 -6.598 2.807 467 HG2 PRO 63 1HG PRO 63 -15.049 -9.030 4.249 468 HG3 PRO 63 2HG PRO 63 -13.586 -8.072 4.541 469 HD2 PRO 63 1HD PRO 63 -15.826 -7.804 6.039 470 HD3 PRO 63 2HD PRO 63 -14.731 -6.446 5.707 471 HA PRO 64 HA PRO 64 -19.371 -8.338 0.776 472 HB2 PRO 64 1HB PRO 64 -18.570 -8.440 -1.816 473 HB3 PRO 64 2HB PRO 64 -19.264 -6.990 -1.082 474 HG2 PRO 64 1HG PRO 64 -16.392 -7.674 -1.575 475 HG3 PRO 64 2HG PRO 64 -17.235 -6.135 -1.828 476 HD2 PRO 64 1HD PRO 64 -15.682 -6.606 0.340 477 HD3 PRO 64 2HD PRO 64 -17.113 -5.557 0.400 478 H HIS 65 H HIS 65 -16.124 -9.207 -0.427 479 HA HIS 65 HA HIS 65 -16.553 -11.761 -1.277 480 HB2 HIS 65 1HB HIS 65 -14.245 -12.161 -1.019 481 HB3 HIS 65 2HB HIS 65 -14.368 -10.418 -1.241 482 HD1 HIS 65 1HD HIS 65 -13.755 -8.922 0.760 483 HD2 HIS 65 2HD HIS 65 -13.422 -12.990 1.536 484 HE1 HIS 65 1HE HIS 65 -12.499 -9.091 2.932 485 H LYS 66 H LYS 66 -16.757 -10.594 1.945 486 HA LYS 66 HA LYS 66 -16.929 -13.353 2.966 487 HB2 LYS 66 1HB LYS 66 -15.974 -10.802 4.192 488 HB3 LYS 66 2HB LYS 66 -16.702 -12.015 5.236 489 HG2 LYS 66 1HG LYS 66 -14.573 -12.883 3.357 490 HG3 LYS 66 2HG LYS 66 -14.108 -11.949 4.781 491 HD2 LYS 66 1HD LYS 66 -15.952 -14.273 5.104 492 HD3 LYS 66 2HD LYS 66 -14.227 -14.570 4.874 493 HE2 LYS 66 1HE LYS 66 -13.801 -12.984 6.770 494 HE3 LYS 66 2HE LYS 66 -15.540 -12.959 7.056 495 HZ1 LYS 66 1HZ LYS 66 -13.666 -15.225 7.352 496 HZ2 LYS 66 2HZ LYS 66 -15.333 -15.472 7.212 497 HZ3 LYS 66 3HZ LYS 66 -14.718 -14.570 8.504 498 H LYS 67 H LYS 67 -19.114 -13.569 2.314 499 HA LYS 67 HA LYS 67 -20.997 -12.857 4.291 500 HB2 LYS 67 1HB LYS 67 -22.277 -11.190 3.315 501 HB3 LYS 67 2HB LYS 67 -20.646 -10.688 2.890 502 HG2 LYS 67 1HG LYS 67 -21.018 -11.947 0.700 503 HG3 LYS 67 2HG LYS 67 -22.726 -11.959 1.147 504 HD2 LYS 67 1HD LYS 67 -21.261 -9.374 1.270 505 HD3 LYS 67 2HD LYS 67 -21.682 -10.017 -0.319 506 HE2 LYS 67 1HE LYS 67 -23.509 -8.684 0.226 507 HE3 LYS 67 2HE LYS 67 -24.044 -10.306 0.661 508 HZ1 LYS 67 1HZ LYS 67 -22.718 -8.965 2.816 509 HZ2 LYS 67 2HZ LYS 67 -24.225 -9.733 2.789 510 HZ3 LYS 67 3HZ LYS 67 -24.087 -8.125 2.285 511 H SER 68 H SER 68 -22.509 -14.390 4.289 512 HA SER 68 HA SER 68 -22.537 -16.509 2.496 513 HB2 SER 68 1HB SER 68 -24.691 -17.141 3.532 514 HB3 SER 68 2HB SER 68 -23.494 -16.675 4.741 515 HG SER 68 HG SER 68 -24.749 -15.103 5.328 516 H GLY 69 H GLY 69 -23.280 -16.736 0.494 517 HA2 GLY 69 1HA GLY 69 -24.433 -16.360 -1.455 518 HA3 GLY 69 2HA GLY 69 -25.739 -15.758 -0.445 519 HA PRO 70 HA PRO 70 -22.860 -12.038 -1.699 520 HB2 PRO 70 1HB PRO 70 -21.429 -12.457 -3.968 521 HB3 PRO 70 2HB PRO 70 -20.795 -12.802 -2.355 522 HG2 PRO 70 1HG PRO 70 -21.981 -14.678 -4.364 523 HG3 PRO 70 2HG PRO 70 -20.547 -14.892 -3.343 524 HD2 PRO 70 1HD PRO 70 -22.943 -16.001 -2.742 525 HD3 PRO 70 2HD PRO 70 -21.796 -15.473 -1.494 526 H SER 71 H SER 71 -23.872 -10.450 -2.783 527 HA SER 71 HA SER 71 -26.010 -11.077 -4.560 528 HB2 SER 71 1HB SER 71 -24.800 -8.499 -3.580 529 HB3 SER 71 2HB SER 71 -26.071 -8.508 -4.802 530 HG SER 71 HG SER 71 -26.500 -10.031 -2.514 531 H SER 72 H SER 72 -26.198 -10.762 -6.747 532 HA SER 72 HA SER 72 -23.728 -10.790 -8.241 533 HB2 SER 72 1HB SER 72 -25.636 -12.282 -8.814 534 HB3 SER 72 2HB SER 72 -26.577 -10.860 -9.263 535 HG SER 72 HG SER 72 -24.776 -10.414 -10.760 536 H GLY 73 H GLY 73 -22.869 -8.721 -8.031 537 HA2 GLY 73 1HA GLY 73 -24.485 -6.513 -9.121 538 HA3 GLY 73 2HA GLY 73 -23.081 -6.325 -8.081 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.908 -8.107 -8.130 2 HA2 GLY 1 1HA GLY 1 16.110 -8.165 -11.027 3 HA3 GLY 1 2HA GLY 1 16.825 -9.541 -10.201 4 H SER 2 H SER 2 14.909 -10.172 -11.893 5 HA SER 2 HA SER 2 12.272 -10.090 -10.826 6 HB2 SER 2 1HB SER 2 12.530 -10.357 -13.198 7 HB3 SER 2 2HB SER 2 13.531 -11.793 -12.984 8 HG SER 2 HG SER 2 11.662 -12.801 -12.044 9 H SER 3 H SER 3 12.664 -10.821 -8.651 10 HA SER 3 HA SER 3 12.464 -13.723 -8.444 11 HB2 SER 3 1HB SER 3 14.904 -12.888 -8.107 12 HB3 SER 3 2HB SER 3 14.315 -12.290 -6.556 13 HG SER 3 HG SER 3 14.008 -14.306 -5.871 14 H GLY 4 H GLY 4 11.622 -14.440 -6.372 15 HA2 GLY 4 1HA GLY 4 10.700 -13.863 -4.199 16 HA3 GLY 4 2HA GLY 4 10.257 -12.299 -4.868 17 H SER 5 H SER 5 8.095 -12.543 -4.247 18 HA SER 5 HA SER 5 6.587 -14.765 -5.386 19 HB2 SER 5 1HB SER 5 4.697 -13.855 -4.065 20 HB3 SER 5 2HB SER 5 6.115 -14.176 -3.066 21 HG SER 5 HG SER 5 4.948 -11.752 -3.784 22 H SER 6 H SER 6 6.567 -14.299 -7.578 23 HA SER 6 HA SER 6 4.863 -12.026 -8.331 24 HB2 SER 6 1HB SER 6 7.277 -11.519 -8.794 25 HB3 SER 6 2HB SER 6 7.302 -12.894 -9.899 26 HG SER 6 HG SER 6 5.517 -10.699 -10.122 27 H GLY 7 H GLY 7 3.082 -13.357 -8.617 28 HA2 GLY 7 1HA GLY 7 2.543 -14.394 -11.088 29 HA3 GLY 7 2HA GLY 7 3.218 -15.750 -10.198 30 H LYS 8 H LYS 8 2.204 -15.887 -7.865 31 HA LYS 8 HA LYS 8 -0.595 -16.362 -8.284 32 HB2 LYS 8 1HB LYS 8 1.093 -16.623 -5.788 33 HB3 LYS 8 2HB LYS 8 -0.558 -17.203 -5.958 34 HG2 LYS 8 1HG LYS 8 0.075 -18.856 -7.513 35 HG3 LYS 8 2HG LYS 8 1.669 -18.133 -7.745 36 HD2 LYS 8 1HD LYS 8 0.797 -19.141 -5.057 37 HD3 LYS 8 2HD LYS 8 1.477 -20.234 -6.266 38 HE2 LYS 8 1HE LYS 8 3.407 -18.550 -6.411 39 HE3 LYS 8 2HE LYS 8 2.772 -17.893 -4.903 40 HZ1 LYS 8 1HZ LYS 8 2.927 -20.243 -4.031 41 HZ2 LYS 8 2HZ LYS 8 4.396 -19.445 -4.288 42 HZ3 LYS 8 3HZ LYS 8 3.857 -20.602 -5.398 43 H ALA 9 H ALA 9 1.317 -14.151 -6.274 44 HA ALA 9 HA ALA 9 -0.506 -12.925 -4.717 45 HB1 ALA 9 1HB ALA 9 1.940 -12.333 -5.027 46 HB2 ALA 9 2HB ALA 9 1.416 -11.290 -6.351 47 HB3 ALA 9 3HB ALA 9 0.839 -10.991 -4.711 48 H LYS 10 H LYS 10 -2.568 -12.548 -5.273 49 HA LYS 10 HA LYS 10 -3.112 -10.474 -7.210 50 HB2 LYS 10 1HB LYS 10 -4.544 -11.709 -8.638 51 HB3 LYS 10 2HB LYS 10 -3.068 -12.656 -8.500 52 HG2 LYS 10 1HG LYS 10 -4.088 -14.344 -7.390 53 HG3 LYS 10 2HG LYS 10 -5.233 -13.271 -6.582 54 HD2 LYS 10 1HD LYS 10 -6.733 -13.360 -8.291 55 HD3 LYS 10 2HD LYS 10 -5.483 -13.548 -9.523 56 HE2 LYS 10 1HE LYS 10 -6.354 -15.687 -7.582 57 HE3 LYS 10 2HE LYS 10 -6.876 -15.567 -9.261 58 HZ1 LYS 10 1HZ LYS 10 -4.201 -15.496 -9.497 59 HZ2 LYS 10 2HZ LYS 10 -5.137 -16.897 -9.642 60 HZ3 LYS 10 3HZ LYS 10 -4.383 -16.533 -8.172 61 HA PRO 11 HA PRO 11 -6.338 -9.534 -4.381 62 HB2 PRO 11 1HB PRO 11 -8.114 -8.299 -6.021 63 HB3 PRO 11 2HB PRO 11 -6.591 -7.555 -5.520 64 HG2 PRO 11 1HG PRO 11 -7.263 -8.960 -8.077 65 HG3 PRO 11 2HG PRO 11 -6.348 -7.461 -7.831 66 HD2 PRO 11 1HD PRO 11 -5.145 -9.843 -8.290 67 HD3 PRO 11 2HD PRO 11 -4.414 -8.584 -7.274 68 H VAL 12 H VAL 12 -8.457 -10.097 -3.735 69 HA VAL 12 HA VAL 12 -9.573 -12.391 -5.206 70 HB VAL 12 HB VAL 12 -10.645 -13.027 -3.064 71 HG11 VAL 12 1HG1 VAL 12 -8.603 -13.817 -1.962 72 HG12 VAL 12 2HG1 VAL 12 -8.520 -14.026 -3.712 73 HG13 VAL 12 3HG1 VAL 12 -7.648 -12.702 -2.939 74 HG21 VAL 12 1HG2 VAL 12 -10.074 -11.949 -1.008 75 HG22 VAL 12 2HG2 VAL 12 -8.928 -10.884 -1.821 76 HG23 VAL 12 3HG2 VAL 12 -10.657 -10.711 -2.121 77 H ALA 13 H ALA 13 -10.302 -9.283 -3.786 78 HA ALA 13 HA ALA 13 -12.821 -9.227 -5.243 79 HB1 ALA 13 1HB ALA 13 -13.870 -9.892 -3.337 80 HB2 ALA 13 2HB ALA 13 -12.609 -9.249 -2.284 81 HB3 ALA 13 3HB ALA 13 -13.789 -8.160 -3.014 82 H THR 14 H THR 14 -13.619 -7.118 -5.621 83 HA THR 14 HA THR 14 -11.958 -4.879 -4.742 84 HB THR 14 HB THR 14 -12.628 -5.272 -7.662 85 HG1 THR 14 1HG THR 14 -10.911 -6.493 -7.731 86 HG21 THR 14 1HG2 THR 14 -10.471 -3.534 -7.349 87 HG22 THR 14 2HG2 THR 14 -11.611 -3.070 -6.085 88 HG23 THR 14 3HG2 THR 14 -12.126 -3.100 -7.772 89 H ALA 15 H ALA 15 -13.109 -3.086 -4.322 90 HA ALA 15 HA ALA 15 -15.754 -2.751 -5.524 91 HB1 ALA 15 1HB ALA 15 -16.399 -3.845 -3.553 92 HB2 ALA 15 2HB ALA 15 -15.218 -2.969 -2.578 93 HB3 ALA 15 3HB ALA 15 -16.634 -2.130 -3.213 94 HA PRO 16 HA PRO 16 -14.116 1.365 -5.828 95 HB2 PRO 16 1HB PRO 16 -16.343 2.503 -6.883 96 HB3 PRO 16 2HB PRO 16 -15.243 1.491 -7.826 97 HG2 PRO 16 1HG PRO 16 -17.854 0.772 -6.550 98 HG3 PRO 16 2HG PRO 16 -17.236 0.339 -8.155 99 HD2 PRO 16 1HD PRO 16 -17.161 -1.369 -6.055 100 HD3 PRO 16 2HD PRO 16 -15.923 -1.366 -7.327 101 H ILE 17 H ILE 17 -13.937 2.790 -4.226 102 HA ILE 17 HA ILE 17 -15.837 2.909 -2.092 103 HB ILE 17 HB ILE 17 -13.446 4.668 -2.651 104 HG12 ILE 17 1HG1 ILE 17 -13.833 2.093 -1.166 105 HG13 ILE 17 2HG1 ILE 17 -12.551 2.551 -2.281 106 HG21 ILE 17 1HG2 ILE 17 -14.878 4.320 -0.030 107 HG22 ILE 17 2HG2 ILE 17 -13.636 5.500 -0.447 108 HG23 ILE 17 3HG2 ILE 17 -15.245 5.626 -1.157 109 HD11 ILE 17 1HD1 ILE 17 -11.587 4.012 -0.611 110 HD12 ILE 17 2HD1 ILE 17 -12.904 3.638 0.502 111 HD13 ILE 17 3HD1 ILE 17 -11.765 2.377 0.027 112 HA PRO 18 HA PRO 18 -18.485 6.037 -3.739 113 HB2 PRO 18 1HB PRO 18 -19.697 6.755 -1.418 114 HB3 PRO 18 2HB PRO 18 -20.063 5.248 -2.267 115 HG2 PRO 18 1HG PRO 18 -18.281 5.707 0.094 116 HG3 PRO 18 2HG PRO 18 -19.449 4.404 -0.189 117 HD2 PRO 18 1HD PRO 18 -16.787 4.081 -0.563 118 HD3 PRO 18 2HD PRO 18 -17.999 3.227 -1.539 119 H GLY 19 H GLY 19 -18.062 8.090 -4.253 120 HA2 GLY 19 1HA GLY 19 -17.663 10.366 -3.806 121 HA3 GLY 19 2HA GLY 19 -17.059 9.925 -2.216 122 H THR 20 H THR 20 -15.080 8.193 -2.661 123 HA THR 20 HA THR 20 -13.117 9.840 -4.073 124 HB THR 20 HB THR 20 -11.486 9.001 -2.697 125 HG1 THR 20 1HG THR 20 -13.056 6.642 -2.639 126 HG21 THR 20 1HG2 THR 20 -12.448 8.608 -0.401 127 HG22 THR 20 2HG2 THR 20 -14.048 8.673 -1.141 128 HG23 THR 20 3HG2 THR 20 -12.991 10.083 -1.199 129 HA PRO 21 HA PRO 21 -12.715 7.052 -7.451 130 HB2 PRO 21 1HB PRO 21 -10.141 7.548 -8.156 131 HB3 PRO 21 2HB PRO 21 -11.457 8.686 -8.466 132 HG2 PRO 21 1HG PRO 21 -9.435 8.683 -6.258 133 HG3 PRO 21 2HG PRO 21 -10.031 10.043 -7.228 134 HD2 PRO 21 1HD PRO 21 -10.928 9.536 -4.724 135 HD3 PRO 21 2HD PRO 21 -11.958 10.252 -5.981 136 H TRP 22 H TRP 22 -11.194 6.606 -4.519 137 HA TRP 22 HA TRP 22 -9.381 4.510 -5.190 138 HB2 TRP 22 1HB TRP 22 -10.621 5.400 -2.587 139 HB3 TRP 22 2HB TRP 22 -9.506 4.040 -2.689 140 HD1 TRP 22 HD TRP 22 -9.611 7.829 -2.733 141 HE1 TRP 22 1HE TRP 22 -7.204 8.740 -2.690 142 HE3 TRP 22 3HE TRP 22 -7.073 3.453 -3.468 143 HZ2 TRP 22 2HZ TRP 22 -4.577 7.736 -2.935 144 HZ3 TRP 22 3HZ TRP 22 -4.615 3.514 -3.552 145 HH2 TRP 22 HH TRP 22 -3.394 5.613 -3.291 146 H CYS 23 H CYS 23 -9.603 2.267 -4.716 147 HA CYS 23 HA CYS 23 -12.358 1.300 -4.416 148 HB2 CYS 23 1HB CYS 23 -10.403 0.266 -6.481 149 HB3 CYS 23 2HB CYS 23 -12.028 -0.344 -6.194 150 HG CYS 23 HG CYS 23 -12.570 1.016 -8.387 151 H VAL 24 H VAL 24 -12.414 0.036 -2.691 152 HA VAL 24 HA VAL 24 -10.132 -1.015 -1.415 153 HB VAL 24 HB VAL 24 -13.030 -1.808 -1.092 154 HG11 VAL 24 1HG1 VAL 24 -10.577 -2.818 0.115 155 HG12 VAL 24 2HG1 VAL 24 -11.766 -2.275 1.301 156 HG13 VAL 24 3HG1 VAL 24 -12.202 -3.501 0.110 157 HG21 VAL 24 1HG2 VAL 24 -12.675 -0.383 1.039 158 HG22 VAL 24 2HG2 VAL 24 -11.308 0.300 0.158 159 HG23 VAL 24 3HG2 VAL 24 -12.939 0.436 -0.500 160 H VAL 25 H VAL 25 -8.956 -2.746 -1.877 161 HA VAL 25 HA VAL 25 -10.208 -4.935 -3.405 162 HB VAL 25 HB VAL 25 -7.345 -3.993 -3.632 163 HG11 VAL 25 1HG1 VAL 25 -8.830 -6.341 -4.702 164 HG12 VAL 25 2HG1 VAL 25 -7.591 -5.591 -5.710 165 HG13 VAL 25 3HG1 VAL 25 -7.171 -6.225 -4.118 166 HG21 VAL 25 1HG2 VAL 25 -9.749 -3.609 -5.393 167 HG22 VAL 25 2HG2 VAL 25 -8.654 -2.388 -4.745 168 HG23 VAL 25 3HG2 VAL 25 -8.103 -3.483 -6.012 169 H TRP 26 H TRP 26 -10.156 -6.854 -2.443 170 HA TRP 26 HA TRP 26 -8.530 -7.181 -0.039 171 HB2 TRP 26 1HB TRP 26 -10.849 -8.736 -1.183 172 HB3 TRP 26 2HB TRP 26 -9.913 -9.309 0.195 173 HD1 TRP 26 HD TRP 26 -10.372 -8.197 2.531 174 HE1 TRP 26 1HE TRP 26 -12.143 -6.532 3.380 175 HE3 TRP 26 3HE TRP 26 -12.248 -6.645 -1.964 176 HZ2 TRP 26 2HZ TRP 26 -14.079 -4.792 2.288 177 HZ3 TRP 26 3HZ TRP 26 -14.059 -4.978 -1.975 178 HH2 TRP 26 HH TRP 26 -14.954 -4.073 0.109 179 H THR 27 H THR 27 -7.500 -9.329 0.326 180 HA THR 27 HA THR 27 -6.483 -10.511 -2.170 181 HB THR 27 HB THR 27 -4.258 -10.776 -0.996 182 HG1 THR 27 1HG THR 27 -3.923 -9.748 0.875 183 HG21 THR 27 1HG2 THR 27 -3.806 -9.130 -2.436 184 HG22 THR 27 2HG2 THR 27 -4.113 -7.996 -1.121 185 HG23 THR 27 3HG2 THR 27 -5.410 -8.429 -2.234 186 H GLY 28 H GLY 28 -5.118 -12.574 -1.523 187 HA2 GLY 28 1HA GLY 28 -6.984 -14.322 -0.193 188 HA3 GLY 28 2HA GLY 28 -5.475 -14.793 -0.959 189 H ASP 29 H ASP 29 -4.286 -12.500 0.796 190 HA ASP 29 HA ASP 29 -3.716 -14.265 3.057 191 HB2 ASP 29 1HB ASP 29 -1.966 -12.978 1.551 192 HB3 ASP 29 2HB ASP 29 -2.320 -11.653 2.655 193 H GLU 30 H GLU 30 -6.227 -13.278 3.242 194 HA GLU 30 HA GLU 30 -7.650 -11.868 4.387 195 HB2 GLU 30 1HB GLU 30 -5.597 -12.488 6.518 196 HB3 GLU 30 2HB GLU 30 -7.251 -11.964 6.804 197 HG2 GLU 30 1HG GLU 30 -7.919 -14.058 5.469 198 HG3 GLU 30 2HG GLU 30 -6.263 -14.587 5.761 199 H ARG 31 H ARG 31 -5.997 -10.288 2.878 200 HA ARG 31 HA ARG 31 -5.623 -7.976 4.652 201 HB2 ARG 31 1HB ARG 31 -3.658 -9.201 2.780 202 HB3 ARG 31 2HB ARG 31 -3.701 -7.446 2.882 203 HG2 ARG 31 1HG ARG 31 -3.557 -9.048 5.391 204 HG3 ARG 31 2HG ARG 31 -2.105 -8.828 4.412 205 HD2 ARG 31 1HD ARG 31 -2.213 -6.468 4.628 206 HD3 ARG 31 2HD ARG 31 -3.838 -6.537 5.308 207 HE ARG 31 HE ARG 31 -1.376 -6.829 6.719 208 HH11 ARG 31 2HH1 ARG 31 -4.710 -7.829 6.662 209 HH12 ARG 31 1HH1 ARG 31 -4.780 -8.144 8.364 210 HH21 ARG 31 2HH2 ARG 31 -1.456 -7.241 8.961 211 HH22 ARG 31 1HH2 ARG 31 -2.929 -7.809 9.671 212 H VAL 32 H VAL 32 -5.778 -5.909 3.578 213 HA VAL 32 HA VAL 32 -7.026 -5.964 0.925 214 HB VAL 32 HB VAL 32 -8.900 -5.935 2.456 215 HG11 VAL 32 1HG1 VAL 32 -8.947 -3.605 3.823 216 HG12 VAL 32 2HG1 VAL 32 -8.396 -5.137 4.503 217 HG13 VAL 32 3HG1 VAL 32 -7.224 -3.976 3.877 218 HG21 VAL 32 1HG2 VAL 32 -9.744 -4.656 0.829 219 HG22 VAL 32 2HG2 VAL 32 -9.469 -3.296 1.918 220 HG23 VAL 32 3HG2 VAL 32 -8.266 -3.703 0.695 221 H PHE 33 H PHE 33 -6.513 -4.264 -0.360 222 HA PHE 33 HA PHE 33 -5.000 -2.049 0.854 223 HB2 PHE 33 1HB PHE 33 -3.494 -2.035 -1.065 224 HB3 PHE 33 2HB PHE 33 -3.464 -3.612 -0.282 225 HD1 PHE 33 1HD PHE 33 -4.698 -5.515 -1.323 226 HD2 PHE 33 2HD PHE 33 -4.136 -1.796 -3.315 227 HE1 PHE 33 1HE PHE 33 -5.217 -6.593 -3.473 228 HE2 PHE 33 2HE PHE 33 -4.655 -2.867 -5.468 229 HZ PHE 33 HZ PHE 33 -5.197 -5.268 -5.549 230 H PHE 34 H PHE 34 -4.899 -0.106 -0.569 231 HA PHE 34 HA PHE 34 -7.516 0.304 -1.820 232 HB2 PHE 34 1HB PHE 34 -5.490 2.415 -1.072 233 HB3 PHE 34 2HB PHE 34 -7.192 2.651 -1.455 234 HD1 PHE 34 2HD PHE 34 -4.849 1.299 1.050 235 HD2 PHE 34 1HD PHE 34 -8.867 2.413 0.193 236 HE1 PHE 34 2HE PHE 34 -5.408 1.107 3.438 237 HE2 PHE 34 1HE PHE 34 -9.432 2.224 2.580 238 HZ PHE 34 HZ PHE 34 -7.702 1.569 4.206 239 H TYR 35 H TYR 35 -7.750 0.704 -3.937 240 HA TYR 35 HA TYR 35 -5.309 1.130 -5.532 241 HB2 TYR 35 1HB TYR 35 -6.006 -1.080 -6.026 242 HB3 TYR 35 2HB TYR 35 -7.701 -0.614 -6.098 243 HD1 TYR 35 1HD TYR 35 -4.498 0.356 -7.776 244 HD2 TYR 35 2HD TYR 35 -8.631 -0.557 -8.200 245 HE1 TYR 35 1HE TYR 35 -4.306 0.647 -10.211 246 HE2 TYR 35 2HE TYR 35 -8.451 -0.269 -10.636 247 HH TYR 35 HH TYR 35 -6.633 -0.399 -12.376 248 H ASN 36 H ASN 36 -5.544 2.375 -7.459 249 HA ASN 36 HA ASN 36 -7.990 4.001 -7.598 250 HB2 ASN 36 1HB ASN 36 -6.112 5.205 -6.414 251 HB3 ASN 36 2HB ASN 36 -5.208 5.134 -7.924 252 HD21 ASN 36 1HD2 ASN 36 -6.830 7.179 -6.125 253 HD22 ASN 36 2HD2 ASN 36 -7.569 8.181 -7.324 254 HA PRO 37 HA PRO 37 -7.310 2.361 -11.776 255 HB2 PRO 37 1HB PRO 37 -9.903 2.642 -12.530 256 HB3 PRO 37 2HB PRO 37 -9.320 1.264 -11.589 257 HG2 PRO 37 1HG PRO 37 -10.730 3.734 -10.655 258 HG3 PRO 37 2HG PRO 37 -10.987 2.048 -10.169 259 HD2 PRO 37 1HD PRO 37 -9.564 3.797 -8.669 260 HD3 PRO 37 2HD PRO 37 -9.194 2.061 -8.721 261 H THR 38 H THR 38 -7.980 5.395 -10.559 262 HA THR 38 HA THR 38 -8.335 6.634 -13.189 263 HB THR 38 HB THR 38 -8.437 7.893 -10.441 264 HG1 THR 38 1HG THR 38 -10.654 7.607 -12.152 265 HG21 THR 38 1HG2 THR 38 -8.978 8.994 -13.195 266 HG22 THR 38 2HG2 THR 38 -7.802 9.568 -12.012 267 HG23 THR 38 3HG2 THR 38 -9.528 9.776 -11.714 268 H THR 39 H THR 39 -6.070 6.403 -10.523 269 HA THR 39 HA THR 39 -4.129 7.958 -12.108 270 HB THR 39 HB THR 39 -3.035 8.619 -10.018 271 HG1 THR 39 1HG THR 39 -3.540 7.646 -8.213 272 HG21 THR 39 1HG2 THR 39 -5.316 9.682 -11.053 273 HG22 THR 39 2HG2 THR 39 -4.387 10.402 -9.739 274 HG23 THR 39 3HG2 THR 39 -5.795 9.404 -9.380 275 H ARG 40 H ARG 40 -4.835 4.966 -11.736 276 HA ARG 40 HA ARG 40 -3.757 2.963 -11.420 277 HB2 ARG 40 1HB ARG 40 -1.479 4.467 -12.713 278 HB3 ARG 40 2HB ARG 40 -1.781 2.736 -12.777 279 HG2 ARG 40 1HG ARG 40 -3.919 3.249 -13.982 280 HG3 ARG 40 2HG ARG 40 -3.377 4.926 -14.077 281 HD2 ARG 40 1HD ARG 40 -1.535 2.777 -14.998 282 HD3 ARG 40 2HD ARG 40 -2.902 3.211 -16.024 283 HE ARG 40 HE ARG 40 -1.889 5.227 -16.482 284 HH11 ARG 40 2HH1 ARG 40 -0.219 3.628 -13.879 285 HH12 ARG 40 1HH1 ARG 40 1.124 4.722 -13.895 286 HH21 ARG 40 2HH2 ARG 40 -0.127 6.675 -16.512 287 HH22 ARG 40 1HH2 ARG 40 1.175 6.455 -15.392 288 H LEU 41 H LEU 41 -3.626 4.538 -9.100 289 HA LEU 41 HA LEU 41 -0.904 4.022 -8.107 290 HB2 LEU 41 1HB LEU 41 -2.024 6.359 -8.011 291 HB3 LEU 41 2HB LEU 41 -2.937 5.680 -6.665 292 HG LEU 41 HG LEU 41 -1.046 6.974 -5.862 293 HD11 LEU 41 1HD1 LEU 41 -1.817 4.819 -4.745 294 HD12 LEU 41 2HD1 LEU 41 -0.221 5.428 -4.307 295 HD13 LEU 41 3HD1 LEU 41 -0.371 4.080 -5.434 296 HD21 LEU 41 1HD2 LEU 41 0.884 7.001 -6.951 297 HD22 LEU 41 2HD2 LEU 41 0.296 5.747 -8.044 298 HD23 LEU 41 3HD2 LEU 41 1.135 5.300 -6.557 299 H SER 42 H SER 42 -0.589 2.484 -6.631 300 HA SER 42 HA SER 42 -2.904 1.489 -5.113 301 HB2 SER 42 1HB SER 42 -2.048 -0.819 -5.388 302 HB3 SER 42 2HB SER 42 -2.487 -0.088 -6.932 303 HG SER 42 HG SER 42 -0.197 0.453 -7.119 304 H MET 43 H MET 43 -2.568 1.443 -2.992 305 HA MET 43 HA MET 43 0.206 1.307 -2.011 306 HB2 MET 43 1HB MET 43 -1.922 2.836 -0.548 307 HB3 MET 43 2HB MET 43 -0.174 2.976 -0.418 308 HG2 MET 43 1HG MET 43 -0.350 3.763 -2.902 309 HG3 MET 43 2HG MET 43 -2.021 4.105 -2.460 310 HE1 MET 43 1HE MET 43 -0.480 4.581 0.849 311 HE2 MET 43 2HE MET 43 -1.025 6.258 0.878 312 HE3 MET 43 3HE MET 43 -2.115 4.986 0.325 313 H TRP 44 H TRP 44 0.486 0.350 0.077 314 HA TRP 44 HA TRP 44 -1.430 -1.778 0.564 315 HB2 TRP 44 1HB TRP 44 1.390 -1.225 1.375 316 HB3 TRP 44 2HB TRP 44 0.428 -2.306 2.380 317 HD1 TRP 44 HD TRP 44 2.507 -2.269 -0.696 318 HE1 TRP 44 1HE TRP 44 2.356 -4.538 -1.902 319 HE3 TRP 44 3HE TRP 44 -1.445 -4.279 1.848 320 HZ2 TRP 44 2HZ TRP 44 0.771 -6.871 -1.790 321 HZ3 TRP 44 3HZ TRP 44 -2.217 -6.534 1.237 322 HH2 TRP 44 HH TRP 44 -1.131 -7.801 -0.545 323 H ASP 45 H ASP 45 -0.850 1.327 1.711 324 HA ASP 45 HA ASP 45 -2.287 0.738 4.217 325 HB2 ASP 45 1HB ASP 45 -0.098 2.717 3.635 326 HB3 ASP 45 2HB ASP 45 -1.203 2.958 4.985 327 H ARG 46 H ARG 46 -3.388 2.839 5.058 328 HA ARG 46 HA ARG 46 -5.202 3.680 2.973 329 HB2 ARG 46 1HB ARG 46 -5.749 3.073 5.450 330 HB3 ARG 46 2HB ARG 46 -5.263 4.730 5.782 331 HG2 ARG 46 1HG ARG 46 -7.242 4.264 3.620 332 HG3 ARG 46 2HG ARG 46 -7.771 4.085 5.294 333 HD2 ARG 46 1HD ARG 46 -6.493 6.396 5.542 334 HD3 ARG 46 2HD ARG 46 -6.874 6.505 3.825 335 HE ARG 46 HE ARG 46 -9.024 6.965 4.409 336 HH11 ARG 46 2HH1 ARG 46 -7.512 5.262 7.042 337 HH12 ARG 46 1HH1 ARG 46 -8.888 5.391 8.088 338 HH21 ARG 46 2HH2 ARG 46 -10.841 7.142 5.776 339 HH22 ARG 46 1HH2 ARG 46 -10.781 6.460 7.366 340 HA PRO 47 HA PRO 47 -2.671 7.306 2.200 341 HB2 PRO 47 1HB PRO 47 -4.103 8.135 0.048 342 HB3 PRO 47 2HB PRO 47 -2.910 6.834 -0.036 343 HG2 PRO 47 1HG PRO 47 -5.891 6.660 0.186 344 HG3 PRO 47 2HG PRO 47 -4.787 5.715 -0.831 345 HD2 PRO 47 1HD PRO 47 -5.805 4.762 1.490 346 HD3 PRO 47 2HD PRO 47 -4.193 4.312 0.898 347 H ASP 48 H ASP 48 -3.037 9.603 2.192 348 HA ASP 48 HA ASP 48 -4.868 10.484 4.112 349 HB2 ASP 48 1HB ASP 48 -4.319 12.799 2.959 350 HB3 ASP 48 2HB ASP 48 -3.098 11.940 3.894 351 H ASP 49 H ASP 49 -4.974 10.744 0.570 352 HA ASP 49 HA ASP 49 -7.149 12.242 0.085 353 HB2 ASP 49 1HB ASP 49 -6.233 9.685 -1.185 354 HB3 ASP 49 2HB ASP 49 -7.718 10.455 -1.739 355 H LEU 50 H LEU 50 -7.149 9.132 1.638 356 HA LEU 50 HA LEU 50 -10.083 9.080 1.650 357 HB2 LEU 50 1HB LEU 50 -8.003 6.995 2.250 358 HB3 LEU 50 2HB LEU 50 -9.707 6.772 2.644 359 HG LEU 50 HG LEU 50 -8.545 7.137 -0.118 360 HD11 LEU 50 1HD1 LEU 50 -10.036 4.716 0.717 361 HD12 LEU 50 2HD1 LEU 50 -8.387 4.904 1.314 362 HD13 LEU 50 3HD1 LEU 50 -8.700 4.893 -0.422 363 HD21 LEU 50 1HD2 LEU 50 -10.577 7.755 -0.758 364 HD22 LEU 50 2HD2 LEU 50 -11.192 7.576 0.886 365 HD23 LEU 50 3HD2 LEU 50 -11.191 6.195 -0.212 366 H ILE 51 H ILE 51 -7.284 9.376 3.711 367 HA ILE 51 HA ILE 51 -8.259 8.863 6.214 368 HB ILE 51 HB ILE 51 -6.391 11.045 5.309 369 HG12 ILE 51 1HG1 ILE 51 -5.951 8.419 6.747 370 HG13 ILE 51 2HG1 ILE 51 -5.602 8.736 5.052 371 HG21 ILE 51 1HG2 ILE 51 -5.933 10.616 8.014 372 HG22 ILE 51 2HG2 ILE 51 -6.663 12.042 7.278 373 HG23 ILE 51 3HG2 ILE 51 -7.687 10.735 7.873 374 HD11 ILE 51 1HD1 ILE 51 -3.563 9.345 5.635 375 HD12 ILE 51 2HD1 ILE 51 -4.248 10.703 6.528 376 HD13 ILE 51 3HD1 ILE 51 -3.963 9.165 7.343 377 H GLY 52 H GLY 52 -10.038 9.515 7.217 378 HA2 GLY 52 1HA GLY 52 -11.073 11.479 8.312 379 HA3 GLY 52 2HA GLY 52 -10.959 12.286 6.756 380 H ARG 53 H ARG 53 -11.757 9.865 5.284 381 HA ARG 53 HA ARG 53 -14.616 10.232 5.549 382 HB2 ARG 53 1HB ARG 53 -13.007 8.574 3.598 383 HB3 ARG 53 2HB ARG 53 -14.743 8.841 3.510 384 HG2 ARG 53 1HG ARG 53 -14.195 11.323 3.394 385 HG3 ARG 53 2HG ARG 53 -12.529 10.822 3.099 386 HD2 ARG 53 1HD ARG 53 -13.046 9.854 1.058 387 HD3 ARG 53 2HD ARG 53 -14.752 9.672 1.465 388 HE ARG 53 HE ARG 53 -13.508 11.938 0.250 389 HH11 ARG 53 2HH1 ARG 53 -16.119 10.934 2.322 390 HH12 ARG 53 1HH1 ARG 53 -17.117 12.298 1.944 391 HH21 ARG 53 2HH2 ARG 53 -14.813 13.739 -0.256 392 HH22 ARG 53 1HH2 ARG 53 -16.374 13.893 0.477 393 H ALA 54 H ALA 54 -16.059 8.787 6.320 394 HA ALA 54 HA ALA 54 -15.031 6.528 7.806 395 HB1 ALA 54 1HB ALA 54 -16.923 6.645 9.025 396 HB2 ALA 54 2HB ALA 54 -17.045 8.250 8.302 397 HB3 ALA 54 3HB ALA 54 -17.947 6.900 7.611 398 H ASP 55 H ASP 55 -16.938 7.105 4.913 399 HA ASP 55 HA ASP 55 -18.052 4.652 4.422 400 HB2 ASP 55 1HB ASP 55 -16.683 6.128 2.195 401 HB3 ASP 55 2HB ASP 55 -18.224 5.276 2.176 402 H VAL 56 H VAL 56 -14.783 5.680 3.442 403 HA VAL 56 HA VAL 56 -13.894 3.394 2.222 404 HB VAL 56 HB VAL 56 -12.502 5.348 2.260 405 HG11 VAL 56 1HG1 VAL 56 -13.182 5.501 4.942 406 HG12 VAL 56 2HG1 VAL 56 -11.453 5.148 4.954 407 HG13 VAL 56 3HG1 VAL 56 -12.061 6.555 4.081 408 HG21 VAL 56 1HG2 VAL 56 -11.255 2.988 3.654 409 HG22 VAL 56 2HG2 VAL 56 -11.273 3.336 1.925 410 HG23 VAL 56 3HG2 VAL 56 -10.326 4.345 3.018 411 H ASP 57 H ASP 57 -14.184 4.031 5.669 412 HA ASP 57 HA ASP 57 -12.805 1.691 6.522 413 HB2 ASP 57 1HB ASP 57 -13.426 3.883 7.830 414 HB3 ASP 57 2HB ASP 57 -14.908 3.005 8.201 415 H LYS 58 H LYS 58 -16.280 2.500 6.623 416 HA LYS 58 HA LYS 58 -17.408 0.215 7.448 417 HB2 LYS 58 1HB LYS 58 -18.791 2.059 6.788 418 HB3 LYS 58 2HB LYS 58 -18.271 1.924 5.113 419 HG2 LYS 58 1HG LYS 58 -19.386 -0.263 4.965 420 HG3 LYS 58 2HG LYS 58 -19.951 -0.066 6.626 421 HD2 LYS 58 1HD LYS 58 -21.208 1.912 5.991 422 HD3 LYS 58 2HD LYS 58 -20.588 1.803 4.342 423 HE2 LYS 58 1HE LYS 58 -21.719 -0.319 4.029 424 HE3 LYS 58 2HE LYS 58 -22.272 -0.299 5.703 425 HZ1 LYS 58 1HZ LYS 58 -23.111 1.469 3.483 426 HZ2 LYS 58 2HZ LYS 58 -23.415 1.856 5.101 427 HZ3 LYS 58 3HZ LYS 58 -24.072 0.450 4.431 428 H ILE 59 H ILE 59 -16.466 0.768 4.055 429 HA ILE 59 HA ILE 59 -17.154 -1.678 2.992 430 HB ILE 59 HB ILE 59 -14.711 -0.046 2.288 431 HG12 ILE 59 1HG1 ILE 59 -17.382 -0.019 0.893 432 HG13 ILE 59 2HG1 ILE 59 -17.026 1.069 2.229 433 HG21 ILE 59 1HG2 ILE 59 -15.440 -1.205 -0.017 434 HG22 ILE 59 2HG2 ILE 59 -14.269 -1.914 1.094 435 HG23 ILE 59 3HG2 ILE 59 -15.946 -2.458 1.116 436 HD11 ILE 59 1HD1 ILE 59 -15.019 1.027 0.090 437 HD12 ILE 59 2HD1 ILE 59 -16.605 1.652 -0.366 438 HD13 ILE 59 3HD1 ILE 59 -15.720 2.384 0.972 439 H ILE 60 H ILE 60 -13.868 -0.818 4.093 440 HA ILE 60 HA ILE 60 -12.736 -3.331 3.929 441 HB ILE 60 HB ILE 60 -12.145 -1.136 5.914 442 HG12 ILE 60 1HG1 ILE 60 -10.559 -1.912 3.472 443 HG13 ILE 60 2HG1 ILE 60 -11.882 -0.753 3.388 444 HG21 ILE 60 1HG2 ILE 60 -11.329 -3.251 6.777 445 HG22 ILE 60 2HG2 ILE 60 -10.531 -3.592 5.243 446 HG23 ILE 60 3HG2 ILE 60 -9.979 -2.250 6.245 447 HD11 ILE 60 1HD1 ILE 60 -9.938 -0.192 5.495 448 HD12 ILE 60 2HD1 ILE 60 -9.283 -0.131 3.858 449 HD13 ILE 60 3HD1 ILE 60 -10.661 0.879 4.294 450 H GLN 61 H GLN 61 -14.645 -1.929 6.542 451 HA GLN 61 HA GLN 61 -14.220 -3.949 8.450 452 HB2 GLN 61 1HB GLN 61 -16.605 -2.132 8.065 453 HB3 GLN 61 2HB GLN 61 -16.306 -3.108 9.497 454 HG2 GLN 61 1HG GLN 61 -14.019 -1.819 9.502 455 HG3 GLN 61 2HG GLN 61 -14.934 -0.646 8.557 456 HE21 GLN 61 1HE2 GLN 61 -14.027 -1.496 11.597 457 HE22 GLN 61 2HE2 GLN 61 -15.255 -0.688 12.503 458 H GLU 62 H GLU 62 -17.000 -3.464 6.265 459 HA GLU 62 HA GLU 62 -17.666 -6.307 6.620 460 HB2 GLU 62 1HB GLU 62 -19.495 -4.892 7.251 461 HB3 GLU 62 2HB GLU 62 -19.352 -3.951 5.773 462 HG2 GLU 62 1HG GLU 62 -20.173 -5.738 4.451 463 HG3 GLU 62 2HG GLU 62 -20.055 -6.871 5.795 464 HA PRO 63 HA PRO 63 -15.914 -6.215 2.383 465 HB2 PRO 63 1HB PRO 63 -14.980 -8.761 2.494 466 HB3 PRO 63 2HB PRO 63 -14.082 -7.380 3.135 467 HG2 PRO 63 1HG PRO 63 -15.781 -9.373 4.586 468 HG3 PRO 63 2HG PRO 63 -14.203 -8.705 5.042 469 HD2 PRO 63 1HD PRO 63 -16.526 -7.811 6.108 470 HD3 PRO 63 2HD PRO 63 -15.122 -6.754 5.855 471 HA PRO 64 HA PRO 64 -19.463 -8.147 0.576 472 HB2 PRO 64 1HB PRO 64 -18.605 -8.159 -2.000 473 HB3 PRO 64 2HB PRO 64 -19.160 -6.695 -1.179 474 HG2 PRO 64 1HG PRO 64 -16.365 -7.652 -1.660 475 HG3 PRO 64 2HG PRO 64 -17.031 -6.017 -1.821 476 HD2 PRO 64 1HD PRO 64 -15.599 -6.800 0.340 477 HD3 PRO 64 2HD PRO 64 -16.911 -5.609 0.444 478 H HIS 65 H HIS 65 -16.330 -9.271 -0.723 479 HA HIS 65 HA HIS 65 -17.088 -11.739 -1.657 480 HB2 HIS 65 1HB HIS 65 -14.836 -12.292 -1.730 481 HB3 HIS 65 2HB HIS 65 -14.768 -10.533 -1.670 482 HD1 HIS 65 1HD HIS 65 -14.042 -9.463 0.621 483 HD2 HIS 65 2HD HIS 65 -13.694 -13.599 0.420 484 HE1 HIS 65 1HE HIS 65 -12.589 -10.112 2.569 485 H LYS 66 H LYS 66 -15.946 -10.976 1.627 486 HA LYS 66 HA LYS 66 -16.043 -13.484 2.755 487 HB2 LYS 66 1HB LYS 66 -15.417 -11.120 3.742 488 HB3 LYS 66 2HB LYS 66 -17.073 -11.161 4.332 489 HG2 LYS 66 1HG LYS 66 -15.124 -13.384 4.854 490 HG3 LYS 66 2HG LYS 66 -15.278 -11.981 5.913 491 HD2 LYS 66 1HD LYS 66 -17.666 -13.630 5.145 492 HD3 LYS 66 2HD LYS 66 -16.623 -14.095 6.491 493 HE2 LYS 66 1HE LYS 66 -17.666 -11.304 6.349 494 HE3 LYS 66 2HE LYS 66 -18.740 -12.595 6.885 495 HZ1 LYS 66 1HZ LYS 66 -17.790 -12.548 8.867 496 HZ2 LYS 66 2HZ LYS 66 -16.825 -11.247 8.380 497 HZ3 LYS 66 3HZ LYS 66 -16.262 -12.832 8.200 498 H LYS 67 H LYS 67 -18.697 -11.118 2.580 499 HA LYS 67 HA LYS 67 -20.716 -12.273 3.896 500 HB2 LYS 67 1HB LYS 67 -20.907 -11.179 1.083 501 HB3 LYS 67 2HB LYS 67 -22.276 -11.436 2.157 502 HG2 LYS 67 1HG LYS 67 -19.969 -9.632 2.837 503 HG3 LYS 67 2HG LYS 67 -21.427 -9.078 2.009 504 HD2 LYS 67 1HD LYS 67 -21.528 -10.535 4.638 505 HD3 LYS 67 2HD LYS 67 -21.348 -8.782 4.539 506 HE2 LYS 67 1HE LYS 67 -23.429 -8.703 3.187 507 HE3 LYS 67 2HE LYS 67 -23.622 -10.436 3.446 508 HZ1 LYS 67 1HZ LYS 67 -24.941 -9.148 5.008 509 HZ2 LYS 67 2HZ LYS 67 -23.552 -8.370 5.580 510 HZ3 LYS 67 3HZ LYS 67 -23.751 -10.032 5.822 511 H SER 68 H SER 68 -21.756 -14.156 3.946 512 HA SER 68 HA SER 68 -21.479 -15.957 1.628 513 HB2 SER 68 1HB SER 68 -20.238 -16.848 3.502 514 HB3 SER 68 2HB SER 68 -21.620 -16.630 4.575 515 HG SER 68 HG SER 68 -21.043 -18.694 2.943 516 H GLY 69 H GLY 69 -23.395 -15.388 0.621 517 HA2 GLY 69 1HA GLY 69 -25.881 -15.539 2.146 518 HA3 GLY 69 2HA GLY 69 -25.712 -14.991 0.485 519 HA PRO 70 HA PRO 70 -26.934 -19.628 0.937 520 HB2 PRO 70 1HB PRO 70 -29.641 -19.449 1.038 521 HB3 PRO 70 2HB PRO 70 -28.627 -19.497 2.485 522 HG2 PRO 70 1HG PRO 70 -29.871 -17.140 1.121 523 HG3 PRO 70 2HG PRO 70 -29.764 -17.502 2.853 524 HD2 PRO 70 1HD PRO 70 -28.097 -15.758 1.624 525 HD3 PRO 70 2HD PRO 70 -27.590 -16.753 3.005 526 H SER 71 H SER 71 -28.516 -16.930 -0.713 527 HA SER 71 HA SER 71 -29.254 -16.648 -2.847 528 HB2 SER 71 1HB SER 71 -26.766 -17.345 -3.145 529 HB3 SER 71 2HB SER 71 -27.431 -18.875 -3.717 530 HG SER 71 HG SER 71 -28.564 -17.711 -5.310 531 H SER 72 H SER 72 -30.635 -18.560 -1.158 532 HA SER 72 HA SER 72 -31.873 -20.190 -3.273 533 HB2 SER 72 1HB SER 72 -31.427 -21.080 -0.413 534 HB3 SER 72 2HB SER 72 -32.210 -22.016 -1.686 535 HG SER 72 HG SER 72 -29.651 -21.054 -2.206 536 H GLY 73 H GLY 73 -34.071 -20.218 -3.312 537 HA2 GLY 73 1HA GLY 73 -35.955 -19.942 -1.433 538 HA3 GLY 73 2HA GLY 73 -35.416 -18.280 -1.615
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