NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637016 | 6czt | 30450 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 38 1H GLN 38 -0.642 -0.555 -0.978 2 HA GLN 38 HA GLN 38 1.503 -0.496 0.018 3 HB2 GLN 38 1HB GLN 38 1.321 -1.301 -2.284 4 HB3 GLN 38 2HB GLN 38 1.352 0.343 -2.905 5 HG2 GLN 38 1HG GLN 38 3.496 -0.641 -3.245 6 HG3 GLN 38 2HG GLN 38 3.653 0.600 -1.969 7 HE21 GLN 38 1HE2 GLN 38 5.138 -1.595 0.247 8 HE22 GLN 38 2HE2 GLN 38 4.934 0.014 -0.361 9 H ALA 39 H ALA 39 2.648 0.775 1.266 10 HA ALA 39 HA ALA 39 2.664 3.649 0.952 11 HB1 ALA 39 1HB ALA 39 4.298 3.603 2.809 12 HB2 ALA 39 2HB ALA 39 2.872 2.599 3.161 13 HB3 ALA 39 3HB ALA 39 4.399 1.833 2.666 14 HA PRO 40 HA PRO 40 5.958 4.052 -1.840 15 HB2 PRO 40 1HB PRO 40 6.747 6.631 -1.319 16 HB3 PRO 40 2HB PRO 40 5.215 6.257 -2.118 17 HG2 PRO 40 1HG PRO 40 5.739 6.854 0.825 18 HG3 PRO 40 2HG PRO 40 4.495 7.539 -0.225 19 HD2 PRO 40 1HD PRO 40 3.940 5.468 1.454 20 HD3 PRO 40 2HD PRO 40 3.164 5.591 -0.175 21 H LYS 41 H LYS 41 8.180 3.810 -1.920 22 HA LYS 41 HA LYS 41 9.530 3.012 0.475 23 HB2 LYS 41 1HB LYS 41 10.078 2.148 -1.799 24 HB3 LYS 41 2HB LYS 41 10.705 3.730 -2.242 25 HG2 LYS 41 1HG LYS 41 12.483 3.544 -0.593 26 HG3 LYS 41 2HG LYS 41 11.814 2.017 0.001 27 HD2 LYS 41 1HD LYS 41 12.222 0.954 -2.166 28 HD3 LYS 41 2HD LYS 41 12.790 2.487 -2.840 29 HE2 LYS 41 1HE LYS 41 14.690 1.075 -2.231 30 HE3 LYS 41 2HE LYS 41 14.652 2.515 -1.210 31 HZ1 LYS 41 1HZ LYS 41 15.080 0.544 0.062 32 HZ2 LYS 41 2HZ LYS 41 13.634 1.195 0.514 33 HZ3 LYS 41 3HZ LYS 41 13.672 -0.152 -0.438 34 H GLY 42 H GLY 42 10.802 4.030 1.872 35 HA2 GLY 42 1HA GLY 42 12.394 5.827 2.393 36 HA3 GLY 42 2HA GLY 42 11.526 6.874 1.287 37 H SER 43 H SER 43 8.940 5.585 2.408 38 HA SER 43 HA SER 43 8.432 7.633 4.387 39 HB2 SER 43 1HB SER 43 6.213 6.686 4.509 40 HB3 SER 43 2HB SER 43 6.711 6.746 2.825 41 HG SER 43 HG SER 43 6.988 4.643 2.789 42 H ALA 44 H ALA 44 7.510 7.165 6.539 43 HA ALA 44 HA ALA 44 8.638 4.735 7.801 44 HB1 ALA 44 1HB ALA 44 9.672 6.075 9.605 45 HB2 ALA 44 2HB ALA 44 10.401 6.429 8.020 46 HB3 ALA 44 3HB ALA 44 9.235 7.566 8.738 47 H PHE 45 H PHE 45 7.744 4.198 9.827 48 HA PHE 45 HA PHE 45 5.093 5.512 10.262 49 HB2 PHE 45 1HB PHE 45 5.831 2.566 10.475 50 HB3 PHE 45 2HB PHE 45 4.288 3.241 10.973 51 HD1 PHE 45 HD1 PHE 45 6.508 2.712 8.052 52 HD2 PHE 45 HD2 PHE 45 2.571 3.653 9.414 53 HE1 PHE 45 HE1 PHE 45 5.648 2.439 5.750 54 HE2 PHE 45 HE2 PHE 45 1.706 3.379 7.114 55 HZ PHE 45 HZ PHE 45 3.247 2.773 5.281 56 H VAL 46 H VAL 46 4.331 5.725 12.349 57 HA VAL 46 HA VAL 46 6.017 4.722 14.561 58 HB VAL 46 HB VAL 46 6.907 6.985 14.055 59 HG11 VAL 46 1HG1 VAL 46 5.504 8.963 14.382 60 HG12 VAL 46 2HG1 VAL 46 4.924 7.951 13.040 61 HG13 VAL 46 3HG1 VAL 46 4.083 7.917 14.608 62 HG21 VAL 46 1HG2 VAL 46 6.638 7.922 16.329 63 HG22 VAL 46 2HG2 VAL 46 5.254 6.838 16.609 64 HG23 VAL 46 3HG2 VAL 46 6.884 6.161 16.384 65 H ARG 47 H ARG 47 4.855 4.074 16.259 66 HA ARG 47 HA ARG 47 1.932 4.596 16.178 67 HB2 ARG 47 1HB ARG 47 2.558 2.255 16.294 68 HB3 ARG 47 2HB ARG 47 3.592 2.549 17.684 69 HG2 ARG 47 1HG ARG 47 1.730 2.939 19.113 70 HG3 ARG 47 2HG ARG 47 0.606 3.020 17.735 71 HD2 ARG 47 1HD ARG 47 2.218 0.583 18.439 72 HD3 ARG 47 2HD ARG 47 0.568 0.894 19.027 73 HE ARG 47 HE ARG 47 0.499 1.181 16.252 74 HH11 ARG 47 1HH1 ARG 47 1.196 -1.346 18.589 75 HH12 ARG 47 2HH1 ARG 47 0.657 -2.639 17.540 76 HH21 ARG 47 1HH2 ARG 47 -0.197 -0.505 14.900 77 HH22 ARG 47 2HH2 ARG 47 -0.132 -2.163 15.452 78 H ALA 48 H ALA 48 1.120 6.139 17.404 79 HA ALA 48 HA ALA 48 2.575 7.064 19.786 80 HB1 ALA 48 1HB ALA 48 0.762 8.740 19.942 81 HB2 ALA 48 2HB ALA 48 1.503 8.719 18.324 82 HB3 ALA 48 3HB ALA 48 -0.078 7.947 18.589 83 H TYR 49 H TYR 49 2.517 5.404 21.246 84 HA TYR 49 HA TYR 49 -0.090 4.193 21.912 85 HB2 TYR 49 1HB TYR 49 1.884 2.729 21.695 86 HB3 TYR 49 2HB TYR 49 2.717 3.633 22.952 87 HD1 TYR 49 HD1 TYR 49 -0.165 1.402 22.272 88 HD2 TYR 49 HD2 TYR 49 2.340 3.207 25.250 89 HE1 TYR 49 HE1 TYR 49 -1.128 -0.093 23.989 90 HE2 TYR 49 HE2 TYR 49 1.378 1.712 26.966 91 HH TYR 49 HH TYR 49 -1.131 -0.669 26.135 92 H ASN 50 H ASN 50 -1.354 4.812 23.492 93 HA ASN 50 HA ASN 50 -0.315 6.833 25.399 94 HB2 ASN 50 1HB ASN 50 -2.402 7.313 24.136 95 HB3 ASN 50 2HB ASN 50 -3.160 5.912 24.880 96 HD21 ASN 50 1HD2 ASN 50 -4.121 8.947 26.766 97 HD22 ASN 50 2HD2 ASN 50 -4.257 8.408 25.125 98 H ALA 51 H ALA 51 0.693 5.950 27.060 99 HA ALA 51 HA ALA 51 -0.362 3.452 28.223 100 HB1 ALA 51 1HB ALA 51 1.711 3.485 29.574 101 HB2 ALA 51 2HB ALA 51 2.056 3.622 27.834 102 HB3 ALA 51 3HB ALA 51 2.133 5.064 28.873 103 H GLY 52 H GLY 52 -1.174 6.567 28.522 104 HA2 GLY 52 1HA GLY 52 -1.368 6.555 31.498 105 HA3 GLY 52 2HA GLY 52 -1.546 7.961 30.467 106 H ASN 53 H ASN 53 -3.490 8.034 32.042 107 HA ASN 53 HA ASN 53 -5.752 6.439 30.909 108 HB2 ASN 53 1HB ASN 53 -5.363 7.626 33.675 109 HB3 ASN 53 2HB ASN 53 -6.880 6.940 33.108 110 HD21 ASN 53 1HD2 ASN 53 -4.190 4.570 34.743 111 HD22 ASN 53 2HD2 ASN 53 -4.275 6.291 34.916 112 H SER 54 H SER 54 -4.626 8.952 29.859 113 HA SER 54 HA SER 54 -7.226 10.316 29.638 114 HB2 SER 54 1HB SER 54 -6.370 12.510 30.169 115 HB3 SER 54 2HB SER 54 -6.076 11.445 31.534 116 HG SER 54 HG SER 54 -4.297 12.399 29.601 117 H GLU 55 H GLU 55 -7.343 11.794 27.854 118 HA GLU 55 HA GLU 55 -6.022 10.817 25.526 119 HB2 GLU 55 1HB GLU 55 -7.534 13.411 26.024 120 HB3 GLU 55 2HB GLU 55 -6.988 12.889 24.437 121 HG2 GLU 55 1HG GLU 55 -9.162 12.176 24.423 122 HG3 GLU 55 2HG GLU 55 -8.334 10.717 24.960 123 H LEU 56 H LEU 56 -4.251 11.397 24.434 124 HA LEU 56 HA LEU 56 -2.609 13.581 25.643 125 HB2 LEU 56 1HB LEU 56 -1.692 11.093 24.158 126 HB3 LEU 56 2HB LEU 56 -0.637 12.351 24.809 127 HG LEU 56 HG LEU 56 -2.403 10.490 26.440 128 HD11 LEU 56 1HD1 LEU 56 -0.264 9.525 27.158 129 HD12 LEU 56 2HD1 LEU 56 -0.501 9.365 25.402 130 HD13 LEU 56 3HD1 LEU 56 0.601 10.608 26.042 131 HD21 LEU 56 1HD2 LEU 56 -1.232 11.499 28.368 132 HD22 LEU 56 2HD2 LEU 56 -0.380 12.611 27.270 133 HD23 LEU 56 3HD2 LEU 56 -2.146 12.727 27.461 134 H ASP 57 H ASP 57 -1.668 15.094 24.359 135 HA ASP 57 HA ASP 57 -2.819 15.338 21.662 136 HB2 ASP 57 1HB ASP 57 -2.773 17.295 23.188 137 HB3 ASP 57 2HB ASP 57 -1.016 17.222 23.237 138 H VAL 58 H VAL 58 -1.868 14.272 20.072 139 HA VAL 58 HA VAL 58 1.039 13.748 20.233 140 HB VAL 58 HB VAL 58 -1.071 12.706 18.295 141 HG11 VAL 58 1HG1 VAL 58 0.621 11.057 17.659 142 HG12 VAL 58 2HG1 VAL 58 1.141 12.719 17.296 143 HG13 VAL 58 3HG1 VAL 58 1.805 11.868 18.711 144 HG21 VAL 58 1HG2 VAL 58 -0.864 10.612 19.598 145 HG22 VAL 58 2HG2 VAL 58 0.271 11.417 20.708 146 HG23 VAL 58 3HG2 VAL 58 -1.423 11.955 20.623 147 H SER 59 H SER 59 2.514 14.777 19.066 148 HA SER 59 HA SER 59 1.869 15.727 16.377 149 HB2 SER 59 1HB SER 59 1.132 17.642 17.714 150 HB3 SER 59 2HB SER 59 2.673 17.682 18.557 151 HG SER 59 HG SER 59 2.638 17.752 15.780 152 H VAL 60 H VAL 60 3.501 15.102 15.172 153 HA VAL 60 HA VAL 60 6.164 14.797 16.478 154 HB VAL 60 HB VAL 60 5.034 13.500 13.960 155 HG11 VAL 60 1HG1 VAL 60 7.057 12.124 13.991 156 HG12 VAL 60 2HG1 VAL 60 7.428 13.850 13.770 157 HG13 VAL 60 3HG1 VAL 60 7.685 13.081 15.354 158 HG21 VAL 60 1HG2 VAL 60 5.080 11.437 15.325 159 HG22 VAL 60 2HG2 VAL 60 5.642 12.379 16.726 160 HG23 VAL 60 3HG2 VAL 60 4.020 12.667 16.052 161 H GLY 61 H GLY 61 7.652 16.253 16.029 162 HA2 GLY 61 1HA GLY 61 9.026 17.644 14.759 163 HA3 GLY 61 2HA GLY 61 8.205 17.095 13.310 164 H SER 62 H SER 62 7.009 18.552 12.262 165 HA SER 62 HA SER 62 5.969 20.884 13.820 166 HB2 SER 62 1HB SER 62 6.091 22.164 11.736 167 HB3 SER 62 2HB SER 62 7.666 21.517 12.166 168 HG SER 62 HG SER 62 5.916 20.120 10.491 169 H THR 63 H THR 63 4.928 18.053 12.825 170 HA THR 63 HA THR 63 2.465 19.059 11.483 171 HB THR 63 HB THR 63 3.582 16.230 11.694 172 HG1 THR 63 HG1 THR 63 4.593 16.802 9.937 173 HG21 THR 63 1HG2 THR 63 1.780 15.642 10.121 174 HG22 THR 63 2HG2 THR 63 1.112 16.260 11.650 175 HG23 THR 63 3HG2 THR 63 1.152 17.303 10.210 176 H SER 64 H SER 64 0.649 19.236 12.568 177 HA SER 64 HA SER 64 0.383 18.077 15.242 178 HB2 SER 64 1HB SER 64 -0.563 20.266 14.827 179 HB3 SER 64 2HB SER 64 -1.507 19.661 13.475 180 HG SER 64 HG SER 64 -1.966 18.167 15.616 181 H LEU 65 H LEU 65 -0.474 16.194 15.765 182 HA LEU 65 HA LEU 65 -1.841 14.674 13.585 183 HB2 LEU 65 1HB LEU 65 -0.209 13.621 15.924 184 HB3 LEU 65 2HB LEU 65 -0.993 12.636 14.685 185 HG LEU 65 HG LEU 65 1.265 14.606 14.176 186 HD11 LEU 65 1HD1 LEU 65 2.632 12.590 13.871 187 HD12 LEU 65 2HD1 LEU 65 1.983 12.700 15.524 188 HD13 LEU 65 3HD1 LEU 65 1.249 11.579 14.352 189 HD21 LEU 65 1HD2 LEU 65 1.313 13.527 11.953 190 HD22 LEU 65 2HD2 LEU 65 -0.090 12.530 12.406 191 HD23 LEU 65 3HD2 LEU 65 -0.264 14.295 12.258 192 H ASN 66 H ASN 66 -3.080 12.708 14.657 193 HA ASN 66 HA ASN 66 -5.259 14.029 16.068 194 HB2 ASN 66 1HB ASN 66 -4.851 11.157 15.173 195 HB3 ASN 66 2HB ASN 66 -6.319 11.750 15.938 196 HD21 ASN 66 1HD2 ASN 66 -6.392 11.842 12.133 197 HD22 ASN 66 2HD2 ASN 66 -5.784 10.652 13.234 198 H ASP 67 H ASP 67 -6.095 13.610 18.076 199 HA ASP 67 HA ASP 67 -4.168 12.925 20.112 200 HB2 ASP 67 1HB ASP 67 -7.177 13.369 20.226 201 HB3 ASP 67 2HB ASP 67 -6.179 13.091 21.646 202 H VAL 68 H VAL 68 -4.314 11.237 21.671 203 HA VAL 68 HA VAL 68 -5.504 8.753 20.508 204 HB VAL 68 HB VAL 68 -3.017 9.075 22.243 205 HG11 VAL 68 1HG1 VAL 68 -2.692 6.677 21.886 206 HG12 VAL 68 2HG1 VAL 68 -4.198 7.020 22.770 207 HG13 VAL 68 3HG1 VAL 68 -4.256 6.591 21.043 208 HG21 VAL 68 1HG2 VAL 68 -1.829 8.296 20.217 209 HG22 VAL 68 2HG2 VAL 68 -3.371 8.267 19.327 210 HG23 VAL 68 3HG2 VAL 68 -2.706 9.814 19.906 211 H ALA 69 H ALA 69 -6.794 7.511 21.735 212 HA ALA 69 HA ALA 69 -7.916 8.749 24.089 213 HB1 ALA 69 1HB ALA 69 -9.383 6.758 24.150 214 HB2 ALA 69 2HB ALA 69 -9.306 7.473 22.522 215 HB3 ALA 69 3HB ALA 69 -8.385 5.996 22.889 216 HA PRO 70 HA PRO 70 -5.783 7.095 27.460 217 HB2 PRO 70 1HB PRO 70 -8.441 5.923 28.372 218 HB3 PRO 70 2HB PRO 70 -7.270 6.870 29.298 219 HG2 PRO 70 1HG PRO 70 -9.449 8.102 28.403 220 HG3 PRO 70 2HG PRO 70 -7.891 8.921 28.257 221 HD2 PRO 70 1HD PRO 70 -9.471 7.411 26.140 222 HD3 PRO 70 2HD PRO 70 -8.568 8.971 25.992 223 H LEU 71 H LEU 71 -4.590 5.283 27.718 224 HA LEU 71 HA LEU 71 -3.828 3.136 27.364 225 HB2 LEU 71 1HB LEU 71 -6.733 2.433 27.917 226 HB3 LEU 71 2HB LEU 71 -5.358 1.330 28.025 227 HG LEU 71 HG LEU 71 -5.830 3.751 29.800 228 HD11 LEU 71 1HD1 LEU 71 -6.251 2.068 31.537 229 HD12 LEU 71 2HD1 LEU 71 -7.418 1.939 30.199 230 HD13 LEU 71 3HD1 LEU 71 -6.077 0.775 30.325 231 HD21 LEU 71 1HD2 LEU 71 -3.912 2.853 31.074 232 HD22 LEU 71 2HD2 LEU 71 -3.704 1.570 29.856 233 HD23 LEU 71 3HD2 LEU 71 -3.435 3.273 29.411 234 H GLY 72 H GLY 72 -4.703 4.601 25.025 235 HA2 GLY 72 1HA GLY 72 -5.406 2.265 23.278 236 HA3 GLY 72 2HA GLY 72 -5.973 3.892 22.955 237 H SER 73 H SER 73 -4.919 3.493 20.844 238 HA SER 73 HA SER 73 -2.323 4.797 20.820 239 HB2 SER 73 1HB SER 73 -1.060 3.053 19.739 240 HB3 SER 73 2HB SER 73 -1.691 2.423 21.254 241 HG SER 73 HG SER 73 -2.820 2.081 18.697 242 H SER 74 H SER 74 -1.605 5.351 18.674 243 HA SER 74 HA SER 74 -3.507 4.789 16.479 244 HB2 SER 74 1HB SER 74 -4.329 6.876 17.482 245 HB3 SER 74 2HB SER 74 -2.730 7.592 17.348 246 HG SER 74 HG SER 74 -2.959 7.014 15.043 247 H ASP 75 H ASP 75 -2.504 4.395 14.632 248 HA ASP 75 HA ASP 75 0.421 4.723 14.556 249 HB2 ASP 75 1HB ASP 75 -1.560 3.352 12.702 250 HB3 ASP 75 2HB ASP 75 0.159 3.467 12.353 251 H PHE 76 H PHE 76 1.531 6.156 13.401 252 HA PHE 76 HA PHE 76 0.050 7.700 11.317 253 HB2 PHE 76 1HB PHE 76 2.109 8.808 13.268 254 HB3 PHE 76 2HB PHE 76 1.357 9.705 11.958 255 HD1 PHE 76 HD1 PHE 76 1.054 8.578 15.358 256 HD2 PHE 76 HD2 PHE 76 -1.138 10.095 12.020 257 HE1 PHE 76 HE1 PHE 76 -0.792 9.227 16.868 258 HE2 PHE 76 HE2 PHE 76 -2.985 10.748 13.527 259 HZ PHE 76 HZ PHE 76 -2.812 10.312 15.952 260 H LYS 77 H LYS 77 1.462 8.723 9.706 261 HA LYS 77 HA LYS 77 4.051 7.325 9.337 262 HB2 LYS 77 1HB LYS 77 3.489 6.614 7.077 263 HB3 LYS 77 2HB LYS 77 2.337 5.922 8.210 264 HG2 LYS 77 1HG LYS 77 0.702 7.690 7.601 265 HG3 LYS 77 2HG LYS 77 1.859 8.321 6.420 266 HD2 LYS 77 1HD LYS 77 1.856 6.122 5.262 267 HD3 LYS 77 2HD LYS 77 0.662 5.525 6.425 268 HE2 LYS 77 1HE LYS 77 -0.913 7.299 5.707 269 HE3 LYS 77 2HE LYS 77 0.273 7.874 4.533 270 HZ1 LYS 77 1HZ LYS 77 -1.337 6.433 3.524 271 HZ2 LYS 77 2HZ LYS 77 0.155 5.735 3.452 272 HZ3 LYS 77 3HZ LYS 77 -0.955 5.198 4.547 273 H PHE 78 H PHE 78 5.532 8.376 8.058 274 HA PHE 78 HA PHE 78 4.646 10.960 6.860 275 HB2 PHE 78 1HB PHE 78 7.147 10.495 8.533 276 HB3 PHE 78 2HB PHE 78 6.846 11.942 7.584 277 HD1 PHE 78 HD1 PHE 78 5.955 10.070 10.590 278 HD2 PHE 78 HD2 PHE 78 5.121 13.541 8.243 279 HE1 PHE 78 HE1 PHE 78 4.731 11.061 12.495 280 HE2 PHE 78 HE2 PHE 78 3.898 14.538 10.147 281 HZ PHE 78 HZ PHE 78 3.702 13.296 12.274 282 H LEU 79 H LEU 79 5.505 11.479 4.921 283 HA LEU 79 HA LEU 79 6.760 9.358 3.413 284 HB2 LEU 79 1HB LEU 79 5.219 10.924 2.352 285 HB3 LEU 79 2HB LEU 79 6.265 12.285 2.765 286 HG LEU 79 HG LEU 79 8.006 11.400 1.241 287 HD11 LEU 79 1HD1 LEU 79 7.456 9.536 -0.259 288 HD12 LEU 79 2HD1 LEU 79 7.466 9.027 1.446 289 HD13 LEU 79 3HD1 LEU 79 5.920 9.294 0.606 290 HD21 LEU 79 1HD2 LEU 79 6.783 11.881 -0.852 291 HD22 LEU 79 2HD2 LEU 79 5.236 11.671 0.004 292 HD23 LEU 79 3HD2 LEU 79 6.317 13.016 0.438 293 HA PRO 80 HA PRO 80 10.611 12.040 3.671 294 HB2 PRO 80 1HB PRO 80 10.739 14.318 5.107 295 HB3 PRO 80 2HB PRO 80 9.898 14.297 3.552 296 HG2 PRO 80 1HG PRO 80 8.726 14.088 6.361 297 HG3 PRO 80 2HG PRO 80 8.212 15.140 5.038 298 HD2 PRO 80 1HD PRO 80 7.015 12.707 5.572 299 HD3 PRO 80 2HD PRO 80 7.085 13.428 3.914 300 HA PRO 81 HA PRO 81 11.542 10.092 7.606 301 HB2 PRO 81 1HB PRO 81 13.965 9.062 6.923 302 HB3 PRO 81 2HB PRO 81 12.465 8.353 6.311 303 HG2 PRO 81 1HG PRO 81 14.345 10.324 4.942 304 HG3 PRO 81 2HG PRO 81 13.660 8.833 4.288 305 HD2 PRO 81 1HD PRO 81 12.545 11.293 3.796 306 HD3 PRO 81 2HD PRO 81 11.550 9.786 3.911 307 H GLY 82 H GLY 82 13.302 10.385 9.207 308 HA2 GLY 82 1HA GLY 82 15.577 11.747 9.296 309 HA3 GLY 82 2HA GLY 82 14.503 13.101 9.001 310 H SER 83 H SER 83 15.667 13.585 11.175 311 HA SER 83 HA SER 83 14.476 12.240 13.498 312 HB2 SER 83 1HB SER 83 16.793 12.927 13.640 313 HB3 SER 83 2HB SER 83 16.384 14.581 13.215 314 HG SER 83 HG SER 83 14.857 14.070 15.188 315 H TYR 84 H TYR 84 12.691 12.811 14.507 316 HA TYR 84 HA TYR 84 11.740 15.623 14.208 317 HB2 TYR 84 1HB TYR 84 10.023 13.111 14.060 318 HB3 TYR 84 2HB TYR 84 9.406 14.757 14.102 319 HD1 TYR 84 HD1 TYR 84 10.785 12.124 12.053 320 HD2 TYR 84 HD2 TYR 84 9.928 16.325 12.205 321 HE1 TYR 84 HE1 TYR 84 10.945 12.246 9.589 322 HE2 TYR 84 HE2 TYR 84 10.088 16.447 9.743 323 HH TYR 84 HH TYR 84 10.493 13.551 7.779 324 H THR 85 H THR 85 10.424 16.424 15.902 325 HA THR 85 HA THR 85 10.988 15.143 18.501 326 HB THR 85 HB THR 85 9.624 17.788 17.835 327 HG1 THR 85 HG1 THR 85 11.654 18.607 18.625 328 HG21 THR 85 1HG2 THR 85 9.917 18.277 20.231 329 HG22 THR 85 2HG2 THR 85 8.876 16.852 19.996 330 HG23 THR 85 3HG2 THR 85 10.572 16.643 20.489 331 H ALA 86 H ALA 86 9.715 13.436 18.869 332 HA ALA 86 HA ALA 86 6.915 13.491 17.990 333 HB1 ALA 86 1HB ALA 86 6.874 11.150 18.787 334 HB2 ALA 86 2HB ALA 86 8.235 11.446 17.680 335 HB3 ALA 86 3HB ALA 86 8.518 11.350 19.434 336 H GLN 87 H GLN 87 6.119 15.172 19.316 337 HA GLN 87 HA GLN 87 6.056 14.770 22.212 338 HB2 GLN 87 1HB GLN 87 6.065 17.045 21.210 339 HB3 GLN 87 2HB GLN 87 4.516 16.717 20.448 340 HG2 GLN 87 1HG GLN 87 3.441 16.516 22.617 341 HG3 GLN 87 2HG GLN 87 5.013 16.748 23.432 342 HE21 GLN 87 1HE2 GLN 87 3.509 20.025 23.651 343 HE22 GLN 87 2HE2 GLN 87 3.423 18.461 24.389 344 H VAL 88 H VAL 88 4.720 13.523 23.287 345 HA VAL 88 HA VAL 88 2.017 13.036 22.114 346 HB VAL 88 HB VAL 88 3.685 11.032 23.692 347 HG11 VAL 88 1HG1 VAL 88 1.917 9.445 23.105 348 HG12 VAL 88 2HG1 VAL 88 1.302 10.796 24.086 349 HG13 VAL 88 3HG1 VAL 88 0.997 10.758 22.332 350 HG21 VAL 88 1HG2 VAL 88 3.817 9.801 21.549 351 HG22 VAL 88 2HG2 VAL 88 2.960 11.130 20.735 352 HG23 VAL 88 3HG2 VAL 88 4.580 11.403 21.419 353 H GLY 89 H GLY 89 1.253 14.791 23.391 354 HA2 GLY 89 1HA GLY 89 0.059 15.553 25.233 355 HA3 GLY 89 2HA GLY 89 0.206 13.953 25.934 356 H GLN 90 H GLN 90 1.529 13.670 27.640 357 HA GLN 90 HA GLN 90 2.881 16.073 28.667 358 HB2 GLN 90 1HB GLN 90 2.467 13.322 29.905 359 HB3 GLN 90 2HB GLN 90 3.180 14.702 30.729 360 HG2 GLN 90 1HG GLN 90 0.358 14.562 29.644 361 HG3 GLN 90 2HG GLN 90 0.850 14.386 31.352 362 HE21 GLN 90 1HE2 GLN 90 -0.112 17.967 30.036 363 HE22 GLN 90 2HE2 GLN 90 -0.644 16.446 29.398 364 H GLN 91 H GLN 91 3.706 13.352 26.832 365 HA GLN 91 HA GLN 91 6.551 13.522 27.714 366 HB2 GLN 91 1HB GLN 91 5.145 11.364 26.087 367 HB3 GLN 91 2HB GLN 91 6.839 11.346 26.557 368 HG2 GLN 91 1HG GLN 91 4.507 11.340 28.484 369 HG3 GLN 91 2HG GLN 91 5.444 9.908 27.970 370 HE21 GLN 91 1HE2 GLN 91 6.619 11.926 31.157 371 HE22 GLN 91 2HE2 GLN 91 5.023 11.911 30.483 372 H SER 92 H SER 92 8.221 13.528 26.124 373 HA SER 92 HA SER 92 7.499 14.004 23.330 374 HB2 SER 92 1HB SER 92 7.187 16.246 24.255 375 HB3 SER 92 2HB SER 92 8.778 16.194 24.998 376 HG SER 92 HG SER 92 9.271 15.605 22.591 377 H LEU 93 H LEU 93 8.876 12.785 22.265 378 HA LEU 93 HA LEU 93 11.675 12.608 23.297 379 HB2 LEU 93 1HB LEU 93 9.893 10.429 22.165 380 HB3 LEU 93 2HB LEU 93 11.640 10.251 22.352 381 HG LEU 93 HG LEU 93 11.075 10.911 24.878 382 HD11 LEU 93 1HD1 LEU 93 8.922 9.946 25.557 383 HD12 LEU 93 2HD1 LEU 93 8.706 11.323 24.450 384 HD13 LEU 93 3HD1 LEU 93 8.513 9.659 23.849 385 HD21 LEU 93 1HD2 LEU 93 10.953 8.486 25.343 386 HD22 LEU 93 2HD2 LEU 93 10.572 8.177 23.632 387 HD23 LEU 93 3HD2 LEU 93 12.163 8.836 24.084 388 HA PRO 94 HA PRO 94 12.736 13.788 19.224 389 HB2 PRO 94 1HB PRO 94 15.428 13.365 19.298 390 HB3 PRO 94 2HB PRO 94 14.673 14.651 20.246 391 HG2 PRO 94 1HG PRO 94 15.494 11.853 21.136 392 HG3 PRO 94 2HG PRO 94 15.832 13.395 21.928 393 HD2 PRO 94 1HD PRO 94 13.738 11.802 22.692 394 HD3 PRO 94 2HD PRO 94 13.656 13.607 22.788 395 H VAL 95 H VAL 95 11.416 11.716 18.701 396 HA VAL 95 HA VAL 95 12.892 9.265 18.224 397 HB VAL 95 HB VAL 95 10.122 10.147 17.304 398 HG11 VAL 95 1HG1 VAL 95 9.700 7.770 16.910 399 HG12 VAL 95 2HG1 VAL 95 10.998 8.397 15.869 400 HG13 VAL 95 3HG1 VAL 95 11.398 7.405 17.291 401 HG21 VAL 95 1HG2 VAL 95 9.348 8.722 19.173 402 HG22 VAL 95 2HG2 VAL 95 11.038 8.394 19.622 403 HG23 VAL 95 3HG2 VAL 95 10.385 10.044 19.760 404 H LYS 96 H LYS 96 14.289 8.994 16.633 405 HA LYS 96 HA LYS 96 14.046 10.519 14.135 406 HB2 LYS 96 1HB LYS 96 16.270 10.049 15.167 407 HB3 LYS 96 2HB LYS 96 16.008 8.328 14.923 408 HG2 LYS 96 1HG LYS 96 15.974 8.645 12.495 409 HG3 LYS 96 2HG LYS 96 16.158 10.392 12.706 410 HD2 LYS 96 1HD LYS 96 18.334 10.026 13.831 411 HD3 LYS 96 2HD LYS 96 18.150 8.280 13.612 412 HE2 LYS 96 1HE LYS 96 18.087 8.607 11.152 413 HE3 LYS 96 2HE LYS 96 18.304 10.343 11.384 414 HZ1 LYS 96 1HZ LYS 96 20.369 9.252 10.900 415 HZ2 LYS 96 2HZ LYS 96 20.417 9.881 12.424 416 HZ3 LYS 96 3HZ LYS 96 20.214 8.259 12.207 417 H LEU 97 H LEU 97 13.100 9.897 12.334 418 HA LEU 97 HA LEU 97 12.016 7.121 12.270 419 HB2 LEU 97 1HB LEU 97 11.148 9.598 10.737 420 HB3 LEU 97 2HB LEU 97 10.375 8.011 10.658 421 HG LEU 97 HG LEU 97 10.495 9.803 13.111 422 HD11 LEU 97 1HD1 LEU 97 8.089 10.072 12.708 423 HD12 LEU 97 2HD1 LEU 97 9.056 10.683 11.346 424 HD13 LEU 97 3HD1 LEU 97 8.230 9.111 11.218 425 HD21 LEU 97 1HD2 LEU 97 8.937 8.140 14.067 426 HD22 LEU 97 2HD2 LEU 97 9.090 7.150 12.595 427 HD23 LEU 97 3HD2 LEU 97 10.498 7.391 13.655 428 H ASP 98 H ASP 98 13.717 5.993 11.395 429 HA ASP 98 HA ASP 98 15.029 6.790 8.950 430 HB2 ASP 98 1HB ASP 98 14.780 4.125 10.390 431 HB3 ASP 98 2HB ASP 98 15.689 4.315 8.897 432 HA PRO 99 HA PRO 99 12.070 5.717 5.995 433 HB2 PRO 99 1HB PRO 99 13.672 5.014 3.854 434 HB3 PRO 99 2HB PRO 99 13.472 6.685 4.400 435 HG2 PRO 99 1HG PRO 99 15.692 4.707 5.072 436 HG3 PRO 99 2HG PRO 99 15.844 6.390 4.556 437 HD2 PRO 99 1HD PRO 99 16.001 5.735 7.180 438 HD3 PRO 99 2HD PRO 99 15.171 7.255 6.654 439 H ASP 100 H ASP 100 10.944 3.945 5.212 440 HA ASP 100 HA ASP 100 10.297 1.745 5.039 441 HB2 ASP 100 1HB ASP 100 13.279 1.248 4.670 442 HB3 ASP 100 2HB ASP 100 11.999 0.101 4.298 443 H SER 101 H SER 101 10.427 2.651 7.604 444 HA SER 101 HA SER 101 11.042 0.170 9.063 445 HB2 SER 101 1HB SER 101 13.166 1.384 9.176 446 HB3 SER 101 2HB SER 101 12.344 2.822 9.760 447 HG SER 101 HG SER 101 11.684 1.643 11.555 448 H TYR 102 H TYR 102 9.847 -0.110 10.898 449 HA TYR 102 HA TYR 102 7.789 1.981 11.404 450 HB2 TYR 102 1HB TYR 102 7.870 -0.972 12.141 451 HB3 TYR 102 2HB TYR 102 6.589 0.134 12.617 452 HD1 TYR 102 HD1 TYR 102 8.368 -1.113 9.569 453 HD2 TYR 102 HD2 TYR 102 4.722 0.376 11.273 454 HE1 TYR 102 HE1 TYR 102 7.189 -1.563 7.443 455 HE2 TYR 102 HE2 TYR 102 3.545 -0.074 9.148 456 HH TYR 102 HH TYR 102 3.717 -0.832 7.073 457 H TYR 103 H TYR 103 7.292 2.695 13.470 458 HA TYR 103 HA TYR 103 9.203 1.898 15.615 459 HB2 TYR 103 1HB TYR 103 8.374 4.734 14.884 460 HB3 TYR 103 2HB TYR 103 9.196 4.304 16.377 461 HD1 TYR 103 HD1 TYR 103 9.523 4.504 12.705 462 HD2 TYR 103 HD2 TYR 103 11.537 3.812 16.429 463 HE1 TYR 103 HE1 TYR 103 11.706 4.713 11.563 464 HE2 TYR 103 HE2 TYR 103 13.720 4.022 15.288 465 HH TYR 103 HH TYR 103 14.765 4.395 13.371 466 H THR 104 H THR 104 8.400 1.748 17.654 467 HA THR 104 HA THR 104 5.559 2.600 18.025 468 HB THR 104 HB THR 104 6.961 0.210 19.301 469 HG1 THR 104 HG1 THR 104 6.150 -0.808 17.645 470 HG21 THR 104 1HG2 THR 104 4.755 -0.254 20.296 471 HG22 THR 104 2HG2 THR 104 5.379 1.322 20.839 472 HG23 THR 104 3HG2 THR 104 4.115 1.248 19.590 473 H LEU 105 H LEU 105 5.315 4.196 19.393 474 HA LEU 105 HA LEU 105 7.508 4.679 21.362 475 HB2 LEU 105 1HB LEU 105 7.256 6.441 19.664 476 HB3 LEU 105 2HB LEU 105 5.551 6.625 20.088 477 HG LEU 105 HG LEU 105 6.239 7.388 22.366 478 HD11 LEU 105 1HD1 LEU 105 8.593 7.976 22.741 479 HD12 LEU 105 2HD1 LEU 105 8.385 6.229 22.476 480 HD13 LEU 105 3HD1 LEU 105 9.022 7.257 21.171 481 HD21 LEU 105 1HD2 LEU 105 7.048 9.597 21.605 482 HD22 LEU 105 2HD2 LEU 105 7.456 8.901 20.018 483 HD23 LEU 105 3HD2 LEU 105 5.757 8.988 20.542 484 H VAL 106 H VAL 106 6.970 3.955 23.303 485 HA VAL 106 HA VAL 106 4.194 4.098 24.251 486 HB VAL 106 HB VAL 106 6.764 3.251 25.656 487 HG11 VAL 106 1HG1 VAL 106 5.293 2.269 27.346 488 HG12 VAL 106 2HG1 VAL 106 5.113 4.036 27.252 489 HG13 VAL 106 3HG1 VAL 106 3.880 2.976 26.528 490 HG21 VAL 106 1HG2 VAL 106 5.875 0.967 25.316 491 HG22 VAL 106 2HG2 VAL 106 4.486 1.640 24.432 492 HG23 VAL 106 3HG2 VAL 106 6.128 1.797 23.763 493 H SER 107 H SER 107 3.383 5.953 24.935 494 HA SER 107 HA SER 107 5.184 7.841 26.377 495 HB2 SER 107 1HB SER 107 4.072 8.824 24.459 496 HB3 SER 107 2HB SER 107 2.507 8.248 25.011 497 HG SER 107 HG SER 107 2.657 10.299 25.640 498 H GLN 108 H GLN 108 5.174 7.523 28.489 499 HA GLN 108 HA GLN 108 2.539 7.001 29.799 500 HB2 GLN 108 1HB GLN 108 4.236 5.188 30.079 501 HB3 GLN 108 2HB GLN 108 5.329 6.344 30.824 502 HG2 GLN 108 1HG GLN 108 3.762 6.690 32.662 503 HG3 GLN 108 2HG GLN 108 2.610 5.562 31.894 504 HE21 GLN 108 1HE2 GLN 108 3.924 2.992 33.827 505 HE22 GLN 108 2HE2 GLN 108 2.546 3.918 33.332 506 HA PRO 109 HA PRO 109 3.214 11.243 31.048 507 HB2 PRO 109 1HB PRO 109 0.541 10.587 32.337 508 HB3 PRO 109 2HB PRO 109 1.012 12.026 31.425 509 HG2 PRO 109 1HG PRO 109 -0.485 10.196 30.204 510 HG3 PRO 109 2HG PRO 109 0.865 10.917 29.323 511 HD2 PRO 109 1HD PRO 109 0.720 8.222 30.738 512 HD3 PRO 109 2HD PRO 109 1.422 8.622 29.119 513 H GLY 110 H GLY 110 4.598 11.498 32.698 514 HA2 GLY 110 1HA GLY 110 5.214 11.759 34.944 515 HA3 GLY 110 2HA GLY 110 3.712 10.999 35.435 516 H GLY 111 H GLY 111 5.378 9.210 33.054 517 HA2 GLY 111 1HA GLY 111 6.614 7.455 35.148 518 HA3 GLY 111 2HA GLY 111 5.670 6.793 33.826 519 H LYS 112 H LYS 112 7.093 5.730 32.576 520 HA LYS 112 HA LYS 112 9.441 7.272 31.568 521 HB2 LYS 112 1HB LYS 112 10.206 5.645 33.276 522 HB3 LYS 112 2HB LYS 112 9.429 4.340 32.390 523 HG2 LYS 112 1HG LYS 112 10.940 4.710 30.485 524 HG3 LYS 112 2HG LYS 112 11.710 6.047 31.352 525 HD2 LYS 112 1HD LYS 112 12.410 4.500 33.140 526 HD3 LYS 112 2HD LYS 112 11.611 3.160 32.306 527 HE2 LYS 112 1HE LYS 112 13.110 3.478 30.362 528 HE3 LYS 112 2HE LYS 112 13.909 4.813 31.195 529 HZ1 LYS 112 1HZ LYS 112 15.126 2.774 31.426 530 HZ2 LYS 112 2HZ LYS 112 14.581 3.268 32.904 531 HZ3 LYS 112 3HZ LYS 112 13.836 2.021 32.124 532 HA PRO 113 HA PRO 113 7.476 5.966 27.834 533 HB2 PRO 113 1HB PRO 113 8.856 7.594 26.131 534 HB3 PRO 113 2HB PRO 113 7.604 8.228 27.207 535 HG2 PRO 113 1HG PRO 113 10.628 8.205 27.599 536 HG3 PRO 113 2HG PRO 113 9.508 9.555 27.808 537 HD2 PRO 113 1HD PRO 113 10.353 8.042 29.926 538 HD3 PRO 113 2HD PRO 113 8.695 8.763 29.867 539 H GLN 114 H GLN 114 8.179 4.867 25.866 540 HA GLN 114 HA GLN 114 10.994 3.961 25.805 541 HB2 GLN 114 1HB GLN 114 9.889 2.310 27.252 542 HB3 GLN 114 2HB GLN 114 8.627 2.063 26.054 543 HG2 GLN 114 1HG GLN 114 10.138 0.238 25.908 544 HG3 GLN 114 2HG GLN 114 10.395 1.256 24.464 545 HE21 GLN 114 1HE2 GLN 114 13.792 1.555 25.021 546 HE22 GLN 114 2HE2 GLN 114 12.447 1.531 23.929 547 H LEU 115 H LEU 115 11.690 4.201 23.818 548 HA LEU 115 HA LEU 115 9.769 3.962 21.571 549 HB2 LEU 115 1HB LEU 115 11.218 5.922 21.567 550 HB3 LEU 115 2HB LEU 115 12.656 4.904 21.696 551 HG LEU 115 HG LEU 115 12.080 3.944 19.431 552 HD11 LEU 115 1HD1 LEU 115 10.491 5.203 18.048 553 HD12 LEU 115 2HD1 LEU 115 9.693 4.460 19.455 554 HD13 LEU 115 3HD1 LEU 115 10.058 6.203 19.454 555 HD21 LEU 115 1HD2 LEU 115 12.882 5.944 18.222 556 HD22 LEU 115 2HD2 LEU 115 12.483 6.957 19.631 557 HD23 LEU 115 3HD2 LEU 115 13.763 5.726 19.752 558 H VAL 116 H VAL 116 9.652 2.255 20.289 559 HA VAL 116 HA VAL 116 11.900 0.286 20.400 560 HB VAL 116 HB VAL 116 8.934 -0.242 19.924 561 HG11 VAL 116 1HG1 VAL 116 9.556 -2.608 19.972 562 HG12 VAL 116 2HG1 VAL 116 10.333 -1.741 18.626 563 HG13 VAL 116 3HG1 VAL 116 11.273 -2.153 20.081 564 HG21 VAL 116 1HG2 VAL 116 9.060 -1.423 22.095 565 HG22 VAL 116 2HG2 VAL 116 10.761 -0.926 22.264 566 HG23 VAL 116 3HG2 VAL 116 9.470 0.300 22.275 567 H ALA 117 H ALA 117 12.999 0.088 18.584 568 HA ALA 117 HA ALA 117 11.878 1.088 16.063 569 HB1 ALA 117 1HB ALA 117 14.103 0.528 15.136 570 HB2 ALA 117 2HB ALA 117 14.232 1.532 16.601 571 HB3 ALA 117 3HB ALA 117 14.554 -0.215 16.688 572 H GLU 118 H GLU 118 11.236 -0.056 14.331 573 HA GLU 118 HA GLU 118 11.415 -3.019 14.473 574 HB2 GLU 118 1HB GLU 118 8.819 -1.491 14.019 575 HB3 GLU 118 2HB GLU 118 9.014 -3.235 13.910 576 HG2 GLU 118 1HG GLU 118 9.585 -3.336 16.293 577 HG3 GLU 118 2HG GLU 118 9.432 -1.585 16.412 578 HA PRO 119 HA PRO 119 12.520 -1.224 10.355 579 HB2 PRO 119 1HB PRO 119 14.199 -3.752 10.579 580 HB3 PRO 119 2HB PRO 119 14.632 -2.192 9.869 581 HG2 PRO 119 1HG PRO 119 15.560 -2.764 12.293 582 HG3 PRO 119 2HG PRO 119 14.919 -1.146 11.991 583 HD2 PRO 119 1HD PRO 119 13.587 -3.512 13.368 584 HD3 PRO 119 2HD PRO 119 13.575 -1.764 13.837 Start of MODEL 2 1 H GLN 38 1H GLN 38 -0.488 -0.872 5.410 2 HA GLN 38 HA GLN 38 1.168 0.429 6.487 3 HB2 GLN 38 1HB GLN 38 2.106 -0.920 3.923 4 HB3 GLN 38 2HB GLN 38 3.124 -0.537 5.303 5 HG2 GLN 38 1HG GLN 38 0.754 -2.416 5.366 6 HG3 GLN 38 2HG GLN 38 2.469 -2.898 5.229 7 HE21 GLN 38 1HE2 GLN 38 0.823 -2.435 8.821 8 HE22 GLN 38 2HE2 GLN 38 -0.048 -2.632 7.336 9 H ALA 39 H ALA 39 3.336 1.536 5.837 10 HA ALA 39 HA ALA 39 2.577 4.046 4.568 11 HB1 ALA 39 1HB ALA 39 4.878 4.750 5.144 12 HB2 ALA 39 2HB ALA 39 4.040 4.031 6.539 13 HB3 ALA 39 3HB ALA 39 5.252 3.085 5.647 14 HA PRO 40 HA PRO 40 3.843 3.375 0.458 15 HB2 PRO 40 1HB PRO 40 5.135 6.110 0.722 16 HB3 PRO 40 2HB PRO 40 4.036 5.516 -0.529 17 HG2 PRO 40 1HG PRO 40 3.060 7.128 1.354 18 HG3 PRO 40 2HG PRO 40 2.116 5.718 0.862 19 HD2 PRO 40 1HD PRO 40 3.897 6.077 3.307 20 HD3 PRO 40 2HD PRO 40 2.259 5.318 3.193 21 H LYS 41 H LYS 41 5.722 2.881 -0.753 22 HA LYS 41 HA LYS 41 7.964 1.960 0.708 23 HB2 LYS 41 1HB LYS 41 7.336 1.096 -1.521 24 HB3 LYS 41 2HB LYS 41 7.753 2.640 -2.253 25 HG2 LYS 41 1HG LYS 41 9.558 1.153 -2.670 26 HG3 LYS 41 2HG LYS 41 10.117 2.300 -1.444 27 HD2 LYS 41 1HD LYS 41 9.615 0.637 0.328 28 HD3 LYS 41 2HD LYS 41 9.086 -0.511 -0.910 29 HE2 LYS 41 1HE LYS 41 11.357 -1.052 -0.314 30 HE3 LYS 41 2HE LYS 41 11.372 -0.367 -1.941 31 HZ1 LYS 41 1HZ LYS 41 13.113 0.540 -0.586 32 HZ2 LYS 41 2HZ LYS 41 12.043 1.730 -0.989 33 HZ3 LYS 41 3HZ LYS 41 12.031 1.091 0.531 34 H GLY 42 H GLY 42 9.526 2.994 1.684 35 HA2 GLY 42 1HA GLY 42 11.463 4.465 1.541 36 HA3 GLY 42 2HA GLY 42 10.561 5.516 0.464 37 H SER 43 H SER 43 8.175 4.906 2.427 38 HA SER 43 HA SER 43 8.734 7.288 4.087 39 HB2 SER 43 1HB SER 43 6.645 7.275 2.856 40 HB3 SER 43 2HB SER 43 6.203 5.712 3.526 41 HG SER 43 HG SER 43 6.283 6.704 5.589 42 H ALA 44 H ALA 44 8.795 7.339 6.271 43 HA ALA 44 HA ALA 44 9.220 4.825 7.666 44 HB1 ALA 44 1HB ALA 44 9.540 6.262 9.653 45 HB2 ALA 44 2HB ALA 44 10.498 6.832 8.267 46 HB3 ALA 44 3HB ALA 44 8.994 7.670 8.713 47 H PHE 45 H PHE 45 8.018 3.917 9.319 48 HA PHE 45 HA PHE 45 5.144 4.744 9.288 49 HB2 PHE 45 1HB PHE 45 5.605 2.529 8.230 50 HB3 PHE 45 2HB PHE 45 6.312 1.968 9.736 51 HD1 PHE 45 HD1 PHE 45 3.309 2.359 7.849 52 HD2 PHE 45 HD2 PHE 45 4.824 1.952 11.823 53 HE1 PHE 45 HE1 PHE 45 1.075 1.637 8.624 54 HE2 PHE 45 HE2 PHE 45 2.591 1.228 12.601 55 HZ PHE 45 HZ PHE 45 0.716 1.072 11.001 56 H VAL 46 H VAL 46 4.600 5.749 11.085 57 HA VAL 46 HA VAL 46 5.888 4.850 13.631 58 HB VAL 46 HB VAL 46 4.815 7.611 12.906 59 HG11 VAL 46 1HG1 VAL 46 5.804 8.319 15.029 60 HG12 VAL 46 2HG1 VAL 46 4.523 7.108 15.263 61 HG13 VAL 46 3HG1 VAL 46 6.233 6.632 15.392 62 HG21 VAL 46 1HG2 VAL 46 7.196 8.280 12.975 63 HG22 VAL 46 2HG2 VAL 46 7.661 6.588 13.270 64 HG23 VAL 46 3HG2 VAL 46 6.910 7.048 11.724 65 H ARG 47 H ARG 47 4.616 4.045 15.150 66 HA ARG 47 HA ARG 47 1.701 4.698 15.018 67 HB2 ARG 47 1HB ARG 47 2.054 2.362 14.435 68 HB3 ARG 47 2HB ARG 47 3.053 2.112 15.859 69 HG2 ARG 47 1HG ARG 47 1.191 2.301 17.325 70 HG3 ARG 47 2HG ARG 47 0.143 2.915 16.022 71 HD2 ARG 47 1HD ARG 47 1.435 0.205 15.962 72 HD3 ARG 47 2HD ARG 47 -0.172 0.517 16.658 73 HE ARG 47 HE ARG 47 -0.220 1.626 14.115 74 HH11 ARG 47 1HH1 ARG 47 0.300 -1.555 15.510 75 HH12 ARG 47 2HH1 ARG 47 -0.342 -2.406 14.123 76 HH21 ARG 47 1HH2 ARG 47 -1.052 0.511 12.321 77 HH22 ARG 47 2HH2 ARG 47 -1.108 -1.237 12.317 78 H ALA 48 H ALA 48 1.210 6.062 16.588 79 HA ALA 48 HA ALA 48 2.662 5.998 19.137 80 HB1 ALA 48 1HB ALA 48 1.206 7.908 19.733 81 HB2 ALA 48 2HB ALA 48 2.015 8.158 18.167 82 HB3 ALA 48 3HB ALA 48 0.303 7.681 18.218 83 H TYR 49 H TYR 49 1.691 5.718 21.187 84 HA TYR 49 HA TYR 49 -0.861 4.191 21.162 85 HB2 TYR 49 1HB TYR 49 0.926 2.508 21.094 86 HB3 TYR 49 2HB TYR 49 1.734 3.269 22.458 87 HD1 TYR 49 HD1 TYR 49 -1.519 1.693 21.498 88 HD2 TYR 49 HD2 TYR 49 1.301 2.546 24.617 89 HE1 TYR 49 HE1 TYR 49 -2.811 0.272 23.054 90 HE2 TYR 49 HE2 TYR 49 0.009 1.124 26.173 91 HH TYR 49 HH TYR 49 -2.972 -0.510 25.128 92 H ASN 50 H ASN 50 -2.211 4.675 22.746 93 HA ASN 50 HA ASN 50 -1.273 6.617 24.780 94 HB2 ASN 50 1HB ASN 50 -3.318 7.117 23.466 95 HB3 ASN 50 2HB ASN 50 -4.079 5.668 24.108 96 HD21 ASN 50 1HD2 ASN 50 -5.261 8.484 26.131 97 HD22 ASN 50 2HD2 ASN 50 -5.370 7.959 24.485 98 H ALA 51 H ALA 51 -0.226 5.578 26.354 99 HA ALA 51 HA ALA 51 -1.388 3.089 27.437 100 HB1 ALA 51 1HB ALA 51 0.707 2.960 28.746 101 HB2 ALA 51 2HB ALA 51 1.028 3.148 27.006 102 HB3 ALA 51 3HB ALA 51 1.201 4.541 28.097 103 H GLY 52 H GLY 52 -2.135 6.170 27.849 104 HA2 GLY 52 1HA GLY 52 -2.109 6.197 30.821 105 HA3 GLY 52 2HA GLY 52 -2.480 7.557 29.777 106 H ASN 53 H ASN 53 -4.330 7.782 31.278 107 HA ASN 53 HA ASN 53 -6.599 6.053 30.385 108 HB2 ASN 53 1HB ASN 53 -6.054 7.157 33.160 109 HB3 ASN 53 2HB ASN 53 -7.590 6.456 32.666 110 HD21 ASN 53 1HD2 ASN 53 -4.621 4.114 33.918 111 HD22 ASN 53 2HD2 ASN 53 -4.647 5.840 34.072 112 H SER 54 H SER 54 -5.702 8.497 29.194 113 HA SER 54 HA SER 54 -8.265 9.891 29.253 114 HB2 SER 54 1HB SER 54 -7.460 12.048 29.908 115 HB3 SER 54 2HB SER 54 -6.997 10.909 31.165 116 HG SER 54 HG SER 54 -5.418 11.970 29.098 117 H GLU 55 H GLU 55 -7.969 12.019 27.831 118 HA GLU 55 HA GLU 55 -7.349 11.184 25.214 119 HB2 GLU 55 1HB GLU 55 -8.778 13.141 25.768 120 HB3 GLU 55 2HB GLU 55 -7.363 14.019 26.326 121 HG2 GLU 55 1HG GLU 55 -6.406 13.917 24.057 122 HG3 GLU 55 2HG GLU 55 -7.835 13.049 23.500 123 H LEU 56 H LEU 56 -5.547 10.882 24.128 124 HA LEU 56 HA LEU 56 -2.987 11.295 25.391 125 HB2 LEU 56 1HB LEU 56 -3.525 9.451 23.780 126 HB3 LEU 56 2HB LEU 56 -3.600 10.650 22.485 127 HG LEU 56 HG LEU 56 -1.193 11.194 22.914 128 HD11 LEU 56 1HD1 LEU 56 0.116 9.651 24.304 129 HD12 LEU 56 2HD1 LEU 56 -1.109 10.519 25.259 130 HD13 LEU 56 3HD1 LEU 56 -1.382 8.822 24.793 131 HD21 LEU 56 1HD2 LEU 56 -0.341 9.110 21.895 132 HD22 LEU 56 2HD2 LEU 56 -1.845 8.272 22.351 133 HD23 LEU 56 3HD2 LEU 56 -1.888 9.595 21.161 134 H ASP 57 H ASP 57 -1.723 13.011 25.409 135 HA ASP 57 HA ASP 57 -2.187 15.107 23.330 136 HB2 ASP 57 1HB ASP 57 -2.641 15.841 25.666 137 HB3 ASP 57 2HB ASP 57 -0.999 15.408 26.119 138 H VAL 58 H VAL 58 -0.823 13.974 21.850 139 HA VAL 58 HA VAL 58 2.063 14.419 22.449 140 HB VAL 58 HB VAL 58 0.850 11.928 21.176 141 HG11 VAL 58 1HG1 VAL 58 3.150 11.112 21.006 142 HG12 VAL 58 2HG1 VAL 58 2.888 12.574 20.025 143 HG13 VAL 58 3HG1 VAL 58 3.750 12.687 21.579 144 HG21 VAL 58 1HG2 VAL 58 1.879 10.780 23.110 145 HG22 VAL 58 2HG2 VAL 58 2.433 12.347 23.745 146 HG23 VAL 58 3HG2 VAL 58 0.691 11.994 23.640 147 H SER 59 H SER 59 3.190 15.358 20.862 148 HA SER 59 HA SER 59 1.838 15.640 18.212 149 HB2 SER 59 1HB SER 59 2.226 17.762 19.406 150 HB3 SER 59 2HB SER 59 3.940 17.395 19.527 151 HG SER 59 HG SER 59 4.135 17.519 17.369 152 H VAL 60 H VAL 60 2.645 14.487 16.615 153 HA VAL 60 HA VAL 60 5.369 13.337 17.013 154 HB VAL 60 HB VAL 60 3.044 12.309 15.328 155 HG11 VAL 60 1HG1 VAL 60 4.385 10.276 15.098 156 HG12 VAL 60 2HG1 VAL 60 5.197 11.693 14.390 157 HG13 VAL 60 3HG1 VAL 60 5.724 11.062 15.969 158 HG21 VAL 60 1HG2 VAL 60 2.889 10.550 17.060 159 HG22 VAL 60 2HG2 VAL 60 4.179 11.352 17.988 160 HG23 VAL 60 3HG2 VAL 60 2.612 12.164 17.755 161 H GLY 61 H GLY 61 6.742 14.701 16.001 162 HA2 GLY 61 1HA GLY 61 7.935 15.499 14.174 163 HA3 GLY 61 2HA GLY 61 6.912 14.523 13.137 164 H SER 62 H SER 62 5.484 15.527 11.848 165 HA SER 62 HA SER 62 5.189 18.467 12.213 166 HB2 SER 62 1HB SER 62 4.632 18.534 9.848 167 HB3 SER 62 2HB SER 62 6.151 17.680 10.080 168 HG SER 62 HG SER 62 3.710 16.318 10.030 169 H THR 63 H THR 63 3.539 15.653 12.850 170 HA THR 63 HA THR 63 0.895 16.993 12.452 171 HB THR 63 HB THR 63 1.526 14.015 12.280 172 HG1 THR 63 HG1 THR 63 0.355 15.416 10.176 173 HG21 THR 63 1HG2 THR 63 -0.846 13.787 11.652 174 HG22 THR 63 2HG2 THR 63 -0.683 14.465 13.290 175 HG23 THR 63 3HG2 THR 63 -1.088 15.529 11.923 176 H SER 64 H SER 64 0.058 17.609 14.299 177 HA SER 64 HA SER 64 0.802 16.326 16.815 178 HB2 SER 64 1HB SER 64 -1.241 18.473 16.156 179 HB3 SER 64 2HB SER 64 -0.840 17.945 17.783 180 HG SER 64 HG SER 64 1.410 18.405 17.030 181 H LEU 65 H LEU 65 -0.491 15.139 18.188 182 HA LEU 65 HA LEU 65 -2.831 13.871 16.826 183 HB2 LEU 65 1HB LEU 65 -0.915 12.350 17.041 184 HB3 LEU 65 2HB LEU 65 -0.835 12.665 18.778 185 HG LEU 65 HG LEU 65 -3.097 11.622 19.027 186 HD11 LEU 65 1HD1 LEU 65 -3.991 10.324 17.146 187 HD12 LEU 65 2HD1 LEU 65 -3.920 12.061 16.771 188 HD13 LEU 65 3HD1 LEU 65 -2.700 10.953 16.096 189 HD21 LEU 65 1HD2 LEU 65 -2.284 9.313 18.684 190 HD22 LEU 65 2HD2 LEU 65 -0.967 9.928 17.656 191 HD23 LEU 65 3HD2 LEU 65 -1.012 10.341 19.387 192 H ASN 66 H ASN 66 -4.690 14.418 17.702 193 HA ASN 66 HA ASN 66 -4.842 14.552 20.678 194 HB2 ASN 66 1HB ASN 66 -6.086 16.491 18.702 195 HB3 ASN 66 2HB ASN 66 -6.505 16.413 20.407 196 HD21 ASN 66 1HD2 ASN 66 -3.392 18.575 19.220 197 HD22 ASN 66 2HD2 ASN 66 -4.613 17.933 18.173 198 H ASP 67 H ASP 67 -7.181 14.532 21.425 199 HA ASP 67 HA ASP 67 -9.110 13.289 21.623 200 HB2 ASP 67 1HB ASP 67 -9.599 14.761 19.566 201 HB3 ASP 67 2HB ASP 67 -9.245 13.344 18.590 202 H VAL 68 H VAL 68 -7.154 11.662 22.063 203 HA VAL 68 HA VAL 68 -7.861 9.229 20.475 204 HB VAL 68 HB VAL 68 -5.220 9.870 21.859 205 HG11 VAL 68 1HG1 VAL 68 -4.425 7.777 20.873 206 HG12 VAL 68 2HG1 VAL 68 -5.761 7.508 22.018 207 HG13 VAL 68 3HG1 VAL 68 -6.063 7.442 20.264 208 HG21 VAL 68 1HG2 VAL 68 -4.316 9.877 19.555 209 HG22 VAL 68 2HG2 VAL 68 -5.954 9.611 18.913 210 HG23 VAL 68 3HG2 VAL 68 -5.565 11.127 19.760 211 H ALA 69 H ALA 69 -8.830 7.665 21.562 212 HA ALA 69 HA ALA 69 -9.402 7.993 24.368 213 HB1 ALA 69 1HB ALA 69 -10.568 5.823 24.145 214 HB2 ALA 69 2HB ALA 69 -11.006 6.945 22.834 215 HB3 ALA 69 3HB ALA 69 -9.861 5.619 22.525 216 HA PRO 70 HA PRO 70 -6.207 5.943 26.470 217 HB2 PRO 70 1HB PRO 70 -8.424 4.288 27.740 218 HB3 PRO 70 2HB PRO 70 -7.080 5.129 28.523 219 HG2 PRO 70 1HG PRO 70 -9.483 6.265 28.598 220 HG3 PRO 70 2HG PRO 70 -8.079 7.275 28.248 221 HD2 PRO 70 1HD PRO 70 -10.132 6.111 26.327 222 HD3 PRO 70 2HD PRO 70 -9.395 7.763 26.344 223 H LEU 71 H LEU 71 -4.920 4.234 25.988 224 HA LEU 71 HA LEU 71 -4.218 2.205 25.154 225 HB2 LEU 71 1HB LEU 71 -7.112 1.315 25.384 226 HB3 LEU 71 2HB LEU 71 -5.685 0.279 25.267 227 HG LEU 71 HG LEU 71 -6.410 2.068 27.614 228 HD11 LEU 71 1HD1 LEU 71 -6.748 -0.067 28.779 229 HD12 LEU 71 2HD1 LEU 71 -7.843 0.103 27.386 230 HD13 LEU 71 3HD1 LEU 71 -6.409 -0.944 27.269 231 HD21 LEU 71 1HD2 LEU 71 -4.472 0.990 28.707 232 HD22 LEU 71 2HD2 LEU 71 -4.100 0.126 27.195 233 HD23 LEU 71 3HD2 LEU 71 -3.969 1.900 27.262 234 H GLY 72 H GLY 72 -5.567 4.406 23.505 235 HA2 GLY 72 1HA GLY 72 -6.309 2.862 21.086 236 HA3 GLY 72 2HA GLY 72 -6.399 4.603 21.277 237 H SER 73 H SER 73 -5.352 4.471 19.096 238 HA SER 73 HA SER 73 -2.487 4.876 19.336 239 HB2 SER 73 1HB SER 73 -1.746 3.093 17.901 240 HB3 SER 73 2HB SER 73 -2.636 2.388 19.240 241 HG SER 73 HG SER 73 -3.575 2.908 16.640 242 H SER 74 H SER 74 -1.487 5.352 17.179 243 HA SER 74 HA SER 74 -3.349 5.998 15.010 244 HB2 SER 74 1HB SER 74 -3.594 7.964 16.458 245 HB3 SER 74 2HB SER 74 -1.852 8.186 16.490 246 HG SER 74 HG SER 74 -1.950 8.389 14.213 247 H ASP 75 H ASP 75 -2.389 6.008 13.061 248 HA ASP 75 HA ASP 75 0.524 5.409 13.073 249 HB2 ASP 75 1HB ASP 75 -1.648 4.899 11.002 250 HB3 ASP 75 2HB ASP 75 0.059 4.581 10.725 251 H PHE 76 H PHE 76 1.989 6.470 11.800 252 HA PHE 76 HA PHE 76 0.975 8.897 10.384 253 HB2 PHE 76 1HB PHE 76 3.498 8.740 12.081 254 HB3 PHE 76 2HB PHE 76 2.940 10.144 11.185 255 HD1 PHE 76 HD1 PHE 76 2.365 8.018 14.119 256 HD2 PHE 76 HD2 PHE 76 1.099 11.493 11.980 257 HE1 PHE 76 HE1 PHE 76 1.063 8.754 16.089 258 HE2 PHE 76 HE2 PHE 76 -0.201 12.233 13.948 259 HZ PHE 76 HZ PHE 76 -0.220 10.862 16.003 260 H LYS 77 H LYS 77 2.177 9.609 8.603 261 HA LYS 77 HA LYS 77 4.121 7.590 7.562 262 HB2 LYS 77 1HB LYS 77 1.969 9.096 6.023 263 HB3 LYS 77 2HB LYS 77 3.228 8.122 5.277 264 HG2 LYS 77 1HG LYS 77 2.364 6.106 6.319 265 HG3 LYS 77 2HG LYS 77 1.175 7.046 7.230 266 HD2 LYS 77 1HD LYS 77 0.118 7.774 5.122 267 HD3 LYS 77 2HD LYS 77 1.319 6.861 4.198 268 HE2 LYS 77 1HE LYS 77 0.535 4.762 5.199 269 HE3 LYS 77 2HE LYS 77 -0.619 5.646 6.201 270 HZ1 LYS 77 1HZ LYS 77 -1.658 4.730 4.258 271 HZ2 LYS 77 2HZ LYS 77 -1.712 6.378 4.194 272 HZ3 LYS 77 3HZ LYS 77 -0.635 5.550 3.258 273 H PHE 78 H PHE 78 6.062 8.370 7.271 274 HA PHE 78 HA PHE 78 6.314 11.259 6.543 275 HB2 PHE 78 1HB PHE 78 8.097 9.599 8.368 276 HB3 PHE 78 2HB PHE 78 8.511 11.202 7.779 277 HD1 PHE 78 HD1 PHE 78 6.347 9.281 10.025 278 HD2 PHE 78 HD2 PHE 78 7.377 13.178 8.610 279 HE1 PHE 78 HE1 PHE 78 5.132 10.291 11.927 280 HE2 PHE 78 HE2 PHE 78 6.166 14.191 10.512 281 HZ PHE 78 HZ PHE 78 5.042 12.746 12.170 282 H LEU 79 H LEU 79 6.541 10.999 4.368 283 HA LEU 79 HA LEU 79 8.107 8.988 3.107 284 HB2 LEU 79 1HB LEU 79 6.440 10.288 1.893 285 HB3 LEU 79 2HB LEU 79 7.342 11.779 2.181 286 HG LEU 79 HG LEU 79 9.192 10.909 0.766 287 HD11 LEU 79 1HD1 LEU 79 8.807 8.895 -0.584 288 HD12 LEU 79 2HD1 LEU 79 8.829 8.526 1.155 289 HD13 LEU 79 3HD1 LEU 79 7.280 8.607 0.282 290 HD21 LEU 79 1HD2 LEU 79 7.969 11.127 -1.371 291 HD22 LEU 79 2HD2 LEU 79 6.429 10.870 -0.517 292 HD23 LEU 79 3HD2 LEU 79 7.400 12.325 -0.183 293 HA PRO 80 HA PRO 80 11.703 12.047 3.138 294 HB2 PRO 80 1HB PRO 80 11.588 14.403 4.457 295 HB3 PRO 80 2HB PRO 80 10.820 14.227 2.874 296 HG2 PRO 80 1HG PRO 80 9.549 14.056 5.642 297 HG3 PRO 80 2HG PRO 80 9.009 15.000 4.251 298 HD2 PRO 80 1HD PRO 80 7.969 12.524 4.844 299 HD3 PRO 80 2HD PRO 80 8.100 13.143 3.150 300 HA PRO 81 HA PRO 81 12.654 10.329 7.148 301 HB2 PRO 81 1HB PRO 81 15.220 9.570 6.617 302 HB3 PRO 81 2HB PRO 81 13.840 8.695 5.943 303 HG2 PRO 81 1HG PRO 81 15.558 10.851 4.638 304 HG3 PRO 81 2HG PRO 81 15.080 9.285 3.976 305 HD2 PRO 81 1HD PRO 81 13.722 11.585 3.371 306 HD3 PRO 81 2HD PRO 81 12.887 9.984 3.497 307 H GLY 82 H GLY 82 14.360 10.753 8.825 308 HA2 GLY 82 1HA GLY 82 16.390 12.467 9.035 309 HA3 GLY 82 2HA GLY 82 15.103 13.630 8.780 310 H SER 83 H SER 83 16.088 14.214 11.001 311 HA SER 83 HA SER 83 15.135 12.561 13.230 312 HB2 SER 83 1HB SER 83 17.249 13.712 13.480 313 HB3 SER 83 2HB SER 83 16.514 15.259 13.091 314 HG SER 83 HG SER 83 15.064 14.470 14.975 315 H TYR 84 H TYR 84 13.163 12.625 14.016 316 HA TYR 84 HA TYR 84 11.685 15.219 13.870 317 HB2 TYR 84 1HB TYR 84 10.613 12.383 13.608 318 HB3 TYR 84 2HB TYR 84 9.589 13.791 13.854 319 HD1 TYR 84 HD1 TYR 84 11.969 12.175 11.523 320 HD2 TYR 84 HD2 TYR 84 9.055 15.275 12.077 321 HE1 TYR 84 HE1 TYR 84 11.927 12.572 9.083 322 HE2 TYR 84 HE2 TYR 84 9.012 15.671 9.637 323 HH TYR 84 HH TYR 84 10.758 13.586 7.405 324 H THR 85 H THR 85 10.455 15.845 15.615 325 HA THR 85 HA THR 85 11.221 14.485 18.150 326 HB THR 85 HB THR 85 10.145 17.295 17.661 327 HG1 THR 85 HG1 THR 85 12.238 17.910 18.037 328 HG21 THR 85 1HG2 THR 85 10.642 17.657 20.047 329 HG22 THR 85 2HG2 THR 85 9.422 16.379 19.839 330 HG23 THR 85 3HG2 THR 85 11.107 15.948 20.214 331 H ALA 86 H ALA 86 9.812 13.284 19.189 332 HA ALA 86 HA ALA 86 6.918 13.755 18.700 333 HB1 ALA 86 1HB ALA 86 6.589 11.561 19.793 334 HB2 ALA 86 2HB ALA 86 7.690 11.445 18.400 335 HB3 ALA 86 3HB ALA 86 8.344 11.436 20.054 336 H GLN 87 H GLN 87 6.273 15.394 19.956 337 HA GLN 87 HA GLN 87 7.408 15.766 22.619 338 HB2 GLN 87 1HB GLN 87 6.824 17.680 21.117 339 HB3 GLN 87 2HB GLN 87 5.127 17.241 21.243 340 HG2 GLN 87 1HG GLN 87 5.524 19.046 22.730 341 HG3 GLN 87 2HG GLN 87 5.296 17.580 23.724 342 HE21 GLN 87 1HE2 GLN 87 8.150 18.431 25.514 343 HE22 GLN 87 2HE2 GLN 87 6.454 18.074 25.514 344 H VAL 88 H VAL 88 6.754 14.793 24.381 345 HA VAL 88 HA VAL 88 3.905 13.891 24.503 346 HB VAL 88 HB VAL 88 6.331 12.583 25.806 347 HG11 VAL 88 1HG1 VAL 88 4.777 10.771 26.344 348 HG12 VAL 88 2HG1 VAL 88 4.297 12.307 27.104 349 HG13 VAL 88 3HG1 VAL 88 3.435 11.720 25.661 350 HG21 VAL 88 1HG2 VAL 88 5.951 10.775 24.159 351 HG22 VAL 88 2HG2 VAL 88 4.650 11.731 23.411 352 HG23 VAL 88 3HG2 VAL 88 6.331 12.314 23.349 353 H GLY 89 H GLY 89 3.441 15.997 25.433 354 HA2 GLY 89 1HA GLY 89 2.892 17.270 27.301 355 HA3 GLY 89 2HA GLY 89 3.461 15.959 28.317 356 H GLN 90 H GLN 90 5.244 16.306 29.487 357 HA GLN 90 HA GLN 90 6.896 18.685 28.865 358 HB2 GLN 90 1HB GLN 90 6.874 16.849 31.294 359 HB3 GLN 90 2HB GLN 90 7.879 18.280 31.119 360 HG2 GLN 90 1HG GLN 90 4.855 18.247 31.159 361 HG3 GLN 90 2HG GLN 90 5.929 18.716 32.506 362 HE21 GLN 90 1HE2 GLN 90 4.661 21.519 30.053 363 HE22 GLN 90 2HE2 GLN 90 3.889 20.006 30.393 364 H GLN 91 H GLN 91 6.875 15.450 28.115 365 HA GLN 91 HA GLN 91 9.857 15.352 27.982 366 HB2 GLN 91 1HB GLN 91 7.849 13.066 27.829 367 HB3 GLN 91 2HB GLN 91 9.598 12.902 27.757 368 HG2 GLN 91 1HG GLN 91 8.052 13.997 30.117 369 HG3 GLN 91 2HG GLN 91 8.685 12.333 29.959 370 HE21 GLN 91 1HE2 GLN 91 10.962 15.070 31.647 371 HE22 GLN 91 2HE2 GLN 91 9.233 15.080 31.545 372 H SER 92 H SER 92 10.653 13.973 26.090 373 HA SER 92 HA SER 92 8.975 14.017 23.700 374 HB2 SER 92 1HB SER 92 10.358 15.492 22.385 375 HB3 SER 92 2HB SER 92 9.818 16.356 23.817 376 HG SER 92 HG SER 92 12.115 16.414 23.160 377 H LEU 93 H LEU 93 9.926 12.935 21.896 378 HA LEU 93 HA LEU 93 12.253 11.232 22.685 379 HB2 LEU 93 1HB LEU 93 9.882 10.553 20.909 380 HB3 LEU 93 2HB LEU 93 11.282 9.508 21.167 381 HG LEU 93 HG LEU 93 9.384 10.392 23.369 382 HD11 LEU 93 1HD1 LEU 93 8.472 8.119 23.207 383 HD12 LEU 93 2HD1 LEU 93 8.225 9.035 21.703 384 HD13 LEU 93 3HD1 LEU 93 9.507 7.804 21.794 385 HD21 LEU 93 1HD2 LEU 93 10.496 8.575 24.622 386 HD22 LEU 93 2HD2 LEU 93 11.561 8.265 23.228 387 HD23 LEU 93 3HD2 LEU 93 11.670 9.809 24.107 388 HA PRO 94 HA PRO 94 14.106 12.982 19.098 389 HB2 PRO 94 1HB PRO 94 16.488 11.673 19.181 390 HB3 PRO 94 2HB PRO 94 16.078 12.899 20.387 391 HG2 PRO 94 1HG PRO 94 15.859 9.866 20.596 392 HG3 PRO 94 2HG PRO 94 16.570 10.993 21.755 393 HD2 PRO 94 1HD PRO 94 13.995 10.064 22.001 394 HD3 PRO 94 2HD PRO 94 14.490 11.710 22.566 395 H VAL 95 H VAL 95 12.332 11.759 17.917 396 HA VAL 95 HA VAL 95 12.851 8.970 17.226 397 HB VAL 95 HB VAL 95 10.672 10.841 16.207 398 HG11 VAL 95 1HG1 VAL 95 9.451 8.773 15.738 399 HG12 VAL 95 2HG1 VAL 95 10.976 8.868 14.824 400 HG13 VAL 95 3HG1 VAL 95 10.862 7.822 16.260 401 HG21 VAL 95 1HG2 VAL 95 9.273 9.824 17.978 402 HG22 VAL 95 2HG2 VAL 95 10.684 8.913 18.567 403 HG23 VAL 95 3HG2 VAL 95 10.665 10.689 18.674 404 H LYS 96 H LYS 96 14.886 9.312 16.097 405 HA LYS 96 HA LYS 96 14.943 10.603 13.528 406 HB2 LYS 96 1HB LYS 96 16.995 10.006 14.773 407 HB3 LYS 96 2HB LYS 96 16.614 8.298 14.608 408 HG2 LYS 96 1HG LYS 96 16.876 8.434 12.183 409 HG3 LYS 96 2HG LYS 96 17.163 10.177 12.292 410 HD2 LYS 96 1HD LYS 96 19.173 9.755 13.680 411 HD3 LYS 96 2HD LYS 96 18.887 8.013 13.556 412 HE2 LYS 96 1HE LYS 96 19.251 9.791 11.126 413 HE3 LYS 96 2HE LYS 96 20.600 8.992 11.938 414 HZ1 LYS 96 1HZ LYS 96 19.789 7.703 10.104 415 HZ2 LYS 96 2HZ LYS 96 19.535 6.885 11.514 416 HZ3 LYS 96 3HZ LYS 96 18.275 7.630 10.752 417 H LEU 97 H LEU 97 13.780 10.118 11.826 418 HA LEU 97 HA LEU 97 12.633 7.391 11.637 419 HB2 LEU 97 1HB LEU 97 11.972 9.982 10.195 420 HB3 LEU 97 2HB LEU 97 11.166 8.440 9.892 421 HG LEU 97 HG LEU 97 11.098 10.045 12.471 422 HD11 LEU 97 1HD1 LEU 97 8.714 10.264 11.924 423 HD12 LEU 97 2HD1 LEU 97 9.748 10.966 10.656 424 HD13 LEU 97 3HD1 LEU 97 8.982 9.380 10.404 425 HD21 LEU 97 1HD2 LEU 97 9.534 8.294 13.246 426 HD22 LEU 97 2HD2 LEU 97 9.812 7.380 11.744 427 HD23 LEU 97 3HD2 LEU 97 11.141 7.610 12.904 428 H ASP 98 H ASP 98 13.690 5.945 10.480 429 HA ASP 98 HA ASP 98 15.121 6.842 8.031 430 HB2 ASP 98 1HB ASP 98 15.135 4.187 9.520 431 HB3 ASP 98 2HB ASP 98 15.992 4.474 8.013 432 HA PRO 99 HA PRO 99 12.093 5.580 5.236 433 HB2 PRO 99 1HB PRO 99 14.327 4.095 3.803 434 HB3 PRO 99 2HB PRO 99 13.147 5.233 3.141 435 HG2 PRO 99 1HG PRO 99 15.617 6.107 3.591 436 HG3 PRO 99 2HG PRO 99 14.255 7.133 4.053 437 HD2 PRO 99 1HD PRO 99 15.975 5.325 5.798 438 HD3 PRO 99 2HD PRO 99 15.377 6.998 6.134 439 H ASP 100 H ASP 100 10.627 3.979 5.396 440 HA ASP 100 HA ASP 100 9.700 1.876 5.488 441 HB2 ASP 100 1HB ASP 100 12.470 1.001 4.574 442 HB3 ASP 100 2HB ASP 100 11.060 -0.048 4.635 443 H SER 101 H SER 101 11.306 3.095 7.765 444 HA SER 101 HA SER 101 11.726 0.586 9.318 445 HB2 SER 101 1HB SER 101 13.576 2.186 9.384 446 HB3 SER 101 2HB SER 101 12.492 3.463 9.914 447 HG SER 101 HG SER 101 12.757 1.043 11.301 448 H TYR 102 H TYR 102 10.734 0.269 11.321 449 HA TYR 102 HA TYR 102 8.133 1.717 11.526 450 HB2 TYR 102 1HB TYR 102 8.976 -1.085 12.345 451 HB3 TYR 102 2HB TYR 102 7.472 -0.354 12.889 452 HD1 TYR 102 HD1 TYR 102 9.375 -1.295 9.826 453 HD2 TYR 102 HD2 TYR 102 5.552 -0.400 11.555 454 HE1 TYR 102 HE1 TYR 102 8.262 -2.035 7.748 455 HE2 TYR 102 HE2 TYR 102 4.438 -1.140 9.476 456 HH TYR 102 HH TYR 102 4.709 -1.950 7.433 457 H TYR 103 H TYR 103 7.443 2.630 13.377 458 HA TYR 103 HA TYR 103 9.274 2.485 15.724 459 HB2 TYR 103 1HB TYR 103 8.135 5.047 14.532 460 HB3 TYR 103 2HB TYR 103 9.048 4.937 16.030 461 HD1 TYR 103 HD1 TYR 103 9.241 4.587 12.354 462 HD2 TYR 103 HD2 TYR 103 11.425 4.770 16.042 463 HE1 TYR 103 HE1 TYR 103 11.348 4.871 11.093 464 HE2 TYR 103 HE2 TYR 103 13.532 5.054 14.782 465 HH TYR 103 HH TYR 103 14.230 5.880 12.528 466 H THR 104 H THR 104 8.342 2.534 17.695 467 HA THR 104 HA THR 104 5.393 3.020 17.762 468 HB THR 104 HB THR 104 7.008 1.101 19.496 469 HG1 THR 104 HG1 THR 104 5.474 0.839 17.181 470 HG21 THR 104 1HG2 THR 104 4.815 0.462 20.419 471 HG22 THR 104 2HG2 THR 104 5.160 2.181 20.729 472 HG23 THR 104 3HG2 THR 104 4.030 1.720 19.436 473 H LEU 105 H LEU 105 4.702 4.607 19.000 474 HA LEU 105 HA LEU 105 6.659 5.800 20.912 475 HB2 LEU 105 1HB LEU 105 4.262 7.112 19.586 476 HB3 LEU 105 2HB LEU 105 5.461 7.905 20.612 477 HG LEU 105 HG LEU 105 6.005 6.696 17.877 478 HD11 LEU 105 1HD1 LEU 105 6.238 9.037 17.172 479 HD12 LEU 105 2HD1 LEU 105 4.600 8.691 17.774 480 HD13 LEU 105 3HD1 LEU 105 5.757 9.574 18.798 481 HD21 LEU 105 1HD2 LEU 105 8.201 7.802 18.134 482 HD22 LEU 105 2HD2 LEU 105 7.748 8.323 19.774 483 HD23 LEU 105 3HD2 LEU 105 7.941 6.592 19.412 484 H VAL 106 H VAL 106 6.231 4.778 22.798 485 HA VAL 106 HA VAL 106 3.416 4.450 23.640 486 HB VAL 106 HB VAL 106 6.014 3.558 24.964 487 HG11 VAL 106 1HG1 VAL 106 4.582 2.142 26.354 488 HG12 VAL 106 2HG1 VAL 106 4.239 3.872 26.590 489 HG13 VAL 106 3HG1 VAL 106 3.141 2.871 25.610 490 HG21 VAL 106 1HG2 VAL 106 5.360 1.316 24.147 491 HG22 VAL 106 2HG2 VAL 106 3.945 2.027 23.334 492 HG23 VAL 106 3HG2 VAL 106 5.588 2.452 22.797 493 H SER 107 H SER 107 2.459 6.083 24.628 494 HA SER 107 HA SER 107 4.109 7.897 26.316 495 HB2 SER 107 1HB SER 107 2.807 9.012 24.600 496 HB3 SER 107 2HB SER 107 1.341 8.194 25.112 497 HG SER 107 HG SER 107 2.286 9.278 27.246 498 H GLN 108 H GLN 108 4.254 7.202 28.338 499 HA GLN 108 HA GLN 108 1.741 6.251 29.650 500 HB2 GLN 108 1HB GLN 108 3.375 4.459 29.577 501 HB3 GLN 108 2HB GLN 108 4.643 5.514 30.185 502 HG2 GLN 108 1HG GLN 108 3.925 4.082 31.953 503 HG3 GLN 108 2HG GLN 108 3.366 5.739 32.317 504 HE21 GLN 108 1HE2 GLN 108 0.056 4.808 32.677 505 HE22 GLN 108 2HE2 GLN 108 1.340 5.928 32.990 506 HA PRO 109 HA PRO 109 2.239 10.174 31.754 507 HB2 PRO 109 1HB PRO 109 -0.241 8.996 33.055 508 HB3 PRO 109 2HB PRO 109 0.032 10.642 32.471 509 HG2 PRO 109 1HG PRO 109 -1.436 9.001 30.977 510 HG3 PRO 109 2HG PRO 109 -0.236 10.027 30.186 511 HD2 PRO 109 1HD PRO 109 -0.043 7.082 30.935 512 HD3 PRO 109 2HD PRO 109 0.471 7.905 29.409 513 H GLY 110 H GLY 110 3.174 10.596 33.713 514 HA2 GLY 110 1HA GLY 110 3.514 10.148 36.078 515 HA3 GLY 110 2HA GLY 110 3.172 8.453 35.790 516 H GLY 111 H GLY 111 4.865 8.730 33.219 517 HA2 GLY 111 1HA GLY 111 7.579 8.951 34.429 518 HA3 GLY 111 2HA GLY 111 7.132 7.442 33.656 519 H LYS 112 H LYS 112 8.803 7.722 32.108 520 HA LYS 112 HA LYS 112 8.403 9.961 30.184 521 HB2 LYS 112 1HB LYS 112 10.750 8.069 30.600 522 HB3 LYS 112 2HB LYS 112 10.665 9.273 29.322 523 HG2 LYS 112 1HG LYS 112 10.513 11.061 31.042 524 HG3 LYS 112 2HG LYS 112 10.673 9.829 32.302 525 HD2 LYS 112 1HD LYS 112 12.869 9.164 31.380 526 HD3 LYS 112 2HD LYS 112 12.710 10.389 30.114 527 HE2 LYS 112 1HE LYS 112 12.632 12.164 31.830 528 HE3 LYS 112 2HE LYS 112 12.772 10.947 33.103 529 HZ1 LYS 112 1HZ LYS 112 14.880 11.944 32.599 530 HZ2 LYS 112 2HZ LYS 112 14.915 10.342 32.208 531 HZ3 LYS 112 3HZ LYS 112 14.785 11.478 31.020 532 HA PRO 113 HA PRO 113 6.750 7.274 27.207 533 HB2 PRO 113 1HB PRO 113 7.418 8.583 24.884 534 HB3 PRO 113 2HB PRO 113 6.197 9.204 26.003 535 HG2 PRO 113 1HG PRO 113 9.142 9.961 25.775 536 HG3 PRO 113 2HG PRO 113 7.742 11.033 25.873 537 HD2 PRO 113 1HD PRO 113 9.219 10.449 28.081 538 HD3 PRO 113 2HD PRO 113 7.425 10.660 28.183 539 H GLN 114 H GLN 114 7.334 5.701 25.614 540 HA GLN 114 HA GLN 114 10.260 5.110 25.614 541 HB2 GLN 114 1HB GLN 114 7.940 3.180 25.208 542 HB3 GLN 114 2HB GLN 114 9.642 2.757 25.339 543 HG2 GLN 114 1HG GLN 114 8.015 4.054 27.535 544 HG3 GLN 114 2HG GLN 114 8.370 2.309 27.395 545 HE21 GLN 114 1HE2 GLN 114 10.899 4.685 29.332 546 HE22 GLN 114 2HE2 GLN 114 9.246 5.055 28.970 547 H LEU 115 H LEU 115 11.330 4.571 23.769 548 HA LEU 115 HA LEU 115 9.778 4.909 21.235 549 HB2 LEU 115 1HB LEU 115 11.230 6.826 21.582 550 HB3 LEU 115 2HB LEU 115 12.614 5.774 21.899 551 HG LEU 115 HG LEU 115 12.562 4.999 19.551 552 HD11 LEU 115 1HD1 LEU 115 11.095 6.129 17.939 553 HD12 LEU 115 2HD1 LEU 115 10.163 5.237 19.163 554 HD13 LEU 115 3HD1 LEU 115 10.308 7.008 19.271 555 HD21 LEU 115 1HD2 LEU 115 13.313 7.132 18.553 556 HD22 LEU 115 2HD2 LEU 115 12.557 8.027 19.894 557 HD23 LEU 115 3HD2 LEU 115 13.936 6.947 20.210 558 H VAL 116 H VAL 116 9.545 3.001 20.306 559 HA VAL 116 HA VAL 116 11.861 1.120 20.367 560 HB VAL 116 HB VAL 116 8.920 0.567 19.784 561 HG11 VAL 116 1HG1 VAL 116 9.561 -1.793 19.867 562 HG12 VAL 116 2HG1 VAL 116 10.384 -0.924 18.549 563 HG13 VAL 116 3HG1 VAL 116 11.268 -1.322 20.043 564 HG21 VAL 116 1HG2 VAL 116 8.970 -0.604 21.963 565 HG22 VAL 116 2HG2 VAL 116 10.657 -0.089 22.199 566 HG23 VAL 116 3HG2 VAL 116 9.355 1.123 22.152 567 H ALA 117 H ALA 117 13.042 1.016 18.597 568 HA ALA 117 HA ALA 117 11.752 1.764 16.013 569 HB1 ALA 117 1HB ALA 117 14.036 2.302 15.228 570 HB2 ALA 117 2HB ALA 117 13.592 3.250 16.668 571 HB3 ALA 117 3HB ALA 117 14.681 1.853 16.823 572 H GLU 118 H GLU 118 11.776 0.430 14.307 573 HA GLU 118 HA GLU 118 13.321 -2.112 14.596 574 HB2 GLU 118 1HB GLU 118 10.909 -2.528 14.973 575 HB3 GLU 118 2HB GLU 118 10.526 -1.773 13.431 576 HG2 GLU 118 1HG GLU 118 11.747 -3.528 12.243 577 HG3 GLU 118 2HG GLU 118 12.198 -4.272 13.775 578 HA PRO 119 HA PRO 119 15.196 -0.603 10.890 579 HB2 PRO 119 1HB PRO 119 16.014 -3.535 10.848 580 HB3 PRO 119 2HB PRO 119 17.006 -2.102 10.553 581 HG2 PRO 119 1HG PRO 119 17.198 -3.290 12.922 582 HG3 PRO 119 2HG PRO 119 17.115 -1.527 12.863 583 HD2 PRO 119 1HD PRO 119 14.914 -3.532 13.498 584 HD3 PRO 119 2HD PRO 119 15.289 -1.956 14.304 Start of MODEL 3 1 H GLN 38 1H GLN 38 -1.024 -0.806 0.214 2 HA GLN 38 HA GLN 38 1.144 -0.402 1.069 3 HB2 GLN 38 1HB GLN 38 0.942 -1.699 -0.993 4 HB3 GLN 38 2HB GLN 38 0.836 -0.230 -1.954 5 HG2 GLN 38 1HG GLN 38 3.032 -1.128 -2.180 6 HG3 GLN 38 2HG GLN 38 3.144 0.365 -1.206 7 HE21 GLN 38 1HE2 GLN 38 4.850 -1.206 1.356 8 HE22 GLN 38 2HE2 GLN 38 4.509 0.220 0.434 9 H ALA 39 H ALA 39 2.226 1.183 1.968 10 HA ALA 39 HA ALA 39 2.049 3.910 1.003 11 HB1 ALA 39 1HB ALA 39 3.685 4.394 2.795 12 HB2 ALA 39 2HB ALA 39 2.322 3.419 3.392 13 HB3 ALA 39 3HB ALA 39 3.892 2.649 3.067 14 HA PRO 40 HA PRO 40 5.224 4.114 -1.951 15 HB2 PRO 40 1HB PRO 40 6.030 6.654 -0.488 16 HB3 PRO 40 2HB PRO 40 5.751 6.408 -2.216 17 HG2 PRO 40 1HG PRO 40 3.852 7.612 -0.796 18 HG3 PRO 40 2HG PRO 40 3.382 6.385 -1.976 19 HD2 PRO 40 1HD PRO 40 3.670 6.128 1.046 20 HD3 PRO 40 2HD PRO 40 2.368 5.484 -0.035 21 H LYS 41 H LYS 41 7.328 3.440 -2.104 22 HA LYS 41 HA LYS 41 8.620 2.326 0.151 23 HB2 LYS 41 1HB LYS 41 9.050 1.597 -2.171 24 HB3 LYS 41 2HB LYS 41 9.812 3.140 -2.530 25 HG2 LYS 41 1HG LYS 41 11.566 1.593 -2.179 26 HG3 LYS 41 2HG LYS 41 11.514 2.604 -0.728 27 HD2 LYS 41 1HD LYS 41 10.254 0.868 0.469 28 HD3 LYS 41 2HD LYS 41 10.222 -0.136 -0.989 29 HE2 LYS 41 1HE LYS 41 12.688 -0.269 -0.959 30 HE3 LYS 41 2HE LYS 41 12.731 0.743 0.487 31 HZ1 LYS 41 1HZ LYS 41 12.898 -1.574 1.027 32 HZ2 LYS 41 2HZ LYS 41 11.498 -0.960 1.644 33 HZ3 LYS 41 3HZ LYS 41 11.459 -1.906 0.293 34 H GLY 42 H GLY 42 9.715 3.156 1.759 35 HA2 GLY 42 1HA GLY 42 11.665 4.553 2.415 36 HA3 GLY 42 2HA GLY 42 11.058 5.803 1.345 37 H SER 43 H SER 43 8.224 5.061 2.243 38 HA SER 43 HA SER 43 7.965 7.112 4.212 39 HB2 SER 43 1HB SER 43 6.139 6.528 2.711 40 HB3 SER 43 2HB SER 43 6.066 4.900 3.368 41 HG SER 43 HG SER 43 5.722 5.996 5.434 42 H ALA 44 H ALA 44 8.080 7.122 6.349 43 HA ALA 44 HA ALA 44 8.256 4.476 7.720 44 HB1 ALA 44 1HB ALA 44 9.645 5.614 9.422 45 HB2 ALA 44 2HB ALA 44 10.373 5.716 7.801 46 HB3 ALA 44 3HB ALA 44 9.534 7.125 8.490 47 H PHE 45 H PHE 45 7.257 4.188 9.708 48 HA PHE 45 HA PHE 45 5.161 6.230 10.317 49 HB2 PHE 45 1HB PHE 45 4.863 3.202 10.222 50 HB3 PHE 45 2HB PHE 45 3.655 4.292 10.885 51 HD1 PHE 45 HD1 PHE 45 5.320 3.147 7.818 52 HD2 PHE 45 HD2 PHE 45 2.280 5.661 9.455 53 HE1 PHE 45 HE1 PHE 45 4.345 3.433 5.564 54 HE2 PHE 45 HE2 PHE 45 1.300 5.947 7.204 55 HZ PHE 45 HZ PHE 45 2.335 4.833 5.257 56 H VAL 46 H VAL 46 4.832 6.733 12.401 57 HA VAL 46 HA VAL 46 6.225 5.045 14.439 58 HB VAL 46 HB VAL 46 5.522 8.009 14.585 59 HG11 VAL 46 1HG1 VAL 46 6.827 7.998 16.655 60 HG12 VAL 46 2HG1 VAL 46 5.407 6.931 16.758 61 HG13 VAL 46 3HG1 VAL 46 7.028 6.235 16.518 62 HG21 VAL 46 1HG2 VAL 46 7.972 8.342 14.480 63 HG22 VAL 46 2HG2 VAL 46 8.199 6.589 14.272 64 HG23 VAL 46 3HG2 VAL 46 7.368 7.535 13.013 65 H ARG 47 H ARG 47 4.846 3.800 15.494 66 HA ARG 47 HA ARG 47 2.003 4.572 15.621 67 HB2 ARG 47 1HB ARG 47 2.576 2.279 14.959 68 HB3 ARG 47 2HB ARG 47 3.441 2.034 16.468 69 HG2 ARG 47 1HG ARG 47 1.472 1.966 17.736 70 HG3 ARG 47 2HG ARG 47 0.509 2.736 16.451 71 HD2 ARG 47 1HD ARG 47 1.800 0.027 16.230 72 HD3 ARG 47 2HD ARG 47 0.111 0.315 16.712 73 HE ARG 47 HE ARG 47 0.487 1.667 14.304 74 HH11 ARG 47 1HH1 ARG 47 0.634 -1.644 15.467 75 HH12 ARG 47 2HH1 ARG 47 0.162 -2.337 13.930 76 HH21 ARG 47 1HH2 ARG 47 -0.122 0.757 12.316 77 HH22 ARG 47 2HH2 ARG 47 -0.265 -0.978 12.146 78 H ALA 48 H ALA 48 1.532 5.980 17.183 79 HA ALA 48 HA ALA 48 2.863 5.845 19.784 80 HB1 ALA 48 1HB ALA 48 1.404 7.760 20.356 81 HB2 ALA 48 2HB ALA 48 2.268 8.022 18.821 82 HB3 ALA 48 3HB ALA 48 0.550 7.559 18.808 83 H TYR 49 H TYR 49 1.979 5.309 21.745 84 HA TYR 49 HA TYR 49 -0.676 3.942 21.629 85 HB2 TYR 49 1HB TYR 49 1.068 2.230 21.732 86 HB3 TYR 49 2HB TYR 49 1.834 3.036 23.093 87 HD1 TYR 49 HD1 TYR 49 -1.377 1.430 22.062 88 HD2 TYR 49 HD2 TYR 49 1.276 2.459 25.272 89 HE1 TYR 49 HE1 TYR 49 -2.754 0.101 23.625 90 HE2 TYR 49 HE2 TYR 49 -0.101 1.129 26.836 91 HH TYR 49 HH TYR 49 -3.049 -0.526 25.740 92 H ASN 50 H ASN 50 -2.127 4.576 23.047 93 HA ASN 50 HA ASN 50 -1.340 6.624 25.011 94 HB2 ASN 50 1HB ASN 50 -3.359 6.912 23.591 95 HB3 ASN 50 2HB ASN 50 -4.076 5.491 24.340 96 HD21 ASN 50 1HD2 ASN 50 -5.193 8.698 25.974 97 HD22 ASN 50 2HD2 ASN 50 -5.070 8.198 24.320 98 H ALA 51 H ALA 51 -0.259 5.702 26.656 99 HA ALA 51 HA ALA 51 -1.392 3.279 27.907 100 HB1 ALA 51 1HB ALA 51 0.702 3.268 29.225 101 HB2 ALA 51 2HB ALA 51 1.024 3.337 27.476 102 HB3 ALA 51 3HB ALA 51 1.177 4.806 28.468 103 H GLY 52 H GLY 52 -2.278 6.306 28.087 104 HA2 GLY 52 1HA GLY 52 -2.245 6.586 31.046 105 HA3 GLY 52 2HA GLY 52 -2.709 7.825 29.896 106 H ASN 53 H ASN 53 -4.526 7.954 31.528 107 HA ASN 53 HA ASN 53 -6.624 5.907 30.964 108 HB2 ASN 53 1HB ASN 53 -6.293 7.845 33.275 109 HB3 ASN 53 2HB ASN 53 -7.732 6.867 33.016 110 HD21 ASN 53 1HD2 ASN 53 -4.956 5.319 35.217 111 HD22 ASN 53 2HD2 ASN 53 -5.398 6.984 35.034 112 H SER 54 H SER 54 -5.672 8.597 29.605 113 HA SER 54 HA SER 54 -8.360 9.294 28.710 114 HB2 SER 54 1HB SER 54 -8.366 11.586 29.407 115 HB3 SER 54 2HB SER 54 -8.095 10.602 30.836 116 HG SER 54 HG SER 54 -6.291 12.145 29.363 117 H GLU 55 H GLU 55 -8.166 11.356 27.233 118 HA GLU 55 HA GLU 55 -6.321 10.794 25.146 119 HB2 GLU 55 1HB GLU 55 -8.446 12.074 24.866 120 HB3 GLU 55 2HB GLU 55 -7.744 13.417 25.757 121 HG2 GLU 55 1HG GLU 55 -6.018 13.670 24.023 122 HG3 GLU 55 2HG GLU 55 -6.715 12.320 23.131 123 H LEU 56 H LEU 56 -4.267 11.262 24.820 124 HA LEU 56 HA LEU 56 -2.967 13.081 26.800 125 HB2 LEU 56 1HB LEU 56 -1.751 10.787 25.221 126 HB3 LEU 56 2HB LEU 56 -0.919 11.782 26.419 127 HG LEU 56 HG LEU 56 -3.216 9.873 26.980 128 HD11 LEU 56 1HD1 LEU 56 -1.491 8.557 28.129 129 HD12 LEU 56 2HD1 LEU 56 -1.134 8.741 26.395 130 HD13 LEU 56 3HD1 LEU 56 -0.252 9.716 27.595 131 HD21 LEU 56 1HD2 LEU 56 -2.712 10.382 29.345 132 HD22 LEU 56 2HD2 LEU 56 -1.489 11.568 28.830 133 HD23 LEU 56 3HD2 LEU 56 -3.208 11.848 28.467 134 H ASP 57 H ASP 57 -1.407 14.543 26.140 135 HA ASP 57 HA ASP 57 -1.802 15.553 23.431 136 HB2 ASP 57 1HB ASP 57 -1.547 17.042 25.436 137 HB3 ASP 57 2HB ASP 57 0.120 16.504 25.593 138 H VAL 58 H VAL 58 -0.992 13.860 22.139 139 HA VAL 58 HA VAL 58 1.982 13.575 22.242 140 HB VAL 58 HB VAL 58 -0.105 11.617 21.188 141 HG11 VAL 58 1HG1 VAL 58 1.778 10.085 20.876 142 HG12 VAL 58 2HG1 VAL 58 1.931 11.544 19.867 143 HG13 VAL 58 3HG1 VAL 58 2.906 11.377 21.347 144 HG21 VAL 58 1HG2 VAL 58 0.644 10.209 23.079 145 HG22 VAL 58 2HG2 VAL 58 1.733 11.511 23.615 146 HG23 VAL 58 3HG2 VAL 58 -0.030 11.752 23.654 147 H SER 59 H SER 59 3.090 14.366 20.592 148 HA SER 59 HA SER 59 1.984 14.103 17.875 149 HB2 SER 59 1HB SER 59 2.321 16.412 17.272 150 HB3 SER 59 2HB SER 59 1.245 16.351 18.660 151 HG SER 59 HG SER 59 3.950 17.041 18.526 152 H VAL 60 H VAL 60 3.570 14.380 16.205 153 HA VAL 60 HA VAL 60 6.372 14.160 17.209 154 HB VAL 60 HB VAL 60 5.093 12.434 15.046 155 HG11 VAL 60 1HG1 VAL 60 7.226 11.234 15.046 156 HG12 VAL 60 2HG1 VAL 60 7.420 12.937 14.568 157 HG13 VAL 60 3HG1 VAL 60 7.888 12.412 16.204 158 HG21 VAL 60 1HG2 VAL 60 5.449 10.586 16.652 159 HG22 VAL 60 2HG2 VAL 60 6.052 11.751 17.856 160 HG23 VAL 60 3HG2 VAL 60 4.354 11.819 17.322 161 H GLY 61 H GLY 61 7.680 15.577 16.299 162 HA2 GLY 61 1HA GLY 61 8.650 16.960 14.708 163 HA3 GLY 61 2HA GLY 61 7.795 16.052 13.475 164 H SER 62 H SER 62 6.302 17.116 12.337 165 HA SER 62 HA SER 62 5.088 19.555 13.570 166 HB2 SER 62 1HB SER 62 4.821 20.413 11.295 167 HB3 SER 62 2HB SER 62 6.507 20.054 11.631 168 HG SER 62 HG SER 62 4.840 18.128 10.491 169 H THR 63 H THR 63 4.393 16.458 13.168 170 HA THR 63 HA THR 63 1.678 16.875 12.028 171 HB THR 63 HB THR 63 3.173 14.300 12.692 172 HG1 THR 63 HG1 THR 63 3.542 14.208 10.530 173 HG21 THR 63 1HG2 THR 63 1.326 13.192 11.495 174 HG22 THR 63 2HG2 THR 63 0.725 14.062 12.927 175 HG23 THR 63 3HG2 THR 63 0.504 14.758 11.304 176 H SER 64 H SER 64 0.020 17.186 13.306 177 HA SER 64 HA SER 64 0.343 16.726 16.198 178 HB2 SER 64 1HB SER 64 -1.673 18.021 16.439 179 HB3 SER 64 2HB SER 64 -0.623 18.842 15.295 180 HG SER 64 HG SER 64 -2.914 18.544 14.772 181 H LEU 65 H LEU 65 -1.620 15.892 17.404 182 HA LEU 65 HA LEU 65 -3.285 13.964 15.975 183 HB2 LEU 65 1HB LEU 65 -1.271 12.624 16.217 184 HB3 LEU 65 2HB LEU 65 -1.158 13.031 17.932 185 HG LEU 65 HG LEU 65 -3.349 11.808 18.273 186 HD11 LEU 65 1HD1 LEU 65 -4.043 10.253 16.506 187 HD12 LEU 65 2HD1 LEU 65 -4.158 11.947 15.974 188 HD13 LEU 65 3HD1 LEU 65 -2.805 10.931 15.423 189 HD21 LEU 65 1HD2 LEU 65 -2.274 9.585 18.156 190 HD22 LEU 65 2HD2 LEU 65 -1.009 10.252 17.096 191 HD23 LEU 65 3HD2 LEU 65 -1.145 10.810 18.781 192 H ASN 66 H ASN 66 -5.176 13.667 16.971 193 HA ASN 66 HA ASN 66 -5.380 14.036 19.886 194 HB2 ASN 66 1HB ASN 66 -7.161 15.709 19.727 195 HB3 ASN 66 2HB ASN 66 -5.653 16.323 19.060 196 HD21 ASN 66 1HD2 ASN 66 -7.464 17.404 16.307 197 HD22 ASN 66 2HD2 ASN 66 -6.475 17.801 17.673 198 H ASP 67 H ASP 67 -7.882 13.911 20.453 199 HA ASP 67 HA ASP 67 -9.693 12.498 20.585 200 HB2 ASP 67 1HB ASP 67 -9.971 13.473 18.198 201 HB3 ASP 67 2HB ASP 67 -9.349 11.930 17.626 202 H VAL 68 H VAL 68 -7.316 11.386 21.363 203 HA VAL 68 HA VAL 68 -7.387 8.637 20.209 204 HB VAL 68 HB VAL 68 -5.265 9.980 21.939 205 HG11 VAL 68 1HG1 VAL 68 -3.895 8.020 21.416 206 HG12 VAL 68 2HG1 VAL 68 -5.363 7.585 22.323 207 HG13 VAL 68 3HG1 VAL 68 -5.276 7.282 20.571 208 HG21 VAL 68 1HG2 VAL 68 -3.919 9.954 19.862 209 HG22 VAL 68 2HG2 VAL 68 -5.306 9.279 18.973 210 HG23 VAL 68 3HG2 VAL 68 -5.399 10.920 19.657 211 H ALA 69 H ALA 69 -8.433 7.139 21.302 212 HA ALA 69 HA ALA 69 -9.383 7.660 23.994 213 HB1 ALA 69 1HB ALA 69 -10.415 5.420 23.804 214 HB2 ALA 69 2HB ALA 69 -10.761 6.429 22.379 215 HB3 ALA 69 3HB ALA 69 -9.528 5.150 22.286 216 HA PRO 70 HA PRO 70 -6.309 5.934 26.534 217 HB2 PRO 70 1HB PRO 70 -8.587 4.345 27.774 218 HB3 PRO 70 2HB PRO 70 -7.340 5.310 28.576 219 HG2 PRO 70 1HG PRO 70 -9.772 6.357 28.331 220 HG3 PRO 70 2HG PRO 70 -8.371 7.379 28.000 221 HD2 PRO 70 1HD PRO 70 -10.208 5.950 26.038 222 HD3 PRO 70 2HD PRO 70 -9.534 7.626 25.954 223 H LEU 71 H LEU 71 -4.942 4.256 26.246 224 HA LEU 71 HA LEU 71 -4.127 2.179 25.677 225 HB2 LEU 71 1HB LEU 71 -6.992 1.200 25.907 226 HB3 LEU 71 2HB LEU 71 -5.525 0.216 25.957 227 HG LEU 71 HG LEU 71 -6.404 2.229 28.058 228 HD11 LEU 71 1HD1 LEU 71 -6.706 0.229 29.448 229 HD12 LEU 71 2HD1 LEU 71 -7.753 0.194 28.010 230 HD13 LEU 71 3HD1 LEU 71 -6.279 -0.800 28.060 231 HD21 LEU 71 1HD2 LEU 71 -4.470 1.363 29.330 232 HD22 LEU 71 2HD2 LEU 71 -4.010 0.349 27.941 233 HD23 LEU 71 3HD2 LEU 71 -3.946 2.123 27.808 234 H GLY 72 H GLY 72 -5.527 4.112 23.736 235 HA2 GLY 72 1HA GLY 72 -5.992 2.239 21.475 236 HA3 GLY 72 2HA GLY 72 -6.293 3.967 21.467 237 H SER 73 H SER 73 -5.110 3.744 19.367 238 HA SER 73 HA SER 73 -2.318 4.502 19.740 239 HB2 SER 73 1HB SER 73 -1.333 2.748 18.410 240 HB3 SER 73 2HB SER 73 -2.199 2.016 19.751 241 HG SER 73 HG SER 73 -3.101 2.326 17.103 242 H SER 74 H SER 74 -1.293 5.186 17.733 243 HA SER 74 HA SER 74 -2.917 5.379 15.325 244 HB2 SER 74 1HB SER 74 -3.909 7.193 16.650 245 HB3 SER 74 2HB SER 74 -2.318 7.886 16.929 246 HG SER 74 HG SER 74 -2.109 8.197 14.733 247 H ASP 75 H ASP 75 -1.738 5.869 13.520 248 HA ASP 75 HA ASP 75 1.187 5.738 13.971 249 HB2 ASP 75 1HB ASP 75 -0.510 5.267 11.489 250 HB3 ASP 75 2HB ASP 75 1.246 5.177 11.513 251 H PHE 76 H PHE 76 2.524 7.375 13.615 252 HA PHE 76 HA PHE 76 1.539 9.762 12.173 253 HB2 PHE 76 1HB PHE 76 4.118 9.160 13.665 254 HB3 PHE 76 2HB PHE 76 3.856 10.647 12.767 255 HD1 PHE 76 HD1 PHE 76 2.902 8.702 15.724 256 HD2 PHE 76 HD2 PHE 76 2.316 12.340 13.561 257 HE1 PHE 76 HE1 PHE 76 1.795 9.696 17.699 258 HE2 PHE 76 HE2 PHE 76 1.212 13.338 15.535 259 HZ PHE 76 HZ PHE 76 0.950 12.014 17.604 260 H LYS 77 H LYS 77 1.844 10.085 10.091 261 HA LYS 77 HA LYS 77 3.558 8.140 8.651 262 HB2 LYS 77 1HB LYS 77 1.195 8.371 7.942 263 HB3 LYS 77 2HB LYS 77 1.450 10.080 7.620 264 HG2 LYS 77 1HG LYS 77 3.061 9.525 5.849 265 HG3 LYS 77 2HG LYS 77 2.847 7.801 6.188 266 HD2 LYS 77 1HD LYS 77 0.448 7.983 5.614 267 HD3 LYS 77 2HD LYS 77 0.657 9.709 5.286 268 HE2 LYS 77 1HE LYS 77 2.304 9.151 3.506 269 HE3 LYS 77 2HE LYS 77 2.035 7.433 3.814 270 HZ1 LYS 77 1HZ LYS 77 0.731 8.215 1.976 271 HZ2 LYS 77 2HZ LYS 77 -0.264 7.744 3.204 272 HZ3 LYS 77 3HZ LYS 77 -0.013 9.349 2.915 273 H PHE 78 H PHE 78 5.549 8.683 8.184 274 HA PHE 78 HA PHE 78 6.025 11.477 7.236 275 HB2 PHE 78 1HB PHE 78 7.914 9.732 8.865 276 HB3 PHE 78 2HB PHE 78 8.331 11.287 8.166 277 HD1 PHE 78 HD1 PHE 78 6.881 9.587 10.959 278 HD2 PHE 78 HD2 PHE 78 7.022 13.340 8.923 279 HE1 PHE 78 HE1 PHE 78 6.050 10.720 12.993 280 HE2 PHE 78 HE2 PHE 78 6.194 14.477 10.956 281 HZ PHE 78 HZ PHE 78 5.706 13.165 12.992 282 H LEU 79 H LEU 79 5.830 10.991 5.079 283 HA LEU 79 HA LEU 79 7.028 8.818 3.732 284 HB2 LEU 79 1HB LEU 79 5.404 10.238 2.637 285 HB3 LEU 79 2HB LEU 79 6.447 11.653 2.812 286 HG LEU 79 HG LEU 79 8.072 10.626 1.236 287 HD11 LEU 79 1HD1 LEU 79 7.402 8.633 -0.032 288 HD12 LEU 79 2HD1 LEU 79 7.568 8.283 1.704 289 HD13 LEU 79 3HD1 LEU 79 5.952 8.474 0.985 290 HD21 LEU 79 1HD2 LEU 79 6.662 10.914 -0.775 291 HD22 LEU 79 2HD2 LEU 79 5.200 10.786 0.232 292 HD23 LEU 79 3HD2 LEU 79 6.307 12.165 0.441 293 HA PRO 80 HA PRO 80 10.968 11.382 3.277 294 HB2 PRO 80 1HB PRO 80 11.268 13.805 4.421 295 HB3 PRO 80 2HB PRO 80 10.336 13.639 2.927 296 HG2 PRO 80 1HG PRO 80 9.324 13.810 5.800 297 HG3 PRO 80 2HG PRO 80 8.777 14.727 4.393 298 HD2 PRO 80 1HD PRO 80 7.510 12.436 5.269 299 HD3 PRO 80 2HD PRO 80 7.524 12.949 3.533 300 HA PRO 81 HA PRO 81 12.126 9.805 7.282 301 HB2 PRO 81 1HB PRO 81 14.663 9.017 6.641 302 HB3 PRO 81 2HB PRO 81 13.244 8.126 6.077 303 HG2 PRO 81 1HG PRO 81 14.891 10.225 4.603 304 HG3 PRO 81 2HG PRO 81 14.368 8.641 4.022 305 HD2 PRO 81 1HD PRO 81 12.989 10.921 3.411 306 HD3 PRO 81 2HD PRO 81 12.151 9.337 3.658 307 H GLY 82 H GLY 82 13.874 10.274 8.879 308 HA2 GLY 82 1HA GLY 82 15.926 11.946 9.013 309 HA3 GLY 82 2HA GLY 82 14.680 13.134 8.677 310 H SER 83 H SER 83 15.598 13.873 10.846 311 HA SER 83 HA SER 83 14.731 12.290 13.169 312 HB2 SER 83 1HB SER 83 16.883 13.394 13.292 313 HB3 SER 83 2HB SER 83 16.167 14.948 12.895 314 HG SER 83 HG SER 83 14.819 14.504 14.821 315 H TYR 84 H TYR 84 12.883 12.510 14.208 316 HA TYR 84 HA TYR 84 11.516 15.158 14.086 317 HB2 TYR 84 1HB TYR 84 10.163 12.434 13.918 318 HB3 TYR 84 2HB TYR 84 9.331 13.978 14.040 319 HD1 TYR 84 HD1 TYR 84 11.212 11.722 11.859 320 HD2 TYR 84 HD2 TYR 84 9.284 15.543 12.162 321 HE1 TYR 84 HE1 TYR 84 11.235 11.929 9.397 322 HE2 TYR 84 HE2 TYR 84 9.307 15.749 9.699 323 HH TYR 84 HH TYR 84 10.450 13.111 7.642 324 H THR 85 H THR 85 10.389 15.802 15.903 325 HA THR 85 HA THR 85 11.389 14.468 18.358 326 HB THR 85 HB THR 85 10.153 17.227 17.958 327 HG1 THR 85 HG1 THR 85 12.343 17.869 18.373 328 HG21 THR 85 1HG2 THR 85 10.896 17.642 20.270 329 HG22 THR 85 2HG2 THR 85 9.715 16.312 20.211 330 HG23 THR 85 3HG2 THR 85 11.448 15.956 20.400 331 H ALA 86 H ALA 86 10.130 13.068 19.329 332 HA ALA 86 HA ALA 86 7.224 13.169 18.961 333 HB1 ALA 86 1HB ALA 86 7.225 11.111 20.333 334 HB2 ALA 86 2HB ALA 86 8.373 11.001 18.978 335 HB3 ALA 86 3HB ALA 86 8.968 11.316 20.625 336 H GLN 87 H GLN 87 6.473 14.995 19.940 337 HA GLN 87 HA GLN 87 7.147 15.587 22.718 338 HB2 GLN 87 1HB GLN 87 6.621 17.395 21.112 339 HB3 GLN 87 2HB GLN 87 5.002 16.746 20.893 340 HG2 GLN 87 1HG GLN 87 4.840 18.597 22.362 341 HG3 GLN 87 2HG GLN 87 4.602 17.125 23.346 342 HE21 GLN 87 1HE2 GLN 87 6.909 18.314 25.649 343 HE22 GLN 87 2HE2 GLN 87 5.326 17.694 25.315 344 H VAL 88 H VAL 88 6.323 14.655 24.430 345 HA VAL 88 HA VAL 88 3.523 13.636 24.270 346 HB VAL 88 HB VAL 88 5.888 12.211 25.564 347 HG11 VAL 88 1HG1 VAL 88 4.290 10.417 26.027 348 HG12 VAL 88 2HG1 VAL 88 3.851 11.930 26.855 349 HG13 VAL 88 3HG1 VAL 88 2.971 11.428 25.391 350 HG21 VAL 88 1HG2 VAL 88 5.460 10.486 23.841 351 HG22 VAL 88 2HG2 VAL 88 4.182 11.506 23.139 352 HG23 VAL 88 3HG2 VAL 88 5.877 12.049 23.098 353 H GLY 89 H GLY 89 2.528 15.136 25.497 354 HA2 GLY 89 1HA GLY 89 1.871 16.241 27.429 355 HA3 GLY 89 2HA GLY 89 2.852 15.111 28.344 356 H GLN 90 H GLN 90 4.396 16.040 29.516 357 HA GLN 90 HA GLN 90 5.437 18.689 28.679 358 HB2 GLN 90 1HB GLN 90 5.764 17.153 31.289 359 HB3 GLN 90 2HB GLN 90 6.407 18.758 30.974 360 HG2 GLN 90 1HG GLN 90 3.476 18.006 30.983 361 HG3 GLN 90 2HG GLN 90 4.360 18.850 32.286 362 HE21 GLN 90 1HE2 GLN 90 2.551 21.013 29.544 363 HE22 GLN 90 2HE2 GLN 90 2.145 19.402 30.038 364 H GLN 91 H GLN 91 6.193 15.523 28.179 365 HA GLN 91 HA GLN 91 9.130 16.067 28.221 366 HB2 GLN 91 1HB GLN 91 7.683 13.389 28.154 367 HB3 GLN 91 2HB GLN 91 9.425 13.616 28.210 368 HG2 GLN 91 1HG GLN 91 7.470 14.469 30.356 369 HG3 GLN 91 2HG GLN 91 8.517 13.022 30.390 370 HE21 GLN 91 1HE2 GLN 91 9.882 16.295 32.045 371 HE22 GLN 91 2HE2 GLN 91 8.229 15.800 31.879 372 H SER 92 H SER 92 10.357 14.838 26.499 373 HA SER 92 HA SER 92 8.862 14.396 24.004 374 HB2 SER 92 1HB SER 92 10.123 15.989 22.696 375 HB3 SER 92 2HB SER 92 9.329 16.837 24.014 376 HG SER 92 HG SER 92 11.476 17.441 23.765 377 H LEU 93 H LEU 93 10.067 13.320 22.384 378 HA LEU 93 HA LEU 93 12.785 12.416 23.137 379 HB2 LEU 93 1HB LEU 93 11.291 10.726 24.099 380 HB3 LEU 93 2HB LEU 93 10.468 10.539 22.548 381 HG LEU 93 HG LEU 93 12.587 9.660 21.566 382 HD11 LEU 93 1HD1 LEU 93 14.418 9.048 23.082 383 HD12 LEU 93 2HD1 LEU 93 14.149 10.807 23.053 384 HD13 LEU 93 3HD1 LEU 93 13.567 9.839 24.429 385 HD21 LEU 93 1HD2 LEU 93 12.481 7.489 22.740 386 HD22 LEU 93 2HD2 LEU 93 11.602 8.258 24.084 387 HD23 LEU 93 3HD2 LEU 93 10.851 8.153 22.474 388 HA PRO 94 HA PRO 94 12.824 13.248 18.756 389 HB2 PRO 94 1HB PRO 94 15.529 13.612 18.537 390 HB3 PRO 94 2HB PRO 94 14.470 14.857 19.213 391 HG2 PRO 94 1HG PRO 94 16.152 12.778 20.678 392 HG3 PRO 94 2HG PRO 94 16.047 14.514 20.986 393 HD2 PRO 94 1HD PRO 94 14.592 12.719 22.438 394 HD3 PRO 94 2HD PRO 94 13.941 14.356 22.030 395 H VAL 95 H VAL 95 13.254 11.917 17.012 396 HA VAL 95 HA VAL 95 15.029 9.586 17.359 397 HB VAL 95 HB VAL 95 12.841 8.791 18.208 398 HG11 VAL 95 1HG1 VAL 95 10.901 8.666 16.723 399 HG12 VAL 95 2HG1 VAL 95 11.393 10.348 17.036 400 HG13 VAL 95 3HG1 VAL 95 11.793 9.577 15.481 401 HG21 VAL 95 1HG2 VAL 95 12.598 6.858 16.683 402 HG22 VAL 95 2HG2 VAL 95 13.548 7.716 15.447 403 HG23 VAL 95 3HG2 VAL 95 14.312 7.233 16.980 404 H LYS 96 H LYS 96 16.054 9.078 15.528 405 HA LYS 96 HA LYS 96 15.271 10.420 13.030 406 HB2 LYS 96 1HB LYS 96 17.668 10.214 13.697 407 HB3 LYS 96 2HB LYS 96 17.537 8.463 13.589 408 HG2 LYS 96 1HG LYS 96 17.070 8.619 11.187 409 HG3 LYS 96 2HG LYS 96 17.132 10.385 11.279 410 HD2 LYS 96 1HD LYS 96 19.485 10.268 12.029 411 HD3 LYS 96 2HD LYS 96 19.424 8.502 11.948 412 HE2 LYS 96 1HE LYS 96 18.941 8.632 9.522 413 HE3 LYS 96 2HE LYS 96 19.015 10.395 9.604 414 HZ1 LYS 96 1HZ LYS 96 21.075 9.459 8.847 415 HZ2 LYS 96 2HZ LYS 96 21.304 10.208 10.299 416 HZ3 LYS 96 3HZ LYS 96 21.235 8.562 10.222 417 H LEU 97 H LEU 97 14.001 9.614 11.539 418 HA LEU 97 HA LEU 97 13.125 6.802 11.846 419 HB2 LEU 97 1HB LEU 97 12.012 8.963 10.025 420 HB3 LEU 97 2HB LEU 97 11.259 7.416 10.425 421 HG LEU 97 HG LEU 97 11.676 9.770 12.298 422 HD11 LEU 97 1HD1 LEU 97 9.221 9.815 12.303 423 HD12 LEU 97 2HD1 LEU 97 9.879 10.056 10.668 424 HD13 LEU 97 3HD1 LEU 97 9.193 8.479 11.130 425 HD21 LEU 97 1HD2 LEU 97 10.465 8.381 13.946 426 HD22 LEU 97 2HD2 LEU 97 10.455 7.023 12.795 427 HD23 LEU 97 3HD2 LEU 97 11.996 7.613 13.462 428 H ASP 98 H ASP 98 14.186 5.310 10.757 429 HA ASP 98 HA ASP 98 15.740 5.899 8.392 430 HB2 ASP 98 1HB ASP 98 14.890 3.302 9.718 431 HB3 ASP 98 2HB ASP 98 15.869 3.344 8.259 432 HA PRO 99 HA PRO 99 12.841 5.677 5.164 433 HB2 PRO 99 1HB PRO 99 14.923 3.890 3.846 434 HB3 PRO 99 2HB PRO 99 14.069 5.283 3.171 435 HG2 PRO 99 1HG PRO 99 16.578 5.625 3.980 436 HG3 PRO 99 2HG PRO 99 15.381 6.857 4.388 437 HD2 PRO 99 1HD PRO 99 16.505 4.624 6.125 438 HD3 PRO 99 2HD PRO 99 16.175 6.350 6.558 439 H ASP 100 H ASP 100 11.088 4.406 5.008 440 HA ASP 100 HA ASP 100 9.719 2.556 5.080 441 HB2 ASP 100 1HB ASP 100 11.227 2.056 3.053 442 HB3 ASP 100 2HB ASP 100 12.115 0.964 4.106 443 H SER 101 H SER 101 10.218 3.027 7.514 444 HA SER 101 HA SER 101 10.693 0.355 8.692 445 HB2 SER 101 1HB SER 101 12.200 1.172 10.381 446 HB3 SER 101 2HB SER 101 12.861 1.585 8.806 447 HG SER 101 HG SER 101 12.267 3.634 9.062 448 H TYR 102 H TYR 102 10.044 0.287 11.012 449 HA TYR 102 HA TYR 102 7.832 2.231 11.525 450 HB2 TYR 102 1HB TYR 102 7.870 -0.767 12.065 451 HB3 TYR 102 2HB TYR 102 6.615 0.331 12.623 452 HD1 TYR 102 HD1 TYR 102 8.146 -1.240 9.655 453 HD2 TYR 102 HD2 TYR 102 4.925 1.170 11.147 454 HE1 TYR 102 HE1 TYR 102 6.934 -1.537 7.521 455 HE2 TYR 102 HE2 TYR 102 3.714 0.873 9.014 456 HH TYR 102 HH TYR 102 5.128 -0.996 6.341 457 H TYR 103 H TYR 103 7.459 2.886 13.609 458 HA TYR 103 HA TYR 103 9.353 1.866 15.674 459 HB2 TYR 103 1HB TYR 103 8.645 4.787 15.177 460 HB3 TYR 103 2HB TYR 103 9.568 4.192 16.549 461 HD1 TYR 103 HD1 TYR 103 9.583 4.596 12.868 462 HD2 TYR 103 HD2 TYR 103 11.879 3.679 16.374 463 HE1 TYR 103 HE1 TYR 103 11.668 4.796 11.555 464 HE2 TYR 103 HE2 TYR 103 13.964 3.880 15.061 465 HH TYR 103 HH TYR 103 14.857 4.413 13.096 466 H THR 104 H THR 104 8.592 1.686 17.727 467 HA THR 104 HA THR 104 5.672 2.196 18.053 468 HB THR 104 HB THR 104 7.530 0.326 19.583 469 HG1 THR 104 HG1 THR 104 6.871 -1.082 18.158 470 HG21 THR 104 1HG2 THR 104 5.477 -0.439 20.712 471 HG22 THR 104 2HG2 THR 104 5.779 1.283 21.040 472 HG23 THR 104 3HG2 THR 104 4.539 0.807 19.859 473 H LEU 105 H LEU 105 5.063 3.869 19.197 474 HA LEU 105 HA LEU 105 7.002 4.981 21.181 475 HB2 LEU 105 1HB LEU 105 6.589 6.502 19.319 476 HB3 LEU 105 2HB LEU 105 4.843 6.358 19.543 477 HG LEU 105 HG LEU 105 5.121 7.435 21.807 478 HD11 LEU 105 1HD1 LEU 105 7.226 8.618 22.246 479 HD12 LEU 105 2HD1 LEU 105 7.467 6.858 22.159 480 HD13 LEU 105 3HD1 LEU 105 7.939 7.891 20.788 481 HD21 LEU 105 1HD2 LEU 105 5.431 9.697 20.861 482 HD22 LEU 105 2HD2 LEU 105 6.121 8.985 19.383 483 HD23 LEU 105 3HD2 LEU 105 4.414 8.694 19.799 484 H VAL 106 H VAL 106 6.478 4.769 23.228 485 HA VAL 106 HA VAL 106 3.630 4.204 23.893 486 HB VAL 106 HB VAL 106 6.165 3.711 25.513 487 HG11 VAL 106 1HG1 VAL 106 4.717 2.413 26.998 488 HG12 VAL 106 2HG1 VAL 106 4.246 4.128 26.941 489 HG13 VAL 106 3HG1 VAL 106 3.297 2.914 26.050 490 HG21 VAL 106 1HG2 VAL 106 5.723 1.330 25.005 491 HG22 VAL 106 2HG2 VAL 106 4.338 1.805 23.993 492 HG23 VAL 106 3HG2 VAL 106 5.990 2.268 23.516 493 H SER 107 H SER 107 2.506 5.898 24.547 494 HA SER 107 HA SER 107 3.876 8.124 25.930 495 HB2 SER 107 1HB SER 107 2.299 8.686 24.157 496 HB3 SER 107 2HB SER 107 1.025 7.771 24.950 497 HG SER 107 HG SER 107 1.912 9.346 26.766 498 H GLN 108 H GLN 108 4.334 7.516 27.978 499 HA GLN 108 HA GLN 108 2.037 6.542 29.625 500 HB2 GLN 108 1HB GLN 108 3.801 4.871 29.527 501 HB3 GLN 108 2HB GLN 108 5.027 6.066 29.926 502 HG2 GLN 108 1HG GLN 108 4.580 4.731 31.858 503 HG3 GLN 108 2HG GLN 108 3.945 6.376 32.147 504 HE21 GLN 108 1HE2 GLN 108 0.765 5.267 32.924 505 HE22 GLN 108 2HE2 GLN 108 2.000 6.477 33.037 506 HA PRO 109 HA PRO 109 2.411 10.653 31.338 507 HB2 PRO 109 1HB PRO 109 0.214 9.414 33.030 508 HB3 PRO 109 2HB PRO 109 0.267 11.009 32.269 509 HG2 PRO 109 1HG PRO 109 -1.204 9.110 31.120 510 HG3 PRO 109 2HG PRO 109 -0.203 10.147 30.100 511 HD2 PRO 109 1HD PRO 109 0.350 7.318 31.086 512 HD3 PRO 109 2HD PRO 109 0.605 8.020 29.438 513 H GLY 110 H GLY 110 3.419 11.375 33.194 514 HA2 GLY 110 1HA GLY 110 4.154 11.267 35.453 515 HA3 GLY 110 2HA GLY 110 3.700 9.574 35.523 516 H GLY 111 H GLY 111 5.480 10.647 32.742 517 HA2 GLY 111 1HA GLY 111 8.152 10.469 33.668 518 HA3 GLY 111 2HA GLY 111 7.665 8.847 33.213 519 H LYS 112 H LYS 112 9.510 9.300 31.657 520 HA LYS 112 HA LYS 112 8.765 10.974 29.347 521 HB2 LYS 112 1HB LYS 112 11.219 9.272 29.932 522 HB3 LYS 112 2HB LYS 112 10.997 10.204 28.458 523 HG2 LYS 112 1HG LYS 112 10.885 12.284 29.800 524 HG3 LYS 112 2HG LYS 112 11.150 11.333 31.267 525 HD2 LYS 112 1HD LYS 112 13.320 10.550 30.369 526 HD3 LYS 112 2HD LYS 112 13.054 11.501 28.901 527 HE2 LYS 112 1HE LYS 112 13.001 13.572 30.246 528 HE3 LYS 112 2HE LYS 112 13.249 12.630 31.718 529 HZ1 LYS 112 1HZ LYS 112 15.290 13.563 30.912 530 HZ2 LYS 112 2HZ LYS 112 15.363 11.917 30.834 531 HZ3 LYS 112 3HZ LYS 112 15.131 12.798 29.460 532 HA PRO 113 HA PRO 113 7.018 7.780 27.017 533 HB2 PRO 113 1HB PRO 113 7.514 8.647 24.451 534 HB3 PRO 113 2HB PRO 113 6.349 9.444 25.516 535 HG2 PRO 113 1HG PRO 113 9.255 10.185 24.970 536 HG3 PRO 113 2HG PRO 113 7.838 11.239 24.960 537 HD2 PRO 113 1HD PRO 113 9.453 11.094 27.139 538 HD3 PRO 113 2HD PRO 113 7.662 11.279 27.317 539 H GLN 114 H GLN 114 7.538 5.883 25.886 540 HA GLN 114 HA GLN 114 10.462 5.403 25.543 541 HB2 GLN 114 1HB GLN 114 8.235 3.358 25.896 542 HB3 GLN 114 2HB GLN 114 9.961 3.026 25.847 543 HG2 GLN 114 1HG GLN 114 8.570 4.683 27.962 544 HG3 GLN 114 2HG GLN 114 9.053 2.971 28.121 545 HE21 GLN 114 1HE2 GLN 114 11.613 5.845 29.116 546 HE22 GLN 114 2HE2 GLN 114 9.900 6.038 28.947 547 H LEU 115 H LEU 115 11.241 4.270 23.749 548 HA LEU 115 HA LEU 115 9.381 4.079 21.442 549 HB2 LEU 115 1HB LEU 115 10.398 6.346 21.406 550 HB3 LEU 115 2HB LEU 115 12.005 5.613 21.401 551 HG LEU 115 HG LEU 115 10.146 4.802 19.208 552 HD11 LEU 115 1HD1 LEU 115 10.671 6.831 17.929 553 HD12 LEU 115 2HD1 LEU 115 9.718 7.199 19.386 554 HD13 LEU 115 3HD1 LEU 115 11.467 7.526 19.360 555 HD21 LEU 115 1HD2 LEU 115 12.269 4.895 17.947 556 HD22 LEU 115 2HD2 LEU 115 13.091 5.565 19.377 557 HD23 LEU 115 3HD2 LEU 115 12.442 3.908 19.417 558 H VAL 116 H VAL 116 9.712 2.341 20.233 559 HA VAL 116 HA VAL 116 12.366 0.982 20.463 560 HB VAL 116 HB VAL 116 9.616 -0.305 20.177 561 HG11 VAL 116 1HG1 VAL 116 10.810 -2.432 20.368 562 HG12 VAL 116 2HG1 VAL 116 11.301 -1.521 18.922 563 HG13 VAL 116 3HG1 VAL 116 12.362 -1.562 20.350 564 HG21 VAL 116 1HG2 VAL 116 10.106 -1.227 22.420 565 HG22 VAL 116 2HG2 VAL 116 11.633 -0.314 22.461 566 HG23 VAL 116 3HG2 VAL 116 10.078 0.551 22.448 567 H ALA 117 H ALA 117 13.417 0.642 18.628 568 HA ALA 117 HA ALA 117 12.190 1.445 16.108 569 HB1 ALA 117 1HB ALA 117 14.408 0.925 15.145 570 HB2 ALA 117 2HB ALA 117 14.540 1.975 16.576 571 HB3 ALA 117 3HB ALA 117 14.917 0.242 16.707 572 H GLU 118 H GLU 118 11.479 0.234 14.465 573 HA GLU 118 HA GLU 118 11.885 -2.706 14.604 574 HB2 GLU 118 1HB GLU 118 9.168 -1.373 14.249 575 HB3 GLU 118 2HB GLU 118 9.484 -3.097 14.118 576 HG2 GLU 118 1HG GLU 118 10.180 -3.143 16.485 577 HG3 GLU 118 2HG GLU 118 9.838 -1.420 16.613 578 HA PRO 119 HA PRO 119 12.731 -0.886 10.444 579 HB2 PRO 119 1HB PRO 119 14.527 -3.338 10.606 580 HB3 PRO 119 2HB PRO 119 14.864 -1.761 9.881 581 HG2 PRO 119 1HG PRO 119 15.905 -2.290 12.268 582 HG3 PRO 119 2HG PRO 119 15.184 -0.702 11.991 583 HD2 PRO 119 1HD PRO 119 14.007 -3.121 13.417 584 HD3 PRO 119 2HD PRO 119 13.937 -1.375 13.885 Start of MODEL 4 1 H GLN 38 1H GLN 38 0.206 -0.314 4.722 2 HA GLN 38 HA GLN 38 2.538 0.067 4.629 3 HB2 GLN 38 1HB GLN 38 1.489 -1.104 2.757 4 HB3 GLN 38 2HB GLN 38 1.009 0.420 2.021 5 HG2 GLN 38 1HG GLN 38 2.903 -0.424 0.848 6 HG3 GLN 38 2HG GLN 38 3.428 1.003 1.785 7 HE21 GLN 38 1HE2 GLN 38 6.027 -0.709 3.288 8 HE22 GLN 38 2HE2 GLN 38 5.357 0.769 2.679 9 H ALA 39 H ALA 39 3.925 1.603 5.085 10 HA ALA 39 HA ALA 39 3.408 4.382 4.436 11 HB1 ALA 39 1HB ALA 39 5.646 4.775 5.415 12 HB2 ALA 39 2HB ALA 39 4.635 3.757 6.468 13 HB3 ALA 39 3HB ALA 39 5.916 3.018 5.482 14 HA PRO 40 HA PRO 40 5.116 4.825 0.460 15 HB2 PRO 40 1HB PRO 40 6.573 7.200 1.675 16 HB3 PRO 40 2HB PRO 40 5.627 7.124 0.186 17 HG2 PRO 40 1HG PRO 40 4.506 8.221 2.333 18 HG3 PRO 40 2HG PRO 40 3.544 7.120 1.340 19 HD2 PRO 40 1HD PRO 40 4.970 6.577 3.974 20 HD3 PRO 40 2HD PRO 40 3.326 6.048 3.436 21 H LYS 41 H LYS 41 7.019 4.323 -0.638 22 HA LYS 41 HA LYS 41 8.888 2.746 0.802 23 HB2 LYS 41 1HB LYS 41 8.356 2.437 -1.608 24 HB3 LYS 41 2HB LYS 41 9.164 3.954 -1.980 25 HG2 LYS 41 1HG LYS 41 10.692 2.230 -2.519 26 HG3 LYS 41 2HG LYS 41 11.281 2.951 -1.015 27 HD2 LYS 41 1HD LYS 41 10.227 1.124 0.279 28 HD3 LYS 41 2HD LYS 41 9.627 0.407 -1.224 29 HE2 LYS 41 1HE LYS 41 11.627 -0.772 -0.607 30 HE3 LYS 41 2HE LYS 41 12.012 0.223 -2.013 31 HZ1 LYS 41 1HZ LYS 41 13.704 0.371 -0.338 32 HZ2 LYS 41 2HZ LYS 41 12.981 1.842 -0.529 33 HZ3 LYS 41 3HZ LYS 41 12.624 0.909 0.785 34 H GLY 42 H GLY 42 10.431 3.333 2.123 35 HA2 GLY 42 1HA GLY 42 12.643 4.236 2.401 36 HA3 GLY 42 2HA GLY 42 12.266 5.505 1.251 37 H SER 43 H SER 43 9.578 5.222 3.153 38 HA SER 43 HA SER 43 10.487 7.501 4.847 39 HB2 SER 43 1HB SER 43 8.231 8.251 4.875 40 HB3 SER 43 2HB SER 43 8.588 7.828 3.209 41 HG SER 43 HG SER 43 7.691 5.734 3.748 42 H ALA 44 H ALA 44 8.811 7.662 6.833 43 HA ALA 44 HA ALA 44 8.609 4.974 8.087 44 HB1 ALA 44 1HB ALA 44 9.479 5.893 10.212 45 HB2 ALA 44 2HB ALA 44 10.691 5.978 8.914 46 HB3 ALA 44 3HB ALA 44 9.806 7.442 9.400 47 H PHE 45 H PHE 45 7.121 4.822 9.843 48 HA PHE 45 HA PHE 45 5.092 7.010 9.848 49 HB2 PHE 45 1HB PHE 45 4.330 5.202 8.339 50 HB3 PHE 45 2HB PHE 45 4.529 4.027 9.631 51 HD1 PHE 45 HD1 PHE 45 2.764 7.250 8.936 52 HD2 PHE 45 HD2 PHE 45 2.703 3.465 10.915 53 HE1 PHE 45 HE1 PHE 45 0.448 7.681 9.686 54 HE2 PHE 45 HE2 PHE 45 0.386 3.891 11.665 55 HZ PHE 45 HZ PHE 45 -0.741 6.003 11.052 56 H VAL 46 H VAL 46 4.292 7.558 11.775 57 HA VAL 46 HA VAL 46 5.180 5.892 14.094 58 HB VAL 46 HB VAL 46 4.931 8.928 13.943 59 HG11 VAL 46 1HG1 VAL 46 5.947 8.909 16.168 60 HG12 VAL 46 2HG1 VAL 46 4.377 8.072 16.147 61 HG13 VAL 46 3HG1 VAL 46 5.888 7.131 16.180 62 HG21 VAL 46 1HG2 VAL 46 7.396 8.893 14.154 63 HG22 VAL 46 2HG2 VAL 46 7.375 7.114 14.098 64 HG23 VAL 46 3HG2 VAL 46 6.865 8.057 12.676 65 H ARG 47 H ARG 47 3.595 5.106 15.298 66 HA ARG 47 HA ARG 47 0.980 6.519 15.332 67 HB2 ARG 47 1HB ARG 47 1.808 3.796 16.389 68 HB3 ARG 47 2HB ARG 47 0.203 4.486 16.577 69 HG2 ARG 47 1HG ARG 47 -0.039 4.549 14.110 70 HG3 ARG 47 2HG ARG 47 1.554 3.770 13.965 71 HD2 ARG 47 1HD ARG 47 0.763 1.847 15.158 72 HD3 ARG 47 2HD ARG 47 -0.808 2.632 15.442 73 HE ARG 47 HE ARG 47 -1.402 2.254 13.226 74 HH11 ARG 47 1HH1 ARG 47 1.919 1.275 13.811 75 HH12 ARG 47 2HH1 ARG 47 2.051 0.377 12.314 76 HH21 ARG 47 1HH2 ARG 47 -1.221 1.085 11.287 77 HH22 ARG 47 2HH2 ARG 47 0.274 0.270 10.886 78 H ALA 48 H ALA 48 -0.121 6.247 17.615 79 HA ALA 48 HA ALA 48 1.770 6.812 19.802 80 HB1 ALA 48 1HB ALA 48 0.669 8.953 20.375 81 HB2 ALA 48 2HB ALA 48 1.449 9.020 18.776 82 HB3 ALA 48 3HB ALA 48 -0.315 8.833 18.898 83 H TYR 49 H TYR 49 0.850 6.723 21.888 84 HA TYR 49 HA TYR 49 -2.018 6.439 22.213 85 HB2 TYR 49 1HB TYR 49 -1.487 4.145 21.469 86 HB3 TYR 49 2HB TYR 49 -0.260 4.007 22.721 87 HD1 TYR 49 HD1 TYR 49 -3.907 4.805 22.359 88 HD2 TYR 49 HD2 TYR 49 -0.814 2.978 24.705 89 HE1 TYR 49 HE1 TYR 49 -5.607 3.946 23.931 90 HE2 TYR 49 HE2 TYR 49 -2.515 2.118 26.279 91 HH TYR 49 HH TYR 49 -5.968 2.838 25.827 92 H ASN 50 H ASN 50 -2.392 7.635 23.914 93 HA ASN 50 HA ASN 50 -0.429 8.161 25.949 94 HB2 ASN 50 1HB ASN 50 -2.296 9.701 25.367 95 HB3 ASN 50 2HB ASN 50 -3.439 8.547 26.042 96 HD21 ASN 50 1HD2 ASN 50 -2.874 10.985 28.677 97 HD22 ASN 50 2HD2 ASN 50 -3.625 10.894 27.121 98 H ALA 51 H ALA 51 0.349 6.668 27.233 99 HA ALA 51 HA ALA 51 -1.611 4.833 28.540 100 HB1 ALA 51 1HB ALA 51 0.168 3.114 28.583 101 HB2 ALA 51 2HB ALA 51 -0.243 3.596 26.920 102 HB3 ALA 51 3HB ALA 51 1.240 4.211 27.684 103 H GLY 52 H GLY 52 -0.516 7.470 29.360 104 HA2 GLY 52 1HA GLY 52 1.193 6.739 31.676 105 HA3 GLY 52 2HA GLY 52 0.855 8.364 31.112 106 H ASN 53 H ASN 53 0.352 8.921 33.312 107 HA ASN 53 HA ASN 53 -2.321 7.907 34.194 108 HB2 ASN 53 1HB ASN 53 -1.661 8.437 36.478 109 HB3 ASN 53 2HB ASN 53 -0.509 7.324 35.754 110 HD21 ASN 53 1HD2 ASN 53 1.354 9.951 37.562 111 HD22 ASN 53 2HD2 ASN 53 0.165 8.762 37.969 112 H SER 54 H SER 54 -1.788 10.044 32.273 113 HA SER 54 HA SER 54 -3.565 12.019 33.445 114 HB2 SER 54 1HB SER 54 -2.101 13.930 33.339 115 HB3 SER 54 2HB SER 54 -1.362 12.721 34.377 116 HG SER 54 HG SER 54 -0.439 13.827 32.170 117 H GLU 55 H GLU 55 -4.152 13.722 31.913 118 HA GLU 55 HA GLU 55 -4.186 12.653 29.175 119 HB2 GLU 55 1HB GLU 55 -6.244 13.595 30.210 120 HB3 GLU 55 2HB GLU 55 -5.459 15.161 30.344 121 HG2 GLU 55 1HG GLU 55 -5.279 15.293 27.900 122 HG3 GLU 55 2HG GLU 55 -6.036 13.709 27.753 123 H LEU 56 H LEU 56 -3.020 13.319 27.509 124 HA LEU 56 HA LEU 56 -1.784 15.969 27.474 125 HB2 LEU 56 1HB LEU 56 0.529 15.086 27.244 126 HB3 LEU 56 2HB LEU 56 -0.152 14.839 28.853 127 HG LEU 56 HG LEU 56 -0.733 12.447 27.988 128 HD11 LEU 56 1HD1 LEU 56 0.803 11.636 26.253 129 HD12 LEU 56 2HD1 LEU 56 -0.282 12.901 25.630 130 HD13 LEU 56 3HD1 LEU 56 1.411 13.291 26.018 131 HD21 LEU 56 1HD2 LEU 56 1.521 11.687 28.658 132 HD22 LEU 56 2HD2 LEU 56 2.141 13.342 28.456 133 HD23 LEU 56 3HD2 LEU 56 0.941 12.989 29.724 134 H ASP 57 H ASP 57 -0.566 16.365 25.473 135 HA ASP 57 HA ASP 57 -1.824 14.848 23.247 136 HB2 ASP 57 1HB ASP 57 -0.428 17.552 23.334 137 HB3 ASP 57 2HB ASP 57 -1.005 16.793 21.855 138 H VAL 58 H VAL 58 -0.659 14.023 21.521 139 HA VAL 58 HA VAL 58 2.290 13.834 21.953 140 HB VAL 58 HB VAL 58 0.426 11.618 21.001 141 HG11 VAL 58 1HG1 VAL 58 2.424 10.206 21.018 142 HG12 VAL 58 2HG1 VAL 58 2.565 11.546 19.855 143 HG13 VAL 58 3HG1 VAL 58 3.421 11.624 21.412 144 HG21 VAL 58 1HG2 VAL 58 1.106 10.496 23.098 145 HG22 VAL 58 2HG2 VAL 58 2.058 11.930 23.554 146 HG23 VAL 58 3HG2 VAL 58 0.286 12.041 23.431 147 H SER 59 H SER 59 3.548 14.205 20.234 148 HA SER 59 HA SER 59 2.487 13.885 17.516 149 HB2 SER 59 1HB SER 59 2.875 16.158 16.815 150 HB3 SER 59 2HB SER 59 1.771 16.180 18.181 151 HG SER 59 HG SER 59 4.333 17.089 17.942 152 H VAL 60 H VAL 60 4.167 14.344 15.856 153 HA VAL 60 HA VAL 60 6.937 14.420 16.874 154 HB VAL 60 HB VAL 60 6.380 12.006 16.832 155 HG11 VAL 60 1HG1 VAL 60 5.863 10.887 14.719 156 HG12 VAL 60 2HG1 VAL 60 4.603 12.057 15.178 157 HG13 VAL 60 3HG1 VAL 60 5.777 12.465 13.904 158 HG21 VAL 60 1HG2 VAL 60 8.228 11.290 15.348 159 HG22 VAL 60 2HG2 VAL 60 8.212 12.884 14.559 160 HG23 VAL 60 3HG2 VAL 60 8.673 12.744 16.272 161 H GLY 61 H GLY 61 8.201 15.605 15.605 162 HA2 GLY 61 1HA GLY 61 8.922 16.847 13.782 163 HA3 GLY 61 2HA GLY 61 8.100 15.687 12.756 164 H SER 62 H SER 62 6.523 16.491 11.523 165 HA SER 62 HA SER 62 4.981 18.828 12.569 166 HB2 SER 62 1HB SER 62 4.455 19.354 10.243 167 HB3 SER 62 2HB SER 62 6.193 19.287 10.482 168 HG SER 62 HG SER 62 5.825 16.961 9.856 169 H THR 63 H THR 63 4.753 15.682 12.701 170 HA THR 63 HA THR 63 2.012 15.434 11.584 171 HB THR 63 HB THR 63 3.907 13.331 12.721 172 HG1 THR 63 HG1 THR 63 3.451 12.765 10.282 173 HG21 THR 63 1HG2 THR 63 2.263 11.704 11.874 174 HG22 THR 63 2HG2 THR 63 1.540 12.751 13.117 175 HG23 THR 63 3HG2 THR 63 1.185 13.036 11.398 176 H SER 64 H SER 64 0.348 15.869 12.825 177 HA SER 64 HA SER 64 0.532 15.717 15.743 178 HB2 SER 64 1HB SER 64 -0.839 17.451 14.751 179 HB3 SER 64 2HB SER 64 -1.767 16.268 13.842 180 HG SER 64 HG SER 64 -1.961 15.413 16.208 181 H LEU 65 H LEU 65 0.173 14.005 16.952 182 HA LEU 65 HA LEU 65 -1.078 11.632 15.645 183 HB2 LEU 65 1HB LEU 65 0.740 11.745 18.076 184 HB3 LEU 65 2HB LEU 65 0.136 10.285 17.285 185 HG LEU 65 HG LEU 65 2.024 12.303 16.017 186 HD11 LEU 65 1HD1 LEU 65 3.720 10.555 16.333 187 HD12 LEU 65 2HD1 LEU 65 3.057 11.119 17.885 188 HD13 LEU 65 3HD1 LEU 65 2.531 9.560 17.206 189 HD21 LEU 65 1HD2 LEU 65 2.261 10.552 14.289 190 HD22 LEU 65 2HD2 LEU 65 1.053 9.553 15.132 191 HD23 LEU 65 3HD2 LEU 65 0.576 11.107 14.407 192 H ASN 66 H ASN 66 -2.195 10.120 17.189 193 HA ASN 66 HA ASN 66 -3.288 11.371 19.614 194 HB2 ASN 66 1HB ASN 66 -5.620 11.029 18.998 195 HB3 ASN 66 2HB ASN 66 -4.848 12.138 17.870 196 HD21 ASN 66 1HD2 ASN 66 -6.163 10.293 15.255 197 HD22 ASN 66 2HD2 ASN 66 -6.003 11.815 16.067 198 H ASP 67 H ASP 67 -5.043 9.746 20.542 199 HA ASP 67 HA ASP 67 -3.455 7.476 21.269 200 HB2 ASP 67 1HB ASP 67 -6.378 8.157 21.761 201 HB3 ASP 67 2HB ASP 67 -5.599 6.731 22.432 202 H VAL 68 H VAL 68 -3.090 5.709 20.147 203 HA VAL 68 HA VAL 68 -5.252 4.688 18.365 204 HB VAL 68 HB VAL 68 -2.288 3.978 18.472 205 HG11 VAL 68 1HG1 VAL 68 -2.718 2.732 16.409 206 HG12 VAL 68 2HG1 VAL 68 -3.638 2.078 17.787 207 HG13 VAL 68 3HG1 VAL 68 -4.457 3.078 16.563 208 HG21 VAL 68 1HG2 VAL 68 -2.198 5.154 16.297 209 HG22 VAL 68 2HG2 VAL 68 -3.919 5.578 16.456 210 HG23 VAL 68 3HG2 VAL 68 -2.729 6.246 17.598 211 H ALA 69 H ALA 69 -6.454 3.081 19.079 212 HA ALA 69 HA ALA 69 -5.997 1.843 21.602 213 HB1 ALA 69 1HB ALA 69 -7.880 0.365 20.982 214 HB2 ALA 69 2HB ALA 69 -8.235 2.071 20.624 215 HB3 ALA 69 3HB ALA 69 -7.786 0.961 19.309 216 HA PRO 70 HA PRO 70 -3.153 -1.369 20.920 217 HB2 PRO 70 1HB PRO 70 -5.149 -3.003 22.541 218 HB3 PRO 70 2HB PRO 70 -3.396 -2.888 22.733 219 HG2 PRO 70 1HG PRO 70 -4.927 -1.505 24.406 220 HG3 PRO 70 2HG PRO 70 -3.503 -0.720 23.719 221 HD2 PRO 70 1HD PRO 70 -6.422 -0.452 22.903 222 HD3 PRO 70 2HD PRO 70 -5.155 0.831 23.050 223 H LEU 71 H LEU 71 -2.906 -2.819 19.300 224 HA LEU 71 HA LEU 71 -3.415 -4.239 17.560 225 HB2 LEU 71 1HB LEU 71 -6.028 -4.737 19.028 226 HB3 LEU 71 2HB LEU 71 -5.324 -5.743 17.761 227 HG LEU 71 HG LEU 71 -4.163 -5.314 20.535 228 HD11 LEU 71 1HD1 LEU 71 -4.794 -7.663 20.873 229 HD12 LEU 71 2HD1 LEU 71 -6.212 -6.644 20.536 230 HD13 LEU 71 3HD1 LEU 71 -5.548 -7.693 19.261 231 HD21 LEU 71 1HD2 LEU 71 -2.574 -7.081 19.854 232 HD22 LEU 71 2HD2 LEU 71 -3.296 -7.102 18.227 233 HD23 LEU 71 3HD2 LEU 71 -2.436 -5.654 18.799 234 H GLY 72 H GLY 72 -4.385 -1.362 17.752 235 HA2 GLY 72 1HA GLY 72 -6.274 -1.559 15.430 236 HA3 GLY 72 2HA GLY 72 -6.387 -0.286 16.633 237 H SER 73 H SER 73 -6.210 1.075 14.652 238 HA SER 73 HA SER 73 -3.517 2.096 14.405 239 HB2 SER 73 1HB SER 73 -3.353 0.158 12.881 240 HB3 SER 73 2HB SER 73 -4.739 0.745 11.976 241 HG SER 73 HG SER 73 -3.619 2.424 11.279 242 H SER 74 H SER 74 -3.408 4.092 13.340 243 HA SER 74 HA SER 74 -5.931 5.156 12.207 244 HB2 SER 74 1HB SER 74 -6.032 5.762 14.575 245 HB3 SER 74 2HB SER 74 -4.415 6.443 14.500 246 HG SER 74 HG SER 74 -5.165 7.927 12.997 247 H ASP 75 H ASP 75 -5.672 6.725 10.680 248 HA ASP 75 HA ASP 75 -3.105 6.687 9.365 249 HB2 ASP 75 1HB ASP 75 -5.652 8.263 8.837 250 HB3 ASP 75 2HB ASP 75 -4.229 8.353 7.805 251 H PHE 76 H PHE 76 -1.419 7.976 9.565 252 HA PHE 76 HA PHE 76 -1.898 10.757 10.535 253 HB2 PHE 76 1HB PHE 76 0.439 8.977 11.331 254 HB3 PHE 76 2HB PHE 76 0.227 10.660 11.788 255 HD1 PHE 76 HD1 PHE 76 -0.113 7.406 12.904 256 HD2 PHE 76 HD2 PHE 76 -2.204 11.130 12.889 257 HE1 PHE 76 HE1 PHE 76 -1.379 6.700 14.907 258 HE2 PHE 76 HE2 PHE 76 -3.472 10.429 14.893 259 HZ PHE 76 HZ PHE 76 -3.059 8.212 15.900 260 H LYS 77 H LYS 77 -0.172 12.274 9.956 261 HA LYS 77 HA LYS 77 0.618 12.065 7.219 262 HB2 LYS 77 1HB LYS 77 0.342 14.226 8.376 263 HB3 LYS 77 2HB LYS 77 1.699 13.854 9.431 264 HG2 LYS 77 1HG LYS 77 3.200 13.815 7.448 265 HG3 LYS 77 2HG LYS 77 1.826 14.270 6.431 266 HD2 LYS 77 1HD LYS 77 1.536 16.344 7.742 267 HD3 LYS 77 2HD LYS 77 2.904 15.889 8.767 268 HE2 LYS 77 1HE LYS 77 4.369 15.880 6.741 269 HE3 LYS 77 2HE LYS 77 2.999 16.438 5.777 270 HZ1 LYS 77 1HZ LYS 77 4.396 18.248 6.459 271 HZ2 LYS 77 2HZ LYS 77 2.908 18.402 7.155 272 HZ3 LYS 77 3HZ LYS 77 4.189 17.881 8.052 273 H PHE 78 H PHE 78 2.212 11.050 6.259 274 HA PHE 78 HA PHE 78 4.139 9.546 7.837 275 HB2 PHE 78 1HB PHE 78 3.843 9.957 4.837 276 HB3 PHE 78 2HB PHE 78 5.030 8.889 5.569 277 HD1 PHE 78 HD1 PHE 78 1.506 9.375 4.759 278 HD2 PHE 78 HD2 PHE 78 4.336 6.834 6.707 279 HE1 PHE 78 HE1 PHE 78 -0.163 7.550 4.799 280 HE2 PHE 78 HE2 PHE 78 2.671 5.006 6.746 281 HZ PHE 78 HZ PHE 78 0.421 5.367 5.793 282 H LEU 79 H LEU 79 6.348 9.787 7.953 283 HA LEU 79 HA LEU 79 7.336 12.491 7.144 284 HB2 LEU 79 1HB LEU 79 7.981 10.892 9.647 285 HB3 LEU 79 2HB LEU 79 8.786 12.390 9.176 286 HG LEU 79 HG LEU 79 5.829 12.130 9.835 287 HD11 LEU 79 1HD1 LEU 79 6.432 13.314 11.899 288 HD12 LEU 79 2HD1 LEU 79 7.251 11.740 11.781 289 HD13 LEU 79 3HD1 LEU 79 8.150 13.238 11.441 290 HD21 LEU 79 1HD2 LEU 79 5.906 14.601 9.807 291 HD22 LEU 79 2HD2 LEU 79 7.616 14.543 9.321 292 HD23 LEU 79 3HD2 LEU 79 6.357 13.929 8.222 293 HA PRO 80 HA PRO 80 10.627 10.418 5.030 294 HB2 PRO 80 1HB PRO 80 12.130 12.930 5.788 295 HB3 PRO 80 2HB PRO 80 11.932 12.184 4.195 296 HG2 PRO 80 1HG PRO 80 10.519 14.376 4.766 297 HG3 PRO 80 2HG PRO 80 9.738 13.048 3.904 298 HD2 PRO 80 1HD PRO 80 9.629 13.725 6.879 299 HD3 PRO 80 2HD PRO 80 8.268 13.307 5.760 300 HA PRO 81 HA PRO 81 13.134 8.922 8.335 301 HB2 PRO 81 1HB PRO 81 15.461 8.232 7.046 302 HB3 PRO 81 2HB PRO 81 13.957 7.327 6.830 303 HG2 PRO 81 1HG PRO 81 15.137 9.519 5.072 304 HG3 PRO 81 2HG PRO 81 14.492 7.950 4.579 305 HD2 PRO 81 1HD PRO 81 12.978 10.212 4.433 306 HD3 PRO 81 2HD PRO 81 12.245 8.611 4.862 307 H GLY 82 H GLY 82 14.850 9.514 9.730 308 HA2 GLY 82 1HA GLY 82 17.002 11.032 9.682 309 HA3 GLY 82 2HA GLY 82 15.851 12.286 9.258 310 H SER 83 H SER 83 16.461 13.396 11.202 311 HA SER 83 HA SER 83 15.569 12.092 13.727 312 HB2 SER 83 1HB SER 83 17.860 12.912 13.760 313 HB3 SER 83 2HB SER 83 17.343 14.499 13.211 314 HG SER 83 HG SER 83 15.874 14.113 15.225 315 H TYR 84 H TYR 84 13.514 12.470 14.176 316 HA TYR 84 HA TYR 84 12.535 15.277 13.861 317 HB2 TYR 84 1HB TYR 84 11.039 12.661 13.447 318 HB3 TYR 84 2HB TYR 84 10.239 14.220 13.596 319 HD1 TYR 84 HD1 TYR 84 12.746 12.350 11.570 320 HD2 TYR 84 HD2 TYR 84 9.993 15.635 11.747 321 HE1 TYR 84 HE1 TYR 84 13.050 12.737 9.149 322 HE2 TYR 84 HE2 TYR 84 10.296 16.022 9.326 323 HH TYR 84 HH TYR 84 12.555 14.050 7.419 324 H THR 85 H THR 85 12.473 16.189 15.775 325 HA THR 85 HA THR 85 12.298 14.742 18.236 326 HB THR 85 HB THR 85 11.708 17.684 17.697 327 HG1 THR 85 HG1 THR 85 13.918 17.887 18.404 328 HG21 THR 85 1HG2 THR 85 12.228 17.970 20.088 329 HG22 THR 85 2HG2 THR 85 10.829 16.892 19.867 330 HG23 THR 85 3HG2 THR 85 12.425 16.210 20.260 331 H ALA 86 H ALA 86 10.660 13.941 19.332 332 HA ALA 86 HA ALA 86 7.914 14.689 18.464 333 HB1 ALA 86 1HB ALA 86 7.202 12.626 19.631 334 HB2 ALA 86 2HB ALA 86 8.431 12.291 18.385 335 HB3 ALA 86 3HB ALA 86 8.889 12.322 20.103 336 H GLN 87 H GLN 87 6.238 14.820 20.144 337 HA GLN 87 HA GLN 87 7.326 15.873 22.716 338 HB2 GLN 87 1HB GLN 87 6.684 17.772 21.259 339 HB3 GLN 87 2HB GLN 87 5.076 17.092 21.066 340 HG2 GLN 87 1HG GLN 87 4.642 17.369 23.455 341 HG3 GLN 87 2HG GLN 87 6.288 18.027 23.676 342 HE21 GLN 87 1HE2 GLN 87 3.835 20.828 23.415 343 HE22 GLN 87 2HE2 GLN 87 4.005 19.443 24.439 344 H VAL 88 H VAL 88 6.450 15.054 24.483 345 HA VAL 88 HA VAL 88 3.689 13.931 24.268 346 HB VAL 88 HB VAL 88 6.003 12.792 25.895 347 HG11 VAL 88 1HG1 VAL 88 4.446 10.993 26.469 348 HG12 VAL 88 2HG1 VAL 88 3.887 12.575 27.065 349 HG13 VAL 88 3HG1 VAL 88 3.141 11.854 25.618 350 HG21 VAL 88 1HG2 VAL 88 5.776 10.849 24.379 351 HG22 VAL 88 2HG2 VAL 88 4.515 11.712 23.466 352 HG23 VAL 88 3HG2 VAL 88 6.186 12.326 23.475 353 H GLY 89 H GLY 89 2.512 15.466 25.253 354 HA2 GLY 89 1HA GLY 89 1.712 16.826 26.957 355 HA3 GLY 89 2HA GLY 89 2.748 15.958 28.074 356 H GLN 90 H GLN 90 4.256 17.143 29.045 357 HA GLN 90 HA GLN 90 5.137 19.668 27.744 358 HB2 GLN 90 1HB GLN 90 5.479 18.690 30.608 359 HB3 GLN 90 2HB GLN 90 6.037 20.239 29.996 360 HG2 GLN 90 1HG GLN 90 3.155 19.327 30.107 361 HG3 GLN 90 2HG GLN 90 3.955 20.457 31.235 362 HE21 GLN 90 1HE2 GLN 90 2.092 21.952 28.119 363 HE22 GLN 90 2HE2 GLN 90 1.758 20.452 28.921 364 H GLN 91 H GLN 91 6.063 16.552 27.733 365 HA GLN 91 HA GLN 91 8.971 17.186 27.935 366 HB2 GLN 91 1HB GLN 91 7.562 14.487 27.965 367 HB3 GLN 91 2HB GLN 91 9.296 14.733 28.106 368 HG2 GLN 91 1HG GLN 91 7.236 15.778 30.060 369 HG3 GLN 91 2HG GLN 91 8.213 14.297 30.265 370 HE21 GLN 91 1HE2 GLN 91 9.620 17.714 31.650 371 HE22 GLN 91 2HE2 GLN 91 7.957 17.330 31.350 372 H SER 92 H SER 92 10.346 15.789 26.430 373 HA SER 92 HA SER 92 9.079 15.441 23.776 374 HB2 SER 92 1HB SER 92 10.733 16.812 22.653 375 HB3 SER 92 2HB SER 92 9.884 17.780 23.847 376 HG SER 92 HG SER 92 12.381 17.571 23.626 377 H LEU 93 H LEU 93 10.416 14.288 22.249 378 HA LEU 93 HA LEU 93 12.798 12.936 23.292 379 HB2 LEU 93 1HB LEU 93 10.991 11.588 24.271 380 HB3 LEU 93 2HB LEU 93 10.250 11.395 22.679 381 HG LEU 93 HG LEU 93 12.308 10.151 21.943 382 HD11 LEU 93 1HD1 LEU 93 13.835 9.341 23.684 383 HD12 LEU 93 2HD1 LEU 93 13.871 11.115 23.554 384 HD13 LEU 93 3HD1 LEU 93 12.990 10.339 24.890 385 HD21 LEU 93 1HD2 LEU 93 11.713 8.098 23.183 386 HD22 LEU 93 2HD2 LEU 93 10.836 9.077 24.384 387 HD23 LEU 93 3HD2 LEU 93 10.257 9.001 22.702 388 HA PRO 94 HA PRO 94 13.532 13.500 18.930 389 HB2 PRO 94 1HB PRO 94 15.973 11.922 19.817 390 HB3 PRO 94 2HB PRO 94 15.891 13.363 18.794 391 HG2 PRO 94 1HG PRO 94 16.650 13.666 21.322 392 HG3 PRO 94 2HG PRO 94 15.509 14.825 20.634 393 HD2 PRO 94 1HD PRO 94 14.957 12.431 22.437 394 HD3 PRO 94 2HD PRO 94 14.273 14.104 22.524 395 H VAL 95 H VAL 95 12.665 12.178 17.452 396 HA VAL 95 HA VAL 95 12.799 9.232 17.919 397 HB VAL 95 HB VAL 95 10.895 10.859 16.179 398 HG11 VAL 95 1HG1 VAL 95 9.688 8.754 15.875 399 HG12 VAL 95 2HG1 VAL 95 11.337 8.678 15.211 400 HG13 VAL 95 3HG1 VAL 95 10.965 7.892 16.765 401 HG21 VAL 95 1HG2 VAL 95 9.204 10.172 17.850 402 HG22 VAL 95 2HG2 VAL 95 10.473 9.361 18.800 403 HG23 VAL 95 3HG2 VAL 95 10.501 11.131 18.603 404 H LYS 96 H LYS 96 14.349 8.251 16.822 405 HA LYS 96 HA LYS 96 15.353 9.332 14.294 406 HB2 LYS 96 1HB LYS 96 16.850 8.196 15.930 407 HB3 LYS 96 2HB LYS 96 15.961 6.697 15.694 408 HG2 LYS 96 1HG LYS 96 16.688 6.545 13.395 409 HG3 LYS 96 2HG LYS 96 17.422 8.153 13.474 410 HD2 LYS 96 1HD LYS 96 18.963 7.318 15.260 411 HD3 LYS 96 2HD LYS 96 18.271 5.702 15.060 412 HE2 LYS 96 1HE LYS 96 19.494 7.238 12.751 413 HE3 LYS 96 2HE LYS 96 20.450 6.192 13.803 414 HZ1 LYS 96 1HZ LYS 96 19.702 5.038 11.853 415 HZ2 LYS 96 2HZ LYS 96 19.015 4.368 13.195 416 HZ3 LYS 96 3HZ LYS 96 18.122 5.346 12.210 417 H LEU 97 H LEU 97 14.407 9.066 12.424 418 HA LEU 97 HA LEU 97 12.578 6.742 12.087 419 HB2 LEU 97 1HB LEU 97 12.803 9.326 10.504 420 HB3 LEU 97 2HB LEU 97 11.636 8.037 10.195 421 HG LEU 97 HG LEU 97 11.761 9.810 12.659 422 HD11 LEU 97 1HD1 LEU 97 9.603 10.626 11.822 423 HD12 LEU 97 2HD1 LEU 97 10.913 10.914 10.651 424 HD13 LEU 97 3HD1 LEU 97 9.763 9.581 10.391 425 HD21 LEU 97 1HD2 LEU 97 9.702 8.622 13.330 426 HD22 LEU 97 2HD2 LEU 97 9.861 7.546 11.919 427 HD23 LEU 97 3HD2 LEU 97 11.079 7.500 13.218 428 H ASP 98 H ASP 98 13.426 5.046 11.119 429 HA ASP 98 HA ASP 98 15.516 5.443 9.053 430 HB2 ASP 98 1HB ASP 98 14.432 2.941 10.406 431 HB3 ASP 98 2HB ASP 98 15.633 2.917 9.124 432 HA PRO 99 HA PRO 99 12.920 5.004 5.587 433 HB2 PRO 99 1HB PRO 99 15.031 3.034 4.631 434 HB3 PRO 99 2HB PRO 99 14.315 4.401 3.767 435 HG2 PRO 99 1HG PRO 99 16.752 4.702 4.784 436 HG3 PRO 99 2HG PRO 99 15.586 6.013 4.973 437 HD2 PRO 99 1HD PRO 99 16.422 3.887 6.986 438 HD3 PRO 99 2HD PRO 99 16.158 5.659 7.242 439 H ASP 100 H ASP 100 11.180 3.741 5.227 440 HA ASP 100 HA ASP 100 9.736 1.949 5.335 441 HB2 ASP 100 1HB ASP 100 12.301 0.374 4.863 442 HB3 ASP 100 2HB ASP 100 10.676 -0.276 4.705 443 H SER 101 H SER 101 9.938 2.800 7.738 444 HA SER 101 HA SER 101 9.995 0.318 9.342 445 HB2 SER 101 1HB SER 101 11.356 1.243 11.091 446 HB3 SER 101 2HB SER 101 12.248 1.375 9.583 447 HG SER 101 HG SER 101 11.742 3.490 9.457 448 H TYR 102 H TYR 102 8.958 0.574 11.451 449 HA TYR 102 HA TYR 102 7.007 2.832 11.462 450 HB2 TYR 102 1HB TYR 102 6.366 -0.090 12.034 451 HB3 TYR 102 2HB TYR 102 5.241 1.253 12.165 452 HD1 TYR 102 HD1 TYR 102 7.269 -0.741 9.790 453 HD2 TYR 102 HD2 TYR 102 4.120 2.132 10.271 454 HE1 TYR 102 HE1 TYR 102 6.642 -1.029 7.417 455 HE2 TYR 102 HE2 TYR 102 3.494 1.845 7.898 456 HH TYR 102 HH TYR 102 5.228 -0.448 5.803 457 H TYR 103 H TYR 103 6.357 3.613 13.420 458 HA TYR 103 HA TYR 103 7.697 2.435 15.809 459 HB2 TYR 103 1HB TYR 103 7.632 5.407 15.149 460 HB3 TYR 103 2HB TYR 103 8.354 4.669 16.573 461 HD1 TYR 103 HD1 TYR 103 8.682 5.201 12.948 462 HD2 TYR 103 HD2 TYR 103 10.483 3.531 16.467 463 HE1 TYR 103 HE1 TYR 103 10.829 4.981 11.747 464 HE2 TYR 103 HE2 TYR 103 12.630 3.314 15.265 465 HH TYR 103 HH TYR 103 13.729 3.699 13.378 466 H THR 104 H THR 104 6.713 2.833 17.809 467 HA THR 104 HA THR 104 4.119 4.306 17.685 468 HB THR 104 HB THR 104 4.670 1.782 19.305 469 HG1 THR 104 HG1 THR 104 3.609 0.760 17.758 470 HG21 THR 104 1HG2 THR 104 2.292 1.951 19.915 471 HG22 THR 104 2HG2 THR 104 3.191 3.385 20.467 472 HG23 THR 104 3HG2 THR 104 2.165 3.482 19.017 473 H LEU 105 H LEU 105 4.098 6.019 18.929 474 HA LEU 105 HA LEU 105 6.082 6.157 21.149 475 HB2 LEU 105 1HB LEU 105 6.297 7.906 19.454 476 HB3 LEU 105 2HB LEU 105 4.594 8.337 19.640 477 HG LEU 105 HG LEU 105 5.073 9.065 21.982 478 HD11 LEU 105 1HD1 LEU 105 7.415 9.331 22.666 479 HD12 LEU 105 2HD1 LEU 105 7.000 7.623 22.395 480 HD13 LEU 105 3HD1 LEU 105 7.943 8.513 21.177 481 HD21 LEU 105 1HD2 LEU 105 6.280 11.117 21.314 482 HD22 LEU 105 2HD2 LEU 105 6.793 10.326 19.805 483 HD23 LEU 105 3HD2 LEU 105 5.068 10.660 20.093 484 H VAL 106 H VAL 106 5.332 5.734 23.094 485 HA VAL 106 HA VAL 106 2.482 6.434 23.671 486 HB VAL 106 HB VAL 106 2.446 4.527 25.229 487 HG11 VAL 106 1HG1 VAL 106 2.544 2.708 23.596 488 HG12 VAL 106 2HG1 VAL 106 1.746 4.155 22.934 489 HG13 VAL 106 3HG1 VAL 106 3.420 3.767 22.467 490 HG21 VAL 106 1HG2 VAL 106 4.344 2.943 25.286 491 HG22 VAL 106 2HG2 VAL 106 5.273 4.017 24.212 492 HG23 VAL 106 3HG2 VAL 106 4.835 4.556 25.853 493 H SER 107 H SER 107 1.973 6.977 25.880 494 HA SER 107 HA SER 107 4.134 8.584 27.092 495 HB2 SER 107 1HB SER 107 2.402 9.633 28.372 496 HB3 SER 107 2HB SER 107 1.834 9.509 26.714 497 HG SER 107 HG SER 107 0.243 8.849 28.058 498 H GLN 108 H GLN 108 4.573 8.538 29.370 499 HA GLN 108 HA GLN 108 3.804 5.971 30.694 500 HB2 GLN 108 1HB GLN 108 6.456 7.452 30.920 501 HB3 GLN 108 2HB GLN 108 5.997 6.053 31.884 502 HG2 GLN 108 1HG GLN 108 6.163 6.021 28.865 503 HG3 GLN 108 2HG GLN 108 7.502 5.567 29.955 504 HE21 GLN 108 1HE2 GLN 108 5.107 2.720 28.802 505 HE22 GLN 108 2HE2 GLN 108 5.571 4.147 27.941 506 HA PRO 109 HA PRO 109 2.111 8.110 34.069 507 HB2 PRO 109 1HB PRO 109 4.059 6.484 35.760 508 HB3 PRO 109 2HB PRO 109 2.332 6.759 36.018 509 HG2 PRO 109 1HG PRO 109 3.079 4.435 34.977 510 HG3 PRO 109 2HG PRO 109 1.689 5.267 34.272 511 HD2 PRO 109 1HD PRO 109 4.558 5.137 33.269 512 HD3 PRO 109 2HD PRO 109 3.014 5.039 32.331 513 H GLY 110 H GLY 110 2.562 10.091 34.871 514 HA2 GLY 110 1HA GLY 110 4.020 11.711 35.958 515 HA3 GLY 110 2HA GLY 110 5.415 10.839 35.347 516 H GLY 111 H GLY 111 3.525 10.640 32.772 517 HA2 GLY 111 1HA GLY 111 3.016 11.995 30.915 518 HA3 GLY 111 2HA GLY 111 3.615 13.399 31.778 519 H LYS 112 H LYS 112 5.215 10.279 31.066 520 HA LYS 112 HA LYS 112 7.454 11.855 29.874 521 HB2 LYS 112 1HB LYS 112 7.472 9.140 31.249 522 HB3 LYS 112 2HB LYS 112 8.871 9.882 30.488 523 HG2 LYS 112 1HG LYS 112 8.755 11.758 32.083 524 HG3 LYS 112 2HG LYS 112 7.343 11.016 32.848 525 HD2 LYS 112 1HD LYS 112 8.704 9.013 33.392 526 HD3 LYS 112 2HD LYS 112 10.113 9.779 32.648 527 HE2 LYS 112 1HE LYS 112 9.979 11.623 34.287 528 HE3 LYS 112 2HE LYS 112 8.563 10.871 35.025 529 HZ1 LYS 112 1HZ LYS 112 10.563 10.356 36.219 530 HZ2 LYS 112 2HZ LYS 112 9.931 8.977 35.574 531 HZ3 LYS 112 3HZ LYS 112 11.252 9.682 34.884 532 HA PRO 113 HA PRO 113 6.692 9.853 26.101 533 HB2 PRO 113 1HB PRO 113 9.036 10.342 24.787 534 HB3 PRO 113 2HB PRO 113 7.906 11.643 25.183 535 HG2 PRO 113 1HG PRO 113 10.412 10.766 26.680 536 HG3 PRO 113 2HG PRO 113 9.928 12.402 26.220 537 HD2 PRO 113 1HD PRO 113 9.454 11.409 28.726 538 HD3 PRO 113 2HD PRO 113 8.322 12.573 27.928 539 H GLN 114 H GLN 114 7.161 7.938 24.948 540 HA GLN 114 HA GLN 114 9.560 6.390 25.646 541 HB2 GLN 114 1HB GLN 114 7.983 5.655 27.379 542 HB3 GLN 114 2HB GLN 114 6.757 5.322 26.165 543 HG2 GLN 114 1HG GLN 114 7.755 3.262 26.868 544 HG3 GLN 114 2HG GLN 114 8.243 3.593 25.181 545 HE21 GLN 114 1HE2 GLN 114 11.605 3.220 25.888 546 HE22 GLN 114 2HE2 GLN 114 10.282 3.086 24.776 547 H LEU 115 H LEU 115 10.371 6.078 23.699 548 HA LEU 115 HA LEU 115 8.536 5.634 21.423 549 HB2 LEU 115 1HB LEU 115 10.329 7.279 21.155 550 HB3 LEU 115 2HB LEU 115 11.543 6.061 21.557 551 HG LEU 115 HG LEU 115 10.868 4.802 19.484 552 HD11 LEU 115 1HD1 LEU 115 9.545 6.006 17.801 553 HD12 LEU 115 2HD1 LEU 115 8.603 5.695 19.279 554 HD13 LEU 115 3HD1 LEU 115 9.260 7.319 18.967 555 HD21 LEU 115 1HD2 LEU 115 12.024 6.367 17.962 556 HD22 LEU 115 2HD2 LEU 115 11.773 7.688 19.128 557 HD23 LEU 115 3HD2 LEU 115 12.821 6.313 19.552 558 H VAL 116 H VAL 116 7.975 3.664 20.852 559 HA VAL 116 HA VAL 116 10.007 1.492 21.165 560 HB VAL 116 HB VAL 116 6.972 1.250 21.327 561 HG11 VAL 116 1HG1 VAL 116 7.401 -1.079 21.941 562 HG12 VAL 116 2HG1 VAL 116 7.989 -0.702 20.304 563 HG13 VAL 116 3HG1 VAL 116 9.140 -0.832 21.656 564 HG21 VAL 116 1HG2 VAL 116 7.394 0.674 23.696 565 HG22 VAL 116 2HG2 VAL 116 9.130 0.980 23.459 566 HG23 VAL 116 3HG2 VAL 116 7.964 2.317 23.323 567 H ALA 117 H ALA 117 10.813 1.015 19.244 568 HA ALA 117 HA ALA 117 9.453 1.495 16.766 569 HB1 ALA 117 1HB ALA 117 11.294 0.184 15.761 570 HB2 ALA 117 2HB ALA 117 11.901 1.394 16.917 571 HB3 ALA 117 3HB ALA 117 11.813 -0.319 17.386 572 H GLU 118 H GLU 118 8.057 0.349 15.633 573 HA GLU 118 HA GLU 118 7.742 -2.541 16.235 574 HB2 GLU 118 1HB GLU 118 5.498 -0.488 16.349 575 HB3 GLU 118 2HB GLU 118 5.235 -2.225 16.280 576 HG2 GLU 118 1HG GLU 118 6.481 -2.480 18.404 577 HG3 GLU 118 2HG GLU 118 6.684 -0.732 18.477 578 HA PRO 119 HA PRO 119 7.828 -1.492 11.723 579 HB2 PRO 119 1HB PRO 119 9.133 -4.232 11.904 580 HB3 PRO 119 2HB PRO 119 9.549 -2.871 10.854 581 HG2 PRO 119 1HG PRO 119 11.065 -3.314 12.994 582 HG3 PRO 119 2HG PRO 119 10.597 -1.652 12.614 583 HD2 PRO 119 1HD PRO 119 9.408 -3.558 14.671 584 HD3 PRO 119 2HD PRO 119 9.792 -1.799 14.836 Start of MODEL 5 1 H GLN 38 1H GLN 38 -1.656 1.521 -0.061 2 HA GLN 38 HA GLN 38 -0.686 2.636 1.786 3 HB2 GLN 38 1HB GLN 38 1.181 0.728 0.319 4 HB3 GLN 38 2HB GLN 38 1.301 1.148 2.022 5 HG2 GLN 38 1HG GLN 38 -1.053 -0.239 0.719 6 HG3 GLN 38 2HG GLN 38 0.233 -1.021 1.681 7 HE21 GLN 38 1HE2 GLN 38 -3.021 0.170 3.533 8 HE22 GLN 38 2HE2 GLN 38 -2.870 -0.272 1.864 9 H ALA 39 H ALA 39 1.671 3.160 2.558 10 HA ALA 39 HA ALA 39 2.413 5.595 1.197 11 HB1 ALA 39 1HB ALA 39 4.206 5.720 2.896 12 HB2 ALA 39 2HB ALA 39 2.625 5.361 3.631 13 HB3 ALA 39 3HB ALA 39 3.822 4.061 3.413 14 HA PRO 40 HA PRO 40 5.226 4.272 -1.809 15 HB2 PRO 40 1HB PRO 40 6.918 6.600 -0.828 16 HB3 PRO 40 2HB PRO 40 6.446 6.190 -2.481 17 HG2 PRO 40 1HG PRO 40 5.145 8.157 -1.252 18 HG3 PRO 40 2HG PRO 40 4.219 6.983 -2.191 19 HD2 PRO 40 1HD PRO 40 4.632 7.131 0.820 20 HD3 PRO 40 2HD PRO 40 3.121 6.773 -0.106 21 H LYS 41 H LYS 41 6.962 2.906 -1.896 22 HA LYS 41 HA LYS 41 8.208 1.951 0.483 23 HB2 LYS 41 1HB LYS 41 8.009 0.639 -1.624 24 HB3 LYS 41 2HB LYS 41 9.164 1.713 -2.399 25 HG2 LYS 41 1HG LYS 41 10.915 1.003 -0.841 26 HG3 LYS 41 2HG LYS 41 9.758 -0.028 0.011 27 HD2 LYS 41 1HD LYS 41 9.402 -1.345 -2.051 28 HD3 LYS 41 2HD LYS 41 10.554 -0.312 -2.911 29 HE2 LYS 41 1HE LYS 41 12.342 -1.001 -1.344 30 HE3 LYS 41 2HE LYS 41 11.195 -2.033 -0.486 31 HZ1 LYS 41 1HZ LYS 41 12.497 -3.272 -2.054 32 HZ2 LYS 41 2HZ LYS 41 10.910 -3.296 -2.505 33 HZ3 LYS 41 3HZ LYS 41 11.982 -2.331 -3.306 34 H GLY 42 H GLY 42 9.937 2.523 1.604 35 HA2 GLY 42 1HA GLY 42 12.111 3.543 1.866 36 HA3 GLY 42 2HA GLY 42 11.809 4.533 0.450 37 H SER 43 H SER 43 8.966 4.495 2.156 38 HA SER 43 HA SER 43 9.518 7.097 3.424 39 HB2 SER 43 1HB SER 43 7.131 7.191 3.811 40 HB3 SER 43 2HB SER 43 7.430 6.716 2.146 41 HG SER 43 HG SER 43 6.841 4.722 2.565 42 H ALA 44 H ALA 44 8.780 7.527 5.637 43 HA ALA 44 HA ALA 44 9.579 5.268 7.392 44 HB1 ALA 44 1HB ALA 44 9.919 7.010 9.116 45 HB2 ALA 44 2HB ALA 44 10.860 7.347 7.644 46 HB3 ALA 44 3HB ALA 44 9.359 8.247 7.965 47 H PHE 45 H PHE 45 8.403 4.652 9.197 48 HA PHE 45 HA PHE 45 5.559 5.580 9.176 49 HB2 PHE 45 1HB PHE 45 6.622 2.799 9.819 50 HB3 PHE 45 2HB PHE 45 4.941 3.296 9.925 51 HD1 PHE 45 HD1 PHE 45 7.712 2.497 7.658 52 HD2 PHE 45 HD2 PHE 45 3.597 3.614 7.939 53 HE1 PHE 45 HE1 PHE 45 7.383 1.882 5.286 54 HE2 PHE 45 HE2 PHE 45 3.266 2.999 5.568 55 HZ PHE 45 HZ PHE 45 5.161 2.132 4.240 56 H VAL 46 H VAL 46 4.598 6.073 11.071 57 HA VAL 46 HA VAL 46 6.001 5.479 13.601 58 HB VAL 46 HB VAL 46 6.941 7.660 12.763 59 HG11 VAL 46 1HG1 VAL 46 5.507 9.643 12.760 60 HG12 VAL 46 2HG1 VAL 46 5.000 8.451 11.541 61 HG13 VAL 46 3HG1 VAL 46 4.087 8.615 13.060 62 HG21 VAL 46 1HG2 VAL 46 6.558 8.887 14.877 63 HG22 VAL 46 2HG2 VAL 46 5.173 7.829 15.238 64 HG23 VAL 46 3HG2 VAL 46 6.817 7.153 15.178 65 H ARG 47 H ARG 47 4.681 5.420 15.371 66 HA ARG 47 HA ARG 47 1.904 6.413 15.082 67 HB2 ARG 47 1HB ARG 47 0.939 4.330 15.879 68 HB3 ARG 47 2HB ARG 47 1.843 4.037 14.400 69 HG2 ARG 47 1HG ARG 47 3.716 3.133 15.716 70 HG3 ARG 47 2HG ARG 47 2.791 3.419 17.210 71 HD2 ARG 47 1HD ARG 47 1.073 1.906 16.468 72 HD3 ARG 47 2HD ARG 47 1.920 1.667 14.923 73 HE ARG 47 HE ARG 47 3.699 1.049 17.027 74 HH11 ARG 47 1HH1 ARG 47 0.745 -0.166 15.563 75 HH12 ARG 47 2HH1 ARG 47 1.068 -1.831 15.992 76 HH21 ARG 47 1HH2 ARG 47 4.108 -1.116 17.577 77 HH22 ARG 47 2HH2 ARG 47 2.972 -2.370 17.133 78 H ALA 48 H ALA 48 0.832 6.819 17.039 79 HA ALA 48 HA ALA 48 2.618 6.984 19.393 80 HB1 ALA 48 1HB ALA 48 0.808 8.346 20.384 81 HB2 ALA 48 2HB ALA 48 1.327 8.987 18.807 82 HB3 ALA 48 3HB ALA 48 -0.187 8.063 18.936 83 H TYR 49 H TYR 49 2.014 6.205 21.455 84 HA TYR 49 HA TYR 49 -0.216 4.235 21.474 85 HB2 TYR 49 1HB TYR 49 1.841 2.931 21.160 86 HB3 TYR 49 2HB TYR 49 2.600 3.743 22.520 87 HD1 TYR 49 HD1 TYR 49 -0.360 1.628 21.657 88 HD2 TYR 49 HD2 TYR 49 2.474 2.826 24.647 89 HE1 TYR 49 HE1 TYR 49 -1.235 -0.108 23.182 90 HE2 TYR 49 HE2 TYR 49 1.600 1.089 26.173 91 HH TYR 49 HH TYR 49 -1.077 -1.039 25.195 92 H ASN 50 H ASN 50 -1.506 4.342 23.176 93 HA ASN 50 HA ASN 50 -0.739 6.316 25.273 94 HB2 ASN 50 1HB ASN 50 -2.768 6.831 23.965 95 HB3 ASN 50 2HB ASN 50 -3.476 5.295 24.446 96 HD21 ASN 50 1HD2 ASN 50 -4.739 8.026 26.636 97 HD22 ASN 50 2HD2 ASN 50 -4.687 7.753 24.926 98 H ALA 51 H ALA 51 0.432 5.073 26.664 99 HA ALA 51 HA ALA 51 -0.709 2.609 27.741 100 HB1 ALA 51 1HB ALA 51 1.265 2.636 29.230 101 HB2 ALA 51 2HB ALA 51 1.723 2.855 27.526 102 HB3 ALA 51 3HB ALA 51 1.691 4.254 28.624 103 H GLY 52 H GLY 52 -2.764 3.757 28.290 104 HA2 GLY 52 1HA GLY 52 -3.084 3.964 31.070 105 HA3 GLY 52 2HA GLY 52 -2.805 5.605 30.515 106 H ASN 53 H ASN 53 -5.136 5.418 31.600 107 HA ASN 53 HA ASN 53 -7.140 4.539 29.587 108 HB2 ASN 53 1HB ASN 53 -7.385 5.243 32.528 109 HB3 ASN 53 2HB ASN 53 -8.757 4.881 31.491 110 HD21 ASN 53 1HD2 ASN 53 -7.317 1.880 33.371 111 HD22 ASN 53 2HD2 ASN 53 -7.541 3.522 33.874 112 H SER 54 H SER 54 -5.517 7.305 30.504 113 HA SER 54 HA SER 54 -7.799 9.070 29.777 114 HB2 SER 54 1HB SER 54 -6.583 9.710 31.782 115 HB3 SER 54 2HB SER 54 -5.051 9.660 30.922 116 HG SER 54 HG SER 54 -6.010 11.255 29.506 117 H GLU 55 H GLU 55 -7.914 10.162 27.920 118 HA GLU 55 HA GLU 55 -6.248 9.497 25.709 119 HB2 GLU 55 1HB GLU 55 -8.120 11.852 26.164 120 HB3 GLU 55 2HB GLU 55 -7.345 11.507 24.625 121 HG2 GLU 55 1HG GLU 55 -9.371 10.517 24.301 122 HG3 GLU 55 2HG GLU 55 -8.452 9.146 24.913 123 H LEU 56 H LEU 56 -4.569 10.502 24.701 124 HA LEU 56 HA LEU 56 -3.267 12.683 26.274 125 HB2 LEU 56 1HB LEU 56 -1.948 10.280 24.961 126 HB3 LEU 56 2HB LEU 56 -1.084 11.630 25.704 127 HG LEU 56 HG LEU 56 -2.938 9.732 27.189 128 HD11 LEU 56 1HD1 LEU 56 -0.864 8.799 28.113 129 HD12 LEU 56 2HD1 LEU 56 -0.949 8.592 26.348 130 HD13 LEU 56 3HD1 LEU 56 0.088 9.859 27.048 131 HD21 LEU 56 1HD2 LEU 56 -1.942 10.799 29.183 132 HD22 LEU 56 2HD2 LEU 56 -1.002 11.887 28.134 133 HD23 LEU 56 3HD2 LEU 56 -2.779 11.997 28.168 134 H ASP 57 H ASP 57 -2.227 14.281 25.162 135 HA ASP 57 HA ASP 57 -2.512 14.193 22.196 136 HB2 ASP 57 1HB ASP 57 -2.154 16.551 24.090 137 HB3 ASP 57 2HB ASP 57 -2.179 16.681 22.336 138 H VAL 58 H VAL 58 -0.760 13.529 21.186 139 HA VAL 58 HA VAL 58 1.874 14.547 22.155 140 HB VAL 58 HB VAL 58 2.893 12.376 21.620 141 HG11 VAL 58 1HG1 VAL 58 1.928 11.042 23.430 142 HG12 VAL 58 2HG1 VAL 58 2.121 12.750 23.891 143 HG13 VAL 58 3HG1 VAL 58 0.512 12.119 23.468 144 HG21 VAL 58 1HG2 VAL 58 1.460 10.434 21.072 145 HG22 VAL 58 2HG2 VAL 58 0.034 11.498 21.032 146 HG23 VAL 58 3HG2 VAL 58 1.330 11.702 19.829 147 H SER 59 H SER 59 3.604 14.315 20.471 148 HA SER 59 HA SER 59 2.608 14.305 17.692 149 HB2 SER 59 1HB SER 59 3.541 16.475 17.160 150 HB3 SER 59 2HB SER 59 2.365 16.650 18.454 151 HG SER 59 HG SER 59 4.895 17.325 18.419 152 H VAL 60 H VAL 60 4.282 14.177 16.105 153 HA VAL 60 HA VAL 60 6.983 13.566 17.230 154 HB VAL 60 HB VAL 60 5.652 12.174 14.867 155 HG11 VAL 60 1HG1 VAL 60 7.586 10.678 14.954 156 HG12 VAL 60 2HG1 VAL 60 8.059 12.361 14.621 157 HG13 VAL 60 3HG1 VAL 60 8.297 11.674 16.246 158 HG21 VAL 60 1HG2 VAL 60 5.597 10.198 16.355 159 HG22 VAL 60 2HG2 VAL 60 6.241 11.185 17.688 160 HG23 VAL 60 3HG2 VAL 60 4.629 11.532 17.022 161 H GLY 61 H GLY 61 7.654 15.694 16.792 162 HA2 GLY 61 1HA GLY 61 8.670 17.322 15.479 163 HA3 GLY 61 2HA GLY 61 8.684 16.177 14.151 164 H SER 62 H SER 62 7.439 16.618 12.443 165 HA SER 62 HA SER 62 5.538 18.852 12.602 166 HB2 SER 62 1HB SER 62 5.427 18.676 10.200 167 HB3 SER 62 2HB SER 62 7.113 18.578 10.690 168 HG SER 62 HG SER 62 5.497 16.315 10.318 169 H THR 63 H THR 63 5.433 15.495 13.013 170 HA THR 63 HA THR 63 2.730 15.149 11.915 171 HB THR 63 HB THR 63 4.510 13.248 13.503 172 HG1 THR 63 HG1 THR 63 5.420 13.172 11.585 173 HG21 THR 63 1HG2 THR 63 2.929 11.509 12.764 174 HG22 THR 63 2HG2 THR 63 2.109 12.726 13.771 175 HG23 THR 63 3HG2 THR 63 1.909 12.752 12.004 176 H SER 64 H SER 64 0.900 15.449 12.948 177 HA SER 64 HA SER 64 1.020 15.862 15.896 178 HB2 SER 64 1HB SER 64 0.117 17.744 14.665 179 HB3 SER 64 2HB SER 64 -1.010 16.707 13.807 180 HG SER 64 HG SER 64 -1.225 16.337 16.437 181 H LEU 65 H LEU 65 0.367 14.292 17.166 182 HA LEU 65 HA LEU 65 -1.762 12.458 16.148 183 HB2 LEU 65 1HB LEU 65 0.625 11.736 17.883 184 HB3 LEU 65 2HB LEU 65 -0.674 10.636 17.414 185 HG LEU 65 HG LEU 65 1.221 11.967 15.449 186 HD11 LEU 65 1HD1 LEU 65 2.319 9.774 15.341 187 HD12 LEU 65 2HD1 LEU 65 2.434 10.488 16.968 188 HD13 LEU 65 3HD1 LEU 65 1.266 9.183 16.648 189 HD21 LEU 65 1HD2 LEU 65 0.314 10.259 13.910 190 HD22 LEU 65 2HD2 LEU 65 -0.768 9.674 15.197 191 HD23 LEU 65 3HD2 LEU 65 -0.980 11.311 14.533 192 H ASN 66 H ASN 66 -3.072 14.183 17.266 193 HA ASN 66 HA ASN 66 -2.815 14.172 20.214 194 HB2 ASN 66 1HB ASN 66 -4.518 15.842 18.336 195 HB3 ASN 66 2HB ASN 66 -4.514 16.005 20.087 196 HD21 ASN 66 1HD2 ASN 66 -2.105 18.334 18.252 197 HD22 ASN 66 2HD2 ASN 66 -3.707 17.821 17.843 198 H ASP 67 H ASP 67 -4.671 13.960 21.593 199 HA ASP 67 HA ASP 67 -6.444 12.723 22.385 200 HB2 ASP 67 1HB ASP 67 -7.569 14.282 20.674 201 HB3 ASP 67 2HB ASP 67 -7.595 12.904 19.580 202 H VAL 68 H VAL 68 -4.508 11.057 22.107 203 HA VAL 68 HA VAL 68 -5.184 8.850 20.303 204 HB VAL 68 HB VAL 68 -3.174 9.006 22.592 205 HG11 VAL 68 1HG1 VAL 68 -2.148 7.045 21.549 206 HG12 VAL 68 2HG1 VAL 68 -3.808 6.716 22.098 207 HG13 VAL 68 3HG1 VAL 68 -3.478 6.978 20.368 208 HG21 VAL 68 1HG2 VAL 68 -1.517 9.318 20.780 209 HG22 VAL 68 2HG2 VAL 68 -2.833 9.326 19.581 210 HG23 VAL 68 3HG2 VAL 68 -2.720 10.631 20.786 211 H ALA 69 H ALA 69 -6.302 7.048 20.755 212 HA ALA 69 HA ALA 69 -8.208 7.244 22.859 213 HB1 ALA 69 1HB ALA 69 -8.922 4.987 22.140 214 HB2 ALA 69 2HB ALA 69 -8.672 6.073 20.753 215 HB3 ALA 69 3HB ALA 69 -7.449 4.844 21.153 216 HA PRO 70 HA PRO 70 -6.328 5.574 26.394 217 HB2 PRO 70 1HB PRO 70 -8.942 4.046 26.686 218 HB3 PRO 70 2HB PRO 70 -8.081 5.015 27.888 219 HG2 PRO 70 1HG PRO 70 -10.208 6.086 26.707 220 HG3 PRO 70 2HG PRO 70 -8.765 7.082 26.920 221 HD2 PRO 70 1HD PRO 70 -9.735 5.618 24.432 222 HD3 PRO 70 2HD PRO 70 -9.055 7.287 24.577 223 H LEU 71 H LEU 71 -4.950 3.905 26.603 224 HA LEU 71 HA LEU 71 -3.843 1.954 26.063 225 HB2 LEU 71 1HB LEU 71 -6.656 0.809 26.200 226 HB3 LEU 71 2HB LEU 71 -5.155 -0.115 26.312 227 HG LEU 71 HG LEU 71 -6.107 1.957 28.323 228 HD11 LEU 71 1HD1 LEU 71 -6.463 0.009 29.773 229 HD12 LEU 71 2HD1 LEU 71 -7.475 -0.065 28.312 230 HD13 LEU 71 3HD1 LEU 71 -6.013 -1.071 28.432 231 HD21 LEU 71 1HD2 LEU 71 -4.213 1.117 29.670 232 HD22 LEU 71 2HD2 LEU 71 -3.730 0.052 28.328 233 HD23 LEU 71 3HD2 LEU 71 -3.645 1.818 28.135 234 H GLY 72 H GLY 72 -4.672 3.592 23.837 235 HA2 GLY 72 1HA GLY 72 -4.994 1.462 21.747 236 HA3 GLY 72 2HA GLY 72 -5.781 3.023 21.622 237 H SER 73 H SER 73 -4.643 3.187 19.560 238 HA SER 73 HA SER 73 -1.992 4.435 19.904 239 HB2 SER 73 1HB SER 73 -0.913 3.070 18.227 240 HB3 SER 73 2HB SER 73 -1.533 2.026 19.496 241 HG SER 73 HG SER 73 -2.214 2.229 16.878 242 H SER 74 H SER 74 -1.213 5.420 17.841 243 HA SER 74 HA SER 74 -3.434 6.053 15.969 244 HB2 SER 74 1HB SER 74 -3.383 7.855 17.639 245 HB3 SER 74 2HB SER 74 -1.667 8.099 17.348 246 HG SER 74 HG SER 74 -2.697 8.176 15.018 247 H ASP 75 H ASP 75 -2.639 5.109 14.192 248 HA ASP 75 HA ASP 75 0.215 5.120 13.614 249 HB2 ASP 75 1HB ASP 75 -2.188 4.203 11.984 250 HB3 ASP 75 2HB ASP 75 -0.517 3.996 11.477 251 H PHE 76 H PHE 76 1.285 6.101 11.901 252 HA PHE 76 HA PHE 76 -0.260 8.016 10.246 253 HB2 PHE 76 1HB PHE 76 0.683 9.288 12.198 254 HB3 PHE 76 2HB PHE 76 2.295 8.791 11.708 255 HD1 PHE 76 HD1 PHE 76 -0.673 10.747 10.676 256 HD2 PHE 76 HD2 PHE 76 3.453 9.902 9.972 257 HE1 PHE 76 HE1 PHE 76 -0.533 12.700 9.167 258 HE2 PHE 76 HE2 PHE 76 3.601 11.855 8.464 259 HZ PHE 76 HZ PHE 76 1.603 13.254 8.060 260 H LYS 77 H LYS 77 0.268 7.900 8.180 261 HA LYS 77 HA LYS 77 2.851 6.552 7.501 262 HB2 LYS 77 1HB LYS 77 0.193 6.457 6.015 263 HB3 LYS 77 2HB LYS 77 1.691 5.735 5.446 264 HG2 LYS 77 1HG LYS 77 1.723 4.218 7.371 265 HG3 LYS 77 2HG LYS 77 0.249 4.965 8.000 266 HD2 LYS 77 1HD LYS 77 -0.955 4.293 5.930 267 HD3 LYS 77 2HD LYS 77 0.519 3.510 5.343 268 HE2 LYS 77 1HE LYS 77 0.496 1.956 7.223 269 HE3 LYS 77 2HE LYS 77 -0.883 2.789 7.942 270 HZ1 LYS 77 1HZ LYS 77 -1.553 0.828 6.763 271 HZ2 LYS 77 2HZ LYS 77 -2.186 2.161 6.027 272 HZ3 LYS 77 3HZ LYS 77 -0.897 1.382 5.355 273 H PHE 78 H PHE 78 3.352 6.974 5.048 274 HA PHE 78 HA PHE 78 3.942 8.476 3.404 275 HB2 PHE 78 1HB PHE 78 1.616 10.123 4.478 276 HB3 PHE 78 2HB PHE 78 2.438 10.390 2.950 277 HD1 PHE 78 HD1 PHE 78 -0.079 8.485 4.702 278 HD2 PHE 78 HD2 PHE 78 2.278 8.662 1.142 279 HE1 PHE 78 HE1 PHE 78 -1.639 6.921 3.593 280 HE2 PHE 78 HE2 PHE 78 0.717 7.103 0.029 281 HZ PHE 78 HZ PHE 78 -1.241 6.232 1.255 282 H LEU 79 H LEU 79 5.142 8.592 6.046 283 HA LEU 79 HA LEU 79 5.719 11.499 6.320 284 HB2 LEU 79 1HB LEU 79 5.032 10.325 8.364 285 HB3 LEU 79 2HB LEU 79 6.338 9.156 8.153 286 HG LEU 79 HG LEU 79 7.986 11.026 8.443 287 HD11 LEU 79 1HD1 LEU 79 7.167 13.148 9.365 288 HD12 LEU 79 2HD1 LEU 79 6.539 12.858 7.726 289 HD13 LEU 79 3HD1 LEU 79 5.490 12.599 9.139 290 HD21 LEU 79 1HD2 LEU 79 7.628 11.203 10.883 291 HD22 LEU 79 2HD2 LEU 79 5.956 10.626 10.679 292 HD23 LEU 79 3HD2 LEU 79 7.323 9.547 10.309 293 HA PRO 80 HA PRO 80 9.442 10.738 4.003 294 HB2 PRO 80 1HB PRO 80 9.940 13.511 5.149 295 HB3 PRO 80 2HB PRO 80 10.193 12.928 3.499 296 HG2 PRO 80 1HG PRO 80 8.039 14.407 3.988 297 HG3 PRO 80 2HG PRO 80 7.868 12.968 2.978 298 HD2 PRO 80 1HD PRO 80 7.198 13.333 5.928 299 HD3 PRO 80 2HD PRO 80 6.242 12.499 4.637 300 HA PRO 81 HA PRO 81 11.805 9.345 7.513 301 HB2 PRO 81 1HB PRO 81 13.943 9.237 5.359 302 HB3 PRO 81 2HB PRO 81 13.484 7.999 6.536 303 HG2 PRO 81 1HG PRO 81 12.649 7.728 4.021 304 HG3 PRO 81 2HG PRO 81 11.525 7.380 5.339 305 HD2 PRO 81 1HD PRO 81 11.755 9.890 3.624 306 HD3 PRO 81 2HD PRO 81 10.268 8.999 4.147 307 H GLY 82 H GLY 82 13.368 10.247 8.863 308 HA2 GLY 82 1HA GLY 82 15.429 11.979 8.432 309 HA3 GLY 82 2HA GLY 82 14.051 13.055 8.295 310 H SER 83 H SER 83 15.447 13.900 10.217 311 HA SER 83 HA SER 83 14.928 12.501 12.750 312 HB2 SER 83 1HB SER 83 17.070 13.595 12.481 313 HB3 SER 83 2HB SER 83 16.301 15.120 12.074 314 HG SER 83 HG SER 83 15.221 14.525 14.280 315 H TYR 84 H TYR 84 13.207 12.772 13.970 316 HA TYR 84 HA TYR 84 11.809 15.406 13.861 317 HB2 TYR 84 1HB TYR 84 10.499 12.657 13.942 318 HB3 TYR 84 2HB TYR 84 9.646 14.180 14.152 319 HD1 TYR 84 HD1 TYR 84 11.375 11.988 11.767 320 HD2 TYR 84 HD2 TYR 84 9.238 15.671 12.285 321 HE1 TYR 84 HE1 TYR 84 11.076 12.159 9.318 322 HE2 TYR 84 HE2 TYR 84 8.937 15.841 9.838 323 HH TYR 84 HH TYR 84 9.992 13.256 7.671 324 H THR 85 H THR 85 11.009 16.204 15.749 325 HA THR 85 HA THR 85 12.034 14.841 18.183 326 HB THR 85 HB THR 85 11.054 17.700 17.779 327 HG1 THR 85 HG1 THR 85 13.323 18.125 18.065 328 HG21 THR 85 1HG2 THR 85 11.968 18.085 20.033 329 HG22 THR 85 2HG2 THR 85 10.662 16.877 20.075 330 HG23 THR 85 3HG2 THR 85 12.362 16.355 20.174 331 H ALA 86 H ALA 86 10.660 13.500 19.103 332 HA ALA 86 HA ALA 86 7.785 13.865 18.918 333 HB1 ALA 86 1HB ALA 86 7.684 11.894 20.412 334 HB2 ALA 86 2HB ALA 86 8.771 11.621 19.029 335 HB3 ALA 86 3HB ALA 86 9.445 11.985 20.634 336 H GLN 87 H GLN 87 6.319 14.238 20.608 337 HA GLN 87 HA GLN 87 7.482 15.530 23.026 338 HB2 GLN 87 1HB GLN 87 6.923 17.328 21.418 339 HB3 GLN 87 2HB GLN 87 5.284 16.710 21.279 340 HG2 GLN 87 1HG GLN 87 5.253 18.600 22.725 341 HG3 GLN 87 2HG GLN 87 4.974 17.144 23.724 342 HE21 GLN 87 1HE2 GLN 87 7.481 18.010 25.939 343 HE22 GLN 87 2HE2 GLN 87 5.923 17.322 25.635 344 H VAL 88 H VAL 88 6.784 14.450 24.716 345 HA VAL 88 HA VAL 88 3.863 13.832 24.814 346 HB VAL 88 HB VAL 88 6.117 12.193 26.050 347 HG11 VAL 88 1HG1 VAL 88 4.347 10.619 26.662 348 HG12 VAL 88 2HG1 VAL 88 4.124 12.205 27.436 349 HG13 VAL 88 3HG1 VAL 88 3.125 11.749 26.034 350 HG21 VAL 88 1HG2 VAL 88 5.415 10.461 24.428 351 HG22 VAL 88 2HG2 VAL 88 4.232 11.594 23.733 352 HG23 VAL 88 3HG2 VAL 88 5.973 11.932 23.597 353 H GLY 89 H GLY 89 3.039 15.352 26.098 354 HA2 GLY 89 1HA GLY 89 2.616 16.545 28.045 355 HA3 GLY 89 2HA GLY 89 3.676 15.435 28.895 356 H GLN 90 H GLN 90 5.557 16.198 29.649 357 HA GLN 90 HA GLN 90 6.542 18.785 28.524 358 HB2 GLN 90 1HB GLN 90 6.810 17.700 31.357 359 HB3 GLN 90 2HB GLN 90 7.540 19.189 30.775 360 HG2 GLN 90 1HG GLN 90 4.567 18.631 30.863 361 HG3 GLN 90 2HG GLN 90 5.493 19.578 32.064 362 HE21 GLN 90 1HE2 GLN 90 3.845 21.528 29.105 363 HE22 GLN 90 2HE2 GLN 90 3.302 20.059 29.846 364 H GLN 91 H GLN 91 7.117 15.830 27.904 365 HA GLN 91 HA GLN 91 10.084 16.097 28.128 366 HB2 GLN 91 1HB GLN 91 9.342 14.354 29.684 367 HB3 GLN 91 2HB GLN 91 8.417 13.565 28.414 368 HG2 GLN 91 1HG GLN 91 10.419 12.332 28.732 369 HG3 GLN 91 2HG GLN 91 10.567 13.195 27.174 370 HE21 GLN 91 1HE2 GLN 91 13.562 14.692 28.027 371 HE22 GLN 91 2HE2 GLN 91 12.463 14.122 26.816 372 H SER 92 H SER 92 10.936 16.409 26.215 373 HA SER 92 HA SER 92 9.575 15.370 23.808 374 HB2 SER 92 1HB SER 92 11.178 16.690 22.567 375 HB3 SER 92 2HB SER 92 10.495 17.677 23.850 376 HG SER 92 HG SER 92 12.722 17.870 23.716 377 H LEU 93 H LEU 93 10.675 14.131 22.200 378 HA LEU 93 HA LEU 93 13.047 12.624 23.154 379 HB2 LEU 93 1HB LEU 93 10.436 11.372 22.234 380 HB3 LEU 93 2HB LEU 93 11.956 10.488 22.402 381 HG LEU 93 HG LEU 93 10.523 11.887 24.686 382 HD11 LEU 93 1HD1 LEU 93 9.872 9.622 25.374 383 HD12 LEU 93 2HD1 LEU 93 9.189 10.049 23.788 384 HD13 LEU 93 3HD1 LEU 93 10.596 8.964 23.889 385 HD21 LEU 93 1HD2 LEU 93 12.091 10.569 26.066 386 HD22 LEU 93 2HD2 LEU 93 12.848 9.921 24.590 387 HD23 LEU 93 3HD2 LEU 93 12.969 11.658 24.965 388 HA PRO 94 HA PRO 94 13.606 13.936 18.795 389 HB2 PRO 94 1HB PRO 94 16.422 13.536 19.857 390 HB3 PRO 94 2HB PRO 94 15.802 14.811 18.800 391 HG2 PRO 94 1HG PRO 94 16.215 15.390 21.365 392 HG3 PRO 94 2HG PRO 94 14.740 15.972 20.589 393 HD2 PRO 94 1HD PRO 94 15.127 13.551 22.400 394 HD3 PRO 94 2HD PRO 94 13.810 14.791 22.423 395 H VAL 95 H VAL 95 13.648 12.428 17.229 396 HA VAL 95 HA VAL 95 15.199 9.939 17.603 397 HB VAL 95 HB VAL 95 12.969 9.446 18.576 398 HG11 VAL 95 1HG1 VAL 95 10.970 9.462 17.165 399 HG12 VAL 95 2HG1 VAL 95 11.657 11.090 17.366 400 HG13 VAL 95 3HG1 VAL 95 11.910 10.199 15.845 401 HG21 VAL 95 1HG2 VAL 95 12.457 7.474 17.172 402 HG22 VAL 95 2HG2 VAL 95 13.446 8.155 15.859 403 HG23 VAL 95 3HG2 VAL 95 14.212 7.670 17.390 404 H LYS 96 H LYS 96 16.079 9.242 15.759 405 HA LYS 96 HA LYS 96 15.318 10.543 13.229 406 HB2 LYS 96 1HB LYS 96 17.711 10.160 13.779 407 HB3 LYS 96 2HB LYS 96 17.427 8.427 13.823 408 HG2 LYS 96 1HG LYS 96 16.839 8.447 11.434 409 HG3 LYS 96 2HG LYS 96 17.085 10.196 11.384 410 HD2 LYS 96 1HD LYS 96 19.448 9.900 12.020 411 HD3 LYS 96 2HD LYS 96 19.210 8.148 12.118 412 HE2 LYS 96 1HE LYS 96 18.607 8.105 9.712 413 HE3 LYS 96 2HE LYS 96 18.869 9.846 9.619 414 HZ1 LYS 96 1HZ LYS 96 20.775 8.626 8.868 415 HZ2 LYS 96 2HZ LYS 96 21.162 9.476 10.229 416 HZ3 LYS 96 3HZ LYS 96 20.915 7.847 10.315 417 H LEU 97 H LEU 97 13.923 9.787 11.827 418 HA LEU 97 HA LEU 97 12.914 7.020 12.233 419 HB2 LEU 97 1HB LEU 97 11.722 9.263 10.569 420 HB3 LEU 97 2HB LEU 97 10.952 7.731 10.990 421 HG LEU 97 HG LEU 97 11.610 10.015 12.881 422 HD11 LEU 97 1HD1 LEU 97 9.170 10.134 13.108 423 HD12 LEU 97 2HD1 LEU 97 9.687 10.400 11.426 424 HD13 LEU 97 3HD1 LEU 97 8.995 8.833 11.906 425 HD21 LEU 97 1HD2 LEU 97 10.508 8.616 14.593 426 HD22 LEU 97 2HD2 LEU 97 10.352 7.292 13.415 427 HD23 LEU 97 3HD2 LEU 97 11.964 7.816 13.955 428 H ASP 98 H ASP 98 14.111 5.618 11.107 429 HA ASP 98 HA ASP 98 15.292 6.288 8.546 430 HB2 ASP 98 1HB ASP 98 15.005 3.684 10.086 431 HB3 ASP 98 2HB ASP 98 15.781 3.770 8.510 432 HA PRO 99 HA PRO 99 12.079 5.192 5.843 433 HB2 PRO 99 1HB PRO 99 13.460 4.171 3.688 434 HB3 PRO 99 2HB PRO 99 13.465 5.892 4.094 435 HG2 PRO 99 1HG PRO 99 15.522 3.757 4.804 436 HG3 PRO 99 2HG PRO 99 15.802 5.362 4.121 437 HD2 PRO 99 1HD PRO 99 16.075 4.920 6.785 438 HD3 PRO 99 2HD PRO 99 15.386 6.473 6.166 439 H ASP 100 H ASP 100 10.828 3.425 5.139 440 HA ASP 100 HA ASP 100 9.985 1.288 5.283 441 HB2 ASP 100 1HB ASP 100 12.906 0.602 4.772 442 HB3 ASP 100 2HB ASP 100 11.594 -0.568 4.718 443 H SER 101 H SER 101 10.358 2.450 7.737 444 HA SER 101 HA SER 101 10.746 0.054 9.398 445 HB2 SER 101 1HB SER 101 12.998 1.032 9.327 446 HB3 SER 101 2HB SER 101 12.360 2.589 9.831 447 HG SER 101 HG SER 101 11.871 0.284 11.326 448 H TYR 102 H TYR 102 9.744 0.160 11.414 449 HA TYR 102 HA TYR 102 7.723 2.352 11.549 450 HB2 TYR 102 1HB TYR 102 7.646 -0.518 12.556 451 HB3 TYR 102 2HB TYR 102 6.421 0.681 12.945 452 HD1 TYR 102 HD1 TYR 102 8.090 -1.000 10.060 453 HD2 TYR 102 HD2 TYR 102 4.611 1.041 11.524 454 HE1 TYR 102 HE1 TYR 102 6.889 -1.547 7.971 455 HE2 TYR 102 HE2 TYR 102 3.411 0.494 9.434 456 HH TYR 102 HH TYR 102 4.992 -1.344 6.831 457 H TYR 103 H TYR 103 7.386 3.517 13.353 458 HA TYR 103 HA TYR 103 9.039 2.824 15.739 459 HB2 TYR 103 1HB TYR 103 8.651 5.595 14.536 460 HB3 TYR 103 2HB TYR 103 9.409 5.275 16.090 461 HD1 TYR 103 HD1 TYR 103 9.727 4.772 12.431 462 HD2 TYR 103 HD2 TYR 103 11.668 4.571 16.254 463 HE1 TYR 103 HE1 TYR 103 11.911 4.490 11.308 464 HE2 TYR 103 HE2 TYR 103 13.852 4.289 15.129 465 HH TYR 103 HH TYR 103 14.920 4.146 13.195 466 H THR 104 H THR 104 8.151 3.150 17.714 467 HA THR 104 HA THR 104 5.322 4.123 17.711 468 HB THR 104 HB THR 104 6.534 1.904 19.417 469 HG1 THR 104 HG1 THR 104 5.750 0.627 17.928 470 HG21 THR 104 1HG2 THR 104 4.232 1.612 20.250 471 HG22 THR 104 2HG2 THR 104 4.847 3.237 20.637 472 HG23 THR 104 3HG2 THR 104 3.704 3.015 19.292 473 H LEU 105 H LEU 105 4.923 5.821 18.920 474 HA LEU 105 HA LEU 105 6.928 6.647 20.935 475 HB2 LEU 105 1HB LEU 105 6.145 8.332 19.333 476 HB3 LEU 105 2HB LEU 105 4.473 8.058 19.833 477 HG LEU 105 HG LEU 105 5.032 8.925 22.097 478 HD11 LEU 105 1HD1 LEU 105 7.186 10.051 22.437 479 HD12 LEU 105 2HD1 LEU 105 7.394 8.312 22.123 480 HD13 LEU 105 3HD1 LEU 105 7.728 9.495 20.837 481 HD21 LEU 105 1HD2 LEU 105 5.266 11.282 21.386 482 HD22 LEU 105 2HD2 LEU 105 5.783 10.744 19.770 483 HD23 LEU 105 3HD2 LEU 105 4.129 10.407 20.334 484 H VAL 106 H VAL 106 6.663 5.450 22.740 485 HA VAL 106 HA VAL 106 4.009 4.780 23.740 486 HB VAL 106 HB VAL 106 6.762 4.470 25.008 487 HG11 VAL 106 1HG1 VAL 106 5.678 2.866 26.506 488 HG12 VAL 106 2HG1 VAL 106 5.015 4.507 26.691 489 HG13 VAL 106 3HG1 VAL 106 4.099 3.272 25.795 490 HG21 VAL 106 1HG2 VAL 106 6.528 2.110 24.300 491 HG22 VAL 106 2HG2 VAL 106 4.978 2.501 23.520 492 HG23 VAL 106 3HG2 VAL 106 6.489 3.208 22.901 493 H SER 107 H SER 107 2.795 6.396 24.502 494 HA SER 107 HA SER 107 4.067 8.375 26.328 495 HB2 SER 107 1HB SER 107 2.050 9.704 26.000 496 HB3 SER 107 2HB SER 107 2.755 9.275 24.449 497 HG SER 107 HG SER 107 1.268 7.411 24.597 498 H GLN 108 H GLN 108 2.821 9.048 28.239 499 HA GLN 108 HA GLN 108 0.918 7.099 29.323 500 HB2 GLN 108 1HB GLN 108 3.107 6.045 29.837 501 HB3 GLN 108 2HB GLN 108 3.626 7.514 30.652 502 HG2 GLN 108 1HG GLN 108 1.891 7.242 32.335 503 HG3 GLN 108 2HG GLN 108 1.283 5.792 31.488 504 HE21 GLN 108 1HE2 GLN 108 3.208 4.099 33.920 505 HE22 GLN 108 2HE2 GLN 108 1.623 4.659 33.504 506 HA PRO 109 HA PRO 109 -0.632 10.821 30.989 507 HB2 PRO 109 1HB PRO 109 -1.848 8.902 33.005 508 HB3 PRO 109 2HB PRO 109 -2.634 10.183 32.075 509 HG2 PRO 109 1HG PRO 109 -2.968 7.667 31.278 510 HG3 PRO 109 2HG PRO 109 -2.650 8.909 30.062 511 HD2 PRO 109 1HD PRO 109 -0.718 6.907 31.305 512 HD3 PRO 109 2HD PRO 109 -0.896 7.390 29.570 513 H GLY 110 H GLY 110 1.134 11.827 31.904 514 HA2 GLY 110 1HA GLY 110 2.274 12.764 33.707 515 HA3 GLY 110 2HA GLY 110 1.278 11.811 34.791 516 H GLY 111 H GLY 111 2.995 10.185 32.231 517 HA2 GLY 111 1HA GLY 111 4.903 9.084 34.267 518 HA3 GLY 111 2HA GLY 111 4.176 8.113 32.999 519 H LYS 112 H LYS 112 6.527 7.640 32.618 520 HA LYS 112 HA LYS 112 7.899 9.804 31.105 521 HB2 LYS 112 1HB LYS 112 9.181 8.689 32.914 522 HB3 LYS 112 2HB LYS 112 8.954 7.135 32.124 523 HG2 LYS 112 1HG LYS 112 10.249 7.911 30.185 524 HG3 LYS 112 2HG LYS 112 10.455 9.492 30.949 525 HD2 LYS 112 1HD LYS 112 11.646 8.435 32.837 526 HD3 LYS 112 2HD LYS 112 11.427 6.846 32.089 527 HE2 LYS 112 1HE LYS 112 12.735 7.589 30.126 528 HE3 LYS 112 2HE LYS 112 12.953 9.175 30.867 529 HZ1 LYS 112 1HZ LYS 112 14.844 7.767 31.224 530 HZ2 LYS 112 2HZ LYS 112 14.125 8.108 32.669 531 HZ3 LYS 112 3HZ LYS 112 13.922 6.624 31.974 532 HA PRO 113 HA PRO 113 6.633 7.722 27.460 533 HB2 PRO 113 1HB PRO 113 7.747 9.444 25.645 534 HB3 PRO 113 2HB PRO 113 6.315 9.877 26.587 535 HG2 PRO 113 1HG PRO 113 9.238 10.567 27.122 536 HG3 PRO 113 2HG PRO 113 7.841 11.646 27.133 537 HD2 PRO 113 1HD PRO 113 8.834 10.585 29.440 538 HD3 PRO 113 2HD PRO 113 7.062 10.872 29.218 539 H GLN 114 H GLN 114 7.649 6.614 25.637 540 HA GLN 114 HA GLN 114 10.574 6.198 25.887 541 HB2 GLN 114 1HB GLN 114 9.620 4.512 27.377 542 HB3 GLN 114 2HB GLN 114 8.488 3.997 26.134 543 HG2 GLN 114 1HG GLN 114 10.233 2.394 26.233 544 HG3 GLN 114 2HG GLN 114 10.457 3.324 24.724 545 HE21 GLN 114 1HE2 GLN 114 13.759 4.023 25.463 546 HE22 GLN 114 2HE2 GLN 114 12.526 3.664 24.301 547 H LEU 115 H LEU 115 11.502 6.201 23.975 548 HA LEU 115 HA LEU 115 9.967 5.890 21.528 549 HB2 LEU 115 1HB LEU 115 12.961 5.996 22.038 550 HB3 LEU 115 2HB LEU 115 12.215 5.995 20.436 551 HG LEU 115 HG LEU 115 11.794 8.153 22.537 552 HD11 LEU 115 1HD1 LEU 115 13.263 9.508 21.111 553 HD12 LEU 115 2HD1 LEU 115 14.110 8.084 21.761 554 HD13 LEU 115 3HD1 LEU 115 13.555 8.096 20.068 555 HD21 LEU 115 1HD2 LEU 115 10.800 9.380 20.636 556 HD22 LEU 115 2HD2 LEU 115 11.059 7.968 19.586 557 HD23 LEU 115 3HD2 LEU 115 9.920 7.867 20.950 558 H VAL 116 H VAL 116 9.626 4.143 20.320 559 HA VAL 116 HA VAL 116 11.253 1.708 20.913 560 HB VAL 116 HB VAL 116 8.270 1.815 20.292 561 HG11 VAL 116 1HG1 VAL 116 8.318 -0.611 20.620 562 HG12 VAL 116 2HG1 VAL 116 9.331 -0.104 19.248 563 HG13 VAL 116 3HG1 VAL 116 10.088 -0.550 20.796 564 HG21 VAL 116 1HG2 VAL 116 8.028 0.890 22.575 565 HG22 VAL 116 2HG2 VAL 116 9.790 1.004 22.805 566 HG23 VAL 116 3HG2 VAL 116 8.821 2.482 22.606 567 H ALA 117 H ALA 117 12.327 0.990 19.215 568 HA ALA 117 HA ALA 117 11.402 1.774 16.508 569 HB1 ALA 117 1HB ALA 117 13.620 0.974 15.761 570 HB2 ALA 117 2HB ALA 117 13.759 2.205 17.039 571 HB3 ALA 117 3HB ALA 117 13.998 0.486 17.428 572 H GLU 118 H GLU 118 10.690 0.391 15.005 573 HA GLU 118 HA GLU 118 10.634 -2.501 15.744 574 HB2 GLU 118 1HB GLU 118 8.338 -0.894 14.550 575 HB3 GLU 118 2HB GLU 118 8.333 -2.631 14.823 576 HG2 GLU 118 1HG GLU 118 8.578 -2.234 17.253 577 HG3 GLU 118 2HG GLU 118 8.530 -0.497 16.959 578 HA PRO 119 HA PRO 119 12.210 -3.431 11.807 579 HB2 PRO 119 1HB PRO 119 9.973 -5.493 11.715 580 HB3 PRO 119 2HB PRO 119 11.693 -5.704 11.360 581 HG2 PRO 119 1HG PRO 119 10.789 -6.544 13.713 582 HG3 PRO 119 2HG PRO 119 12.316 -5.662 13.661 583 HD2 PRO 119 1HD PRO 119 9.545 -4.658 14.424 584 HD3 PRO 119 2HD PRO 119 11.139 -4.315 15.210 Start of MODEL 6 1 H GLN 38 1H GLN 38 9.000 -5.020 3.563 2 HA GLN 38 HA GLN 38 9.274 -2.709 3.981 3 HB2 GLN 38 1HB GLN 38 10.565 -3.809 2.168 4 HB3 GLN 38 2HB GLN 38 9.273 -3.463 1.028 5 HG2 GLN 38 1HG GLN 38 9.626 -1.067 1.303 6 HG3 GLN 38 2HG GLN 38 10.904 -1.389 2.509 7 HE21 GLN 38 1HE2 GLN 38 13.001 -0.863 -0.302 8 HE22 GLN 38 2HE2 GLN 38 12.253 -0.094 1.057 9 H ALA 39 H ALA 39 8.263 -0.864 4.250 10 HA ALA 39 HA ALA 39 5.612 -0.506 3.078 11 HB1 ALA 39 1HB ALA 39 5.552 1.551 4.450 12 HB2 ALA 39 2HB ALA 39 6.027 0.132 5.412 13 HB3 ALA 39 3HB ALA 39 7.259 1.301 4.885 14 HA PRO 40 HA PRO 40 6.512 1.896 -0.405 15 HB2 PRO 40 1HB PRO 40 4.376 3.797 0.620 16 HB3 PRO 40 2HB PRO 40 4.535 3.063 -0.979 17 HG2 PRO 40 1HG PRO 40 2.740 2.043 0.696 18 HG3 PRO 40 2HG PRO 40 3.750 0.939 -0.245 19 HD2 PRO 40 1HD PRO 40 4.054 1.814 2.659 20 HD3 PRO 40 2HD PRO 40 4.222 0.161 1.944 21 H LYS 41 H LYS 41 8.004 3.439 -0.831 22 HA LYS 41 HA LYS 41 8.954 5.148 1.345 23 HB2 LYS 41 1HB LYS 41 9.831 4.826 -1.550 24 HB3 LYS 41 2HB LYS 41 10.606 5.921 -0.413 25 HG2 LYS 41 1HG LYS 41 11.147 3.978 1.048 26 HG3 LYS 41 2HG LYS 41 10.440 2.904 -0.167 27 HD2 LYS 41 1HD LYS 41 12.075 3.682 -1.834 28 HD3 LYS 41 2HD LYS 41 12.761 4.809 -0.655 29 HE2 LYS 41 1HE LYS 41 13.384 2.905 0.798 30 HE3 LYS 41 2HE LYS 41 12.698 1.779 -0.375 31 HZ1 LYS 41 1HZ LYS 41 15.063 1.984 -0.624 32 HZ2 LYS 41 2HZ LYS 41 14.311 2.559 -1.975 33 HZ3 LYS 41 3HZ LYS 41 14.952 3.608 -0.878 34 H GLY 42 H GLY 42 9.416 7.469 0.962 35 HA2 GLY 42 1HA GLY 42 8.684 9.521 -0.223 36 HA3 GLY 42 2HA GLY 42 7.133 8.750 -0.497 37 H SER 43 H SER 43 7.359 7.561 2.329 38 HA SER 43 HA SER 43 7.286 9.929 4.061 39 HB2 SER 43 1HB SER 43 5.022 9.977 3.193 40 HB3 SER 43 2HB SER 43 4.808 8.265 3.518 41 HG SER 43 HG SER 43 5.198 8.769 5.728 42 H ALA 44 H ALA 44 7.745 9.474 6.143 43 HA ALA 44 HA ALA 44 8.411 6.686 6.782 44 HB1 ALA 44 1HB ALA 44 9.308 7.639 8.881 45 HB2 ALA 44 2HB ALA 44 9.953 8.476 7.450 46 HB3 ALA 44 3HB ALA 44 8.671 9.233 8.420 47 H PHE 45 H PHE 45 7.659 5.570 8.642 48 HA PHE 45 HA PHE 45 4.813 6.288 9.216 49 HB2 PHE 45 1HB PHE 45 6.101 3.540 8.973 50 HB3 PHE 45 2HB PHE 45 4.439 3.827 9.458 51 HD1 PHE 45 HD1 PHE 45 6.838 4.115 6.663 52 HD2 PHE 45 HD2 PHE 45 2.743 4.306 7.863 53 HE1 PHE 45 HE1 PHE 45 6.145 4.098 4.292 54 HE2 PHE 45 HE2 PHE 45 2.045 4.287 5.492 55 HZ PHE 45 HZ PHE 45 3.747 4.185 3.706 56 H VAL 46 H VAL 46 4.050 6.198 11.263 57 HA VAL 46 HA VAL 46 5.889 5.243 13.393 58 HB VAL 46 HB VAL 46 6.295 7.684 13.122 59 HG11 VAL 46 1HG1 VAL 46 4.520 9.289 13.641 60 HG12 VAL 46 2HG1 VAL 46 4.143 8.320 12.196 61 HG13 VAL 46 3HG1 VAL 46 3.348 7.955 13.746 62 HG21 VAL 46 1HG2 VAL 46 5.868 8.306 15.478 63 HG22 VAL 46 2HG2 VAL 46 4.741 6.939 15.635 64 HG23 VAL 46 3HG2 VAL 46 6.473 6.637 15.353 65 H ARG 47 H ARG 47 4.899 4.381 15.147 66 HA ARG 47 HA ARG 47 1.913 4.375 15.086 67 HB2 ARG 47 1HB ARG 47 2.904 2.155 14.761 68 HB3 ARG 47 2HB ARG 47 3.850 2.333 16.232 69 HG2 ARG 47 1HG ARG 47 1.904 2.216 17.608 70 HG3 ARG 47 2HG ARG 47 0.825 2.356 16.198 71 HD2 ARG 47 1HD ARG 47 2.763 0.101 16.642 72 HD3 ARG 47 2HD ARG 47 1.044 0.068 17.099 73 HE ARG 47 HE ARG 47 1.065 0.784 14.432 74 HH11 ARG 47 1HH1 ARG 47 2.266 -1.921 16.326 75 HH12 ARG 47 2HH1 ARG 47 2.091 -3.073 15.023 76 HH21 ARG 47 1HH2 ARG 47 0.840 -0.722 12.748 77 HH22 ARG 47 2HH2 ARG 47 1.283 -2.397 12.996 78 H ALA 48 H ALA 48 1.071 5.724 16.511 79 HA ALA 48 HA ALA 48 2.553 6.370 18.971 80 HB1 ALA 48 1HB ALA 48 0.765 8.042 19.323 81 HB2 ALA 48 2HB ALA 48 1.506 8.198 17.712 82 HB3 ALA 48 3HB ALA 48 -0.085 7.422 17.889 83 H TYR 49 H TYR 49 2.258 5.429 20.847 84 HA TYR 49 HA TYR 49 -0.231 3.818 21.215 85 HB2 TYR 49 1HB TYR 49 1.786 2.435 21.211 86 HB3 TYR 49 2HB TYR 49 2.543 3.467 22.417 87 HD1 TYR 49 HD1 TYR 49 -0.102 0.963 21.817 88 HD2 TYR 49 HD2 TYR 49 2.004 3.290 24.744 89 HE1 TYR 49 HE1 TYR 49 -1.047 -0.444 23.613 90 HE2 TYR 49 HE2 TYR 49 1.057 1.880 26.543 91 HH TYR 49 HH TYR 49 -1.167 -0.796 25.805 92 H ASN 50 H ASN 50 -1.532 4.145 22.902 93 HA ASN 50 HA ASN 50 -0.866 6.496 24.602 94 HB2 ASN 50 1HB ASN 50 -2.958 6.561 23.244 95 HB3 ASN 50 2HB ASN 50 -3.545 5.153 24.118 96 HD21 ASN 50 1HD2 ASN 50 -4.898 8.277 25.634 97 HD22 ASN 50 2HD2 ASN 50 -4.879 7.605 24.037 98 H ALA 51 H ALA 51 0.157 5.939 26.381 99 HA ALA 51 HA ALA 51 -0.545 3.390 27.697 100 HB1 ALA 51 1HB ALA 51 1.453 3.829 29.091 101 HB2 ALA 51 2HB ALA 51 1.834 3.893 27.351 102 HB3 ALA 51 3HB ALA 51 1.659 5.400 28.281 103 H GLY 52 H GLY 52 -1.866 6.320 27.732 104 HA2 GLY 52 1HA GLY 52 -2.069 6.605 30.684 105 HA3 GLY 52 2HA GLY 52 -2.580 7.787 29.495 106 H ASN 53 H ASN 53 -4.491 7.671 31.063 107 HA ASN 53 HA ASN 53 -6.333 5.450 30.323 108 HB2 ASN 53 1HB ASN 53 -6.406 7.457 32.597 109 HB3 ASN 53 2HB ASN 53 -7.715 6.337 32.238 110 HD21 ASN 53 1HD2 ASN 53 -5.087 5.093 34.755 111 HD22 ASN 53 2HD2 ASN 53 -5.714 6.688 34.507 112 H SER 54 H SER 54 -5.530 8.389 29.196 113 HA SER 54 HA SER 54 -8.173 8.641 27.910 114 HB2 SER 54 1HB SER 54 -8.417 10.990 28.393 115 HB3 SER 54 2HB SER 54 -8.263 10.121 29.914 116 HG SER 54 HG SER 54 -6.411 11.720 28.567 117 H GLU 55 H GLU 55 -8.111 10.335 26.154 118 HA GLU 55 HA GLU 55 -6.102 9.672 24.307 119 HB2 GLU 55 1HB GLU 55 -8.311 10.683 23.733 120 HB3 GLU 55 2HB GLU 55 -7.766 12.221 24.390 121 HG2 GLU 55 1HG GLU 55 -5.977 12.310 22.696 122 HG3 GLU 55 2HG GLU 55 -6.535 10.775 22.034 123 H LEU 56 H LEU 56 -4.040 10.139 24.156 124 HA LEU 56 HA LEU 56 -3.044 12.569 25.573 125 HB2 LEU 56 1HB LEU 56 -1.550 10.083 24.666 126 HB3 LEU 56 2HB LEU 56 -0.836 11.460 25.513 127 HG LEU 56 HG LEU 56 -2.928 9.568 26.642 128 HD11 LEU 56 1HD1 LEU 56 -1.086 8.816 28.081 129 HD12 LEU 56 2HD1 LEU 56 -0.735 8.532 26.360 130 HD13 LEU 56 3HD1 LEU 56 0.032 9.893 27.212 131 HD21 LEU 56 1HD2 LEU 56 -2.498 10.778 28.754 132 HD22 LEU 56 2HD2 LEU 56 -1.398 11.886 27.895 133 HD23 LEU 56 3HD2 LEU 56 -3.135 11.875 27.506 134 H ASP 57 H ASP 57 -1.904 14.118 24.541 135 HA ASP 57 HA ASP 57 -1.656 13.818 21.584 136 HB2 ASP 57 1HB ASP 57 -1.748 16.300 23.344 137 HB3 ASP 57 2HB ASP 57 -1.432 16.332 21.613 138 H VAL 58 H VAL 58 0.243 14.212 20.525 139 HA VAL 58 HA VAL 58 2.613 14.916 22.170 140 HB VAL 58 HB VAL 58 2.595 12.459 22.078 141 HG11 VAL 58 1HG1 VAL 58 2.717 11.266 19.946 142 HG12 VAL 58 2HG1 VAL 58 1.194 12.167 20.117 143 HG13 VAL 58 3HG1 VAL 58 2.487 12.802 19.074 144 HG21 VAL 58 1HG2 VAL 58 4.794 12.124 21.000 145 HG22 VAL 58 2HG2 VAL 58 4.624 13.687 20.167 146 HG23 VAL 58 3HG2 VAL 58 4.764 13.632 21.939 147 H SER 59 H SER 59 4.058 16.194 21.169 148 HA SER 59 HA SER 59 3.447 16.925 18.347 149 HB2 SER 59 1HB SER 59 3.420 18.773 19.940 150 HB3 SER 59 2HB SER 59 5.031 18.356 20.506 151 HG SER 59 HG SER 59 5.561 18.577 18.161 152 H VAL 60 H VAL 60 4.550 15.723 16.957 153 HA VAL 60 HA VAL 60 7.346 14.966 17.649 154 HB VAL 60 HB VAL 60 5.513 13.877 15.469 155 HG11 VAL 60 1HG1 VAL 60 7.162 12.080 15.291 156 HG12 VAL 60 2HG1 VAL 60 7.864 13.667 14.903 157 HG13 VAL 60 3HG1 VAL 60 8.196 12.911 16.479 158 HG21 VAL 60 1HG2 VAL 60 5.324 11.902 16.947 159 HG22 VAL 60 2HG2 VAL 60 6.295 12.735 18.183 160 HG23 VAL 60 3HG2 VAL 60 4.691 13.363 17.743 161 H GLY 61 H GLY 61 8.544 16.736 17.081 162 HA2 GLY 61 1HA GLY 61 9.684 18.171 15.650 163 HA3 GLY 61 2HA GLY 61 9.107 17.211 14.301 164 H SER 62 H SER 62 7.639 18.089 12.966 165 HA SER 62 HA SER 62 6.397 20.660 13.813 166 HB2 SER 62 1HB SER 62 6.150 21.129 11.441 167 HB3 SER 62 2HB SER 62 7.820 20.714 11.796 168 HG SER 62 HG SER 62 5.968 18.773 11.012 169 H THR 63 H THR 63 5.667 17.421 13.545 170 HA THR 63 HA THR 63 2.808 18.015 12.906 171 HB THR 63 HB THR 63 4.384 15.479 12.282 172 HG1 THR 63 HG1 THR 63 3.373 16.419 10.110 173 HG21 THR 63 1HG2 THR 63 2.311 14.738 11.177 174 HG22 THR 63 2HG2 THR 63 2.045 15.007 12.916 175 HG23 THR 63 3HG2 THR 63 1.483 16.211 11.731 176 H SER 64 H SER 64 1.534 17.832 14.585 177 HA SER 64 HA SER 64 2.327 16.127 16.859 178 HB2 SER 64 1HB SER 64 0.460 17.139 18.016 179 HB3 SER 64 2HB SER 64 1.402 18.398 17.235 180 HG SER 64 HG SER 64 -0.955 17.202 16.267 181 H LEU 65 H LEU 65 0.953 14.531 17.772 182 HA LEU 65 HA LEU 65 -0.894 13.300 15.770 183 HB2 LEU 65 1HB LEU 65 0.771 11.837 17.846 184 HB3 LEU 65 2HB LEU 65 -0.233 11.114 16.585 185 HG LEU 65 HG LEU 65 2.302 12.724 16.113 186 HD11 LEU 65 1HD1 LEU 65 3.254 10.557 15.474 187 HD12 LEU 65 2HD1 LEU 65 2.726 10.566 17.173 188 HD13 LEU 65 3HD1 LEU 65 1.737 9.752 15.938 189 HD21 LEU 65 1HD2 LEU 65 2.028 11.950 13.784 190 HD22 LEU 65 2HD2 LEU 65 0.493 11.164 14.223 191 HD23 LEU 65 3HD2 LEU 65 0.640 12.936 14.294 192 H ASN 66 H ASN 66 -2.752 12.265 16.524 193 HA ASN 66 HA ASN 66 -3.437 12.357 19.357 194 HB2 ASN 66 1HB ASN 66 -5.340 13.892 19.115 195 HB3 ASN 66 2HB ASN 66 -3.816 14.703 18.794 196 HD21 ASN 66 1HD2 ASN 66 -5.378 16.026 15.977 197 HD22 ASN 66 2HD2 ASN 66 -4.722 16.310 17.555 198 H ASP 67 H ASP 67 -6.049 12.071 19.420 199 HA ASP 67 HA ASP 67 -7.785 10.620 19.008 200 HB2 ASP 67 1HB ASP 67 -7.522 11.721 16.676 201 HB3 ASP 67 2HB ASP 67 -6.704 10.241 16.198 202 H VAL 68 H VAL 68 -5.564 9.557 20.259 203 HA VAL 68 HA VAL 68 -5.619 6.769 19.181 204 HB VAL 68 HB VAL 68 -3.519 8.070 20.967 205 HG11 VAL 68 1HG1 VAL 68 -2.260 5.998 20.638 206 HG12 VAL 68 2HG1 VAL 68 -3.808 5.713 21.468 207 HG13 VAL 68 3HG1 VAL 68 -3.634 5.307 19.743 208 HG21 VAL 68 1HG2 VAL 68 -2.053 7.838 18.986 209 HG22 VAL 68 2HG2 VAL 68 -3.427 7.209 18.046 210 HG23 VAL 68 3HG2 VAL 68 -3.447 8.887 18.636 211 H ALA 69 H ALA 69 -6.726 5.347 20.325 212 HA ALA 69 HA ALA 69 -8.043 6.186 22.751 213 HB1 ALA 69 1HB ALA 69 -9.013 3.910 22.732 214 HB2 ALA 69 2HB ALA 69 -9.136 4.690 21.140 215 HB3 ALA 69 3HB ALA 69 -7.893 3.452 21.427 216 HA PRO 70 HA PRO 70 -5.278 5.042 25.901 217 HB2 PRO 70 1HB PRO 70 -7.765 3.846 27.183 218 HB3 PRO 70 2HB PRO 70 -6.553 4.912 27.900 219 HG2 PRO 70 1HG PRO 70 -8.871 5.977 27.159 220 HG3 PRO 70 2HG PRO 70 -7.382 6.844 26.777 221 HD2 PRO 70 1HD PRO 70 -9.099 5.092 24.973 222 HD3 PRO 70 2HD PRO 70 -8.307 6.676 24.605 223 H LEU 71 H LEU 71 -3.969 3.311 26.085 224 HA LEU 71 HA LEU 71 -3.201 1.141 26.053 225 HB2 LEU 71 1HB LEU 71 -6.118 0.337 26.308 226 HB3 LEU 71 2HB LEU 71 -4.711 -0.678 26.641 227 HG LEU 71 HG LEU 71 -5.560 1.773 28.223 228 HD11 LEU 71 1HD1 LEU 71 -6.047 0.131 29.981 229 HD12 LEU 71 2HD1 LEU 71 -7.031 -0.152 28.527 230 HD13 LEU 71 3HD1 LEU 71 -5.625 -1.188 28.866 231 HD21 LEU 71 1HD2 LEU 71 -3.739 1.096 29.753 232 HD22 LEU 71 2HD2 LEU 71 -3.285 -0.210 28.634 233 HD23 LEU 71 3HD2 LEU 71 -3.105 1.489 28.137 234 H GLY 72 H GLY 72 -4.440 2.614 23.631 235 HA2 GLY 72 1HA GLY 72 -4.218 0.217 21.843 236 HA3 GLY 72 2HA GLY 72 -5.343 1.520 21.504 237 H SER 73 H SER 73 -4.091 1.518 19.437 238 HA SER 73 HA SER 73 -2.046 3.614 19.551 239 HB2 SER 73 1HB SER 73 -0.307 2.372 18.444 240 HB3 SER 73 2HB SER 73 -0.758 1.504 19.901 241 HG SER 73 HG SER 73 -1.678 0.994 17.289 242 H SER 74 H SER 74 -1.367 4.311 17.367 243 HA SER 74 HA SER 74 -3.083 3.400 15.151 244 HB2 SER 74 1HB SER 74 -4.430 5.155 16.212 245 HB3 SER 74 2HB SER 74 -3.074 6.270 16.139 246 HG SER 74 HG SER 74 -3.166 6.258 13.965 247 H ASP 75 H ASP 75 -2.233 3.756 13.142 248 HA ASP 75 HA ASP 75 0.621 4.539 13.161 249 HB2 ASP 75 1HB ASP 75 -1.110 3.160 11.071 250 HB3 ASP 75 2HB ASP 75 0.578 3.586 10.816 251 H PHE 76 H PHE 76 1.486 6.202 12.048 252 HA PHE 76 HA PHE 76 -0.409 7.928 10.520 253 HB2 PHE 76 1HB PHE 76 1.680 8.864 12.529 254 HB3 PHE 76 2HB PHE 76 0.728 9.918 11.496 255 HD1 PHE 76 HD1 PHE 76 0.716 7.784 14.457 256 HD2 PHE 76 HD2 PHE 76 -1.666 10.232 11.892 257 HE1 PHE 76 HE1 PHE 76 -1.063 7.850 16.173 258 HE2 PHE 76 HE2 PHE 76 -3.444 10.302 13.606 259 HZ PHE 76 HZ PHE 76 -3.143 9.109 15.747 260 H LYS 77 H LYS 77 0.663 9.471 9.076 261 HA LYS 77 HA LYS 77 3.433 8.932 8.327 262 HB2 LYS 77 1HB LYS 77 2.960 8.131 6.064 263 HB3 LYS 77 2HB LYS 77 2.291 7.021 7.253 264 HG2 LYS 77 1HG LYS 77 0.046 8.083 6.911 265 HG3 LYS 77 2HG LYS 77 0.758 9.063 5.620 266 HD2 LYS 77 1HD LYS 77 1.416 6.991 4.421 267 HD3 LYS 77 2HD LYS 77 0.673 6.023 5.705 268 HE2 LYS 77 1HE LYS 77 -1.515 7.114 5.222 269 HE3 LYS 77 2HE LYS 77 -0.761 8.004 3.898 270 HZ1 LYS 77 1HZ LYS 77 -1.871 6.040 3.120 271 HZ2 LYS 77 2HZ LYS 77 -0.249 5.904 2.855 272 HZ3 LYS 77 3HZ LYS 77 -0.955 5.072 4.092 273 H PHE 78 H PHE 78 3.001 9.797 5.567 274 HA PHE 78 HA PHE 78 3.074 11.793 4.419 275 HB2 PHE 78 1HB PHE 78 1.318 12.914 6.638 276 HB3 PHE 78 2HB PHE 78 1.572 13.616 5.047 277 HD1 PHE 78 HD1 PHE 78 -0.621 11.738 6.974 278 HD2 PHE 78 HD2 PHE 78 1.037 11.902 3.041 279 HE1 PHE 78 HE1 PHE 78 -2.556 10.467 6.107 280 HE2 PHE 78 HE2 PHE 78 -0.896 10.633 2.170 281 HZ PHE 78 HZ PHE 78 -2.693 9.913 3.705 282 H LEU 79 H LEU 79 5.064 11.092 6.380 283 HA LEU 79 HA LEU 79 6.026 13.825 7.066 284 HB2 LEU 79 1HB LEU 79 5.069 12.845 9.106 285 HB3 LEU 79 2HB LEU 79 6.066 11.402 8.900 286 HG LEU 79 HG LEU 79 8.104 12.863 9.181 287 HD11 LEU 79 1HD1 LEU 79 7.772 15.092 10.155 288 HD12 LEU 79 2HD1 LEU 79 7.082 14.979 8.518 289 HD13 LEU 79 3HD1 LEU 79 6.013 14.923 9.940 290 HD21 LEU 79 1HD2 LEU 79 7.813 13.058 11.629 291 HD22 LEU 79 2HD2 LEU 79 6.055 12.861 11.434 292 HD23 LEU 79 3HD2 LEU 79 7.150 11.520 11.026 293 HA PRO 80 HA PRO 80 9.413 12.288 4.675 294 HB2 PRO 80 1HB PRO 80 10.651 14.696 6.078 295 HB3 PRO 80 2HB PRO 80 10.799 14.205 4.387 296 HG2 PRO 80 1HG PRO 80 9.113 16.170 4.970 297 HG3 PRO 80 2HG PRO 80 8.589 14.918 3.840 298 HD2 PRO 80 1HD PRO 80 7.916 15.247 6.786 299 HD3 PRO 80 2HD PRO 80 6.842 14.744 5.419 300 HA PRO 81 HA PRO 81 11.312 9.868 7.839 301 HB2 PRO 81 1HB PRO 81 13.507 9.690 5.740 302 HB3 PRO 81 2HB PRO 81 12.754 8.389 6.670 303 HG2 PRO 81 1HG PRO 81 11.995 8.732 4.143 304 HG3 PRO 81 2HG PRO 81 10.761 8.418 5.367 305 HD2 PRO 81 1HD PRO 81 11.583 11.065 4.105 306 HD3 PRO 81 2HD PRO 81 9.924 10.445 4.482 307 H GLY 82 H GLY 82 12.991 10.071 9.354 308 HA2 GLY 82 1HA GLY 82 15.352 11.356 9.436 309 HA3 GLY 82 2HA GLY 82 14.279 12.738 9.356 310 H SER 83 H SER 83 15.481 13.044 11.499 311 HA SER 83 HA SER 83 14.158 11.516 13.690 312 HB2 SER 83 1HB SER 83 16.580 11.506 13.797 313 HB3 SER 83 2HB SER 83 16.644 13.254 13.639 314 HG SER 83 HG SER 83 15.090 12.958 15.594 315 H TYR 84 H TYR 84 12.595 12.400 14.827 316 HA TYR 84 HA TYR 84 12.440 15.382 14.926 317 HB2 TYR 84 1HB TYR 84 10.094 13.458 14.633 318 HB3 TYR 84 2HB TYR 84 9.976 15.204 14.813 319 HD1 TYR 84 HD1 TYR 84 10.735 12.445 12.546 320 HD2 TYR 84 HD2 TYR 84 10.655 16.711 12.999 321 HE1 TYR 84 HE1 TYR 84 10.876 12.708 10.092 322 HE2 TYR 84 HE2 TYR 84 10.797 16.974 10.545 323 HH TYR 84 HH TYR 84 10.746 14.165 8.387 324 H THR 85 H THR 85 11.886 16.311 16.819 325 HA THR 85 HA THR 85 12.169 14.617 19.184 326 HB THR 85 HB THR 85 11.681 17.617 18.944 327 HG1 THR 85 HG1 THR 85 13.954 17.661 19.419 328 HG21 THR 85 1HG2 THR 85 12.452 17.688 21.282 329 HG22 THR 85 2HG2 THR 85 10.979 16.700 21.129 330 HG23 THR 85 3HG2 THR 85 12.566 15.912 21.303 331 H ALA 86 H ALA 86 10.573 13.581 20.111 332 HA ALA 86 HA ALA 86 7.803 14.497 19.648 333 HB1 ALA 86 1HB ALA 86 7.166 12.332 20.658 334 HB2 ALA 86 2HB ALA 86 8.298 12.119 19.303 335 HB3 ALA 86 3HB ALA 86 8.881 11.987 20.978 336 H GLN 87 H GLN 87 7.093 16.027 20.946 337 HA GLN 87 HA GLN 87 8.041 16.183 23.724 338 HB2 GLN 87 1HB GLN 87 7.742 18.243 22.370 339 HB3 GLN 87 2HB GLN 87 6.028 17.895 22.210 340 HG2 GLN 87 1HG GLN 87 6.271 19.542 23.895 341 HG3 GLN 87 2HG GLN 87 5.846 18.012 24.714 342 HE21 GLN 87 1HE2 GLN 87 8.443 18.553 26.954 343 HE22 GLN 87 2HE2 GLN 87 6.757 18.273 26.681 344 H VAL 88 H VAL 88 7.195 14.960 25.235 345 HA VAL 88 HA VAL 88 4.241 14.511 25.163 346 HB VAL 88 HB VAL 88 6.394 12.622 26.205 347 HG11 VAL 88 1HG1 VAL 88 4.556 11.049 26.565 348 HG12 VAL 88 2HG1 VAL 88 4.379 12.519 27.553 349 HG13 VAL 88 3HG1 VAL 88 3.389 12.305 26.088 350 HG21 VAL 88 1HG2 VAL 88 5.657 11.168 24.344 351 HG22 VAL 88 2HG2 VAL 88 4.530 12.434 23.802 352 HG23 VAL 88 3HG2 VAL 88 6.286 12.718 23.740 353 H GLY 89 H GLY 89 3.453 15.920 26.604 354 HA2 GLY 89 1HA GLY 89 3.047 16.927 28.656 355 HA3 GLY 89 2HA GLY 89 3.947 15.623 29.409 356 H GLN 90 H GLN 90 5.653 16.277 30.542 357 HA GLN 90 HA GLN 90 6.985 18.825 29.787 358 HB2 GLN 90 1HB GLN 90 7.217 17.128 32.307 359 HB3 GLN 90 2HB GLN 90 8.057 18.648 32.031 360 HG2 GLN 90 1HG GLN 90 5.056 18.294 32.159 361 HG3 GLN 90 2HG GLN 90 6.103 18.947 33.449 362 HE21 GLN 90 1HE2 GLN 90 4.481 21.465 30.901 363 HE22 GLN 90 2HE2 GLN 90 3.884 19.900 31.347 364 H GLN 91 H GLN 91 7.275 15.654 29.038 365 HA GLN 91 HA GLN 91 10.258 15.731 29.061 366 HB2 GLN 91 1HB GLN 91 8.389 13.341 28.790 367 HB3 GLN 91 2HB GLN 91 10.145 13.268 28.790 368 HG2 GLN 91 1HG GLN 91 8.467 14.281 31.095 369 HG3 GLN 91 2HG GLN 91 9.143 12.631 30.946 370 HE21 GLN 91 1HE2 GLN 91 11.292 15.410 32.738 371 HE22 GLN 91 2HE2 GLN 91 9.570 15.388 32.563 372 H SER 92 H SER 92 11.293 14.551 27.211 373 HA SER 92 HA SER 92 9.731 14.599 24.708 374 HB2 SER 92 1HB SER 92 11.271 16.058 23.545 375 HB3 SER 92 2HB SER 92 10.628 16.899 24.946 376 HG SER 92 HG SER 92 12.744 17.229 24.993 377 H LEU 93 H LEU 93 10.741 13.506 22.961 378 HA LEU 93 HA LEU 93 13.248 12.069 23.508 379 HB2 LEU 93 1HB LEU 93 11.567 10.643 24.595 380 HB3 LEU 93 2HB LEU 93 10.610 10.610 23.112 381 HG LEU 93 HG LEU 93 12.526 9.436 21.979 382 HD11 LEU 93 1HD1 LEU 93 14.263 8.451 23.405 383 HD12 LEU 93 2HD1 LEU 93 14.311 10.229 23.444 384 HD13 LEU 93 3HD1 LEU 93 13.609 9.328 24.809 385 HD21 LEU 93 1HD2 LEU 93 12.070 7.273 23.085 386 HD22 LEU 93 2HD2 LEU 93 11.385 8.135 24.485 387 HD23 LEU 93 3HD2 LEU 93 10.577 8.225 22.901 388 HA PRO 94 HA PRO 94 13.356 12.996 19.144 389 HB2 PRO 94 1HB PRO 94 15.915 11.413 19.527 390 HB3 PRO 94 2HB PRO 94 15.670 12.949 18.683 391 HG2 PRO 94 1HG PRO 94 16.784 13.002 21.100 392 HG3 PRO 94 2HG PRO 94 15.552 14.204 20.703 393 HD2 PRO 94 1HD PRO 94 15.263 11.616 22.291 394 HD3 PRO 94 2HD PRO 94 14.612 13.262 22.670 395 H VAL 95 H VAL 95 12.492 11.772 17.567 396 HA VAL 95 HA VAL 95 12.756 8.800 17.789 397 HB VAL 95 HB VAL 95 10.345 10.406 16.836 398 HG11 VAL 95 1HG1 VAL 95 9.234 8.236 16.603 399 HG12 VAL 95 2HG1 VAL 95 10.635 8.388 15.516 400 HG13 VAL 95 3HG1 VAL 95 10.762 7.413 16.998 401 HG21 VAL 95 1HG2 VAL 95 9.231 9.389 18.799 402 HG22 VAL 95 2HG2 VAL 95 10.762 8.610 19.260 403 HG23 VAL 95 3HG2 VAL 95 10.624 10.382 19.289 404 H LYS 96 H LYS 96 13.959 8.041 16.191 405 HA LYS 96 HA LYS 96 14.010 9.390 13.575 406 HB2 LYS 96 1HB LYS 96 16.091 8.426 14.525 407 HB3 LYS 96 2HB LYS 96 15.356 6.829 14.527 408 HG2 LYS 96 1HG LYS 96 15.226 6.835 12.091 409 HG3 LYS 96 2HG LYS 96 15.856 8.489 12.041 410 HD2 LYS 96 1HD LYS 96 17.945 7.692 13.160 411 HD3 LYS 96 2HD LYS 96 17.315 6.039 13.095 412 HE2 LYS 96 1HE LYS 96 17.658 7.776 10.629 413 HE3 LYS 96 2HE LYS 96 18.915 6.692 11.229 414 HZ1 LYS 96 1HZ LYS 96 17.589 5.654 9.538 415 HZ2 LYS 96 2HZ LYS 96 17.383 4.862 10.972 416 HZ3 LYS 96 3HZ LYS 96 16.208 5.874 10.409 417 H LEU 97 H LEU 97 12.746 8.958 11.930 418 HA LEU 97 HA LEU 97 11.215 6.392 12.000 419 HB2 LEU 97 1HB LEU 97 10.344 9.092 10.915 420 HB3 LEU 97 2HB LEU 97 9.402 7.602 10.828 421 HG LEU 97 HG LEU 97 10.203 8.997 13.406 422 HD11 LEU 97 1HD1 LEU 97 7.845 9.671 13.503 423 HD12 LEU 97 2HD1 LEU 97 8.666 10.352 12.079 424 HD13 LEU 97 3HD1 LEU 97 7.574 8.957 11.897 425 HD21 LEU 97 1HD2 LEU 97 8.561 7.440 14.403 426 HD22 LEU 97 2HD2 LEU 97 8.299 6.692 12.807 427 HD23 LEU 97 3HD2 LEU 97 9.885 6.552 13.609 428 H ASP 98 H ASP 98 11.048 5.194 10.172 429 HA ASP 98 HA ASP 98 12.735 6.134 7.891 430 HB2 ASP 98 1HB ASP 98 12.259 3.298 8.893 431 HB3 ASP 98 2HB ASP 98 13.180 3.714 7.457 432 HA PRO 99 HA PRO 99 9.277 5.631 5.343 433 HB2 PRO 99 1HB PRO 99 10.402 5.302 2.882 434 HB3 PRO 99 2HB PRO 99 10.580 6.814 3.782 435 HG2 PRO 99 1HG PRO 99 12.524 4.473 3.575 436 HG3 PRO 99 2HG PRO 99 12.861 6.195 3.373 437 HD2 PRO 99 1HD PRO 99 13.312 4.898 5.744 438 HD3 PRO 99 2HD PRO 99 12.807 6.633 5.679 439 H ASP 100 H ASP 100 11.584 3.070 5.689 440 HA ASP 100 HA ASP 100 10.049 1.204 3.981 441 HB2 ASP 100 1HB ASP 100 12.677 0.872 5.477 442 HB3 ASP 100 2HB ASP 100 11.935 -0.371 4.479 443 H SER 101 H SER 101 10.719 1.906 7.347 444 HA SER 101 HA SER 101 8.935 -0.374 8.092 445 HB2 SER 101 1HB SER 101 11.356 -0.768 8.654 446 HB3 SER 101 2HB SER 101 11.301 0.645 9.697 447 HG SER 101 HG SER 101 9.996 -1.804 9.924 448 H TYR 102 H TYR 102 8.923 0.220 10.859 449 HA TYR 102 HA TYR 102 8.082 3.031 11.116 450 HB2 TYR 102 1HB TYR 102 5.860 2.549 11.919 451 HB3 TYR 102 2HB TYR 102 6.037 1.790 10.343 452 HD1 TYR 102 HD1 TYR 102 5.572 1.253 13.919 453 HD2 TYR 102 HD2 TYR 102 6.266 -0.656 10.140 454 HE1 TYR 102 HE1 TYR 102 4.886 -0.918 14.886 455 HE2 TYR 102 HE2 TYR 102 5.582 -2.822 11.107 456 HH TYR 102 HH TYR 102 5.415 -3.894 13.288 457 H TYR 103 H TYR 103 7.721 3.695 13.314 458 HA TYR 103 HA TYR 103 8.901 1.814 15.311 459 HB2 TYR 103 1HB TYR 103 9.433 4.803 15.055 460 HB3 TYR 103 2HB TYR 103 9.968 3.801 16.398 461 HD1 TYR 103 HD1 TYR 103 10.329 4.373 12.751 462 HD2 TYR 103 HD2 TYR 103 11.907 2.453 16.249 463 HE1 TYR 103 HE1 TYR 103 12.391 3.809 11.511 464 HE2 TYR 103 HE2 TYR 103 13.970 1.890 15.010 465 HH TYR 103 HH TYR 103 14.378 2.819 11.600 466 H THR 104 H THR 104 8.051 1.795 17.336 467 HA THR 104 HA THR 104 5.396 3.130 17.522 468 HB THR 104 HB THR 104 6.496 0.710 19.014 469 HG1 THR 104 HG1 THR 104 5.059 -0.414 17.689 470 HG21 THR 104 1HG2 THR 104 4.198 0.470 19.863 471 HG22 THR 104 2HG2 THR 104 4.911 2.016 20.383 472 HG23 THR 104 3HG2 THR 104 3.735 1.983 19.048 473 H LEU 105 H LEU 105 5.213 4.853 18.738 474 HA LEU 105 HA LEU 105 7.232 5.306 20.870 475 HB2 LEU 105 1HB LEU 105 6.950 7.089 19.207 476 HB3 LEU 105 2HB LEU 105 5.225 7.182 19.570 477 HG LEU 105 HG LEU 105 5.798 7.926 21.889 478 HD11 LEU 105 1HD1 LEU 105 8.104 8.641 22.344 479 HD12 LEU 105 2HD1 LEU 105 8.005 6.891 22.039 480 HD13 LEU 105 3HD1 LEU 105 8.616 7.982 20.773 481 HD21 LEU 105 1HD2 LEU 105 6.499 10.193 21.198 482 HD22 LEU 105 2HD2 LEU 105 6.989 9.557 19.608 483 HD23 LEU 105 3HD2 LEU 105 5.275 9.534 20.087 484 H VAL 106 H VAL 106 6.704 4.614 22.816 485 HA VAL 106 HA VAL 106 3.907 4.370 23.637 486 HB VAL 106 HB VAL 106 6.489 3.978 25.209 487 HG11 VAL 106 1HG1 VAL 106 5.097 2.742 26.798 488 HG12 VAL 106 2HG1 VAL 106 4.609 4.449 26.671 489 HG13 VAL 106 3HG1 VAL 106 3.645 3.188 25.868 490 HG21 VAL 106 1HG2 VAL 106 6.052 1.573 24.828 491 HG22 VAL 106 2HG2 VAL 106 4.633 1.989 23.837 492 HG23 VAL 106 3HG2 VAL 106 6.267 2.440 23.288 493 H SER 107 H SER 107 2.914 6.299 23.890 494 HA SER 107 HA SER 107 4.329 8.527 25.175 495 HB2 SER 107 1HB SER 107 2.913 9.025 23.278 496 HB3 SER 107 2HB SER 107 1.536 8.236 24.033 497 HG SER 107 HG SER 107 2.012 9.814 25.800 498 H GLN 108 H GLN 108 4.344 8.914 27.265 499 HA GLN 108 HA GLN 108 2.391 7.539 29.002 500 HB2 GLN 108 1HB GLN 108 4.837 9.229 29.660 501 HB3 GLN 108 2HB GLN 108 3.814 8.447 30.856 502 HG2 GLN 108 1HG GLN 108 5.342 6.989 28.691 503 HG3 GLN 108 2HG GLN 108 5.890 7.209 30.374 504 HE21 GLN 108 1HE2 GLN 108 3.976 3.931 29.631 505 HE22 GLN 108 2HE2 GLN 108 5.085 4.809 28.631 506 HA PRO 109 HA PRO 109 -0.084 11.043 29.561 507 HB2 PRO 109 1HB PRO 109 -1.242 10.536 31.987 508 HB3 PRO 109 2HB PRO 109 -1.590 9.546 30.565 509 HG2 PRO 109 1HG PRO 109 0.386 9.014 32.826 510 HG3 PRO 109 2HG PRO 109 -0.818 7.916 32.148 511 HD2 PRO 109 1HD PRO 109 1.793 7.840 31.351 512 HD3 PRO 109 2HD PRO 109 0.439 7.488 30.203 513 H GLY 110 H GLY 110 2.169 12.166 29.766 514 HA2 GLY 110 1HA GLY 110 2.766 14.271 30.812 515 HA3 GLY 110 2HA GLY 110 2.139 13.676 32.338 516 H GLY 111 H GLY 111 3.642 11.043 31.196 517 HA2 GLY 111 1HA GLY 111 6.089 11.620 32.781 518 HA3 GLY 111 2HA GLY 111 5.479 10.030 32.359 519 H LYS 112 H LYS 112 7.810 9.743 31.778 520 HA LYS 112 HA LYS 112 8.647 11.032 29.262 521 HB2 LYS 112 1HB LYS 112 10.276 10.652 31.117 522 HB3 LYS 112 2HB LYS 112 10.043 8.919 30.952 523 HG2 LYS 112 1HG LYS 112 10.965 8.974 28.689 524 HG3 LYS 112 2HG LYS 112 11.129 10.734 28.780 525 HD2 LYS 112 1HD LYS 112 12.693 10.495 30.678 526 HD3 LYS 112 2HD LYS 112 12.520 8.733 30.602 527 HE2 LYS 112 1HE LYS 112 13.433 8.741 28.305 528 HE3 LYS 112 2HE LYS 112 13.602 10.497 28.372 529 HZ1 LYS 112 1HZ LYS 112 15.657 9.394 28.868 530 HZ2 LYS 112 2HZ LYS 112 15.136 10.220 30.197 531 HZ3 LYS 112 3HZ LYS 112 14.981 8.581 30.132 532 HA PRO 113 HA PRO 113 6.903 7.788 26.925 533 HB2 PRO 113 1HB PRO 113 7.716 8.616 24.439 534 HB3 PRO 113 2HB PRO 113 6.453 9.461 25.343 535 HG2 PRO 113 1HG PRO 113 9.424 10.121 25.138 536 HG3 PRO 113 2HG PRO 113 8.045 11.208 24.935 537 HD2 PRO 113 1HD PRO 113 9.388 11.052 27.300 538 HD3 PRO 113 2HD PRO 113 7.601 11.323 27.247 539 H GLN 114 H GLN 114 7.594 6.006 25.541 540 HA GLN 114 HA GLN 114 10.547 5.575 25.497 541 HB2 GLN 114 1HB GLN 114 9.657 4.248 27.342 542 HB3 GLN 114 2HB GLN 114 8.396 3.582 26.312 543 HG2 GLN 114 1HG GLN 114 10.085 1.929 26.592 544 HG3 GLN 114 2HG GLN 114 10.181 2.524 24.912 545 HE21 GLN 114 1HE2 GLN 114 13.543 3.292 25.144 546 HE22 GLN 114 2HE2 GLN 114 12.166 2.854 24.186 547 H LEU 115 H LEU 115 11.249 5.367 23.513 548 HA LEU 115 HA LEU 115 9.390 4.634 21.358 549 HB2 LEU 115 1HB LEU 115 11.045 6.459 21.070 550 HB3 LEU 115 2HB LEU 115 12.357 5.297 21.288 551 HG LEU 115 HG LEU 115 11.552 4.104 19.222 552 HD11 LEU 115 1HD1 LEU 115 10.009 5.310 17.740 553 HD12 LEU 115 2HD1 LEU 115 9.234 4.870 19.280 554 HD13 LEU 115 3HD1 LEU 115 9.766 6.544 18.998 555 HD21 LEU 115 1HD2 LEU 115 12.468 5.811 17.685 556 HD22 LEU 115 2HD2 LEU 115 12.262 7.053 18.943 557 HD23 LEU 115 3HD2 LEU 115 13.420 5.724 19.188 558 H VAL 116 H VAL 116 9.149 2.699 20.493 559 HA VAL 116 HA VAL 116 11.273 0.663 21.022 560 HB VAL 116 HB VAL 116 8.256 0.225 20.950 561 HG11 VAL 116 1HG1 VAL 116 8.777 -2.083 21.572 562 HG12 VAL 116 2HG1 VAL 116 9.456 -1.650 19.984 563 HG13 VAL 116 3HG1 VAL 116 10.515 -1.731 21.413 564 HG21 VAL 116 1HG2 VAL 116 8.545 -0.355 23.339 565 HG22 VAL 116 2HG2 VAL 116 10.273 0.056 23.228 566 HG23 VAL 116 3HG2 VAL 116 9.041 1.322 23.020 567 H ALA 117 H ALA 117 12.119 -0.236 19.277 568 HA ALA 117 HA ALA 117 11.027 0.401 16.651 569 HB1 ALA 117 1HB ALA 117 12.987 -0.846 15.802 570 HB2 ALA 117 2HB ALA 117 13.454 0.369 17.018 571 HB3 ALA 117 3HB ALA 117 13.374 -1.350 17.464 572 H GLU 118 H GLU 118 8.939 -0.658 17.090 573 HA GLU 118 HA GLU 118 8.791 -3.516 17.367 574 HB2 GLU 118 1HB GLU 118 6.944 -1.940 17.970 575 HB3 GLU 118 2HB GLU 118 6.714 -1.580 16.266 576 HG2 GLU 118 1HG GLU 118 6.077 -3.883 15.821 577 HG3 GLU 118 2HG GLU 118 6.406 -4.326 17.494 578 HA PRO 119 HA PRO 119 9.918 -4.826 13.339 579 HB2 PRO 119 1HB PRO 119 7.983 -7.054 14.098 580 HB3 PRO 119 2HB PRO 119 9.593 -7.181 13.376 581 HG2 PRO 119 1HG PRO 119 9.350 -7.663 15.978 582 HG3 PRO 119 2HG PRO 119 10.704 -6.672 15.424 583 HD2 PRO 119 1HD PRO 119 8.076 -5.795 16.675 584 HD3 PRO 119 2HD PRO 119 9.748 -5.174 16.979 Start of MODEL 7 1 H GLN 38 1H GLN 38 1.334 -2.956 3.829 2 HA GLN 38 HA GLN 38 2.943 -2.009 5.280 3 HB2 GLN 38 1HB GLN 38 3.637 -1.809 2.320 4 HB3 GLN 38 2HB GLN 38 4.803 -1.902 3.633 5 HG2 GLN 38 1HG GLN 38 2.767 -4.038 2.972 6 HG3 GLN 38 2HG GLN 38 4.486 -4.049 2.491 7 HE21 GLN 38 1HE2 GLN 38 3.441 -5.697 5.927 8 HE22 GLN 38 2HE2 GLN 38 2.403 -5.419 4.568 9 H ALA 39 H ALA 39 4.717 -0.327 5.303 10 HA ALA 39 HA ALA 39 3.496 2.286 5.379 11 HB1 ALA 39 1HB ALA 39 5.755 3.063 6.022 12 HB2 ALA 39 2HB ALA 39 5.256 1.635 6.961 13 HB3 ALA 39 3HB ALA 39 6.413 1.460 5.621 14 HA PRO 40 HA PRO 40 4.070 3.784 1.351 15 HB2 PRO 40 1HB PRO 40 4.938 6.343 2.744 16 HB3 PRO 40 2HB PRO 40 3.731 6.123 1.470 17 HG2 PRO 40 1HG PRO 40 2.877 6.474 3.964 18 HG3 PRO 40 2HG PRO 40 2.104 5.241 2.964 19 HD2 PRO 40 1HD PRO 40 4.236 4.903 5.116 20 HD3 PRO 40 2HD PRO 40 2.748 3.914 4.820 21 H LYS 41 H LYS 41 5.738 3.980 -0.110 22 HA LYS 41 HA LYS 41 8.339 3.184 0.768 23 HB2 LYS 41 1HB LYS 41 7.391 2.658 -1.477 24 HB3 LYS 41 2HB LYS 41 7.498 4.356 -1.915 25 HG2 LYS 41 1HG LYS 41 9.938 4.285 -1.718 26 HG3 LYS 41 2HG LYS 41 9.860 2.595 -1.201 27 HD2 LYS 41 1HD LYS 41 8.819 1.982 -3.362 28 HD3 LYS 41 2HD LYS 41 8.900 3.673 -3.879 29 HE2 LYS 41 1HE LYS 41 11.365 3.618 -3.678 30 HE3 LYS 41 2HE LYS 41 11.287 1.931 -3.161 31 HZ1 LYS 41 1HZ LYS 41 11.777 2.118 -5.487 32 HZ2 LYS 41 2HZ LYS 41 10.313 1.385 -5.284 33 HZ3 LYS 41 3HZ LYS 41 10.387 2.961 -5.766 34 H GLY 42 H GLY 42 9.907 4.308 1.636 35 HA2 GLY 42 1HA GLY 42 11.558 6.003 1.625 36 HA3 GLY 42 2HA GLY 42 10.570 6.962 0.538 37 H SER 43 H SER 43 8.634 5.771 3.014 38 HA SER 43 HA SER 43 8.956 8.314 4.557 39 HB2 SER 43 1HB SER 43 6.433 6.724 3.983 40 HB3 SER 43 2HB SER 43 6.521 8.133 5.030 41 HG SER 43 HG SER 43 7.202 8.022 2.300 42 H ALA 44 H ALA 44 8.302 8.236 6.808 43 HA ALA 44 HA ALA 44 9.036 5.634 8.017 44 HB1 ALA 44 1HB ALA 44 9.272 6.930 10.111 45 HB2 ALA 44 2HB ALA 44 10.255 7.617 8.795 46 HB3 ALA 44 3HB ALA 44 8.723 8.392 9.258 47 H PHE 45 H PHE 45 7.791 4.534 9.484 48 HA PHE 45 HA PHE 45 4.964 5.483 9.718 49 HB2 PHE 45 1HB PHE 45 5.016 3.423 8.461 50 HB3 PHE 45 2HB PHE 45 6.109 2.670 9.611 51 HD1 PHE 45 HD1 PHE 45 2.670 3.440 8.808 52 HD2 PHE 45 HD2 PHE 45 5.291 2.072 11.893 53 HE1 PHE 45 HE1 PHE 45 0.733 2.525 10.048 54 HE2 PHE 45 HE2 PHE 45 3.358 1.155 13.132 55 HZ PHE 45 HZ PHE 45 1.079 1.383 12.211 56 H VAL 46 H VAL 46 4.191 5.901 11.667 57 HA VAL 46 HA VAL 46 5.588 4.692 14.014 58 HB VAL 46 HB VAL 46 4.488 7.525 13.770 59 HG11 VAL 46 1HG1 VAL 46 5.277 7.836 16.064 60 HG12 VAL 46 2HG1 VAL 46 4.001 6.599 15.961 61 HG13 VAL 46 3HG1 VAL 46 5.704 6.110 16.153 62 HG21 VAL 46 1HG2 VAL 46 6.841 8.174 14.169 63 HG22 VAL 46 2HG2 VAL 46 7.309 6.454 14.191 64 HG23 VAL 46 3HG2 VAL 46 6.687 7.189 12.694 65 H ARG 47 H ARG 47 4.319 3.618 15.376 66 HA ARG 47 HA ARG 47 1.388 4.201 15.293 67 HB2 ARG 47 1HB ARG 47 1.791 1.933 14.589 68 HB3 ARG 47 2HB ARG 47 2.878 1.641 15.938 69 HG2 ARG 47 1HG ARG 47 1.031 1.766 17.514 70 HG3 ARG 47 2HG ARG 47 -0.091 2.178 16.196 71 HD2 ARG 47 1HD ARG 47 1.545 -0.337 16.223 72 HD3 ARG 47 2HD ARG 47 -0.067 -0.214 16.959 73 HE ARG 47 HE ARG 47 -0.445 0.751 14.430 74 HH11 ARG 47 1HH1 ARG 47 0.935 -2.205 15.733 75 HH12 ARG 47 2HH1 ARG 47 0.466 -3.180 14.357 76 HH21 ARG 47 1HH2 ARG 47 -1.049 -0.522 12.650 77 HH22 ARG 47 2HH2 ARG 47 -0.658 -2.228 12.613 78 H ALA 48 H ALA 48 0.973 5.586 16.892 79 HA ALA 48 HA ALA 48 2.492 5.507 19.382 80 HB1 ALA 48 1HB ALA 48 1.044 7.405 20.038 81 HB2 ALA 48 2HB ALA 48 1.773 7.653 18.433 82 HB3 ALA 48 3HB ALA 48 0.071 7.158 18.570 83 H TYR 49 H TYR 49 1.760 5.029 21.431 84 HA TYR 49 HA TYR 49 -0.945 3.818 21.646 85 HB2 TYR 49 1HB TYR 49 0.563 1.922 21.285 86 HB3 TYR 49 2HB TYR 49 1.642 2.496 22.550 87 HD1 TYR 49 HD1 TYR 49 -1.830 1.283 21.948 88 HD2 TYR 49 HD2 TYR 49 1.344 1.851 24.776 89 HE1 TYR 49 HE1 TYR 49 -3.082 -0.039 23.619 90 HE2 TYR 49 HE2 TYR 49 0.093 0.528 26.447 91 HH TYR 49 HH TYR 49 -3.111 -0.820 25.700 92 H ASN 50 H ASN 50 -2.013 4.303 23.445 93 HA ASN 50 HA ASN 50 -0.575 6.027 25.397 94 HB2 ASN 50 1HB ASN 50 -2.604 6.930 24.257 95 HB3 ASN 50 2HB ASN 50 -3.558 5.643 24.983 96 HD21 ASN 50 1HD2 ASN 50 -3.651 8.838 26.991 97 HD22 ASN 50 2HD2 ASN 50 -3.821 8.512 25.298 98 H ALA 51 H ALA 51 0.273 4.959 27.023 99 HA ALA 51 HA ALA 51 -1.103 2.507 27.964 100 HB1 ALA 51 1HB ALA 51 1.030 2.023 29.118 101 HB2 ALA 51 2HB ALA 51 1.271 2.298 27.377 102 HB3 ALA 51 3HB ALA 51 1.683 3.575 28.543 103 H GLY 52 H GLY 52 -1.960 5.307 28.587 104 HA2 GLY 52 1HA GLY 52 -1.830 5.064 31.572 105 HA3 GLY 52 2HA GLY 52 -1.767 6.614 30.758 106 H ASN 53 H ASN 53 -3.648 7.050 32.178 107 HA ASN 53 HA ASN 53 -6.168 5.954 30.996 108 HB2 ASN 53 1HB ASN 53 -5.592 6.909 33.817 109 HB3 ASN 53 2HB ASN 53 -7.206 6.567 33.209 110 HD21 ASN 53 1HD2 ASN 53 -4.967 3.627 34.661 111 HD22 ASN 53 2HD2 ASN 53 -4.647 5.317 34.865 112 H SER 54 H SER 54 -4.539 8.237 30.083 113 HA SER 54 HA SER 54 -6.750 10.199 30.057 114 HB2 SER 54 1HB SER 54 -5.346 10.937 31.921 115 HB3 SER 54 2HB SER 54 -3.916 10.881 30.904 116 HG SER 54 HG SER 54 -4.942 12.416 29.561 117 H GLU 55 H GLU 55 -7.058 11.029 28.109 118 HA GLU 55 HA GLU 55 -5.573 10.133 25.859 119 HB2 GLU 55 1HB GLU 55 -7.937 10.963 25.799 120 HB3 GLU 55 2HB GLU 55 -7.350 12.597 26.072 121 HG2 GLU 55 1HG GLU 55 -6.131 12.547 23.958 122 HG3 GLU 55 2HG GLU 55 -6.631 10.877 23.687 123 H LEU 56 H LEU 56 -3.860 10.864 24.775 124 HA LEU 56 HA LEU 56 -2.527 13.279 25.926 125 HB2 LEU 56 1HB LEU 56 -1.271 10.761 24.774 126 HB3 LEU 56 2HB LEU 56 -0.385 12.175 25.356 127 HG LEU 56 HG LEU 56 -2.133 10.382 27.076 128 HD11 LEU 56 1HD1 LEU 56 -0.001 9.579 27.986 129 HD12 LEU 56 2HD1 LEU 56 -0.152 9.221 26.249 130 HD13 LEU 56 3HD1 LEU 56 0.879 10.565 26.796 131 HD21 LEU 56 1HD2 LEU 56 -1.086 11.634 28.932 132 HD22 LEU 56 2HD2 LEU 56 -0.220 12.652 27.756 133 HD23 LEU 56 3HD2 LEU 56 -1.996 12.724 27.859 134 H ASP 57 H ASP 57 -1.427 14.673 24.568 135 HA ASP 57 HA ASP 57 -2.438 14.651 21.796 136 HB2 ASP 57 1HB ASP 57 -2.577 16.734 23.133 137 HB3 ASP 57 2HB ASP 57 -0.828 16.741 23.319 138 H VAL 58 H VAL 58 -1.343 13.626 20.286 139 HA VAL 58 HA VAL 58 1.558 13.173 20.706 140 HB VAL 58 HB VAL 58 -0.400 11.932 18.723 141 HG11 VAL 58 1HG1 VAL 58 1.382 10.319 18.268 142 HG12 VAL 58 2HG1 VAL 58 1.855 11.976 17.825 143 HG13 VAL 58 3HG1 VAL 58 2.483 11.240 19.319 144 HG21 VAL 58 1HG2 VAL 58 -0.173 9.932 20.162 145 HG22 VAL 58 2HG2 VAL 58 0.876 10.848 21.269 146 HG23 VAL 58 3HG2 VAL 58 -0.833 11.308 21.074 147 H SER 59 H SER 59 3.101 14.080 19.503 148 HA SER 59 HA SER 59 2.548 14.848 16.734 149 HB2 SER 59 1HB SER 59 3.164 17.162 16.937 150 HB3 SER 59 2HB SER 59 1.845 16.852 18.055 151 HG SER 59 HG SER 59 3.373 16.629 19.694 152 H VAL 60 H VAL 60 4.542 15.689 15.650 153 HA VAL 60 HA VAL 60 7.064 14.989 17.015 154 HB VAL 60 HB VAL 60 6.296 12.854 15.994 155 HG11 VAL 60 1HG1 VAL 60 6.154 12.639 13.561 156 HG12 VAL 60 2HG1 VAL 60 4.932 13.763 14.203 157 HG13 VAL 60 3HG1 VAL 60 6.388 14.394 13.394 158 HG21 VAL 60 1HG2 VAL 60 8.350 12.407 14.690 159 HG22 VAL 60 2HG2 VAL 60 8.648 14.158 14.564 160 HG23 VAL 60 3HG2 VAL 60 8.709 13.356 16.151 161 H GLY 61 H GLY 61 8.646 16.335 16.469 162 HA2 GLY 61 1HA GLY 61 9.836 17.966 15.323 163 HA3 GLY 61 2HA GLY 61 9.087 17.388 13.848 164 H SER 62 H SER 62 7.858 18.816 12.800 165 HA SER 62 HA SER 62 6.463 20.912 14.415 166 HB2 SER 62 1HB SER 62 6.485 22.292 12.394 167 HB3 SER 62 2HB SER 62 8.118 21.834 12.858 168 HG SER 62 HG SER 62 6.814 20.101 11.180 169 H THR 63 H THR 63 5.828 18.020 13.278 170 HA THR 63 HA THR 63 3.336 18.742 11.822 171 HB THR 63 HB THR 63 4.742 16.054 12.151 172 HG1 THR 63 HG1 THR 63 4.431 17.804 9.909 173 HG21 THR 63 1HG2 THR 63 3.105 15.245 10.496 174 HG22 THR 63 2HG2 THR 63 2.289 15.806 11.976 175 HG23 THR 63 3HG2 THR 63 2.292 16.826 10.520 176 H SER 64 H SER 64 1.545 18.934 12.937 177 HA SER 64 HA SER 64 1.220 17.688 15.555 178 HB2 SER 64 1HB SER 64 0.210 19.853 15.136 179 HB3 SER 64 2HB SER 64 -0.675 19.226 13.754 180 HG SER 64 HG SER 64 -1.301 17.629 15.628 181 H LEU 65 H LEU 65 0.493 15.738 15.988 182 HA LEU 65 HA LEU 65 -0.783 14.213 13.763 183 HB2 LEU 65 1HB LEU 65 0.622 13.202 16.261 184 HB3 LEU 65 2HB LEU 65 -0.057 12.197 14.980 185 HG LEU 65 HG LEU 65 2.267 14.129 14.648 186 HD11 LEU 65 1HD1 LEU 65 3.618 12.086 14.481 187 HD12 LEU 65 2HD1 LEU 65 2.823 12.221 16.067 188 HD13 LEU 65 3HD1 LEU 65 2.177 11.105 14.841 189 HD21 LEU 65 1HD2 LEU 65 2.492 13.032 12.445 190 HD22 LEU 65 2HD2 LEU 65 1.037 12.063 12.778 191 HD23 LEU 65 3HD2 LEU 65 0.909 13.830 12.602 192 H ASN 66 H ASN 66 -2.193 12.340 14.671 193 HA ASN 66 HA ASN 66 -4.432 13.667 15.953 194 HB2 ASN 66 1HB ASN 66 -3.993 10.782 15.119 195 HB3 ASN 66 2HB ASN 66 -5.505 11.405 15.763 196 HD21 ASN 66 1HD2 ASN 66 -5.286 11.446 11.960 197 HD22 ASN 66 2HD2 ASN 66 -4.778 10.264 13.120 198 H ASP 67 H ASP 67 -5.361 13.337 17.918 199 HA ASP 67 HA ASP 67 -3.587 12.587 20.068 200 HB2 ASP 67 1HB ASP 67 -6.575 13.164 20.020 201 HB3 ASP 67 2HB ASP 67 -5.651 12.889 21.490 202 H VAL 68 H VAL 68 -3.803 10.900 21.573 203 HA VAL 68 HA VAL 68 -5.155 8.494 20.422 204 HB VAL 68 HB VAL 68 -2.592 8.634 22.070 205 HG11 VAL 68 1HG1 VAL 68 -2.415 6.235 21.623 206 HG12 VAL 68 2HG1 VAL 68 -3.872 6.633 22.565 207 HG13 VAL 68 3HG1 VAL 68 -4.006 6.267 20.827 208 HG21 VAL 68 1HG2 VAL 68 -1.511 7.862 19.983 209 HG22 VAL 68 2HG2 VAL 68 -3.077 7.950 19.141 210 HG23 VAL 68 3HG2 VAL 68 -2.310 9.435 19.751 211 H ALA 69 H ALA 69 -6.708 7.636 21.607 212 HA ALA 69 HA ALA 69 -7.314 8.721 24.219 213 HB1 ALA 69 1HB ALA 69 -9.199 7.120 24.184 214 HB2 ALA 69 2HB ALA 69 -9.093 8.047 22.668 215 HB3 ALA 69 3HB ALA 69 -8.519 6.365 22.723 216 HA PRO 70 HA PRO 70 -5.364 6.158 27.079 217 HB2 PRO 70 1HB PRO 70 -8.140 5.403 28.082 218 HB3 PRO 70 2HB PRO 70 -6.728 5.920 29.013 219 HG2 PRO 70 1HG PRO 70 -8.643 7.703 28.548 220 HG3 PRO 70 2HG PRO 70 -6.958 8.201 28.360 221 HD2 PRO 70 1HD PRO 70 -8.982 7.432 26.225 222 HD3 PRO 70 2HD PRO 70 -7.758 8.765 26.211 223 H LEU 71 H LEU 71 -4.483 4.225 26.660 224 HA LEU 71 HA LEU 71 -4.257 1.986 26.172 225 HB2 LEU 71 1HB LEU 71 -7.246 1.818 26.693 226 HB3 LEU 71 2HB LEU 71 -6.107 0.467 26.658 227 HG LEU 71 HG LEU 71 -6.178 2.700 28.719 228 HD11 LEU 71 1HD1 LEU 71 -6.860 0.897 30.238 229 HD12 LEU 71 2HD1 LEU 71 -8.024 1.113 28.911 230 HD13 LEU 71 3HD1 LEU 71 -6.876 -0.246 28.877 231 HD21 LEU 71 1HD2 LEU 71 -4.425 1.371 29.847 232 HD22 LEU 71 2HD2 LEU 71 -4.406 0.232 28.479 233 HD23 LEU 71 3HD2 LEU 71 -3.880 1.915 28.242 234 H GLY 72 H GLY 72 -5.234 4.086 24.177 235 HA2 GLY 72 1HA GLY 72 -6.180 2.156 22.089 236 HA3 GLY 72 2HA GLY 72 -6.461 3.885 22.040 237 H SER 73 H SER 73 -5.487 3.366 19.818 238 HA SER 73 HA SER 73 -2.659 4.171 19.903 239 HB2 SER 73 1HB SER 73 -1.860 2.376 18.503 240 HB3 SER 73 2HB SER 73 -2.589 1.687 19.946 241 HG SER 73 HG SER 73 -3.558 1.805 17.332 242 H SER 74 H SER 74 -1.818 4.699 17.731 243 HA SER 74 HA SER 74 -3.869 5.139 15.657 244 HB2 SER 74 1HB SER 74 -4.053 7.142 17.069 245 HB3 SER 74 2HB SER 74 -2.324 7.418 16.936 246 HG SER 74 HG SER 74 -2.796 7.341 14.581 247 H ASP 75 H ASP 75 -3.044 4.658 13.758 248 HA ASP 75 HA ASP 75 -0.139 4.388 13.457 249 HB2 ASP 75 1HB ASP 75 -2.471 3.852 11.577 250 HB3 ASP 75 2HB ASP 75 -0.787 3.622 11.121 251 H PHE 76 H PHE 76 1.209 5.626 12.282 252 HA PHE 76 HA PHE 76 0.014 7.998 10.914 253 HB2 PHE 76 1HB PHE 76 2.539 7.969 12.617 254 HB3 PHE 76 2HB PHE 76 1.918 9.350 11.728 255 HD1 PHE 76 HD1 PHE 76 2.124 7.938 14.868 256 HD2 PHE 76 HD2 PHE 76 -0.701 9.825 12.280 257 HE1 PHE 76 HE1 PHE 76 0.765 8.586 16.829 258 HE2 PHE 76 HE2 PHE 76 -2.063 10.478 14.238 259 HZ PHE 76 HZ PHE 76 -1.329 9.856 16.513 260 H LYS 77 H LYS 77 0.480 8.030 8.845 261 HA LYS 77 HA LYS 77 2.985 6.665 7.955 262 HB2 LYS 77 1HB LYS 77 0.332 7.019 6.506 263 HB3 LYS 77 2HB LYS 77 1.786 6.364 5.762 264 HG2 LYS 77 1HG LYS 77 1.772 4.485 7.345 265 HG3 LYS 77 2HG LYS 77 0.335 5.152 8.134 266 HD2 LYS 77 1HD LYS 77 -0.919 4.956 6.004 267 HD3 LYS 77 2HD LYS 77 0.516 4.273 5.228 268 HE2 LYS 77 1HE LYS 77 0.481 2.373 6.786 269 HE3 LYS 77 2HE LYS 77 -0.912 3.062 7.624 270 HZ1 LYS 77 1HZ LYS 77 -1.565 1.383 6.060 271 HZ2 LYS 77 2HZ LYS 77 -2.167 2.847 5.590 272 HZ3 LYS 77 3HZ LYS 77 -0.866 2.200 4.808 273 H PHE 78 H PHE 78 3.859 7.483 5.860 274 HA PHE 78 HA PHE 78 4.650 9.173 4.514 275 HB2 PHE 78 1HB PHE 78 2.112 10.632 5.359 276 HB3 PHE 78 2HB PHE 78 3.160 11.093 4.028 277 HD1 PHE 78 HD1 PHE 78 0.409 9.047 5.068 278 HD2 PHE 78 HD2 PHE 78 3.441 9.472 2.089 279 HE1 PHE 78 HE1 PHE 78 -0.881 7.584 3.548 280 HE2 PHE 78 HE2 PHE 78 2.154 8.012 0.566 281 HZ PHE 78 HZ PHE 78 -0.008 7.066 1.298 282 H LEU 79 H LEU 79 5.379 9.024 7.331 283 HA LEU 79 HA LEU 79 5.662 11.825 8.181 284 HB2 LEU 79 1HB LEU 79 6.686 9.222 9.369 285 HB3 LEU 79 2HB LEU 79 6.903 10.813 10.106 286 HG LEU 79 HG LEU 79 4.234 9.447 9.611 287 HD11 LEU 79 1HD1 LEU 79 4.191 9.218 12.055 288 HD12 LEU 79 2HD1 LEU 79 5.567 8.346 11.338 289 HD13 LEU 79 3HD1 LEU 79 5.828 9.911 12.149 290 HD21 LEU 79 1HD2 LEU 79 3.341 11.312 10.963 291 HD22 LEU 79 2HD2 LEU 79 4.965 12.035 11.041 292 HD23 LEU 79 3HD2 LEU 79 4.120 11.911 9.480 293 HA PRO 80 HA PRO 80 9.354 12.470 5.899 294 HB2 PRO 80 1HB PRO 80 9.719 14.551 8.088 295 HB3 PRO 80 2HB PRO 80 9.906 14.736 6.340 296 HG2 PRO 80 1HG PRO 80 7.679 15.653 7.467 297 HG3 PRO 80 2HG PRO 80 7.556 14.759 5.950 298 HD2 PRO 80 1HD PRO 80 7.046 13.794 8.792 299 HD3 PRO 80 2HD PRO 80 6.091 13.470 7.289 300 HA PRO 81 HA PRO 81 11.946 10.002 8.632 301 HB2 PRO 81 1HB PRO 81 13.711 10.227 6.184 302 HB3 PRO 81 2HB PRO 81 13.260 8.786 7.104 303 HG2 PRO 81 1HG PRO 81 12.082 9.216 4.752 304 HG3 PRO 81 2HG PRO 81 11.107 8.652 6.111 305 HD2 PRO 81 1HD PRO 81 11.433 11.491 5.040 306 HD3 PRO 81 2HD PRO 81 9.917 10.619 5.500 307 H GLY 82 H GLY 82 13.790 10.498 9.831 308 HA2 GLY 82 1HA GLY 82 15.988 11.937 9.508 309 HA3 GLY 82 2HA GLY 82 14.842 13.264 9.488 310 H SER 83 H SER 83 16.054 14.000 11.388 311 HA SER 83 HA SER 83 15.408 12.481 13.870 312 HB2 SER 83 1HB SER 83 17.764 13.007 13.588 313 HB3 SER 83 2HB SER 83 17.397 14.704 13.319 314 HG SER 83 HG SER 83 16.238 13.913 15.559 315 H TYR 84 H TYR 84 13.564 13.045 14.779 316 HA TYR 84 HA TYR 84 12.949 15.955 14.996 317 HB2 TYR 84 1HB TYR 84 10.978 13.767 14.209 318 HB3 TYR 84 2HB TYR 84 10.543 15.429 14.581 319 HD1 TYR 84 HD1 TYR 84 11.992 13.167 12.115 320 HD2 TYR 84 HD2 TYR 84 11.182 17.269 13.075 321 HE1 TYR 84 HE1 TYR 84 12.363 13.794 9.752 322 HE2 TYR 84 HE2 TYR 84 11.555 17.896 10.713 323 HH TYR 84 HH TYR 84 12.402 15.450 8.273 324 H THR 85 H THR 85 11.577 16.548 16.737 325 HA THR 85 HA THR 85 11.936 14.767 19.060 326 HB THR 85 HB THR 85 10.847 17.611 18.877 327 HG1 THR 85 HG1 THR 85 13.070 17.625 20.172 328 HG21 THR 85 1HG2 THR 85 11.130 17.627 21.323 329 HG22 THR 85 2HG2 THR 85 9.964 16.377 20.827 330 HG23 THR 85 3HG2 THR 85 11.621 15.918 21.284 331 H ALA 86 H ALA 86 10.471 13.348 19.628 332 HA ALA 86 HA ALA 86 7.702 13.683 18.644 333 HB1 ALA 86 1HB ALA 86 7.408 11.339 19.373 334 HB2 ALA 86 2HB ALA 86 8.793 11.515 18.270 335 HB3 ALA 86 3HB ALA 86 9.064 11.338 20.021 336 H GLN 87 H GLN 87 6.292 14.711 19.842 337 HA GLN 87 HA GLN 87 6.600 14.575 22.806 338 HB2 GLN 87 1HB GLN 87 6.715 16.853 21.857 339 HB3 GLN 87 2HB GLN 87 5.157 16.625 21.076 340 HG2 GLN 87 1HG GLN 87 4.057 16.445 23.242 341 HG3 GLN 87 2HG GLN 87 5.636 16.609 24.063 342 HE21 GLN 87 1HE2 GLN 87 3.875 19.906 24.019 343 HE22 GLN 87 2HE2 GLN 87 3.483 18.318 24.590 344 H VAL 88 H VAL 88 5.141 13.575 24.003 345 HA VAL 88 HA VAL 88 2.389 13.298 22.885 346 HB VAL 88 HB VAL 88 3.872 11.198 24.524 347 HG11 VAL 88 1HG1 VAL 88 1.913 9.797 24.087 348 HG12 VAL 88 2HG1 VAL 88 1.495 11.257 25.014 349 HG13 VAL 88 3HG1 VAL 88 1.116 11.165 23.277 350 HG21 VAL 88 1HG2 VAL 88 3.777 9.854 22.449 351 HG22 VAL 88 2HG2 VAL 88 3.039 11.230 21.594 352 HG23 VAL 88 3HG2 VAL 88 4.708 11.350 22.205 353 H GLY 89 H GLY 89 1.205 14.659 24.056 354 HA2 GLY 89 1HA GLY 89 0.129 15.478 25.979 355 HA3 GLY 89 2HA GLY 89 1.106 14.414 26.973 356 H GLN 90 H GLN 90 2.838 15.223 28.040 357 HA GLN 90 HA GLN 90 3.471 18.096 27.516 358 HB2 GLN 90 1HB GLN 90 3.582 16.544 30.135 359 HB3 GLN 90 2HB GLN 90 4.069 18.220 29.932 360 HG2 GLN 90 1HG GLN 90 1.280 17.149 29.458 361 HG3 GLN 90 2HG GLN 90 1.842 18.000 30.923 362 HE21 GLN 90 1HE2 GLN 90 0.259 20.128 28.023 363 HE22 GLN 90 2HE2 GLN 90 -0.041 18.459 28.379 364 H GLN 91 H GLN 91 4.716 14.881 27.828 365 HA GLN 91 HA GLN 91 7.501 15.904 28.008 366 HB2 GLN 91 1HB GLN 91 6.420 13.064 28.215 367 HB3 GLN 91 2HB GLN 91 8.104 13.525 28.406 368 HG2 GLN 91 1HG GLN 91 5.829 14.447 30.173 369 HG3 GLN 91 2HG GLN 91 7.003 13.156 30.550 370 HE21 GLN 91 1HE2 GLN 91 7.815 16.848 31.673 371 HE22 GLN 91 2HE2 GLN 91 6.247 16.184 31.362 372 H SER 92 H SER 92 9.139 15.133 26.593 373 HA SER 92 HA SER 92 8.264 13.921 24.055 374 HB2 SER 92 1HB SER 92 9.015 15.739 22.665 375 HB3 SER 92 2HB SER 92 7.825 16.363 23.793 376 HG SER 92 HG SER 92 9.306 17.740 24.171 377 H LEU 93 H LEU 93 9.911 13.004 22.870 378 HA LEU 93 HA LEU 93 12.695 13.541 23.731 379 HB2 LEU 93 1HB LEU 93 11.386 10.806 23.641 380 HB3 LEU 93 2HB LEU 93 13.137 11.037 23.612 381 HG LEU 93 HG LEU 93 11.320 11.963 25.864 382 HD11 LEU 93 1HD1 LEU 93 12.244 10.054 27.099 383 HD12 LEU 93 2HD1 LEU 93 11.330 9.531 25.666 384 HD13 LEU 93 3HD1 LEU 93 13.109 9.525 25.635 385 HD21 LEU 93 1HD2 LEU 93 13.465 12.247 27.061 386 HD22 LEU 93 2HD2 LEU 93 14.349 11.750 25.596 387 HD23 LEU 93 3HD2 LEU 93 13.407 13.263 25.598 388 HA PRO 94 HA PRO 94 13.442 13.612 19.409 389 HB2 PRO 94 1HB PRO 94 16.123 12.472 20.261 390 HB3 PRO 94 2HB PRO 94 15.785 13.849 19.207 391 HG2 PRO 94 1HG PRO 94 16.558 14.338 21.706 392 HG3 PRO 94 2HG PRO 94 15.234 15.287 21.022 393 HD2 PRO 94 1HD PRO 94 15.103 12.884 22.896 394 HD3 PRO 94 2HD PRO 94 14.177 14.438 22.970 395 H VAL 95 H VAL 95 13.109 12.136 17.819 396 HA VAL 95 HA VAL 95 13.778 9.283 18.396 397 HB VAL 95 HB VAL 95 11.753 8.623 17.125 398 HG11 VAL 95 1HG1 VAL 95 10.095 9.227 18.818 399 HG12 VAL 95 2HG1 VAL 95 11.647 8.751 19.546 400 HG13 VAL 95 3HG1 VAL 95 11.197 10.470 19.454 401 HG21 VAL 95 1HG2 VAL 95 10.046 10.339 16.601 402 HG22 VAL 95 2HG2 VAL 95 11.154 11.611 17.165 403 HG23 VAL 95 3HG2 VAL 95 11.563 10.650 15.724 404 H LYS 96 H LYS 96 14.422 8.013 16.642 405 HA LYS 96 HA LYS 96 15.324 9.582 14.283 406 HB2 LYS 96 1HB LYS 96 17.043 8.278 15.517 407 HB3 LYS 96 2HB LYS 96 16.134 6.802 15.222 408 HG2 LYS 96 1HG LYS 96 16.475 7.058 12.799 409 HG3 LYS 96 2HG LYS 96 17.366 8.561 13.080 410 HD2 LYS 96 1HD LYS 96 19.040 7.321 14.417 411 HD3 LYS 96 2HD LYS 96 18.151 5.817 14.131 412 HE2 LYS 96 1HE LYS 96 18.503 6.075 11.693 413 HE3 LYS 96 2HE LYS 96 19.400 7.569 11.981 414 HZ1 LYS 96 1HZ LYS 96 20.860 5.705 11.700 415 HZ2 LYS 96 2HZ LYS 96 21.003 6.296 13.233 416 HZ3 LYS 96 3HZ LYS 96 20.166 4.900 12.962 417 H LEU 97 H LEU 97 14.128 9.556 12.539 418 HA LEU 97 HA LEU 97 12.324 7.219 12.115 419 HB2 LEU 97 1HB LEU 97 12.128 10.045 11.019 420 HB3 LEU 97 2HB LEU 97 10.969 8.745 10.732 421 HG LEU 97 HG LEU 97 11.554 10.030 13.424 422 HD11 LEU 97 1HD1 LEU 97 9.304 10.976 13.168 423 HD12 LEU 97 2HD1 LEU 97 10.397 11.525 11.878 424 HD13 LEU 97 3HD1 LEU 97 9.188 10.262 11.544 425 HD21 LEU 97 1HD2 LEU 97 9.614 8.697 14.176 426 HD22 LEU 97 2HD2 LEU 97 9.502 7.951 12.564 427 HD23 LEU 97 3HD2 LEU 97 10.923 7.645 13.587 428 H ASP 98 H ASP 98 13.539 5.819 10.944 429 HA ASP 98 HA ASP 98 14.887 6.771 8.502 430 HB2 ASP 98 1HB ASP 98 14.601 4.027 9.778 431 HB3 ASP 98 2HB ASP 98 15.385 4.284 8.225 432 HA PRO 99 HA PRO 99 11.510 6.011 5.872 433 HB2 PRO 99 1HB PRO 99 12.811 5.626 3.480 434 HB3 PRO 99 2HB PRO 99 12.705 7.211 4.258 435 HG2 PRO 99 1HG PRO 99 14.976 5.179 4.358 436 HG3 PRO 99 2HG PRO 99 15.073 6.913 4.036 437 HD2 PRO 99 1HD PRO 99 15.572 5.917 6.517 438 HD3 PRO 99 2HD PRO 99 14.740 7.508 6.296 439 H ASP 100 H ASP 100 10.374 4.309 4.890 440 HA ASP 100 HA ASP 100 9.766 2.120 4.529 441 HB2 ASP 100 1HB ASP 100 12.739 1.766 3.975 442 HB3 ASP 100 2HB ASP 100 11.493 0.584 3.592 443 H SER 101 H SER 101 10.099 2.845 7.181 444 HA SER 101 HA SER 101 10.680 0.187 8.327 445 HB2 SER 101 1HB SER 101 12.142 1.006 10.040 446 HB3 SER 101 2HB SER 101 12.798 1.516 8.492 447 HG SER 101 HG SER 101 11.892 3.523 8.807 448 H TYR 102 H TYR 102 9.932 -0.002 10.581 449 HA TYR 102 HA TYR 102 7.527 1.733 10.959 450 HB2 TYR 102 1HB TYR 102 7.878 -1.198 11.717 451 HB3 TYR 102 2HB TYR 102 6.430 -0.231 11.972 452 HD1 TYR 102 HD1 TYR 102 8.677 -1.563 9.316 453 HD2 TYR 102 HD2 TYR 102 4.792 -0.043 10.312 454 HE1 TYR 102 HE1 TYR 102 7.850 -2.210 7.077 455 HE2 TYR 102 HE2 TYR 102 3.963 -0.689 8.077 456 HH TYR 102 HH TYR 102 5.756 -2.702 5.962 457 H TYR 103 H TYR 103 6.990 2.463 12.964 458 HA TYR 103 HA TYR 103 8.802 1.705 15.203 459 HB2 TYR 103 1HB TYR 103 7.974 4.544 14.479 460 HB3 TYR 103 2HB TYR 103 8.836 4.083 15.939 461 HD1 TYR 103 HD1 TYR 103 9.084 4.723 12.367 462 HD2 TYR 103 HD2 TYR 103 11.162 3.248 15.818 463 HE1 TYR 103 HE1 TYR 103 11.236 4.968 11.177 464 HE2 TYR 103 HE2 TYR 103 13.314 3.492 14.629 465 HH TYR 103 HH TYR 103 14.323 4.163 12.770 466 H THR 104 H THR 104 7.899 1.611 17.217 467 HA THR 104 HA THR 104 5.031 2.438 17.405 468 HB THR 104 HB THR 104 6.479 0.244 18.951 469 HG1 THR 104 HG1 THR 104 5.771 -0.924 17.346 470 HG21 THR 104 1HG2 THR 104 4.271 -0.200 19.949 471 HG22 THR 104 2HG2 THR 104 4.832 1.441 20.348 472 HG23 THR 104 3HG2 THR 104 3.596 1.203 19.092 473 H LEU 105 H LEU 105 4.473 3.908 18.870 474 HA LEU 105 HA LEU 105 6.687 4.919 20.604 475 HB2 LEU 105 1HB LEU 105 6.054 6.416 18.715 476 HB3 LEU 105 2HB LEU 105 4.403 6.478 19.340 477 HG LEU 105 HG LEU 105 5.288 7.542 21.429 478 HD11 LEU 105 1HD1 LEU 105 7.582 8.416 21.405 479 HD12 LEU 105 2HD1 LEU 105 7.553 6.638 21.333 480 HD13 LEU 105 3HD1 LEU 105 7.883 7.582 19.861 481 HD21 LEU 105 1HD2 LEU 105 5.714 9.731 20.362 482 HD22 LEU 105 2HD2 LEU 105 5.988 8.916 18.803 483 HD23 LEU 105 3HD2 LEU 105 4.377 8.876 19.558 484 H VAL 106 H VAL 106 6.287 4.110 22.572 485 HA VAL 106 HA VAL 106 3.481 4.130 23.558 486 HB VAL 106 HB VAL 106 5.977 2.768 24.661 487 HG11 VAL 106 1HG1 VAL 106 4.441 1.599 26.164 488 HG12 VAL 106 2HG1 VAL 106 4.437 3.356 26.442 489 HG13 VAL 106 3HG1 VAL 106 3.094 2.592 25.559 490 HG21 VAL 106 1HG2 VAL 106 4.862 0.699 23.892 491 HG22 VAL 106 2HG2 VAL 106 3.533 1.669 23.213 492 HG23 VAL 106 3HG2 VAL 106 5.172 1.804 22.533 493 H SER 107 H SER 107 2.800 5.486 25.076 494 HA SER 107 HA SER 107 4.741 6.848 26.829 495 HB2 SER 107 1HB SER 107 4.697 8.249 24.805 496 HB3 SER 107 2HB SER 107 2.945 8.353 24.900 497 HG SER 107 HG SER 107 3.095 9.472 26.749 498 H GLN 108 H GLN 108 3.830 7.809 28.653 499 HA GLN 108 HA GLN 108 0.908 7.841 28.942 500 HB2 GLN 108 1HB GLN 108 0.829 6.394 30.891 501 HB3 GLN 108 2HB GLN 108 1.514 5.498 29.542 502 HG2 GLN 108 1HG GLN 108 3.777 5.882 30.441 503 HG3 GLN 108 2HG GLN 108 3.052 6.741 31.831 504 HE21 GLN 108 1HE2 GLN 108 2.332 3.869 33.640 505 HE22 GLN 108 2HE2 GLN 108 2.385 5.599 33.558 506 HA PRO 109 HA PRO 109 1.555 11.270 31.503 507 HB2 PRO 109 1HB PRO 109 -0.220 9.875 33.541 508 HB3 PRO 109 2HB PRO 109 -0.332 11.526 32.917 509 HG2 PRO 109 1HG PRO 109 -2.016 9.704 31.961 510 HG3 PRO 109 2HG PRO 109 -1.248 10.825 30.833 511 HD2 PRO 109 1HD PRO 109 -0.521 7.935 31.459 512 HD3 PRO 109 2HD PRO 109 -0.602 8.767 29.854 513 H GLY 110 H GLY 110 3.352 11.660 32.644 514 HA2 GLY 110 1HA GLY 110 4.580 11.572 34.728 515 HA3 GLY 110 2HA GLY 110 3.993 9.941 34.993 516 H GLY 111 H GLY 111 4.543 9.454 31.987 517 HA2 GLY 111 1HA GLY 111 7.459 8.871 32.338 518 HA3 GLY 111 2HA GLY 111 6.351 7.885 31.400 519 H LYS 112 H LYS 112 8.239 8.297 29.850 520 HA LYS 112 HA LYS 112 7.602 10.740 28.247 521 HB2 LYS 112 1HB LYS 112 10.320 9.426 28.645 522 HB3 LYS 112 2HB LYS 112 9.991 10.728 27.508 523 HG2 LYS 112 1HG LYS 112 9.342 12.195 29.405 524 HG3 LYS 112 2HG LYS 112 9.750 10.889 30.526 525 HD2 LYS 112 1HD LYS 112 12.075 10.884 29.667 526 HD3 LYS 112 2HD LYS 112 11.663 12.207 28.564 527 HE2 LYS 112 1HE LYS 112 11.103 13.646 30.490 528 HE3 LYS 112 2HE LYS 112 11.490 12.329 31.598 529 HZ1 LYS 112 1HZ LYS 112 13.310 13.852 31.374 530 HZ2 LYS 112 2HZ LYS 112 13.745 12.377 30.777 531 HZ3 LYS 112 3HZ LYS 112 13.384 13.610 29.744 532 HA PRO 113 HA PRO 113 6.679 8.291 24.827 533 HB2 PRO 113 1HB PRO 113 8.619 10.042 23.272 534 HB3 PRO 113 2HB PRO 113 6.947 9.616 22.879 535 HG2 PRO 113 1HG PRO 113 7.421 12.030 23.887 536 HG3 PRO 113 2HG PRO 113 6.037 11.115 24.490 537 HD2 PRO 113 1HD PRO 113 8.789 11.478 25.741 538 HD3 PRO 113 2HD PRO 113 7.161 11.534 26.532 539 H GLN 114 H GLN 114 7.455 6.290 24.563 540 HA GLN 114 HA GLN 114 10.406 5.906 24.395 541 HB2 GLN 114 1HB GLN 114 9.347 4.679 26.222 542 HB3 GLN 114 2HB GLN 114 8.166 3.981 25.125 543 HG2 GLN 114 1HG GLN 114 9.810 2.328 25.625 544 HG3 GLN 114 2HG GLN 114 10.034 2.833 23.926 545 HE21 GLN 114 1HE2 GLN 114 13.372 3.618 24.351 546 HE22 GLN 114 2HE2 GLN 114 12.058 3.165 23.315 547 H LEU 115 H LEU 115 11.167 5.798 22.414 548 HA LEU 115 HA LEU 115 9.522 4.928 20.177 549 HB2 LEU 115 1HB LEU 115 11.296 6.672 19.992 550 HB3 LEU 115 2HB LEU 115 12.515 5.438 20.317 551 HG LEU 115 HG LEU 115 11.718 4.247 18.219 552 HD11 LEU 115 1HD1 LEU 115 10.440 5.588 16.611 553 HD12 LEU 115 2HD1 LEU 115 9.506 5.274 18.091 554 HD13 LEU 115 3HD1 LEU 115 10.250 6.870 17.830 555 HD21 LEU 115 1HD2 LEU 115 12.938 5.802 16.737 556 HD22 LEU 115 2HD2 LEU 115 12.784 7.089 17.957 557 HD23 LEU 115 3HD2 LEU 115 13.758 5.642 18.309 558 H VAL 116 H VAL 116 9.244 2.945 19.426 559 HA VAL 116 HA VAL 116 11.312 0.898 20.113 560 HB VAL 116 HB VAL 116 8.366 0.489 19.436 561 HG11 VAL 116 1HG1 VAL 116 8.771 -1.852 20.021 562 HG12 VAL 116 2HG1 VAL 116 9.745 -1.336 18.622 563 HG13 VAL 116 3HG1 VAL 116 10.504 -1.500 20.223 564 HG21 VAL 116 1HG2 VAL 116 8.185 -0.224 21.799 565 HG22 VAL 116 2HG2 VAL 116 9.899 0.185 22.051 566 HG23 VAL 116 3HG2 VAL 116 8.725 1.469 21.676 567 H ALA 117 H ALA 117 12.613 0.482 18.474 568 HA ALA 117 HA ALA 117 11.874 1.191 15.754 569 HB1 ALA 117 1HB ALA 117 14.126 0.349 15.179 570 HB2 ALA 117 2HB ALA 117 14.177 1.483 16.549 571 HB3 ALA 117 3HB ALA 117 14.310 -0.268 16.837 572 H GLU 118 H GLU 118 11.129 -0.030 14.157 573 HA GLU 118 HA GLU 118 11.289 -2.983 14.436 574 HB2 GLU 118 1HB GLU 118 8.734 -1.471 13.751 575 HB3 GLU 118 2HB GLU 118 8.927 -3.217 13.729 576 HG2 GLU 118 1HG GLU 118 9.349 -3.210 16.148 577 HG3 GLU 118 2HG GLU 118 9.188 -1.457 16.177 578 HA PRO 119 HA PRO 119 12.684 -1.387 10.334 579 HB2 PRO 119 1HB PRO 119 14.270 -3.953 10.747 580 HB3 PRO 119 2HB PRO 119 14.793 -2.430 10.015 581 HG2 PRO 119 1HG PRO 119 15.546 -2.945 12.512 582 HG3 PRO 119 2HG PRO 119 14.975 -1.322 12.116 583 HD2 PRO 119 1HD PRO 119 13.488 -3.599 13.483 584 HD3 PRO 119 2HD PRO 119 13.497 -1.836 13.890 Start of MODEL 8 1 H GLN 38 1H GLN 38 1.745 -2.354 -2.059 2 HA GLN 38 HA GLN 38 3.831 -1.722 -1.141 3 HB2 GLN 38 1HB GLN 38 3.711 -2.162 -3.545 4 HB3 GLN 38 2HB GLN 38 3.140 -0.529 -3.854 5 HG2 GLN 38 1HG GLN 38 5.447 -0.653 -4.441 6 HG3 GLN 38 2HG GLN 38 5.304 0.344 -2.965 7 HE21 GLN 38 1HE2 GLN 38 7.628 -1.540 -1.236 8 HE22 GLN 38 2HE2 GLN 38 6.847 -0.023 -1.531 9 H ALA 39 H ALA 39 4.603 -0.353 0.278 10 HA ALA 39 HA ALA 39 3.637 2.374 0.465 11 HB1 ALA 39 1HB ALA 39 5.310 2.588 2.274 12 HB2 ALA 39 2HB ALA 39 4.315 1.123 2.466 13 HB3 ALA 39 3HB ALA 39 5.974 0.997 1.837 14 HA PRO 40 HA PRO 40 6.291 4.545 -2.204 15 HB2 PRO 40 1HB PRO 40 6.632 6.450 0.137 16 HB3 PRO 40 2HB PRO 40 6.206 6.814 -1.539 17 HG2 PRO 40 1HG PRO 40 4.268 6.821 0.285 18 HG3 PRO 40 2HG PRO 40 3.961 6.066 -1.282 19 HD2 PRO 40 1HD PRO 40 4.680 4.755 1.372 20 HD3 PRO 40 2HD PRO 40 3.445 4.250 0.150 21 H LYS 41 H LYS 41 8.477 4.669 -2.626 22 HA LYS 41 HA LYS 41 10.280 3.201 -0.974 23 HB2 LYS 41 1HB LYS 41 10.537 3.496 -3.438 24 HB3 LYS 41 2HB LYS 41 10.921 5.194 -3.184 25 HG2 LYS 41 1HG LYS 41 12.939 4.583 -1.939 26 HG3 LYS 41 2HG LYS 41 12.542 2.868 -2.111 27 HD2 LYS 41 1HD LYS 41 12.678 3.084 -4.575 28 HD3 LYS 41 2HD LYS 41 13.083 4.799 -4.398 29 HE2 LYS 41 1HE LYS 41 15.118 4.188 -3.130 30 HE3 LYS 41 2HE LYS 41 14.716 2.477 -3.304 31 HZ1 LYS 41 1HZ LYS 41 16.303 3.182 -4.940 32 HZ2 LYS 41 2HZ LYS 41 14.899 2.737 -5.683 33 HZ3 LYS 41 3HZ LYS 41 15.275 4.335 -5.520 34 H GLY 42 H GLY 42 11.077 3.744 0.908 35 HA2 GLY 42 1HA GLY 42 12.594 5.088 2.209 36 HA3 GLY 42 2HA GLY 42 12.152 6.496 1.261 37 H SER 43 H SER 43 9.361 4.769 1.917 38 HA SER 43 HA SER 43 8.310 6.802 3.638 39 HB2 SER 43 1HB SER 43 6.858 5.529 2.176 40 HB3 SER 43 2HB SER 43 7.319 4.020 2.950 41 HG SER 43 HG SER 43 6.539 5.108 4.926 42 H ALA 44 H ALA 44 8.340 7.056 5.763 43 HA ALA 44 HA ALA 44 9.045 4.678 7.426 44 HB1 ALA 44 1HB ALA 44 9.917 6.276 9.099 45 HB2 ALA 44 2HB ALA 44 10.767 6.422 7.543 46 HB3 ALA 44 3HB ALA 44 9.537 7.622 8.002 47 H PHE 45 H PHE 45 7.936 4.310 9.340 48 HA PHE 45 HA PHE 45 5.313 5.738 9.487 49 HB2 PHE 45 1HB PHE 45 5.803 2.752 9.832 50 HB3 PHE 45 2HB PHE 45 4.260 3.566 10.038 51 HD1 PHE 45 HD1 PHE 45 6.764 2.421 7.620 52 HD2 PHE 45 HD2 PHE 45 2.989 4.355 8.132 53 HE1 PHE 45 HE1 PHE 45 6.282 2.110 5.216 54 HE2 PHE 45 HE2 PHE 45 2.502 4.044 5.729 55 HZ PHE 45 HZ PHE 45 4.150 2.924 4.269 56 H VAL 46 H VAL 46 4.687 6.422 11.432 57 HA VAL 46 HA VAL 46 5.942 5.121 13.813 58 HB VAL 46 HB VAL 46 5.066 8.028 13.537 59 HG11 VAL 46 1HG1 VAL 46 6.033 8.313 15.766 60 HG12 VAL 46 2HG1 VAL 46 4.671 7.167 15.771 61 HG13 VAL 46 3HG1 VAL 46 6.343 6.562 15.854 62 HG21 VAL 46 1HG2 VAL 46 7.481 8.515 13.763 63 HG22 VAL 46 2HG2 VAL 46 7.829 6.770 13.782 64 HG23 VAL 46 3HG2 VAL 46 7.156 7.528 12.320 65 H ARG 47 H ARG 47 4.561 4.082 15.063 66 HA ARG 47 HA ARG 47 1.689 4.899 14.968 67 HB2 ARG 47 1HB ARG 47 1.987 2.609 14.251 68 HB3 ARG 47 2HB ARG 47 2.990 2.242 15.647 69 HG2 ARG 47 1HG ARG 47 1.161 2.250 17.118 70 HG3 ARG 47 2HG ARG 47 0.120 3.115 15.963 71 HD2 ARG 47 1HD ARG 47 1.243 0.393 15.400 72 HD3 ARG 47 2HD ARG 47 -0.289 0.645 16.267 73 HE ARG 47 HE ARG 47 -0.492 2.169 13.968 74 HH11 ARG 47 1HH1 ARG 47 0.052 -1.220 14.722 75 HH12 ARG 47 2HH1 ARG 47 -0.716 -1.797 13.261 76 HH21 ARG 47 1HH2 ARG 47 -1.486 1.405 12.073 77 HH22 ARG 47 2HH2 ARG 47 -1.586 -0.313 11.761 78 H ALA 48 H ALA 48 1.201 6.202 16.595 79 HA ALA 48 HA ALA 48 2.530 5.961 19.187 80 HB1 ALA 48 1HB ALA 48 1.034 7.815 19.851 81 HB2 ALA 48 2HB ALA 48 1.891 8.171 18.332 82 HB3 ALA 48 3HB ALA 48 0.183 7.675 18.296 83 H TYR 49 H TYR 49 1.592 5.408 21.150 84 HA TYR 49 HA TYR 49 -1.134 4.282 21.123 85 HB2 TYR 49 1HB TYR 49 0.220 2.344 20.484 86 HB3 TYR 49 2HB TYR 49 1.321 2.625 21.826 87 HD1 TYR 49 HD1 TYR 49 -2.215 1.786 21.011 88 HD2 TYR 49 HD2 TYR 49 0.919 1.704 23.940 89 HE1 TYR 49 HE1 TYR 49 -3.602 0.335 22.455 90 HE2 TYR 49 HE2 TYR 49 -0.466 0.253 25.383 91 HH TYR 49 HH TYR 49 -3.730 -0.755 24.386 92 H ASN 50 H ASN 50 -2.191 4.637 22.948 93 HA ASN 50 HA ASN 50 -0.692 5.964 25.128 94 HB2 ASN 50 1HB ASN 50 -2.766 6.994 24.203 95 HB3 ASN 50 2HB ASN 50 -3.683 5.600 24.757 96 HD21 ASN 50 1HD2 ASN 50 -3.878 8.369 27.247 97 HD22 ASN 50 2HD2 ASN 50 -4.191 8.238 25.549 98 H ALA 51 H ALA 51 0.301 4.545 26.397 99 HA ALA 51 HA ALA 51 -1.104 2.048 27.116 100 HB1 ALA 51 1HB ALA 51 1.069 1.380 28.087 101 HB2 ALA 51 2HB ALA 51 1.233 1.886 26.388 102 HB3 ALA 51 3HB ALA 51 1.729 2.986 27.696 103 H GLY 52 H GLY 52 -1.302 5.053 28.213 104 HA2 GLY 52 1HA GLY 52 -0.988 4.451 31.102 105 HA3 GLY 52 2HA GLY 52 -1.272 6.031 30.398 106 H ASN 53 H ASN 53 -2.859 5.937 32.295 107 HA ASN 53 HA ASN 53 -5.435 4.740 31.357 108 HB2 ASN 53 1HB ASN 53 -4.443 5.276 34.174 109 HB3 ASN 53 2HB ASN 53 -6.103 4.840 33.786 110 HD21 ASN 53 1HD2 ASN 53 -3.472 1.979 34.391 111 HD22 ASN 53 2HD2 ASN 53 -3.344 3.622 34.926 112 H SER 54 H SER 54 -4.210 7.345 30.656 113 HA SER 54 HA SER 54 -6.596 8.962 31.252 114 HB2 SER 54 1HB SER 54 -5.381 10.847 32.138 115 HB3 SER 54 2HB SER 54 -5.023 9.438 33.125 116 HG SER 54 HG SER 54 -3.446 10.803 31.299 117 H GLU 55 H GLU 55 -6.575 11.039 30.039 118 HA GLU 55 HA GLU 55 -5.716 10.477 27.306 119 HB2 GLU 55 1HB GLU 55 -7.163 12.853 28.544 120 HB3 GLU 55 2HB GLU 55 -6.840 12.684 26.824 121 HG2 GLU 55 1HG GLU 55 -8.198 10.647 26.748 122 HG3 GLU 55 2HG GLU 55 -8.494 10.767 28.481 123 H LEU 56 H LEU 56 -4.002 11.207 26.259 124 HA LEU 56 HA LEU 56 -2.420 13.394 27.532 125 HB2 LEU 56 1HB LEU 56 -1.353 10.795 26.371 126 HB3 LEU 56 2HB LEU 56 -0.355 12.158 26.884 127 HG LEU 56 HG LEU 56 -2.173 10.582 28.738 128 HD11 LEU 56 1HD1 LEU 56 -0.101 9.534 29.538 129 HD12 LEU 56 2HD1 LEU 56 -0.409 9.162 27.825 130 HD13 LEU 56 3HD1 LEU 56 0.815 10.377 28.267 131 HD21 LEU 56 1HD2 LEU 56 -0.858 11.732 30.486 132 HD22 LEU 56 2HD2 LEU 56 0.050 12.607 29.229 133 HD23 LEU 56 3HD2 LEU 56 -1.692 12.903 29.439 134 H ASP 57 H ASP 57 -1.259 14.730 26.164 135 HA ASP 57 HA ASP 57 -2.192 14.769 23.379 136 HB2 ASP 57 1HB ASP 57 -0.355 16.625 24.944 137 HB3 ASP 57 2HB ASP 57 -0.811 16.878 23.265 138 H VAL 58 H VAL 58 -1.144 14.049 21.663 139 HA VAL 58 HA VAL 58 1.731 13.309 22.014 140 HB VAL 58 HB VAL 58 -0.400 11.837 20.407 141 HG11 VAL 58 1HG1 VAL 58 1.350 10.182 19.979 142 HG12 VAL 58 2HG1 VAL 58 1.759 11.773 19.298 143 HG13 VAL 58 3HG1 VAL 58 2.535 11.223 20.802 144 HG21 VAL 58 1HG2 VAL 58 -0.015 10.025 22.046 145 HG22 VAL 58 2HG2 VAL 58 1.125 11.069 22.930 146 HG23 VAL 58 3HG2 VAL 58 -0.599 11.504 22.846 147 H SER 59 H SER 59 3.117 14.095 20.573 148 HA SER 59 HA SER 59 2.054 15.100 17.981 149 HB2 SER 59 1HB SER 59 2.162 17.033 19.469 150 HB3 SER 59 2HB SER 59 3.819 16.646 19.905 151 HG SER 59 HG SER 59 3.875 16.680 17.367 152 H VAL 60 H VAL 60 3.157 14.305 16.349 153 HA VAL 60 HA VAL 60 6.059 13.731 16.767 154 HB VAL 60 HB VAL 60 4.079 12.096 15.123 155 HG11 VAL 60 1HG1 VAL 60 5.954 10.563 14.774 156 HG12 VAL 60 2HG1 VAL 60 6.272 12.172 14.085 157 HG13 VAL 60 3HG1 VAL 60 7.035 11.692 15.621 158 HG21 VAL 60 1HG2 VAL 60 4.536 10.332 16.798 159 HG22 VAL 60 2HG2 VAL 60 5.569 11.462 17.704 160 HG23 VAL 60 3HG2 VAL 60 3.823 11.772 17.560 161 H GLY 61 H GLY 61 7.095 15.269 15.679 162 HA2 GLY 61 1HA GLY 61 7.904 16.403 13.811 163 HA3 GLY 61 2HA GLY 61 6.878 15.407 12.797 164 H SER 62 H SER 62 5.281 16.418 11.759 165 HA SER 62 HA SER 62 4.584 19.165 12.670 166 HB2 SER 62 1HB SER 62 3.877 19.562 10.378 167 HB3 SER 62 2HB SER 62 5.517 18.933 10.396 168 HG SER 62 HG SER 62 3.305 17.238 10.173 169 H THR 63 H THR 63 3.410 16.051 12.798 170 HA THR 63 HA THR 63 0.577 17.007 12.741 171 HB THR 63 HB THR 63 1.648 14.202 12.211 172 HG1 THR 63 HG1 THR 63 0.159 15.602 10.323 173 HG21 THR 63 1HG2 THR 63 -0.692 13.668 11.658 174 HG22 THR 63 2HG2 THR 63 -0.543 14.189 13.352 175 HG23 THR 63 3HG2 THR 63 -1.183 15.312 12.129 176 H SER 64 H SER 64 -0.725 16.654 14.446 177 HA SER 64 HA SER 64 0.358 15.122 16.743 178 HB2 SER 64 1HB SER 64 0.057 16.972 18.279 179 HB3 SER 64 2HB SER 64 1.159 17.454 16.999 180 HG SER 64 HG SER 64 -0.885 18.721 17.731 181 H LEU 65 H LEU 65 -1.200 14.663 18.390 182 HA LEU 65 HA LEU 65 -4.018 15.291 17.681 183 HB2 LEU 65 1HB LEU 65 -3.601 13.050 16.807 184 HB3 LEU 65 2HB LEU 65 -2.926 12.537 18.356 185 HG LEU 65 HG LEU 65 -5.172 12.864 19.401 186 HD11 LEU 65 1HD1 LEU 65 -7.113 13.161 17.927 187 HD12 LEU 65 2HD1 LEU 65 -6.016 14.560 17.859 188 HD13 LEU 65 3HD1 LEU 65 -6.025 13.371 16.535 189 HD21 LEU 65 1HD2 LEU 65 -6.180 10.868 18.344 190 HD22 LEU 65 2HD2 LEU 65 -5.078 11.046 16.957 191 HD23 LEU 65 3HD2 LEU 65 -4.427 10.658 18.568 192 H ASN 66 H ASN 66 -5.003 16.201 19.331 193 HA ASN 66 HA ASN 66 -3.712 16.060 21.981 194 HB2 ASN 66 1HB ASN 66 -5.991 17.760 20.915 195 HB3 ASN 66 2HB ASN 66 -5.368 17.854 22.557 196 HD21 ASN 66 1HD2 ASN 66 -3.779 20.293 20.068 197 HD22 ASN 66 2HD2 ASN 66 -5.416 19.749 20.215 198 H ASP 67 H ASP 67 -4.739 15.520 23.897 199 HA ASP 67 HA ASP 67 -6.068 14.185 25.224 200 HB2 ASP 67 1HB ASP 67 -8.210 15.089 23.254 201 HB3 ASP 67 2HB ASP 67 -8.526 14.314 24.800 202 H VAL 68 H VAL 68 -4.610 12.574 23.832 203 HA VAL 68 HA VAL 68 -6.133 10.725 22.186 204 HB VAL 68 HB VAL 68 -3.424 10.422 23.551 205 HG11 VAL 68 1HG1 VAL 68 -3.051 8.585 21.980 206 HG12 VAL 68 2HG1 VAL 68 -4.414 8.257 23.076 207 HG13 VAL 68 3HG1 VAL 68 -4.723 8.748 21.393 208 HG21 VAL 68 1HG2 VAL 68 -2.535 10.912 21.294 209 HG22 VAL 68 2HG2 VAL 68 -4.194 11.151 20.695 210 HG23 VAL 68 3HG2 VAL 68 -3.517 12.265 21.907 211 H ALA 69 H ALA 69 -7.457 9.181 22.836 212 HA ALA 69 HA ALA 69 -8.062 8.901 25.619 213 HB1 ALA 69 1HB ALA 69 -9.632 7.139 24.874 214 HB2 ALA 69 2HB ALA 69 -9.758 8.603 23.870 215 HB3 ALA 69 3HB ALA 69 -8.892 7.175 23.257 216 HA PRO 70 HA PRO 70 -5.368 5.844 27.146 217 HB2 PRO 70 1HB PRO 70 -7.926 4.598 28.234 218 HB3 PRO 70 2HB PRO 70 -6.401 4.915 29.072 219 HG2 PRO 70 1HG PRO 70 -8.425 6.587 29.482 220 HG3 PRO 70 2HG PRO 70 -6.811 7.257 29.229 221 HD2 PRO 70 1HD PRO 70 -9.119 7.017 27.259 222 HD3 PRO 70 2HD PRO 70 -7.978 8.400 27.519 223 H LEU 71 H LEU 71 -4.549 4.045 26.223 224 HA LEU 71 HA LEU 71 -4.381 2.122 24.968 225 HB2 LEU 71 1HB LEU 71 -7.380 1.832 25.343 226 HB3 LEU 71 2HB LEU 71 -6.233 0.563 24.900 227 HG LEU 71 HG LEU 71 -6.384 1.979 27.584 228 HD11 LEU 71 1HD1 LEU 71 -7.125 -0.219 28.390 229 HD12 LEU 71 2HD1 LEU 71 -8.238 0.444 27.171 230 HD13 LEU 71 3HD1 LEU 71 -7.091 -0.840 26.723 231 HD21 LEU 71 1HD2 LEU 71 -4.677 0.325 28.264 232 HD22 LEU 71 2HD2 LEU 71 -4.608 -0.291 26.595 233 HD23 LEU 71 3HD2 LEU 71 -4.073 1.368 26.955 234 H GLY 72 H GLY 72 -5.330 4.840 23.892 235 HA2 GLY 72 1HA GLY 72 -6.549 4.004 21.331 236 HA3 GLY 72 2HA GLY 72 -6.184 5.646 21.825 237 H SER 73 H SER 73 -5.369 5.608 19.509 238 HA SER 73 HA SER 73 -2.473 5.267 19.517 239 HB2 SER 73 1HB SER 73 -2.328 3.664 17.728 240 HB3 SER 73 2HB SER 73 -3.291 2.962 19.018 241 HG SER 73 HG SER 73 -3.978 3.716 16.487 242 H SER 74 H SER 74 -1.504 5.920 17.412 243 HA SER 74 HA SER 74 -3.240 7.333 15.533 244 HB2 SER 74 1HB SER 74 -3.038 9.022 17.293 245 HB3 SER 74 2HB SER 74 -1.288 8.866 17.280 246 HG SER 74 HG SER 74 -1.825 9.272 14.845 247 H ASP 75 H ASP 75 -2.458 6.894 13.610 248 HA ASP 75 HA ASP 75 0.340 5.989 13.387 249 HB2 ASP 75 1HB ASP 75 -2.034 5.940 11.495 250 HB3 ASP 75 2HB ASP 75 -0.414 5.494 10.977 251 H PHE 76 H PHE 76 1.951 7.008 12.355 252 HA PHE 76 HA PHE 76 1.238 9.476 10.822 253 HB2 PHE 76 1HB PHE 76 3.826 8.945 12.335 254 HB3 PHE 76 2HB PHE 76 3.416 10.407 11.453 255 HD1 PHE 76 HD1 PHE 76 2.847 8.463 14.497 256 HD2 PHE 76 HD2 PHE 76 1.801 11.999 12.339 257 HE1 PHE 76 HE1 PHE 76 1.842 9.415 16.546 258 HE2 PHE 76 HE2 PHE 76 0.798 12.955 14.387 259 HZ PHE 76 HZ PHE 76 0.817 11.661 16.491 260 H LYS 77 H LYS 77 1.206 8.732 8.755 261 HA LYS 77 HA LYS 77 3.145 6.584 8.079 262 HB2 LYS 77 1HB LYS 77 0.574 7.443 6.690 263 HB3 LYS 77 2HB LYS 77 1.595 6.101 6.194 264 HG2 LYS 77 1HG LYS 77 1.161 4.994 8.381 265 HG3 LYS 77 2HG LYS 77 0.072 6.323 8.807 266 HD2 LYS 77 1HD LYS 77 -1.328 5.809 6.832 267 HD3 LYS 77 2HD LYS 77 -0.239 4.480 6.407 268 HE2 LYS 77 1HE LYS 77 -0.752 3.367 8.553 269 HE3 LYS 77 2HE LYS 77 -1.830 4.697 8.990 270 HZ1 LYS 77 1HZ LYS 77 -3.033 2.846 8.088 271 HZ2 LYS 77 2HZ LYS 77 -3.183 4.148 7.088 272 HZ3 LYS 77 3HZ LYS 77 -2.179 2.906 6.679 273 H PHE 78 H PHE 78 4.344 6.578 6.161 274 HA PHE 78 HA PHE 78 5.240 7.358 4.187 275 HB2 PHE 78 1HB PHE 78 3.077 9.495 4.212 276 HB3 PHE 78 2HB PHE 78 3.984 8.913 2.825 277 HD1 PHE 78 HD1 PHE 78 0.876 8.875 4.108 278 HD2 PHE 78 HD2 PHE 78 3.861 6.089 2.851 279 HE1 PHE 78 HE1 PHE 78 -0.883 7.194 3.666 280 HE2 PHE 78 HE2 PHE 78 2.105 4.406 2.406 281 HZ PHE 78 HZ PHE 78 -0.268 4.960 2.814 282 H LEU 79 H LEU 79 6.122 8.340 6.774 283 HA LEU 79 HA LEU 79 6.858 11.143 6.319 284 HB2 LEU 79 1HB LEU 79 7.710 9.154 8.453 285 HB3 LEU 79 2HB LEU 79 8.141 10.867 8.435 286 HG LEU 79 HG LEU 79 5.318 9.764 8.682 287 HD11 LEU 79 1HD1 LEU 79 5.483 10.562 10.998 288 HD12 LEU 79 2HD1 LEU 79 6.694 9.304 10.648 289 HD13 LEU 79 3HD1 LEU 79 7.181 11.014 10.722 290 HD21 LEU 79 1HD2 LEU 79 4.743 12.117 9.172 291 HD22 LEU 79 2HD2 LEU 79 6.431 12.595 8.871 292 HD23 LEU 79 3HD2 LEU 79 5.436 11.954 7.541 293 HA PRO 80 HA PRO 80 10.599 10.182 4.212 294 HB2 PRO 80 1HB PRO 80 11.793 12.645 4.353 295 HB3 PRO 80 2HB PRO 80 10.415 12.332 3.290 296 HG2 PRO 80 1HG PRO 80 10.438 13.577 6.072 297 HG3 PRO 80 2HG PRO 80 9.619 14.161 4.619 298 HD2 PRO 80 1HD PRO 80 8.297 12.706 6.510 299 HD3 PRO 80 2HD PRO 80 7.906 12.548 4.751 300 HA PRO 81 HA PRO 81 13.401 9.097 7.410 301 HB2 PRO 81 1HB PRO 81 15.551 9.822 5.393 302 HB3 PRO 81 2HB PRO 81 15.365 8.337 6.335 303 HG2 PRO 81 1HG PRO 81 14.663 8.303 3.766 304 HG3 PRO 81 2HG PRO 81 13.620 7.506 4.947 305 HD2 PRO 81 1HD PRO 81 13.312 10.248 3.658 306 HD3 PRO 81 2HD PRO 81 12.056 8.980 3.951 307 H GLY 82 H GLY 82 14.628 10.097 8.996 308 HA2 GLY 82 1HA GLY 82 16.335 12.159 9.085 309 HA3 GLY 82 2HA GLY 82 14.854 13.047 8.782 310 H SER 83 H SER 83 15.654 13.947 10.948 311 HA SER 83 HA SER 83 14.931 12.217 13.243 312 HB2 SER 83 1HB SER 83 17.017 13.441 13.433 313 HB3 SER 83 2HB SER 83 16.216 14.959 13.059 314 HG SER 83 HG SER 83 14.957 14.648 14.929 315 H TYR 84 H TYR 84 13.183 12.472 14.484 316 HA TYR 84 HA TYR 84 11.435 14.828 13.914 317 HB2 TYR 84 1HB TYR 84 10.640 11.909 14.226 318 HB3 TYR 84 2HB TYR 84 9.489 13.232 14.350 319 HD1 TYR 84 HD1 TYR 84 11.942 11.617 12.068 320 HD2 TYR 84 HD2 TYR 84 8.558 14.229 12.437 321 HE1 TYR 84 HE1 TYR 84 11.664 11.607 9.611 322 HE2 TYR 84 HE2 TYR 84 8.280 14.219 9.981 323 HH TYR 84 HH TYR 84 10.390 12.259 7.900 324 H THR 85 H THR 85 10.205 15.640 15.604 325 HA THR 85 HA THR 85 11.144 14.844 18.300 326 HB THR 85 HB THR 85 9.455 17.216 17.397 327 HG1 THR 85 HG1 THR 85 11.529 18.240 18.201 328 HG21 THR 85 1HG2 THR 85 9.812 18.054 19.685 329 HG22 THR 85 2HG2 THR 85 8.925 16.511 19.705 330 HG23 THR 85 3HG2 THR 85 10.656 16.547 20.109 331 H ALA 86 H ALA 86 10.060 13.436 19.449 332 HA ALA 86 HA ALA 86 7.143 13.139 18.910 333 HB1 ALA 86 1HB ALA 86 7.374 10.876 19.880 334 HB2 ALA 86 2HB ALA 86 8.448 11.106 18.481 335 HB3 ALA 86 3HB ALA 86 9.110 11.170 20.130 336 H GLN 87 H GLN 87 6.235 14.611 20.242 337 HA GLN 87 HA GLN 87 7.074 14.638 23.086 338 HB2 GLN 87 1HB GLN 87 6.833 16.807 21.921 339 HB3 GLN 87 2HB GLN 87 5.155 16.438 21.552 340 HG2 GLN 87 1HG GLN 87 4.620 16.413 23.946 341 HG3 GLN 87 2HG GLN 87 6.325 16.791 24.318 342 HE21 GLN 87 1HE2 GLN 87 4.285 19.921 24.383 343 HE22 GLN 87 2HE2 GLN 87 4.201 18.392 25.193 344 H VAL 88 H VAL 88 6.009 13.609 24.627 345 HA VAL 88 HA VAL 88 3.063 13.294 24.254 346 HB VAL 88 HB VAL 88 4.971 11.368 25.648 347 HG11 VAL 88 1HG1 VAL 88 2.991 9.988 26.056 348 HG12 VAL 88 2HG1 VAL 88 2.888 11.562 26.880 349 HG13 VAL 88 3HG1 VAL 88 1.958 11.275 25.389 350 HG21 VAL 88 1HG2 VAL 88 4.207 9.787 23.903 351 HG22 VAL 88 2HG2 VAL 88 3.218 11.074 23.172 352 HG23 VAL 88 3HG2 VAL 88 4.992 11.211 23.182 353 H GLY 89 H GLY 89 1.957 14.469 25.648 354 HA2 GLY 89 1HA GLY 89 1.353 15.564 27.603 355 HA3 GLY 89 2HA GLY 89 2.487 14.542 28.467 356 H GLN 90 H GLN 90 4.312 15.430 29.250 357 HA GLN 90 HA GLN 90 4.818 18.274 28.497 358 HB2 GLN 90 1HB GLN 90 5.457 16.797 31.084 359 HB3 GLN 90 2HB GLN 90 5.855 18.478 30.752 360 HG2 GLN 90 1HG GLN 90 3.058 17.329 30.853 361 HG3 GLN 90 2HG GLN 90 3.864 18.258 32.148 362 HE21 GLN 90 1HE2 GLN 90 1.694 20.213 29.514 363 HE22 GLN 90 2HE2 GLN 90 1.523 18.553 29.979 364 H GLN 91 H GLN 91 6.026 15.176 28.129 365 HA GLN 91 HA GLN 91 8.838 16.181 27.977 366 HB2 GLN 91 1HB GLN 91 7.839 13.338 28.425 367 HB3 GLN 91 2HB GLN 91 9.526 13.812 28.285 368 HG2 GLN 91 1HG GLN 91 7.636 14.800 30.430 369 HG3 GLN 91 2HG GLN 91 8.800 13.456 30.609 370 HE21 GLN 91 1HE2 GLN 91 9.979 17.091 31.541 371 HE22 GLN 91 2HE2 GLN 91 8.355 16.487 31.550 372 H SER 92 H SER 92 10.203 15.215 26.326 373 HA SER 92 HA SER 92 8.781 14.069 24.005 374 HB2 SER 92 1HB SER 92 9.571 15.753 22.458 375 HB3 SER 92 2HB SER 92 8.629 16.531 23.720 376 HG SER 92 HG SER 92 11.433 16.316 23.597 377 H LEU 93 H LEU 93 10.089 12.960 22.572 378 HA LEU 93 HA LEU 93 13.001 12.922 23.185 379 HB2 LEU 93 1HB LEU 93 11.185 10.508 22.876 380 HB3 LEU 93 2HB LEU 93 12.949 10.426 22.831 381 HG LEU 93 HG LEU 93 11.360 11.436 25.214 382 HD11 LEU 93 1HD1 LEU 93 11.842 9.246 26.210 383 HD12 LEU 93 2HD1 LEU 93 10.833 9.098 24.754 384 HD13 LEU 93 3HD1 LEU 93 12.566 8.708 24.679 385 HD21 LEU 93 1HD2 LEU 93 13.516 11.110 26.378 386 HD22 LEU 93 2HD2 LEU 93 14.266 10.598 24.847 387 HD23 LEU 93 3HD2 LEU 93 13.681 12.268 25.037 388 HA PRO 94 HA PRO 94 13.365 13.186 18.873 389 HB2 PRO 94 1HB PRO 94 15.924 12.272 18.492 390 HB3 PRO 94 2HB PRO 94 15.586 13.812 19.292 391 HG2 PRO 94 1HG PRO 94 16.165 11.095 20.545 392 HG3 PRO 94 2HG PRO 94 16.880 12.657 20.947 393 HD2 PRO 94 1HD PRO 94 14.813 11.631 22.398 394 HD3 PRO 94 2HD PRO 94 14.969 13.410 22.105 395 H VAL 95 H VAL 95 13.118 11.955 17.009 396 HA VAL 95 HA VAL 95 13.302 8.990 17.337 397 HB VAL 95 HB VAL 95 11.209 10.572 15.785 398 HG11 VAL 95 1HG1 VAL 95 10.194 8.396 15.315 399 HG12 VAL 95 2HG1 VAL 95 11.822 8.536 14.614 400 HG13 VAL 95 3HG1 VAL 95 11.570 7.586 16.097 401 HG21 VAL 95 1HG2 VAL 95 9.637 9.583 17.421 402 HG22 VAL 95 2HG2 VAL 95 11.003 8.816 18.266 403 HG23 VAL 95 3HG2 VAL 95 10.862 10.590 18.231 404 H LYS 96 H LYS 96 14.640 8.037 15.972 405 HA LYS 96 HA LYS 96 15.418 9.482 13.492 406 HB2 LYS 96 1HB LYS 96 17.241 8.672 14.966 407 HB3 LYS 96 2HB LYS 96 16.638 7.027 14.817 408 HG2 LYS 96 1HG LYS 96 17.131 7.029 12.419 409 HG3 LYS 96 2HG LYS 96 17.666 8.713 12.515 410 HD2 LYS 96 1HD LYS 96 19.424 8.014 14.158 411 HD3 LYS 96 2HD LYS 96 18.927 6.332 13.925 412 HE2 LYS 96 1HE LYS 96 19.853 8.145 11.671 413 HE3 LYS 96 2HE LYS 96 20.919 7.047 12.550 414 HZ1 LYS 96 1HZ LYS 96 20.110 6.064 10.533 415 HZ2 LYS 96 2HZ LYS 96 19.537 5.222 11.831 416 HZ3 LYS 96 3HZ LYS 96 18.543 6.248 11.008 417 H LEU 97 H LEU 97 14.225 9.095 11.783 418 HA LEU 97 HA LEU 97 13.144 6.341 11.411 419 HB2 LEU 97 1HB LEU 97 12.311 8.989 10.177 420 HB3 LEU 97 2HB LEU 97 11.608 7.423 9.764 421 HG LEU 97 HG LEU 97 11.443 8.828 12.453 422 HD11 LEU 97 1HD1 LEU 97 9.050 8.944 11.915 423 HD12 LEU 97 2HD1 LEU 97 10.038 9.800 10.707 424 HD13 LEU 97 3HD1 LEU 97 9.369 8.195 10.333 425 HD21 LEU 97 1HD2 LEU 97 9.989 6.933 13.088 426 HD22 LEU 97 2HD2 LEU 97 10.319 6.153 11.523 427 HD23 LEU 97 3HD2 LEU 97 11.634 6.375 12.702 428 H ASP 98 H ASP 98 13.664 5.125 9.693 429 HA ASP 98 HA ASP 98 15.668 6.306 7.814 430 HB2 ASP 98 1HB ASP 98 15.378 3.445 8.813 431 HB3 ASP 98 2HB ASP 98 16.493 3.943 7.551 432 HA PRO 99 HA PRO 99 13.325 5.407 4.246 433 HB2 PRO 99 1HB PRO 99 15.627 3.598 3.409 434 HB3 PRO 99 2HB PRO 99 14.794 4.842 2.468 435 HG2 PRO 99 1HG PRO 99 17.172 5.436 3.493 436 HG3 PRO 99 2HG PRO 99 15.877 6.632 3.610 437 HD2 PRO 99 1HD PRO 99 16.898 4.698 5.729 438 HD3 PRO 99 2HD PRO 99 16.444 6.443 5.900 439 H ASP 100 H ASP 100 11.631 4.060 4.210 440 HA ASP 100 HA ASP 100 10.325 2.185 4.490 441 HB2 ASP 100 1HB ASP 100 12.882 0.733 3.696 442 HB3 ASP 100 2HB ASP 100 11.268 0.036 3.692 443 H SER 101 H SER 101 10.614 2.952 6.840 444 HA SER 101 HA SER 101 11.437 0.574 8.416 445 HB2 SER 101 1HB SER 101 12.685 1.867 9.996 446 HB3 SER 101 2HB SER 101 13.320 2.234 8.400 447 HG SER 101 HG SER 101 12.264 4.123 8.393 448 H TYR 102 H TYR 102 10.531 0.503 10.558 449 HA TYR 102 HA TYR 102 8.056 2.166 10.782 450 HB2 TYR 102 1HB TYR 102 8.502 -0.750 11.537 451 HB3 TYR 102 2HB TYR 102 7.085 0.177 12.011 452 HD1 TYR 102 HD1 TYR 102 8.972 -1.110 9.080 453 HD2 TYR 102 HD2 TYR 102 5.270 0.496 10.540 454 HE1 TYR 102 HE1 TYR 102 7.877 -1.690 6.942 455 HE2 TYR 102 HE2 TYR 102 4.175 -0.084 8.402 456 HH TYR 102 HH TYR 102 4.426 -0.970 6.387 457 H TYR 103 H TYR 103 7.215 2.397 12.995 458 HA TYR 103 HA TYR 103 9.160 2.204 15.166 459 HB2 TYR 103 1HB TYR 103 9.571 4.366 13.593 460 HB3 TYR 103 2HB TYR 103 8.316 5.024 14.633 461 HD1 TYR 103 HD1 TYR 103 11.748 3.716 14.493 462 HD2 TYR 103 HD2 TYR 103 8.703 5.424 16.986 463 HE1 TYR 103 HE1 TYR 103 13.436 4.178 16.239 464 HE2 TYR 103 HE2 TYR 103 10.390 5.886 18.732 465 HH TYR 103 HH TYR 103 13.812 5.049 18.249 466 H THR 104 H THR 104 8.310 2.637 17.199 467 HA THR 104 HA THR 104 5.371 3.168 17.238 468 HB THR 104 HB THR 104 6.875 1.087 18.882 469 HG1 THR 104 HG1 THR 104 6.168 -0.243 17.402 470 HG21 THR 104 1HG2 THR 104 4.661 0.551 19.820 471 HG22 THR 104 2HG2 THR 104 5.124 2.228 20.199 472 HG23 THR 104 3HG2 THR 104 3.943 1.900 18.910 473 H LEU 105 H LEU 105 4.665 4.614 18.662 474 HA LEU 105 HA LEU 105 6.625 5.576 20.703 475 HB2 LEU 105 1HB LEU 105 6.159 7.283 19.026 476 HB3 LEU 105 2HB LEU 105 4.419 7.077 19.249 477 HG LEU 105 HG LEU 105 4.678 7.916 21.600 478 HD11 LEU 105 1HD1 LEU 105 6.772 9.053 22.191 479 HD12 LEU 105 2HD1 LEU 105 7.023 7.314 21.914 480 HD13 LEU 105 3HD1 LEU 105 7.505 8.493 20.670 481 HD21 LEU 105 1HD2 LEU 105 4.987 10.271 20.913 482 HD22 LEU 105 2HD2 LEU 105 5.695 9.727 19.373 483 HD23 LEU 105 3HD2 LEU 105 3.987 9.385 19.735 484 H VAL 106 H VAL 106 6.137 4.884 22.658 485 HA VAL 106 HA VAL 106 3.279 4.314 23.275 486 HB VAL 106 HB VAL 106 5.830 3.364 24.648 487 HG11 VAL 106 1HG1 VAL 106 4.361 1.862 25.903 488 HG12 VAL 106 2HG1 VAL 106 3.998 3.574 26.226 489 HG13 VAL 106 3HG1 VAL 106 2.941 2.626 25.151 490 HG21 VAL 106 1HG2 VAL 106 5.221 1.170 23.680 491 HG22 VAL 106 2HG2 VAL 106 3.830 1.920 22.861 492 HG23 VAL 106 3HG2 VAL 106 5.487 2.383 22.407 493 H SER 107 H SER 107 2.195 5.596 24.589 494 HA SER 107 HA SER 107 3.620 7.745 25.999 495 HB2 SER 107 1HB SER 107 0.663 7.083 25.795 496 HB3 SER 107 2HB SER 107 1.325 8.518 26.561 497 HG SER 107 HG SER 107 1.675 7.731 23.881 498 H GLN 108 H GLN 108 4.163 7.773 28.060 499 HA GLN 108 HA GLN 108 3.234 5.525 29.766 500 HB2 GLN 108 1HB GLN 108 5.510 7.511 30.163 501 HB3 GLN 108 2HB GLN 108 5.113 6.195 31.258 502 HG2 GLN 108 1HG GLN 108 5.599 4.562 29.492 503 HG3 GLN 108 2HG GLN 108 6.009 5.902 28.383 504 HE21 GLN 108 1HE2 GLN 108 9.131 4.502 29.874 505 HE22 GLN 108 2HE2 GLN 108 7.811 3.850 28.961 506 HA PRO 109 HA PRO 109 0.531 7.874 32.249 507 HB2 PRO 109 1HB PRO 109 2.043 6.563 34.545 508 HB3 PRO 109 2HB PRO 109 0.297 6.704 34.302 509 HG2 PRO 109 1HG PRO 109 1.452 4.375 33.753 510 HG3 PRO 109 2HG PRO 109 0.251 5.011 32.627 511 HD2 PRO 109 1HD PRO 109 3.287 5.076 32.431 512 HD3 PRO 109 2HD PRO 109 2.069 4.727 31.140 513 H GLY 110 H GLY 110 0.653 9.930 32.969 514 HA2 GLY 110 1HA GLY 110 1.605 11.681 34.346 515 HA3 GLY 110 2HA GLY 110 3.163 10.883 34.268 516 H GLY 111 H GLY 111 2.252 10.475 31.234 517 HA2 GLY 111 1HA GLY 111 2.268 11.768 29.255 518 HA3 GLY 111 2HA GLY 111 2.562 13.216 30.200 519 H LYS 112 H LYS 112 4.169 10.104 29.409 520 HA LYS 112 HA LYS 112 6.566 11.659 28.606 521 HB2 LYS 112 1HB LYS 112 6.952 10.899 30.946 522 HB3 LYS 112 2HB LYS 112 6.664 9.237 30.447 523 HG2 LYS 112 1HG LYS 112 8.632 9.285 29.006 524 HG3 LYS 112 2HG LYS 112 8.897 10.992 29.386 525 HD2 LYS 112 1HD LYS 112 9.205 10.414 31.773 526 HD3 LYS 112 2HD LYS 112 8.943 8.705 31.390 527 HE2 LYS 112 1HE LYS 112 10.919 8.728 29.908 528 HE3 LYS 112 2HE LYS 112 11.177 10.437 30.267 529 HZ1 LYS 112 1HZ LYS 112 12.570 9.034 31.601 530 HZ2 LYS 112 2HZ LYS 112 11.506 9.842 32.569 531 HZ3 LYS 112 3HZ LYS 112 11.265 8.246 32.233 532 HA PRO 113 HA PRO 113 6.104 8.915 25.250 533 HB2 PRO 113 1HB PRO 113 8.264 9.724 23.766 534 HB3 PRO 113 2HB PRO 113 6.819 10.727 23.946 535 HG2 PRO 113 1HG PRO 113 9.443 10.866 25.489 536 HG3 PRO 113 2HG PRO 113 8.544 12.189 24.740 537 HD2 PRO 113 1HD PRO 113 8.312 11.636 27.402 538 HD3 PRO 113 2HD PRO 113 6.907 12.239 26.434 539 H GLN 114 H GLN 114 6.940 6.934 24.581 540 HA GLN 114 HA GLN 114 9.645 6.191 25.610 541 HB2 GLN 114 1HB GLN 114 7.919 4.985 26.891 542 HB3 GLN 114 2HB GLN 114 7.188 4.405 25.400 543 HG2 GLN 114 1HG GLN 114 9.227 3.142 24.878 544 HG3 GLN 114 2HG GLN 114 9.964 3.728 26.396 545 HE21 GLN 114 1HE2 GLN 114 8.134 0.307 26.559 546 HE22 GLN 114 2HE2 GLN 114 9.025 1.002 25.245 547 H LEU 115 H LEU 115 11.059 5.621 24.127 548 HA LEU 115 HA LEU 115 10.148 5.557 21.334 549 HB2 LEU 115 1HB LEU 115 12.933 5.423 22.545 550 HB3 LEU 115 2HB LEU 115 12.578 5.545 20.818 551 HG LEU 115 HG LEU 115 11.931 7.646 22.918 552 HD11 LEU 115 1HD1 LEU 115 13.682 8.936 21.783 553 HD12 LEU 115 2HD1 LEU 115 14.321 7.426 22.472 554 HD13 LEU 115 3HD1 LEU 115 14.019 7.549 20.723 555 HD21 LEU 115 1HD2 LEU 115 11.312 9.025 20.962 556 HD22 LEU 115 2HD2 LEU 115 11.614 7.638 19.888 557 HD23 LEU 115 3HD2 LEU 115 10.287 7.574 21.072 558 H VAL 116 H VAL 116 9.563 3.754 20.370 559 HA VAL 116 HA VAL 116 11.125 1.284 20.996 560 HB VAL 116 HB VAL 116 8.164 1.465 20.291 561 HG11 VAL 116 1HG1 VAL 116 8.136 -0.952 20.677 562 HG12 VAL 116 2HG1 VAL 116 9.204 -0.505 19.325 563 HG13 VAL 116 3HG1 VAL 116 9.900 -0.934 20.906 564 HG21 VAL 116 1HG2 VAL 116 7.826 0.604 22.585 565 HG22 VAL 116 2HG2 VAL 116 9.582 0.676 22.869 566 HG23 VAL 116 3HG2 VAL 116 8.660 2.175 22.605 567 H ALA 117 H ALA 117 12.393 0.866 19.326 568 HA ALA 117 HA ALA 117 11.576 1.652 16.614 569 HB1 ALA 117 1HB ALA 117 13.827 0.854 15.967 570 HB2 ALA 117 2HB ALA 117 13.900 2.015 17.313 571 HB3 ALA 117 3HB ALA 117 14.089 0.274 17.628 572 H GLU 118 H GLU 118 10.923 0.365 15.008 573 HA GLU 118 HA GLU 118 10.425 -2.480 15.728 574 HB2 GLU 118 1HB GLU 118 9.260 -0.782 13.483 575 HB3 GLU 118 2HB GLU 118 8.823 -2.448 13.830 576 HG2 GLU 118 1HG GLU 118 8.444 -0.150 15.760 577 HG3 GLU 118 2HG GLU 118 7.205 -0.749 14.660 578 HA PRO 119 HA PRO 119 13.416 -3.833 12.911 579 HB2 PRO 119 1HB PRO 119 12.576 -6.379 12.378 580 HB3 PRO 119 2HB PRO 119 13.147 -5.905 13.983 581 HG2 PRO 119 1HG PRO 119 10.284 -6.115 12.959 582 HG3 PRO 119 2HG PRO 119 10.958 -6.757 14.459 583 HD2 PRO 119 1HD PRO 119 9.613 -4.374 14.385 584 HD3 PRO 119 2HD PRO 119 10.990 -4.660 15.521 Start of MODEL 9 1 H GLN 38 1H GLN 38 1.942 0.911 -3.470 2 HA GLN 38 HA GLN 38 2.646 0.972 -1.214 3 HB2 GLN 38 1HB GLN 38 4.896 0.637 -3.240 4 HB3 GLN 38 2HB GLN 38 4.925 0.039 -1.588 5 HG2 GLN 38 1HG GLN 38 2.941 -0.807 -3.710 6 HG3 GLN 38 2HG GLN 38 4.398 -1.714 -3.212 7 HE21 GLN 38 1HE2 GLN 38 0.975 -2.404 -1.357 8 HE22 GLN 38 2HE2 GLN 38 1.165 -1.723 -2.939 9 H ALA 39 H ALA 39 4.534 1.537 0.184 10 HA ALA 39 HA ALA 39 4.804 4.415 0.238 11 HB1 ALA 39 1HB ALA 39 6.208 4.008 2.233 12 HB2 ALA 39 2HB ALA 39 4.679 3.099 2.306 13 HB3 ALA 39 3HB ALA 39 6.192 2.265 1.879 14 HA PRO 40 HA PRO 40 8.425 4.811 -2.120 15 HB2 PRO 40 1HB PRO 40 9.277 7.287 -1.324 16 HB3 PRO 40 2HB PRO 40 7.808 7.070 -2.285 17 HG2 PRO 40 1HG PRO 40 8.085 7.408 0.732 18 HG3 PRO 40 2HG PRO 40 6.990 8.252 -0.366 19 HD2 PRO 40 1HD PRO 40 6.169 6.087 1.081 20 HD3 PRO 40 2HD PRO 40 5.540 6.409 -0.585 21 H LYS 41 H LYS 41 10.732 4.777 -1.961 22 HA LYS 41 HA LYS 41 11.814 3.545 0.373 23 HB2 LYS 41 1HB LYS 41 12.771 3.314 -1.918 24 HB3 LYS 41 2HB LYS 41 13.276 4.997 -1.870 25 HG2 LYS 41 1HG LYS 41 14.789 4.521 -0.001 26 HG3 LYS 41 2HG LYS 41 14.246 2.837 0.025 27 HD2 LYS 41 1HD LYS 41 15.076 2.534 -2.287 28 HD3 LYS 41 2HD LYS 41 15.618 4.218 -2.314 29 HE2 LYS 41 1HE LYS 41 17.143 3.756 -0.422 30 HE3 LYS 41 2HE LYS 41 16.605 2.075 -0.394 31 HZ1 LYS 41 1HZ LYS 41 18.649 2.327 -1.598 32 HZ2 LYS 41 2HZ LYS 41 17.458 1.827 -2.623 33 HZ3 LYS 41 3HZ LYS 41 17.963 3.397 -2.648 34 H GLY 42 H GLY 42 12.492 4.309 2.232 35 HA2 GLY 42 1HA GLY 42 13.765 5.956 3.517 36 HA3 GLY 42 2HA GLY 42 13.214 7.205 2.413 37 H SER 43 H SER 43 10.605 5.237 2.829 38 HA SER 43 HA SER 43 9.198 7.180 4.419 39 HB2 SER 43 1HB SER 43 7.303 5.708 4.204 40 HB3 SER 43 2HB SER 43 8.154 5.745 2.667 41 HG SER 43 HG SER 43 9.184 3.828 3.280 42 H ALA 44 H ALA 44 8.009 6.719 6.404 43 HA ALA 44 HA ALA 44 8.935 4.523 8.081 44 HB1 ALA 44 1HB ALA 44 9.841 5.963 9.876 45 HB2 ALA 44 2HB ALA 44 10.796 6.094 8.380 46 HB3 ALA 44 3HB ALA 44 9.653 7.384 8.823 47 H PHE 45 H PHE 45 7.709 4.218 9.951 48 HA PHE 45 HA PHE 45 5.257 5.920 10.074 49 HB2 PHE 45 1HB PHE 45 5.418 2.887 10.286 50 HB3 PHE 45 2HB PHE 45 3.972 3.839 10.578 51 HD1 PHE 45 HD1 PHE 45 6.358 2.696 8.018 52 HD2 PHE 45 HD2 PHE 45 2.692 4.758 8.771 53 HE1 PHE 45 HE1 PHE 45 5.800 2.579 5.612 54 HE2 PHE 45 HE2 PHE 45 2.129 4.639 6.366 55 HZ PHE 45 HZ PHE 45 3.684 3.551 4.786 56 H VAL 46 H VAL 46 4.444 6.397 12.053 57 HA VAL 46 HA VAL 46 5.816 5.149 14.398 58 HB VAL 46 HB VAL 46 4.874 8.034 14.110 59 HG11 VAL 46 1HG1 VAL 46 5.828 8.364 16.338 60 HG12 VAL 46 2HG1 VAL 46 4.485 7.199 16.355 61 HG13 VAL 46 3HG1 VAL 46 6.166 6.621 16.451 62 HG21 VAL 46 1HG2 VAL 46 7.282 8.561 14.337 63 HG22 VAL 46 2HG2 VAL 46 7.656 6.822 14.383 64 HG23 VAL 46 3HG2 VAL 46 6.976 7.548 12.906 65 H ARG 47 H ARG 47 4.523 4.170 15.795 66 HA ARG 47 HA ARG 47 1.595 4.716 15.579 67 HB2 ARG 47 1HB ARG 47 2.143 2.434 14.971 68 HB3 ARG 47 2HB ARG 47 3.099 2.218 16.429 69 HG2 ARG 47 1HG ARG 47 1.162 2.227 17.817 70 HG3 ARG 47 2HG ARG 47 0.126 2.778 16.477 71 HD2 ARG 47 1HD ARG 47 1.643 0.184 16.458 72 HD3 ARG 47 2HD ARG 47 -0.030 0.356 17.039 73 HE ARG 47 HE ARG 47 0.011 1.500 14.512 74 HH11 ARG 47 1HH1 ARG 47 0.698 -1.653 15.902 75 HH12 ARG 47 2HH1 ARG 47 0.228 -2.529 14.462 76 HH21 ARG 47 1HH2 ARG 47 -0.596 0.351 12.649 77 HH22 ARG 47 2HH2 ARG 47 -0.505 -1.395 12.621 78 H ALA 48 H ALA 48 1.227 6.262 17.078 79 HA ALA 48 HA ALA 48 2.436 6.251 19.692 80 HB1 ALA 48 1HB ALA 48 0.756 7.989 20.220 81 HB2 ALA 48 2HB ALA 48 1.570 8.309 18.671 82 HB3 ALA 48 3HB ALA 48 -0.078 7.638 18.688 83 H TYR 49 H TYR 49 1.585 5.733 21.693 84 HA TYR 49 HA TYR 49 -1.001 4.302 21.768 85 HB2 TYR 49 1HB TYR 49 0.637 2.517 21.312 86 HB3 TYR 49 2HB TYR 49 1.623 3.044 22.669 87 HD1 TYR 49 HD1 TYR 49 -1.811 1.816 21.846 88 HD2 TYR 49 HD2 TYR 49 1.313 2.115 24.773 89 HE1 TYR 49 HE1 TYR 49 -3.072 0.312 23.346 90 HE2 TYR 49 HE2 TYR 49 0.050 0.609 26.273 91 HH TYR 49 HH TYR 49 -3.108 -0.718 25.315 92 H ASN 50 H ASN 50 -2.133 4.752 23.515 93 HA ASN 50 HA ASN 50 -0.795 6.301 25.658 94 HB2 ASN 50 1HB ASN 50 -2.874 7.185 24.620 95 HB3 ASN 50 2HB ASN 50 -3.744 5.763 25.178 96 HD21 ASN 50 1HD2 ASN 50 -4.221 8.585 27.560 97 HD22 ASN 50 2HD2 ASN 50 -4.448 8.376 25.857 98 H ALA 51 H ALA 51 0.199 5.038 27.075 99 HA ALA 51 HA ALA 51 -0.992 2.424 27.734 100 HB1 ALA 51 1HB ALA 51 1.146 2.016 28.909 101 HB2 ALA 51 2HB ALA 51 1.408 2.532 27.226 102 HB3 ALA 51 3HB ALA 51 1.649 3.687 28.557 103 H GLY 52 H GLY 52 -1.625 5.396 28.766 104 HA2 GLY 52 1HA GLY 52 -1.520 4.801 31.684 105 HA3 GLY 52 2HA GLY 52 -1.781 6.379 30.963 106 H ASN 53 H ASN 53 -3.559 6.278 32.650 107 HA ASN 53 HA ASN 53 -5.986 5.002 31.457 108 HB2 ASN 53 1HB ASN 53 -5.338 5.634 34.352 109 HB3 ASN 53 2HB ASN 53 -6.931 5.152 33.790 110 HD21 ASN 53 1HD2 ASN 53 -4.300 2.374 34.746 111 HD22 ASN 53 2HD2 ASN 53 -4.245 4.037 35.226 112 H SER 54 H SER 54 -4.655 7.667 30.961 113 HA SER 54 HA SER 54 -7.192 9.177 31.093 114 HB2 SER 54 1HB SER 54 -6.209 11.143 32.052 115 HB3 SER 54 2HB SER 54 -5.873 9.798 33.131 116 HG SER 54 HG SER 54 -4.197 11.256 31.501 117 H GLU 55 H GLU 55 -6.929 11.326 29.879 118 HA GLU 55 HA GLU 55 -6.047 10.507 27.226 119 HB2 GLU 55 1HB GLU 55 -7.347 13.053 28.267 120 HB3 GLU 55 2HB GLU 55 -6.966 12.780 26.573 121 HG2 GLU 55 1HG GLU 55 -8.458 10.833 26.536 122 HG3 GLU 55 2HG GLU 55 -8.824 11.075 28.243 123 H LEU 56 H LEU 56 -4.410 11.264 25.999 124 HA LEU 56 HA LEU 56 -2.502 13.111 27.372 125 HB2 LEU 56 1HB LEU 56 -1.946 10.870 25.396 126 HB3 LEU 56 2HB LEU 56 -0.732 11.990 26.022 127 HG LEU 56 HG LEU 56 -2.321 10.020 27.705 128 HD11 LEU 56 1HD1 LEU 56 -0.199 8.797 27.843 129 HD12 LEU 56 2HD1 LEU 56 -0.789 8.901 26.168 130 HD13 LEU 56 3HD1 LEU 56 0.543 9.951 26.711 131 HD21 LEU 56 1HD2 LEU 56 -0.694 10.655 29.455 132 HD22 LEU 56 2HD2 LEU 56 0.040 11.837 28.345 133 HD23 LEU 56 3HD2 LEU 56 -1.632 12.067 28.911 134 H ASP 57 H ASP 57 -1.527 14.741 26.214 135 HA ASP 57 HA ASP 57 -2.675 15.244 23.506 136 HB2 ASP 57 1HB ASP 57 -1.374 17.135 25.505 137 HB3 ASP 57 2HB ASP 57 -1.852 17.597 23.877 138 H VAL 58 H VAL 58 -1.445 14.603 21.892 139 HA VAL 58 HA VAL 58 1.510 14.931 22.170 140 HB VAL 58 HB VAL 58 1.838 12.799 21.008 141 HG11 VAL 58 1HG1 VAL 58 1.071 11.269 22.756 142 HG12 VAL 58 2HG1 VAL 58 1.753 12.767 23.434 143 HG13 VAL 58 3HG1 VAL 58 -0.010 12.534 23.387 144 HG21 VAL 58 1HG2 VAL 58 -0.087 11.309 20.562 145 HG22 VAL 58 2HG2 VAL 58 -1.199 12.582 21.122 146 HG23 VAL 58 3HG2 VAL 58 -0.227 12.833 19.652 147 H SER 59 H SER 59 2.658 14.889 20.067 148 HA SER 59 HA SER 59 1.020 15.360 17.674 149 HB2 SER 59 1HB SER 59 1.167 17.605 18.674 150 HB3 SER 59 2HB SER 59 2.919 17.476 18.739 151 HG SER 59 HG SER 59 2.692 17.028 16.399 152 H VAL 60 H VAL 60 1.911 14.295 16.061 153 HA VAL 60 HA VAL 60 4.848 13.761 16.209 154 HB VAL 60 HB VAL 60 2.648 11.840 15.334 155 HG11 VAL 60 1HG1 VAL 60 4.445 10.188 15.156 156 HG12 VAL 60 2HG1 VAL 60 4.675 11.547 14.031 157 HG13 VAL 60 3HG1 VAL 60 5.642 11.454 15.522 158 HG21 VAL 60 1HG2 VAL 60 3.323 10.556 17.338 159 HG22 VAL 60 2HG2 VAL 60 4.482 11.838 17.767 160 HG23 VAL 60 3HG2 VAL 60 2.733 12.176 17.781 161 H GLY 61 H GLY 61 5.964 14.333 14.481 162 HA2 GLY 61 1HA GLY 61 6.486 14.852 12.276 163 HA3 GLY 61 2HA GLY 61 5.041 13.992 11.778 164 H SER 62 H SER 62 3.537 15.181 10.801 165 HA SER 62 HA SER 62 3.458 18.108 11.404 166 HB2 SER 62 1HB SER 62 2.602 18.418 9.132 167 HB3 SER 62 2HB SER 62 4.164 17.615 9.108 168 HG SER 62 HG SER 62 1.954 15.992 9.278 169 H THR 63 H THR 63 1.964 15.468 12.347 170 HA THR 63 HA THR 63 -0.755 16.695 12.147 171 HB THR 63 HB THR 63 -0.052 13.729 12.239 172 HG1 THR 63 HG1 THR 63 -1.446 15.103 10.187 173 HG21 THR 63 1HG2 THR 63 -2.479 13.385 11.984 174 HG22 THR 63 2HG2 THR 63 -2.115 14.258 13.493 175 HG23 THR 63 3HG2 THR 63 -2.743 15.141 12.082 176 H SER 64 H SER 64 -1.327 17.535 14.009 177 HA SER 64 HA SER 64 -0.281 16.451 16.532 178 HB2 SER 64 1HB SER 64 -2.232 18.702 15.946 179 HB3 SER 64 2HB SER 64 -1.635 18.286 17.544 180 HG SER 64 HG SER 64 0.506 18.495 16.471 181 H LEU 65 H LEU 65 -1.524 15.620 18.224 182 HA LEU 65 HA LEU 65 -4.307 14.831 17.592 183 HB2 LEU 65 1HB LEU 65 -2.872 12.997 16.742 184 HB3 LEU 65 2HB LEU 65 -2.138 12.837 18.341 185 HG LEU 65 HG LEU 65 -4.387 12.211 19.257 186 HD11 LEU 65 1HD1 LEU 65 -6.154 11.605 17.663 187 HD12 LEU 65 2HD1 LEU 65 -5.756 13.337 17.577 188 HD13 LEU 65 3HD1 LEU 65 -5.159 12.223 16.324 189 HD21 LEU 65 1HD2 LEU 65 -4.367 9.948 18.262 190 HD22 LEU 65 2HD2 LEU 65 -3.345 10.542 16.930 191 HD23 LEU 65 3HD2 LEU 65 -2.713 10.516 18.593 192 H ASN 66 H ASN 66 -5.081 16.087 19.238 193 HA ASN 66 HA ASN 66 -3.968 15.673 21.953 194 HB2 ASN 66 1HB ASN 66 -6.062 17.603 20.904 195 HB3 ASN 66 2HB ASN 66 -5.528 17.521 22.577 196 HD21 ASN 66 1HD2 ASN 66 -3.663 20.065 20.418 197 HD22 ASN 66 2HD2 ASN 66 -5.339 19.626 20.452 198 H ASP 67 H ASP 67 -5.348 15.275 23.773 199 HA ASP 67 HA ASP 67 -6.966 14.083 24.892 200 HB2 ASP 67 1HB ASP 67 -8.640 14.637 22.408 201 HB3 ASP 67 2HB ASP 67 -9.259 14.056 23.948 202 H VAL 68 H VAL 68 -5.072 12.544 23.708 203 HA VAL 68 HA VAL 68 -6.217 10.436 22.091 204 HB VAL 68 HB VAL 68 -3.690 10.494 23.797 205 HG11 VAL 68 1HG1 VAL 68 -2.958 8.590 22.445 206 HG12 VAL 68 2HG1 VAL 68 -4.417 8.214 23.394 207 HG13 VAL 68 3HG1 VAL 68 -4.548 8.546 21.649 208 HG21 VAL 68 1HG2 VAL 68 -2.565 10.901 21.631 209 HG22 VAL 68 2HG2 VAL 68 -4.147 10.929 20.816 210 HG23 VAL 68 3HG2 VAL 68 -3.731 12.192 22.002 211 H ALA 69 H ALA 69 -7.531 8.874 22.706 212 HA ALA 69 HA ALA 69 -8.409 8.681 25.417 213 HB1 ALA 69 1HB ALA 69 -9.736 6.750 24.622 214 HB2 ALA 69 2HB ALA 69 -9.867 8.140 23.517 215 HB3 ALA 69 3HB ALA 69 -8.823 6.763 23.095 216 HA PRO 70 HA PRO 70 -5.605 6.014 27.395 217 HB2 PRO 70 1HB PRO 70 -8.136 4.675 28.427 218 HB3 PRO 70 2HB PRO 70 -6.707 5.193 29.330 219 HG2 PRO 70 1HG PRO 70 -8.874 6.726 29.435 220 HG3 PRO 70 2HG PRO 70 -7.300 7.498 29.225 221 HD2 PRO 70 1HD PRO 70 -9.430 6.888 27.138 222 HD3 PRO 70 2HD PRO 70 -8.418 8.375 27.335 223 H LEU 71 H LEU 71 -4.577 4.253 26.637 224 HA LEU 71 HA LEU 71 -4.176 2.227 25.619 225 HB2 LEU 71 1HB LEU 71 -7.140 1.685 25.991 226 HB3 LEU 71 2HB LEU 71 -5.875 0.491 25.688 227 HG LEU 71 HG LEU 71 -6.195 2.159 28.208 228 HD11 LEU 71 1HD1 LEU 71 -6.734 -0.003 29.238 229 HD12 LEU 71 2HD1 LEU 71 -7.888 0.419 27.951 230 HD13 LEU 71 3HD1 LEU 71 -6.619 -0.791 27.646 231 HD21 LEU 71 1HD2 LEU 71 -4.348 0.758 29.065 232 HD22 LEU 71 2HD2 LEU 71 -4.197 -0.021 27.470 233 HD23 LEU 71 3HD2 LEU 71 -3.827 1.711 27.655 234 H GLY 72 H GLY 72 -5.350 4.685 24.203 235 HA2 GLY 72 1HA GLY 72 -6.398 3.418 21.739 236 HA3 GLY 72 2HA GLY 72 -6.249 5.138 22.043 237 H SER 73 H SER 73 -5.412 4.538 19.667 238 HA SER 73 HA SER 73 -2.509 4.902 19.790 239 HB2 SER 73 1HB SER 73 -1.929 3.020 18.403 240 HB3 SER 73 2HB SER 73 -2.784 2.424 19.817 241 HG SER 73 HG SER 73 -3.490 2.445 17.177 242 H SER 74 H SER 74 -1.576 5.306 17.622 243 HA SER 74 HA SER 74 -3.406 5.889 15.435 244 HB2 SER 74 1HB SER 74 -3.835 7.844 16.847 245 HB3 SER 74 2HB SER 74 -2.114 8.177 16.954 246 HG SER 74 HG SER 74 -2.255 8.173 14.561 247 H ASP 75 H ASP 75 -2.368 5.581 13.601 248 HA ASP 75 HA ASP 75 0.574 5.407 13.648 249 HB2 ASP 75 1HB ASP 75 -1.499 4.752 11.520 250 HB3 ASP 75 2HB ASP 75 0.233 4.614 11.256 251 H PHE 76 H PHE 76 1.969 6.761 12.701 252 HA PHE 76 HA PHE 76 0.807 9.016 11.117 253 HB2 PHE 76 1HB PHE 76 3.250 9.038 12.933 254 HB3 PHE 76 2HB PHE 76 2.739 10.377 11.919 255 HD1 PHE 76 HD1 PHE 76 1.988 8.415 14.925 256 HD2 PHE 76 HD2 PHE 76 0.812 11.723 12.490 257 HE1 PHE 76 HE1 PHE 76 0.528 9.234 16.745 258 HE2 PHE 76 HE2 PHE 76 -0.647 12.547 14.309 259 HZ PHE 76 HZ PHE 76 -0.789 11.299 16.437 260 H LYS 77 H LYS 77 1.684 9.499 9.180 261 HA LYS 77 HA LYS 77 3.597 7.440 8.184 262 HB2 LYS 77 1HB LYS 77 1.346 7.470 7.130 263 HB3 LYS 77 2HB LYS 77 1.587 9.145 6.658 264 HG2 LYS 77 1HG LYS 77 3.441 8.504 5.197 265 HG3 LYS 77 2HG LYS 77 3.290 6.820 5.716 266 HD2 LYS 77 1HD LYS 77 0.971 6.766 4.822 267 HD3 LYS 77 2HD LYS 77 1.158 8.437 4.270 268 HE2 LYS 77 1HE LYS 77 3.046 7.744 2.824 269 HE3 LYS 77 2HE LYS 77 2.848 6.076 3.367 270 HZ1 LYS 77 1HZ LYS 77 1.767 6.457 1.276 271 HZ2 LYS 77 2HZ LYS 77 0.642 6.092 2.426 272 HZ3 LYS 77 3HZ LYS 77 0.828 7.650 1.917 273 H PHE 78 H PHE 78 5.593 8.020 7.781 274 HA PHE 78 HA PHE 78 6.088 10.842 6.932 275 HB2 PHE 78 1HB PHE 78 7.977 8.801 8.172 276 HB3 PHE 78 2HB PHE 78 8.471 10.380 7.582 277 HD1 PHE 78 HD1 PHE 78 6.453 8.623 10.127 278 HD2 PHE 78 HD2 PHE 78 8.091 12.357 8.853 279 HE1 PHE 78 HE1 PHE 78 5.908 9.611 12.326 280 HE2 PHE 78 HE2 PHE 78 7.550 13.348 11.052 281 HZ PHE 78 HZ PHE 78 6.456 11.974 12.789 282 H LEU 79 H LEU 79 6.895 11.270 4.984 283 HA LEU 79 HA LEU 79 7.265 8.996 3.140 284 HB2 LEU 79 1HB LEU 79 7.215 12.000 2.684 285 HB3 LEU 79 2HB LEU 79 7.400 10.794 1.406 286 HG LEU 79 HG LEU 79 4.966 11.080 3.202 287 HD11 LEU 79 1HD1 LEU 79 3.883 11.955 1.181 288 HD12 LEU 79 2HD1 LEU 79 5.243 12.980 1.694 289 HD13 LEU 79 3HD1 LEU 79 5.433 11.873 0.313 290 HD21 LEU 79 1HD2 LEU 79 3.959 9.482 1.607 291 HD22 LEU 79 2HD2 LEU 79 5.512 9.364 0.745 292 HD23 LEU 79 3HD2 LEU 79 5.376 8.772 2.417 293 HA PRO 80 HA PRO 80 11.509 10.933 2.910 294 HB2 PRO 80 1HB PRO 80 12.250 13.142 4.237 295 HB3 PRO 80 2HB PRO 80 11.117 13.279 2.886 296 HG2 PRO 80 1HG PRO 80 10.534 13.237 5.876 297 HG3 PRO 80 2HG PRO 80 9.904 14.344 4.653 298 HD2 PRO 80 1HD PRO 80 8.562 12.060 5.522 299 HD3 PRO 80 2HD PRO 80 8.300 12.835 3.908 300 HA PRO 81 HA PRO 81 13.176 8.983 6.554 301 HB2 PRO 81 1HB PRO 81 15.752 8.659 5.758 302 HB3 PRO 81 2HB PRO 81 14.446 7.730 5.011 303 HG2 PRO 81 1HG PRO 81 15.804 10.267 4.008 304 HG3 PRO 81 2HG PRO 81 15.456 8.785 3.113 305 HD2 PRO 81 1HD PRO 81 13.810 10.990 3.020 306 HD3 PRO 81 2HD PRO 81 13.188 9.300 2.841 307 H GLY 82 H GLY 82 14.803 9.450 8.228 308 HA2 GLY 82 1HA GLY 82 16.722 11.233 8.586 309 HA3 GLY 82 2HA GLY 82 15.394 12.364 8.412 310 H SER 83 H SER 83 14.560 13.048 10.272 311 HA SER 83 HA SER 83 13.747 11.209 12.347 312 HB2 SER 83 1HB SER 83 15.196 11.944 14.125 313 HB3 SER 83 2HB SER 83 16.193 11.355 12.804 314 HG SER 83 HG SER 83 15.537 14.034 13.362 315 H TYR 84 H TYR 84 12.711 12.303 14.169 316 HA TYR 84 HA TYR 84 12.310 15.184 14.019 317 HB2 TYR 84 1HB TYR 84 10.744 14.374 12.249 318 HB3 TYR 84 2HB TYR 84 9.944 13.356 13.438 319 HD1 TYR 84 HD1 TYR 84 10.625 16.855 12.446 320 HD2 TYR 84 HD2 TYR 84 8.364 14.236 14.985 321 HE1 TYR 84 HE1 TYR 84 9.132 18.729 13.051 322 HE2 TYR 84 HE2 TYR 84 6.871 16.111 15.590 323 HH TYR 84 HH TYR 84 6.401 18.256 15.299 324 H THR 85 H THR 85 11.788 16.025 15.931 325 HA THR 85 HA THR 85 11.490 14.143 18.178 326 HB THR 85 HB THR 85 11.760 17.180 18.151 327 HG1 THR 85 HG1 THR 85 13.906 16.641 18.845 328 HG21 THR 85 1HG2 THR 85 12.244 16.920 20.552 329 HG22 THR 85 2HG2 THR 85 10.607 16.337 20.167 330 HG23 THR 85 3HG2 THR 85 11.927 15.174 20.432 331 H ALA 86 H ALA 86 9.568 13.424 18.717 332 HA ALA 86 HA ALA 86 7.176 14.931 17.935 333 HB1 ALA 86 1HB ALA 86 5.954 12.945 18.761 334 HB2 ALA 86 2HB ALA 86 7.235 12.498 17.608 335 HB3 ALA 86 3HB ALA 86 7.485 12.259 19.353 336 H GLN 87 H GLN 87 5.613 15.760 19.268 337 HA GLN 87 HA GLN 87 6.530 16.432 21.990 338 HB2 GLN 87 1HB GLN 87 5.537 18.180 20.502 339 HB3 GLN 87 2HB GLN 87 4.021 17.292 20.495 340 HG2 GLN 87 1HG GLN 87 3.798 19.056 22.053 341 HG3 GLN 87 2HG GLN 87 3.955 17.549 22.999 342 HE21 GLN 87 1HE2 GLN 87 6.396 19.025 24.967 343 HE22 GLN 87 2HE2 GLN 87 4.912 18.140 24.850 344 H VAL 88 H VAL 88 6.014 15.317 23.714 345 HA VAL 88 HA VAL 88 3.506 13.695 23.634 346 HB VAL 88 HB VAL 88 6.129 12.912 24.974 347 HG11 VAL 88 1HG1 VAL 88 5.039 10.748 25.312 348 HG12 VAL 88 2HG1 VAL 88 4.172 12.066 26.135 349 HG13 VAL 88 3HG1 VAL 88 3.536 11.396 24.613 350 HG21 VAL 88 1HG2 VAL 88 6.266 11.193 23.201 351 HG22 VAL 88 2HG2 VAL 88 4.802 11.863 22.440 352 HG23 VAL 88 3HG2 VAL 88 6.293 12.832 22.510 353 H GLY 89 H GLY 89 2.468 15.487 24.682 354 HA2 GLY 89 1HA GLY 89 1.632 16.547 26.571 355 HA3 GLY 89 2HA GLY 89 2.440 15.331 27.543 356 H GLN 90 H GLN 90 3.934 16.081 28.900 357 HA GLN 90 HA GLN 90 5.232 18.684 28.330 358 HB2 GLN 90 1HB GLN 90 5.320 16.906 30.802 359 HB3 GLN 90 2HB GLN 90 6.098 18.476 30.658 360 HG2 GLN 90 1HG GLN 90 3.121 17.965 30.485 361 HG3 GLN 90 2HG GLN 90 4.006 18.618 31.892 362 HE21 GLN 90 1HE2 GLN 90 2.499 21.146 29.280 363 HE22 GLN 90 2HE2 GLN 90 1.949 19.536 29.609 364 H GLN 91 H GLN 91 5.771 15.501 27.617 365 HA GLN 91 HA GLN 91 8.734 15.824 27.779 366 HB2 GLN 91 1HB GLN 91 7.082 13.296 27.382 367 HB3 GLN 91 2HB GLN 91 8.836 13.366 27.481 368 HG2 GLN 91 1HG GLN 91 6.933 14.168 29.693 369 HG3 GLN 91 2HG GLN 91 7.811 12.616 29.571 370 HE21 GLN 91 1HE2 GLN 91 9.497 15.577 31.538 371 HE22 GLN 91 2HE2 GLN 91 7.803 15.334 31.273 372 H SER 92 H SER 92 9.832 14.455 25.949 373 HA SER 92 HA SER 92 8.378 14.643 23.390 374 HB2 SER 92 1HB SER 92 10.065 15.985 22.300 375 HB3 SER 92 2HB SER 92 9.458 16.865 23.693 376 HG SER 92 HG SER 92 11.792 15.294 23.605 377 H LEU 93 H LEU 93 9.515 13.605 21.614 378 HA LEU 93 HA LEU 93 11.575 11.660 22.529 379 HB2 LEU 93 1HB LEU 93 9.382 10.546 22.653 380 HB3 LEU 93 2HB LEU 93 9.054 10.983 20.973 381 HG LEU 93 HG LEU 93 11.004 9.561 20.281 382 HD11 LEU 93 1HD1 LEU 93 11.914 7.979 21.923 383 HD12 LEU 93 2HD1 LEU 93 12.252 9.664 22.378 384 HD13 LEU 93 3HD1 LEU 93 10.962 8.763 23.205 385 HD21 LEU 93 1HD2 LEU 93 9.813 7.429 20.662 386 HD22 LEU 93 2HD2 LEU 93 8.830 8.205 21.929 387 HD23 LEU 93 3HD2 LEU 93 8.676 8.730 20.234 388 HA PRO 94 HA PRO 94 13.177 13.218 18.669 389 HB2 PRO 94 1HB PRO 94 15.734 12.307 19.023 390 HB3 PRO 94 2HB PRO 94 15.131 13.745 19.856 391 HG2 PRO 94 1HG PRO 94 15.320 10.882 20.887 392 HG3 PRO 94 2HG PRO 94 15.859 12.365 21.679 393 HD2 PRO 94 1HD PRO 94 13.450 11.237 22.274 394 HD3 PRO 94 2HD PRO 94 13.674 13.032 22.261 395 H VAL 95 H VAL 95 11.774 11.670 17.583 396 HA VAL 95 HA VAL 95 12.496 8.863 17.464 397 HB VAL 95 HB VAL 95 10.547 10.500 15.787 398 HG11 VAL 95 1HG1 VAL 95 9.553 8.349 15.181 399 HG12 VAL 95 2HG1 VAL 95 11.233 8.489 14.615 400 HG13 VAL 95 3HG1 VAL 95 10.857 7.504 16.048 401 HG21 VAL 95 1HG2 VAL 95 8.843 9.487 17.268 402 HG22 VAL 95 2HG2 VAL 95 10.132 8.684 18.197 403 HG23 VAL 95 3HG2 VAL 95 10.009 10.460 18.198 404 H LYS 96 H LYS 96 14.166 8.103 16.358 405 HA LYS 96 HA LYS 96 15.124 9.418 13.925 406 HB2 LYS 96 1HB LYS 96 16.652 8.218 15.509 407 HB3 LYS 96 2HB LYS 96 15.857 6.704 15.095 408 HG2 LYS 96 1HG LYS 96 16.610 6.900 12.778 409 HG3 LYS 96 2HG LYS 96 17.337 8.476 13.127 410 HD2 LYS 96 1HD LYS 96 18.825 7.389 14.805 411 HD3 LYS 96 2HD LYS 96 18.127 5.819 14.379 412 HE2 LYS 96 1HE LYS 96 18.899 6.119 12.042 413 HE3 LYS 96 2HE LYS 96 19.612 7.674 12.480 414 HZ1 LYS 96 1HZ LYS 96 21.235 5.925 12.489 415 HZ2 LYS 96 2HZ LYS 96 21.048 6.517 14.016 416 HZ3 LYS 96 3HZ LYS 96 20.382 5.063 13.607 417 H LEU 97 H LEU 97 14.705 8.940 11.869 418 HA LEU 97 HA LEU 97 12.618 6.847 11.433 419 HB2 LEU 97 1HB LEU 97 13.151 9.374 9.831 420 HB3 LEU 97 2HB LEU 97 11.859 8.207 9.535 421 HG LEU 97 HG LEU 97 12.106 9.897 12.048 422 HD11 LEU 97 1HD1 LEU 97 10.266 11.205 11.083 423 HD12 LEU 97 2HD1 LEU 97 11.728 11.281 10.072 424 HD13 LEU 97 3HD1 LEU 97 10.366 10.242 9.589 425 HD21 LEU 97 1HD2 LEU 97 9.784 9.133 12.416 426 HD22 LEU 97 2HD2 LEU 97 9.876 8.141 10.940 427 HD23 LEU 97 3HD2 LEU 97 10.907 7.755 12.339 428 H ASP 98 H ASP 98 14.065 5.159 11.040 429 HA ASP 98 HA ASP 98 16.054 5.319 8.945 430 HB2 ASP 98 1HB ASP 98 14.719 2.983 10.359 431 HB3 ASP 98 2HB ASP 98 15.934 2.767 9.108 432 HA PRO 99 HA PRO 99 13.736 5.080 5.322 433 HB2 PRO 99 1HB PRO 99 15.768 2.960 4.509 434 HB3 PRO 99 2HB PRO 99 15.202 4.361 3.591 435 HG2 PRO 99 1HG PRO 99 17.569 4.522 4.787 436 HG3 PRO 99 2HG PRO 99 16.472 5.903 4.891 437 HD2 PRO 99 1HD PRO 99 17.052 3.750 6.960 438 HD3 PRO 99 2HD PRO 99 16.829 5.530 7.196 439 H ASP 100 H ASP 100 11.838 4.053 5.123 440 HA ASP 100 HA ASP 100 10.247 2.389 5.076 441 HB2 ASP 100 1HB ASP 100 12.630 0.732 4.153 442 HB3 ASP 100 2HB ASP 100 10.949 0.230 4.030 443 H SER 101 H SER 101 10.574 2.778 7.545 444 HA SER 101 HA SER 101 10.690 0.067 8.731 445 HB2 SER 101 1HB SER 101 12.099 0.769 10.568 446 HB3 SER 101 2HB SER 101 12.939 1.069 9.055 447 HG SER 101 HG SER 101 12.468 3.187 9.199 448 H TYR 102 H TYR 102 9.644 -0.098 10.793 449 HA TYR 102 HA TYR 102 7.602 2.048 11.161 450 HB2 TYR 102 1HB TYR 102 7.514 -0.914 11.864 451 HB3 TYR 102 2HB TYR 102 6.269 0.244 12.306 452 HD1 TYR 102 HD1 TYR 102 8.046 -1.212 9.369 453 HD2 TYR 102 HD2 TYR 102 4.529 0.760 10.835 454 HE1 TYR 102 HE1 TYR 102 6.933 -1.579 7.193 455 HE2 TYR 102 HE2 TYR 102 3.416 0.393 8.660 456 HH TYR 102 HH TYR 102 3.600 -0.444 6.617 457 H TYR 103 H TYR 103 7.030 2.749 13.217 458 HA TYR 103 HA TYR 103 8.790 1.855 15.445 459 HB2 TYR 103 1HB TYR 103 8.264 4.756 14.679 460 HB3 TYR 103 2HB TYR 103 9.049 4.237 16.163 461 HD1 TYR 103 HD1 TYR 103 9.415 4.747 12.574 462 HD2 TYR 103 HD2 TYR 103 11.286 3.196 16.111 463 HE1 TYR 103 HE1 TYR 103 11.600 4.745 11.418 464 HE2 TYR 103 HE2 TYR 103 13.470 3.195 14.955 465 HH TYR 103 HH TYR 103 14.555 3.627 13.073 466 H THR 104 H THR 104 7.944 2.071 17.515 467 HA THR 104 HA THR 104 5.080 2.927 17.621 468 HB THR 104 HB THR 104 6.435 0.718 19.230 469 HG1 THR 104 HG1 THR 104 5.703 -0.489 17.666 470 HG21 THR 104 1HG2 THR 104 4.192 0.344 20.176 471 HG22 THR 104 2HG2 THR 104 4.780 1.977 20.565 472 HG23 THR 104 3HG2 THR 104 3.574 1.749 19.279 473 H LEU 105 H LEU 105 4.466 4.312 19.171 474 HA LEU 105 HA LEU 105 6.626 5.267 21.001 475 HB2 LEU 105 1HB LEU 105 5.877 6.853 19.177 476 HB3 LEU 105 2HB LEU 105 4.282 6.873 19.935 477 HG LEU 105 HG LEU 105 6.782 7.689 21.437 478 HD11 LEU 105 1HD1 LEU 105 6.212 10.006 20.859 479 HD12 LEU 105 2HD1 LEU 105 6.625 9.052 19.416 480 HD13 LEU 105 3HD1 LEU 105 4.923 9.420 19.781 481 HD21 LEU 105 1HD2 LEU 105 5.118 8.884 22.821 482 HD22 LEU 105 2HD2 LEU 105 3.812 8.282 21.771 483 HD23 LEU 105 3HD2 LEU 105 4.762 7.141 22.753 484 H VAL 106 H VAL 106 6.254 4.355 22.919 485 HA VAL 106 HA VAL 106 3.442 4.250 23.898 486 HB VAL 106 HB VAL 106 5.943 2.816 24.893 487 HG11 VAL 106 1HG1 VAL 106 4.409 1.533 26.302 488 HG12 VAL 106 2HG1 VAL 106 4.398 3.266 26.709 489 HG13 VAL 106 3HG1 VAL 106 3.059 2.562 25.769 490 HG21 VAL 106 1HG2 VAL 106 4.835 0.805 23.969 491 HG22 VAL 106 2HG2 VAL 106 3.505 1.818 23.363 492 HG23 VAL 106 3HG2 VAL 106 5.145 2.012 22.698 493 H SER 107 H SER 107 2.779 5.653 25.361 494 HA SER 107 HA SER 107 4.736 6.796 27.274 495 HB2 SER 107 1HB SER 107 4.058 9.073 26.807 496 HB3 SER 107 2HB SER 107 4.657 8.335 25.330 497 HG SER 107 HG SER 107 2.212 7.748 25.263 498 H GLN 108 H GLN 108 3.689 8.030 29.015 499 HA GLN 108 HA GLN 108 0.823 7.685 29.405 500 HB2 GLN 108 1HB GLN 108 0.939 6.227 31.352 501 HB3 GLN 108 2HB GLN 108 1.652 5.410 29.969 502 HG2 GLN 108 1HG GLN 108 3.906 6.012 30.794 503 HG3 GLN 108 2HG GLN 108 3.144 6.755 32.229 504 HE21 GLN 108 1HE2 GLN 108 3.265 3.771 33.973 505 HE22 GLN 108 2HE2 GLN 108 3.438 5.494 33.941 506 HA PRO 109 HA PRO 109 1.194 11.140 31.970 507 HB2 PRO 109 1HB PRO 109 -0.421 9.604 34.038 508 HB3 PRO 109 2HB PRO 109 -0.699 11.228 33.393 509 HG2 PRO 109 1HG PRO 109 -2.206 9.233 32.480 510 HG3 PRO 109 2HG PRO 109 -1.568 10.413 31.331 511 HD2 PRO 109 1HD PRO 109 -0.545 7.618 31.977 512 HD3 PRO 109 2HD PRO 109 -0.732 8.419 30.366 513 H GLY 110 H GLY 110 2.978 11.681 33.075 514 HA2 GLY 110 1HA GLY 110 4.284 11.837 35.042 515 HA3 GLY 110 2HA GLY 110 3.568 10.350 35.636 516 H GLY 111 H GLY 111 4.356 9.747 32.483 517 HA2 GLY 111 1HA GLY 111 7.064 8.695 33.231 518 HA3 GLY 111 2HA GLY 111 5.931 7.801 32.237 519 H LYS 112 H LYS 112 7.899 7.811 30.803 520 HA LYS 112 HA LYS 112 7.838 10.249 29.074 521 HB2 LYS 112 1HB LYS 112 10.228 8.491 29.756 522 HB3 LYS 112 2HB LYS 112 10.233 9.732 28.510 523 HG2 LYS 112 1HG LYS 112 9.734 11.444 30.246 524 HG3 LYS 112 2HG LYS 112 9.817 10.178 31.479 525 HD2 LYS 112 1HD LYS 112 12.154 9.690 30.821 526 HD3 LYS 112 2HD LYS 112 12.071 10.963 29.594 527 HE2 LYS 112 1HE LYS 112 11.646 12.640 31.362 528 HE3 LYS 112 2HE LYS 112 11.726 11.373 32.588 529 HZ1 LYS 112 1HZ LYS 112 13.796 12.539 32.391 530 HZ2 LYS 112 2HZ LYS 112 13.999 10.966 31.938 531 HZ3 LYS 112 3HZ LYS 112 13.926 12.151 30.793 532 HA PRO 113 HA PRO 113 6.791 7.626 25.797 533 HB2 PRO 113 1HB PRO 113 7.949 8.921 23.651 534 HB3 PRO 113 2HB PRO 113 6.521 9.541 24.488 535 HG2 PRO 113 1HG PRO 113 9.447 10.294 24.888 536 HG3 PRO 113 2HG PRO 113 8.058 11.367 24.701 537 HD2 PRO 113 1HD PRO 113 9.035 10.785 27.163 538 HD3 PRO 113 2HD PRO 113 7.254 10.960 26.889 539 H GLN 114 H GLN 114 7.576 5.766 24.940 540 HA GLN 114 HA GLN 114 10.545 5.460 24.803 541 HB2 GLN 114 1HB GLN 114 9.567 3.973 26.469 542 HB3 GLN 114 2HB GLN 114 8.368 3.397 25.320 543 HG2 GLN 114 1HG GLN 114 10.027 1.720 25.523 544 HG3 GLN 114 2HG GLN 114 10.255 2.489 23.926 545 HE21 GLN 114 1HE2 GLN 114 13.601 3.117 24.508 546 HE22 GLN 114 2HE2 GLN 114 12.314 2.752 23.410 547 H LEU 115 H LEU 115 11.436 5.221 22.893 548 HA LEU 115 HA LEU 115 9.730 4.746 20.544 549 HB2 LEU 115 1HB LEU 115 11.516 6.458 20.490 550 HB3 LEU 115 2HB LEU 115 12.727 5.202 20.777 551 HG LEU 115 HG LEU 115 12.094 4.153 18.595 552 HD11 LEU 115 1HD1 LEU 115 10.720 5.458 17.033 553 HD12 LEU 115 2HD1 LEU 115 9.798 4.980 18.478 554 HD13 LEU 115 3HD1 LEU 115 10.394 6.650 18.315 555 HD21 LEU 115 1HD2 LEU 115 13.185 5.893 17.219 556 HD22 LEU 115 2HD2 LEU 115 12.895 7.092 18.503 557 HD23 LEU 115 3HD2 LEU 115 13.995 5.722 18.796 558 H VAL 116 H VAL 116 9.295 2.809 19.781 559 HA VAL 116 HA VAL 116 11.288 0.634 20.252 560 HB VAL 116 HB VAL 116 8.315 0.428 19.609 561 HG11 VAL 116 1HG1 VAL 116 8.595 -1.960 20.055 562 HG12 VAL 116 2HG1 VAL 116 9.575 -1.421 18.671 563 HG13 VAL 116 3HG1 VAL 116 10.348 -1.719 20.247 564 HG21 VAL 116 1HG2 VAL 116 8.128 -0.404 21.930 565 HG22 VAL 116 2HG2 VAL 116 9.865 -0.108 22.174 566 HG23 VAL 116 3HG2 VAL 116 8.760 1.258 21.893 567 H ALA 117 H ALA 117 12.492 0.111 18.575 568 HA ALA 117 HA ALA 117 11.754 0.996 15.892 569 HB1 ALA 117 1HB ALA 117 13.932 0.023 15.237 570 HB2 ALA 117 2HB ALA 117 14.090 1.114 16.635 571 HB3 ALA 117 3HB ALA 117 14.115 -0.649 16.875 572 H GLU 118 H GLU 118 10.907 -0.130 14.277 573 HA GLU 118 HA GLU 118 10.810 -3.091 14.505 574 HB2 GLU 118 1HB GLU 118 8.378 -1.352 13.924 575 HB3 GLU 118 2HB GLU 118 8.418 -3.109 13.884 576 HG2 GLU 118 1HG GLU 118 8.917 -3.164 16.287 577 HG3 GLU 118 2HG GLU 118 8.910 -1.404 16.335 578 HA PRO 119 HA PRO 119 12.199 -1.525 10.382 579 HB2 PRO 119 1HB PRO 119 13.603 -4.207 10.709 580 HB3 PRO 119 2HB PRO 119 14.213 -2.718 9.977 581 HG2 PRO 119 1HG PRO 119 15.011 -3.320 12.440 582 HG3 PRO 119 2HG PRO 119 14.547 -1.653 12.083 583 HD2 PRO 119 1HD PRO 119 12.945 -3.833 13.476 584 HD3 PRO 119 2HD PRO 119 13.095 -2.081 13.900 Start of MODEL 10 1 H GLN 38 1H GLN 38 -1.418 -0.038 -1.788 2 HA GLN 38 HA GLN 38 -0.033 -0.789 -0.024 3 HB2 GLN 38 1HB GLN 38 1.443 0.599 -2.297 4 HB3 GLN 38 2HB GLN 38 2.125 -0.642 -1.255 5 HG2 GLN 38 1HG GLN 38 -0.253 -1.022 -3.085 6 HG3 GLN 38 2HG GLN 38 1.428 -1.523 -3.428 7 HE21 GLN 38 1HE2 GLN 38 -1.003 -4.061 -1.619 8 HE22 GLN 38 2HE2 GLN 38 -1.474 -2.715 -2.601 9 H ALA 39 H ALA 39 2.072 -0.341 1.077 10 HA ALA 39 HA ALA 39 1.805 2.105 2.598 11 HB1 ALA 39 1HB ALA 39 3.836 1.316 3.769 12 HB2 ALA 39 2HB ALA 39 2.611 0.031 3.635 13 HB3 ALA 39 3HB ALA 39 4.027 0.030 2.556 14 HA PRO 40 HA PRO 40 4.315 4.734 0.214 15 HB2 PRO 40 1HB PRO 40 5.050 6.579 2.112 16 HB3 PRO 40 2HB PRO 40 3.401 6.477 1.483 17 HG2 PRO 40 1HG PRO 40 4.545 5.276 4.039 18 HG3 PRO 40 2HG PRO 40 3.062 6.210 3.843 19 HD2 PRO 40 1HD PRO 40 3.008 3.491 3.915 20 HD3 PRO 40 2HD PRO 40 1.885 4.423 2.847 21 H LYS 41 H LYS 41 5.867 2.881 0.026 22 HA LYS 41 HA LYS 41 8.074 2.521 1.772 23 HB2 LYS 41 1HB LYS 41 7.451 0.951 -0.056 24 HB3 LYS 41 2HB LYS 41 7.968 2.138 -1.247 25 HG2 LYS 41 1HG LYS 41 10.273 1.994 -0.434 26 HG3 LYS 41 2HG LYS 41 9.774 0.858 0.827 27 HD2 LYS 41 1HD LYS 41 9.026 -0.739 -0.909 28 HD3 LYS 41 2HD LYS 41 9.518 0.399 -2.171 29 HE2 LYS 41 1HE LYS 41 11.855 0.280 -1.361 30 HE3 LYS 41 2HE LYS 41 11.363 -0.856 -0.103 31 HZ1 LYS 41 1HZ LYS 41 12.275 -1.979 -2.000 32 HZ2 LYS 41 2HZ LYS 41 10.684 -2.381 -1.827 33 HZ3 LYS 41 3HZ LYS 41 11.145 -1.319 -3.004 34 H GLY 42 H GLY 42 9.891 3.577 2.155 35 HA2 GLY 42 1HA GLY 42 11.756 4.963 1.339 36 HA3 GLY 42 2HA GLY 42 10.618 5.832 0.324 37 H SER 43 H SER 43 8.627 5.675 2.671 38 HA SER 43 HA SER 43 9.666 8.074 4.076 39 HB2 SER 43 1HB SER 43 7.397 8.492 4.721 40 HB3 SER 43 2HB SER 43 7.397 8.097 3.008 41 HG SER 43 HG SER 43 6.888 5.953 3.610 42 H ALA 44 H ALA 44 9.108 8.283 6.416 43 HA ALA 44 HA ALA 44 9.894 5.791 7.797 44 HB1 ALA 44 1HB ALA 44 10.222 7.264 9.758 45 HB2 ALA 44 2HB ALA 44 11.120 7.849 8.337 46 HB3 ALA 44 3HB ALA 44 9.600 8.640 8.822 47 H PHE 45 H PHE 45 8.796 4.933 9.576 48 HA PHE 45 HA PHE 45 5.905 5.695 9.672 49 HB2 PHE 45 1HB PHE 45 7.151 2.937 10.020 50 HB3 PHE 45 2HB PHE 45 5.447 3.309 10.224 51 HD1 PHE 45 HD1 PHE 45 8.176 2.911 7.809 52 HD2 PHE 45 HD2 PHE 45 4.017 3.751 8.320 53 HE1 PHE 45 HE1 PHE 45 7.803 2.517 5.398 54 HE2 PHE 45 HE2 PHE 45 3.639 3.356 5.909 55 HZ PHE 45 HZ PHE 45 5.534 2.739 4.447 56 H VAL 46 H VAL 46 5.046 6.184 11.576 57 HA VAL 46 HA VAL 46 6.576 5.429 14.027 58 HB VAL 46 HB VAL 46 5.229 8.102 13.453 59 HG11 VAL 46 1HG1 VAL 46 6.040 8.775 15.661 60 HG12 VAL 46 2HG1 VAL 46 4.879 7.433 15.758 61 HG13 VAL 46 3HG1 VAL 46 6.621 7.119 15.952 62 HG21 VAL 46 1HG2 VAL 46 7.527 8.997 13.685 63 HG22 VAL 46 2HG2 VAL 46 8.145 7.344 13.911 64 HG23 VAL 46 3HG2 VAL 46 7.427 7.821 12.355 65 H ARG 47 H ARG 47 5.413 4.686 15.711 66 HA ARG 47 HA ARG 47 2.438 4.853 15.492 67 HB2 ARG 47 1HB ARG 47 3.037 2.599 14.891 68 HB3 ARG 47 2HB ARG 47 4.145 2.462 16.248 69 HG2 ARG 47 1HG ARG 47 2.344 2.403 17.825 70 HG3 ARG 47 2HG ARG 47 1.158 2.821 16.565 71 HD2 ARG 47 1HD ARG 47 2.869 0.363 16.430 72 HD3 ARG 47 2HD ARG 47 1.293 0.404 17.252 73 HE ARG 47 HE ARG 47 0.835 1.462 14.736 74 HH11 ARG 47 1HH1 ARG 47 2.079 -1.561 16.028 75 HH12 ARG 47 2HH1 ARG 47 1.504 -2.517 14.682 76 HH21 ARG 47 1HH2 ARG 47 0.092 0.208 12.995 77 HH22 ARG 47 2HH2 ARG 47 0.377 -1.518 12.966 78 H ALA 48 H ALA 48 2.216 6.501 16.959 79 HA ALA 48 HA ALA 48 3.479 6.408 19.566 80 HB1 ALA 48 1HB ALA 48 1.986 8.311 20.090 81 HB2 ALA 48 2HB ALA 48 2.828 8.540 18.539 82 HB3 ALA 48 3HB ALA 48 1.120 8.043 18.559 83 H TYR 49 H TYR 49 2.507 6.095 21.589 84 HA TYR 49 HA TYR 49 -0.107 4.681 21.561 85 HB2 TYR 49 1HB TYR 49 1.652 2.937 21.492 86 HB3 TYR 49 2HB TYR 49 2.410 3.635 22.917 87 HD1 TYR 49 HD1 TYR 49 -0.653 1.943 21.674 88 HD2 TYR 49 HD2 TYR 49 1.644 3.136 25.098 89 HE1 TYR 49 HE1 TYR 49 -2.076 0.534 23.121 90 HE2 TYR 49 HE2 TYR 49 0.220 1.726 26.545 91 HH TYR 49 HH TYR 49 -2.533 -0.081 25.213 92 H ASN 50 H ASN 50 -1.421 5.162 23.190 93 HA ASN 50 HA ASN 50 -0.423 7.147 25.151 94 HB2 ASN 50 1HB ASN 50 -2.489 7.633 23.859 95 HB3 ASN 50 2HB ASN 50 -3.253 6.213 24.562 96 HD21 ASN 50 1HD2 ASN 50 -4.217 9.271 26.455 97 HD22 ASN 50 2HD2 ASN 50 -4.275 8.799 24.789 98 H ALA 51 H ALA 51 0.702 6.043 26.658 99 HA ALA 51 HA ALA 51 -0.555 3.664 27.882 100 HB1 ALA 51 1HB ALA 51 1.616 3.402 29.036 101 HB2 ALA 51 2HB ALA 51 1.820 3.527 27.273 102 HB3 ALA 51 3HB ALA 51 2.177 4.926 28.312 103 H GLY 52 H GLY 52 -1.191 6.719 28.252 104 HA2 GLY 52 1HA GLY 52 -0.881 6.902 31.197 105 HA3 GLY 52 2HA GLY 52 -1.412 8.186 30.128 106 H ASN 53 H ASN 53 -3.072 8.377 31.885 107 HA ASN 53 HA ASN 53 -5.326 6.475 31.393 108 HB2 ASN 53 1HB ASN 53 -4.597 8.022 33.900 109 HB3 ASN 53 2HB ASN 53 -6.125 7.178 33.678 110 HD21 ASN 53 1HD2 ASN 53 -2.992 5.205 35.060 111 HD22 ASN 53 2HD2 ASN 53 -3.169 6.928 35.025 112 H SER 54 H SER 54 -4.535 8.968 29.955 113 HA SER 54 HA SER 54 -7.227 10.115 29.892 114 HB2 SER 54 1HB SER 54 -6.595 12.384 30.377 115 HB3 SER 54 2HB SER 54 -6.103 11.377 31.730 116 HG SER 54 HG SER 54 -4.575 12.578 29.737 117 H GLU 55 H GLU 55 -7.460 11.741 28.161 118 HA GLU 55 HA GLU 55 -6.254 10.778 25.750 119 HB2 GLU 55 1HB GLU 55 -7.845 13.305 26.342 120 HB3 GLU 55 2HB GLU 55 -7.357 12.820 24.726 121 HG2 GLU 55 1HG GLU 55 -9.496 12.013 24.814 122 HG3 GLU 55 2HG GLU 55 -8.579 10.586 25.291 123 H LEU 56 H LEU 56 -4.612 11.473 24.514 124 HA LEU 56 HA LEU 56 -2.997 13.733 25.620 125 HB2 LEU 56 1HB LEU 56 -2.036 11.139 24.360 126 HB3 LEU 56 2HB LEU 56 -0.992 12.500 24.778 127 HG LEU 56 HG LEU 56 -2.603 10.841 26.749 128 HD11 LEU 56 1HD1 LEU 56 -0.405 9.991 27.435 129 HD12 LEU 56 2HD1 LEU 56 -0.761 9.599 25.736 130 HD13 LEU 56 3HD1 LEU 56 0.363 10.923 26.127 131 HD21 LEU 56 1HD2 LEU 56 -1.315 12.104 28.441 132 HD22 LEU 56 2HD2 LEU 56 -0.560 13.064 27.147 133 HD23 LEU 56 3HD2 LEU 56 -2.309 13.195 27.447 134 H ASP 57 H ASP 57 -1.926 15.077 24.176 135 HA ASP 57 HA ASP 57 -2.873 14.888 21.361 136 HB2 ASP 57 1HB ASP 57 -1.587 17.179 22.898 137 HB3 ASP 57 2HB ASP 57 -2.001 17.243 21.193 138 H VAL 58 H VAL 58 -1.587 14.149 19.836 139 HA VAL 58 HA VAL 58 1.322 13.926 20.496 140 HB VAL 58 HB VAL 58 -0.412 12.048 18.835 141 HG11 VAL 58 1HG1 VAL 58 1.562 10.606 18.776 142 HG12 VAL 58 2HG1 VAL 58 1.855 12.170 17.980 143 HG13 VAL 58 3HG1 VAL 58 2.506 11.864 19.609 144 HG21 VAL 58 1HG2 VAL 58 -0.011 10.455 20.688 145 HG22 VAL 58 2HG2 VAL 58 0.877 11.715 21.576 146 HG23 VAL 58 3HG2 VAL 58 -0.863 11.909 21.261 147 H SER 59 H SER 59 2.717 14.852 19.164 148 HA SER 59 HA SER 59 1.893 15.304 16.337 149 HB2 SER 59 1HB SER 59 1.566 17.418 17.528 150 HB3 SER 59 2HB SER 59 3.199 17.339 18.176 151 HG SER 59 HG SER 59 2.680 17.235 15.424 152 H VAL 60 H VAL 60 3.201 13.986 15.264 153 HA VAL 60 HA VAL 60 6.080 13.931 16.053 154 HB VAL 60 HB VAL 60 4.478 11.940 14.388 155 HG11 VAL 60 1HG1 VAL 60 6.461 10.519 14.561 156 HG12 VAL 60 2HG1 VAL 60 6.802 12.037 13.699 157 HG13 VAL 60 3HG1 VAL 60 7.331 11.832 15.387 158 HG21 VAL 60 1HG2 VAL 60 4.748 10.463 16.355 159 HG22 VAL 60 2HG2 VAL 60 5.560 11.781 17.231 160 HG23 VAL 60 3HG2 VAL 60 3.846 11.936 16.776 161 H GLY 61 H GLY 61 7.340 15.184 14.873 162 HA2 GLY 61 1HA GLY 61 8.334 16.145 13.006 163 HA3 GLY 61 2HA GLY 61 7.461 15.000 12.006 164 H SER 62 H SER 62 5.926 15.780 10.699 165 HA SER 62 HA SER 62 4.992 18.568 11.163 166 HB2 SER 62 1HB SER 62 4.362 18.563 8.818 167 HB3 SER 62 2HB SER 62 6.032 18.044 8.980 168 HG SER 62 HG SER 62 3.814 16.687 8.154 169 H THR 63 H THR 63 4.025 15.471 11.818 170 HA THR 63 HA THR 63 1.205 15.806 11.038 171 HB THR 63 HB THR 63 0.898 13.530 11.906 172 HG1 THR 63 HG1 THR 63 3.655 13.421 12.549 173 HG21 THR 63 1HG2 THR 63 2.463 12.334 10.422 174 HG22 THR 63 2HG2 THR 63 1.820 13.792 9.628 175 HG23 THR 63 3HG2 THR 63 3.467 13.795 10.298 176 H SER 64 H SER 64 -0.504 15.277 12.656 177 HA SER 64 HA SER 64 0.055 15.800 15.455 178 HB2 SER 64 1HB SER 64 0.223 18.092 14.619 179 HB3 SER 64 2HB SER 64 -1.328 17.944 13.810 180 HG SER 64 HG SER 64 -1.486 17.217 16.387 181 H LEU 65 H LEU 65 -1.353 14.657 16.568 182 HA LEU 65 HA LEU 65 -4.175 14.606 15.614 183 HB2 LEU 65 1HB LEU 65 -3.183 12.474 14.955 184 HB3 LEU 65 2HB LEU 65 -2.558 12.222 16.587 185 HG LEU 65 HG LEU 65 -4.913 12.091 17.421 186 HD11 LEU 65 1HD1 LEU 65 -6.715 11.825 15.775 187 HD12 LEU 65 2HD1 LEU 65 -5.963 13.436 15.674 188 HD13 LEU 65 3HD1 LEU 65 -5.570 12.192 14.463 189 HD21 LEU 65 1HD2 LEU 65 -5.332 9.850 16.466 190 HD22 LEU 65 2HD2 LEU 65 -4.168 10.186 15.163 191 HD23 LEU 65 3HD2 LEU 65 -3.607 10.070 16.848 192 H ASN 66 H ASN 66 -5.471 15.392 17.106 193 HA ASN 66 HA ASN 66 -4.451 15.567 19.885 194 HB2 ASN 66 1HB ASN 66 -6.771 16.958 18.505 195 HB3 ASN 66 2HB ASN 66 -6.312 17.200 20.184 196 HD21 ASN 66 1HD2 ASN 66 -4.775 19.682 17.709 197 HD22 ASN 66 2HD2 ASN 66 -6.353 18.969 17.752 198 H ASP 67 H ASP 67 -5.747 15.086 21.699 199 HA ASP 67 HA ASP 67 -7.269 13.870 22.922 200 HB2 ASP 67 1HB ASP 67 -8.927 14.074 20.377 201 HB3 ASP 67 2HB ASP 67 -9.535 13.510 21.927 202 H VAL 68 H VAL 68 -5.228 12.395 21.897 203 HA VAL 68 HA VAL 68 -6.223 9.978 20.637 204 HB VAL 68 HB VAL 68 -3.655 10.516 22.189 205 HG11 VAL 68 1HG1 VAL 68 -2.798 8.495 21.108 206 HG12 VAL 68 2HG1 VAL 68 -4.182 8.147 22.170 207 HG13 VAL 68 3HG1 VAL 68 -4.404 8.191 20.405 208 HG21 VAL 68 1HG2 VAL 68 -2.646 10.676 19.935 209 HG22 VAL 68 2HG2 VAL 68 -4.253 10.443 19.203 210 HG23 VAL 68 3HG2 VAL 68 -3.914 11.905 20.163 211 H ALA 69 H ALA 69 -7.261 8.330 21.534 212 HA ALA 69 HA ALA 69 -8.208 8.638 24.216 213 HB1 ALA 69 1HB ALA 69 -9.334 6.470 23.834 214 HB2 ALA 69 2HB ALA 69 -9.554 7.576 22.458 215 HB3 ALA 69 3HB ALA 69 -8.381 6.245 22.347 216 HA PRO 70 HA PRO 70 -5.277 6.678 26.759 217 HB2 PRO 70 1HB PRO 70 -7.715 5.301 27.955 218 HB3 PRO 70 2HB PRO 70 -6.389 6.129 28.783 219 HG2 PRO 70 1HG PRO 70 -8.701 7.414 28.524 220 HG3 PRO 70 2HG PRO 70 -7.202 8.297 28.215 221 HD2 PRO 70 1HD PRO 70 -9.151 7.074 26.222 222 HD3 PRO 70 2HD PRO 70 -8.308 8.675 26.160 223 H LEU 71 H LEU 71 -4.055 4.908 26.415 224 HA LEU 71 HA LEU 71 -3.416 2.775 25.826 225 HB2 LEU 71 1HB LEU 71 -6.342 2.046 26.201 226 HB3 LEU 71 2HB LEU 71 -4.976 0.926 26.150 227 HG LEU 71 HG LEU 71 -5.522 2.987 28.316 228 HD11 LEU 71 1HD1 LEU 71 -5.929 1.010 29.709 229 HD12 LEU 71 2HD1 LEU 71 -7.065 1.094 28.340 230 HD13 LEU 71 3HD1 LEU 71 -5.694 -0.039 28.291 231 HD21 LEU 71 1HD2 LEU 71 -3.606 1.922 29.455 232 HD22 LEU 71 2HD2 LEU 71 -3.335 0.886 28.034 233 HD23 LEU 71 3HD2 LEU 71 -3.107 2.647 27.909 234 H GLY 72 H GLY 72 -4.726 4.791 23.910 235 HA2 GLY 72 1HA GLY 72 -5.357 2.915 21.684 236 HA3 GLY 72 2HA GLY 72 -5.599 4.651 21.667 237 H SER 73 H SER 73 -4.480 4.277 19.521 238 HA SER 73 HA SER 73 -1.609 4.859 19.856 239 HB2 SER 73 1HB SER 73 -0.872 3.143 18.320 240 HB3 SER 73 2HB SER 73 -1.739 2.385 19.647 241 HG SER 73 HG SER 73 -2.496 2.789 17.002 242 H SER 74 H SER 74 -0.590 5.562 17.834 243 HA SER 74 HA SER 74 -2.525 6.499 15.784 244 HB2 SER 74 1HB SER 74 -2.325 8.340 17.388 245 HB3 SER 74 2HB SER 74 -0.572 8.283 17.276 246 HG SER 74 HG SER 74 -1.294 8.441 14.854 247 H ASP 75 H ASP 75 -1.778 5.490 14.042 248 HA ASP 75 HA ASP 75 1.095 5.211 13.554 249 HB2 ASP 75 1HB ASP 75 -1.381 4.502 11.942 250 HB3 ASP 75 2HB ASP 75 0.246 4.301 11.307 251 H PHE 76 H PHE 76 2.364 6.349 12.211 252 HA PHE 76 HA PHE 76 1.077 8.650 10.795 253 HB2 PHE 76 1HB PHE 76 3.820 8.546 12.117 254 HB3 PHE 76 2HB PHE 76 3.194 9.900 11.190 255 HD1 PHE 76 HD1 PHE 76 3.263 8.253 14.391 256 HD2 PHE 76 HD2 PHE 76 1.170 11.138 12.035 257 HE1 PHE 76 HE1 PHE 76 2.238 9.180 16.441 258 HE2 PHE 76 HE2 PHE 76 0.145 12.069 14.083 259 HZ PHE 76 HZ PHE 76 0.677 11.087 16.286 260 H LYS 77 H LYS 77 0.939 7.871 8.764 261 HA LYS 77 HA LYS 77 3.395 6.752 7.526 262 HB2 LYS 77 1HB LYS 77 0.535 6.961 6.503 263 HB3 LYS 77 2HB LYS 77 1.872 6.285 5.584 264 HG2 LYS 77 1HG LYS 77 2.165 4.529 7.301 265 HG3 LYS 77 2HG LYS 77 0.803 5.205 8.207 266 HD2 LYS 77 1HD LYS 77 -0.684 4.806 6.266 267 HD3 LYS 77 2HD LYS 77 0.678 4.119 5.370 268 HE2 LYS 77 1HE LYS 77 0.912 2.333 7.037 269 HE3 LYS 77 2HE LYS 77 -0.389 3.034 8.001 270 HZ1 LYS 77 1HZ LYS 77 -1.167 1.230 6.649 271 HZ2 LYS 77 2HZ LYS 77 -1.885 2.635 6.167 272 HZ3 LYS 77 3HZ LYS 77 -0.669 1.978 5.267 273 H PHE 78 H PHE 78 3.782 7.447 5.207 274 HA PHE 78 HA PHE 78 4.587 9.124 3.851 275 HB2 PHE 78 1HB PHE 78 2.074 10.583 4.764 276 HB3 PHE 78 2HB PHE 78 3.043 10.989 3.356 277 HD1 PHE 78 HD1 PHE 78 0.558 8.717 4.745 278 HD2 PHE 78 HD2 PHE 78 3.055 9.535 1.376 279 HE1 PHE 78 HE1 PHE 78 -0.796 7.172 3.369 280 HE2 PHE 78 HE2 PHE 78 1.702 7.995 -0.005 281 HZ PHE 78 HZ PHE 78 -0.223 6.812 0.994 282 H LEU 79 H LEU 79 5.723 9.065 6.388 283 HA LEU 79 HA LEU 79 5.919 11.942 7.146 284 HB2 LEU 79 1HB LEU 79 5.236 10.402 8.945 285 HB3 LEU 79 2HB LEU 79 6.694 9.439 8.688 286 HG LEU 79 HG LEU 79 8.058 11.448 9.351 287 HD11 LEU 79 1HD1 LEU 79 6.901 13.277 10.511 288 HD12 LEU 79 2HD1 LEU 79 6.407 13.163 8.807 289 HD13 LEU 79 3HD1 LEU 79 5.331 12.551 10.087 290 HD21 LEU 79 1HD2 LEU 79 7.554 11.197 11.756 291 HD22 LEU 79 2HD2 LEU 79 5.992 10.443 11.352 292 HD23 LEU 79 3HD2 LEU 79 7.516 9.624 10.926 293 HA PRO 80 HA PRO 80 9.730 11.925 4.923 294 HB2 PRO 80 1HB PRO 80 10.030 14.424 6.642 295 HB3 PRO 80 2HB PRO 80 10.388 14.212 4.923 296 HG2 PRO 80 1HG PRO 80 8.117 15.422 5.586 297 HG3 PRO 80 2HG PRO 80 8.086 14.210 4.302 298 HD2 PRO 80 1HD PRO 80 7.252 13.944 7.214 299 HD3 PRO 80 2HD PRO 80 6.450 13.285 5.731 300 HA PRO 81 HA PRO 81 12.081 9.975 8.195 301 HB2 PRO 81 1HB PRO 81 14.130 9.995 5.960 302 HB3 PRO 81 2HB PRO 81 13.632 8.658 7.002 303 HG2 PRO 81 1HG PRO 81 12.710 8.729 4.503 304 HG3 PRO 81 2HG PRO 81 11.607 8.291 5.810 305 HD2 PRO 81 1HD PRO 81 11.939 10.976 4.403 306 HD3 PRO 81 2HD PRO 81 10.416 10.104 4.847 307 H GLY 82 H GLY 82 13.836 10.606 9.505 308 HA2 GLY 82 1HA GLY 82 15.965 12.217 9.181 309 HA3 GLY 82 2HA GLY 82 14.689 13.421 9.155 310 H SER 83 H SER 83 16.530 13.649 11.100 311 HA SER 83 HA SER 83 15.531 12.387 13.558 312 HB2 SER 83 1HB SER 83 17.917 12.770 13.354 313 HB3 SER 83 2HB SER 83 17.662 14.479 13.032 314 HG SER 83 HG SER 83 16.386 14.019 15.214 315 H TYR 84 H TYR 84 13.752 13.070 14.499 316 HA TYR 84 HA TYR 84 13.245 16.013 14.567 317 HB2 TYR 84 1HB TYR 84 11.207 13.808 14.056 318 HB3 TYR 84 2HB TYR 84 10.796 15.487 14.380 319 HD1 TYR 84 HD1 TYR 84 11.968 13.095 11.913 320 HD2 TYR 84 HD2 TYR 84 11.430 17.267 12.762 321 HE1 TYR 84 HE1 TYR 84 12.172 13.612 9.505 322 HE2 TYR 84 HE2 TYR 84 11.633 17.782 10.354 323 HH TYR 84 HH TYR 84 12.144 15.205 7.956 324 H THR 85 H THR 85 12.346 16.852 16.406 325 HA THR 85 HA THR 85 12.275 15.041 18.750 326 HB THR 85 HB THR 85 12.032 18.074 18.576 327 HG1 THR 85 HG1 THR 85 14.171 17.735 19.708 328 HG21 THR 85 1HG2 THR 85 12.325 18.003 21.021 329 HG22 THR 85 2HG2 THR 85 10.851 17.136 20.531 330 HG23 THR 85 3HG2 THR 85 12.313 16.225 20.975 331 H ALA 86 H ALA 86 10.430 13.873 18.620 332 HA ALA 86 HA ALA 86 7.921 15.140 17.848 333 HB1 ALA 86 1HB ALA 86 6.950 12.900 18.248 334 HB2 ALA 86 2HB ALA 86 8.391 12.818 17.209 335 HB3 ALA 86 3HB ALA 86 8.503 12.357 18.923 336 H GLN 87 H GLN 87 6.139 15.569 19.085 337 HA GLN 87 HA GLN 87 6.552 15.392 22.040 338 HB2 GLN 87 1HB GLN 87 6.318 17.708 21.246 339 HB3 GLN 87 2HB GLN 87 4.818 17.306 20.424 340 HG2 GLN 87 1HG GLN 87 4.289 18.437 22.452 341 HG3 GLN 87 2HG GLN 87 3.820 16.723 22.639 342 HE21 GLN 87 1HE2 GLN 87 5.459 16.627 25.695 343 HE22 GLN 87 2HE2 GLN 87 4.022 16.351 24.770 344 H VAL 88 H VAL 88 5.629 13.601 22.760 345 HA VAL 88 HA VAL 88 3.026 12.794 21.543 346 HB VAL 88 HB VAL 88 5.022 11.086 23.084 347 HG11 VAL 88 1HG1 VAL 88 3.713 9.204 22.233 348 HG12 VAL 88 2HG1 VAL 88 2.741 10.280 23.263 349 HG13 VAL 88 3HG1 VAL 88 2.561 10.340 21.492 350 HG21 VAL 88 1HG2 VAL 88 5.572 10.124 20.870 351 HG22 VAL 88 2HG2 VAL 88 4.480 11.297 20.095 352 HG23 VAL 88 3HG2 VAL 88 5.945 11.864 20.928 353 H GLY 89 H GLY 89 1.591 13.919 22.806 354 HA2 GLY 89 1HA GLY 89 0.191 14.201 24.645 355 HA3 GLY 89 2HA GLY 89 0.988 12.844 25.419 356 H GLN 90 H GLN 90 2.033 13.312 27.241 357 HA GLN 90 HA GLN 90 2.785 16.150 27.727 358 HB2 GLN 90 1HB GLN 90 2.437 13.839 29.681 359 HB3 GLN 90 2HB GLN 90 2.838 15.493 30.123 360 HG2 GLN 90 1HG GLN 90 0.285 14.604 28.765 361 HG3 GLN 90 2HG GLN 90 0.484 15.009 30.494 362 HE21 GLN 90 1HE2 GLN 90 -0.646 17.859 28.046 363 HE22 GLN 90 2HE2 GLN 90 -0.906 16.155 27.869 364 H GLN 91 H GLN 91 4.229 13.567 26.460 365 HA GLN 91 HA GLN 91 6.833 14.195 27.775 366 HB2 GLN 91 1HB GLN 91 6.081 12.021 28.617 367 HB3 GLN 91 2HB GLN 91 5.781 11.451 26.982 368 HG2 GLN 91 1HG GLN 91 7.825 10.498 27.743 369 HG3 GLN 91 2HG GLN 91 8.222 11.721 26.502 370 HE21 GLN 91 1HE2 GLN 91 10.441 13.389 28.560 371 HE22 GLN 91 2HE2 GLN 91 9.918 12.937 26.971 372 H SER 92 H SER 92 8.102 15.146 26.358 373 HA SER 92 HA SER 92 7.910 14.765 23.509 374 HB2 SER 92 1HB SER 92 8.878 16.791 24.430 375 HB3 SER 92 2HB SER 92 10.117 15.872 25.271 376 HG SER 92 HG SER 92 9.790 15.621 22.513 377 H LEU 93 H LEU 93 8.795 13.322 22.187 378 HA LEU 93 HA LEU 93 10.841 11.470 23.316 379 HB2 LEU 93 1HB LEU 93 8.407 10.676 21.677 380 HB3 LEU 93 2HB LEU 93 9.705 9.588 22.177 381 HG LEU 93 HG LEU 93 7.835 11.041 24.082 382 HD11 LEU 93 1HD1 LEU 93 6.805 8.834 24.387 383 HD12 LEU 93 2HD1 LEU 93 6.649 9.407 22.709 384 HD13 LEU 93 3HD1 LEU 93 7.858 8.167 23.117 385 HD21 LEU 93 1HD2 LEU 93 8.811 9.493 25.743 386 HD22 LEU 93 2HD2 LEU 93 9.895 8.835 24.494 387 HD23 LEU 93 3HD2 LEU 93 10.065 10.528 25.016 388 HA PRO 94 HA PRO 94 12.214 13.094 19.283 389 HB2 PRO 94 1HB PRO 94 14.857 13.402 19.997 390 HB3 PRO 94 2HB PRO 94 13.630 14.628 20.343 391 HG2 PRO 94 1HG PRO 94 14.715 12.442 22.168 392 HG3 PRO 94 2HG PRO 94 14.500 14.157 22.524 393 HD2 PRO 94 1HD PRO 94 12.647 12.328 23.301 394 HD3 PRO 94 2HD PRO 94 12.154 13.976 22.743 395 H VAL 95 H VAL 95 13.239 11.930 17.657 396 HA VAL 95 HA VAL 95 14.813 9.548 18.235 397 HB VAL 95 HB VAL 95 12.520 8.720 18.720 398 HG11 VAL 95 1HG1 VAL 95 10.855 8.579 16.930 399 HG12 VAL 95 2HG1 VAL 95 11.260 10.265 17.334 400 HG13 VAL 95 3HG1 VAL 95 11.927 9.515 15.862 401 HG21 VAL 95 1HG2 VAL 95 12.567 6.797 17.162 402 HG22 VAL 95 2HG2 VAL 95 13.694 7.681 16.107 403 HG23 VAL 95 3HG2 VAL 95 14.200 7.196 17.742 404 H LYS 96 H LYS 96 15.987 8.897 16.501 405 HA LYS 96 HA LYS 96 15.808 10.459 14.039 406 HB2 LYS 96 1HB LYS 96 17.992 9.724 14.967 407 HB3 LYS 96 2HB LYS 96 17.531 8.044 14.736 408 HG2 LYS 96 1HG LYS 96 17.526 8.301 12.338 409 HG3 LYS 96 2HG LYS 96 17.743 10.050 12.476 410 HD2 LYS 96 1HD LYS 96 19.942 9.676 13.576 411 HD3 LYS 96 2HD LYS 96 19.726 7.931 13.378 412 HE2 LYS 96 1HE LYS 96 19.624 9.831 11.021 413 HE3 LYS 96 2HE LYS 96 21.144 9.159 11.615 414 HZ1 LYS 96 1HZ LYS 96 20.227 7.844 9.849 415 HZ2 LYS 96 2HZ LYS 96 20.251 6.962 11.242 416 HZ3 LYS 96 3HZ LYS 96 18.830 7.592 10.688 417 H LEU 97 H LEU 97 14.573 10.049 12.368 418 HA LEU 97 HA LEU 97 13.200 7.408 12.308 419 HB2 LEU 97 1HB LEU 97 12.442 10.043 10.998 420 HB3 LEU 97 2HB LEU 97 11.491 8.555 10.951 421 HG LEU 97 HG LEU 97 12.125 10.134 13.469 422 HD11 LEU 97 1HD1 LEU 97 9.769 10.811 13.358 423 HD12 LEU 97 2HD1 LEU 97 10.685 11.384 11.944 424 HD13 LEU 97 3HD1 LEU 97 9.603 9.979 11.794 425 HD21 LEU 97 1HD2 LEU 97 10.414 8.655 14.468 426 HD22 LEU 97 2HD2 LEU 97 10.257 7.791 12.919 427 HD23 LEU 97 3HD2 LEU 97 11.783 7.710 13.832 428 H ASP 98 H ASP 98 14.583 6.122 11.162 429 HA ASP 98 HA ASP 98 15.562 6.936 8.537 430 HB2 ASP 98 1HB ASP 98 15.471 4.251 9.964 431 HB3 ASP 98 2HB ASP 98 16.155 4.469 8.359 432 HA PRO 99 HA PRO 99 12.103 5.887 6.147 433 HB2 PRO 99 1HB PRO 99 13.282 5.079 3.787 434 HB3 PRO 99 2HB PRO 99 13.252 6.768 4.311 435 HG2 PRO 99 1HG PRO 99 15.468 4.701 4.645 436 HG3 PRO 99 2HG PRO 99 15.601 6.359 4.055 437 HD2 PRO 99 1HD PRO 99 16.184 5.754 6.634 438 HD3 PRO 99 2HD PRO 99 15.358 7.306 6.209 439 H ASP 100 H ASP 100 10.841 4.120 5.489 440 HA ASP 100 HA ASP 100 10.114 1.937 5.506 441 HB2 ASP 100 1HB ASP 100 13.012 1.398 4.741 442 HB3 ASP 100 2HB ASP 100 11.723 0.205 4.667 443 H SER 101 H SER 101 10.662 2.963 7.999 444 HA SER 101 HA SER 101 11.190 0.453 9.439 445 HB2 SER 101 1HB SER 101 13.419 1.484 9.306 446 HB3 SER 101 2HB SER 101 12.785 2.979 9.978 447 HG SER 101 HG SER 101 12.415 0.556 11.306 448 H TYR 102 H TYR 102 10.274 0.360 11.483 449 HA TYR 102 HA TYR 102 8.198 2.461 11.869 450 HB2 TYR 102 1HB TYR 102 8.298 -0.461 12.718 451 HB3 TYR 102 2HB TYR 102 7.038 0.657 13.218 452 HD1 TYR 102 HD1 TYR 102 8.624 -0.886 10.226 453 HD2 TYR 102 HD2 TYR 102 5.185 1.096 11.851 454 HE1 TYR 102 HE1 TYR 102 7.363 -1.384 8.160 455 HE2 TYR 102 HE2 TYR 102 3.922 0.599 9.785 456 HH TYR 102 HH TYR 102 5.425 -1.169 7.090 457 H TYR 103 H TYR 103 8.076 3.654 13.639 458 HA TYR 103 HA TYR 103 9.846 2.899 15.927 459 HB2 TYR 103 1HB TYR 103 9.311 5.691 14.832 460 HB3 TYR 103 2HB TYR 103 10.209 5.339 16.302 461 HD1 TYR 103 HD1 TYR 103 10.230 5.095 12.622 462 HD2 TYR 103 HD2 TYR 103 12.469 4.535 16.239 463 HE1 TYR 103 HE1 TYR 103 12.310 4.890 11.304 464 HE2 TYR 103 HE2 TYR 103 14.548 4.330 14.922 465 HH TYR 103 HH TYR 103 15.457 4.368 12.901 466 H THR 104 H THR 104 8.544 2.192 17.458 467 HA THR 104 HA THR 104 5.895 3.395 17.851 468 HB THR 104 HB THR 104 7.358 1.230 19.422 469 HG1 THR 104 HG1 THR 104 6.796 0.179 17.658 470 HG21 THR 104 1HG2 THR 104 5.140 0.751 20.383 471 HG22 THR 104 2HG2 THR 104 5.663 2.405 20.780 472 HG23 THR 104 3HG2 THR 104 4.456 2.137 19.503 473 H LEU 105 H LEU 105 5.405 4.995 19.158 474 HA LEU 105 HA LEU 105 7.483 5.849 21.124 475 HB2 LEU 105 1HB LEU 105 5.358 7.512 19.729 476 HB3 LEU 105 2HB LEU 105 6.538 8.117 20.893 477 HG LEU 105 HG LEU 105 7.185 6.970 18.155 478 HD11 LEU 105 1HD1 LEU 105 7.765 9.294 17.609 479 HD12 LEU 105 2HD1 LEU 105 6.050 9.131 18.051 480 HD13 LEU 105 3HD1 LEU 105 7.209 9.809 19.216 481 HD21 LEU 105 1HD2 LEU 105 9.466 7.773 18.657 482 HD22 LEU 105 2HD2 LEU 105 8.936 8.269 20.282 483 HD23 LEU 105 3HD2 LEU 105 8.945 6.547 19.838 484 H VAL 106 H VAL 106 6.752 4.594 22.838 485 HA VAL 106 HA VAL 106 3.985 4.880 23.760 486 HB VAL 106 HB VAL 106 6.419 3.578 25.056 487 HG11 VAL 106 1HG1 VAL 106 4.809 2.485 26.541 488 HG12 VAL 106 2HG1 VAL 106 4.796 4.254 26.729 489 HG13 VAL 106 3HG1 VAL 106 3.496 3.446 25.821 490 HG21 VAL 106 1HG2 VAL 106 5.334 1.471 24.338 491 HG22 VAL 106 2HG2 VAL 106 4.042 2.407 23.548 492 HG23 VAL 106 3HG2 VAL 106 5.714 2.509 22.941 493 H SER 107 H SER 107 3.291 6.598 24.810 494 HA SER 107 HA SER 107 5.229 8.057 26.557 495 HB2 SER 107 1HB SER 107 4.426 9.454 24.747 496 HB3 SER 107 2HB SER 107 2.756 9.025 25.089 497 HG SER 107 HG SER 107 3.657 11.056 25.938 498 H GLN 108 H GLN 108 4.808 8.329 28.659 499 HA GLN 108 HA GLN 108 2.126 7.579 29.685 500 HB2 GLN 108 1HB GLN 108 3.573 5.517 29.686 501 HB3 GLN 108 2HB GLN 108 4.704 6.353 30.741 502 HG2 GLN 108 1HG GLN 108 3.081 6.488 32.504 503 HG3 GLN 108 2HG GLN 108 1.802 5.858 31.429 504 HE21 GLN 108 1HE2 GLN 108 2.439 2.540 32.170 505 HE22 GLN 108 2HE2 GLN 108 1.380 3.755 31.537 506 HA PRO 109 HA PRO 109 3.490 11.401 31.673 507 HB2 PRO 109 1HB PRO 109 0.530 11.280 32.338 508 HB3 PRO 109 2HB PRO 109 1.494 12.663 31.800 509 HG2 PRO 109 1HG PRO 109 -0.087 11.460 30.028 510 HG3 PRO 109 2HG PRO 109 1.543 11.928 29.537 511 HD2 PRO 109 1HD PRO 109 0.507 9.191 30.387 512 HD3 PRO 109 2HD PRO 109 1.601 9.617 29.008 513 H GLY 110 H GLY 110 4.473 11.138 33.584 514 HA2 GLY 110 1HA GLY 110 4.566 10.907 35.930 515 HA3 GLY 110 2HA GLY 110 2.941 10.246 35.930 516 H GLY 111 H GLY 111 4.713 8.727 33.520 517 HA2 GLY 111 1HA GLY 111 5.552 6.516 35.361 518 HA3 GLY 111 2HA GLY 111 4.665 6.196 33.881 519 H LYS 112 H LYS 112 6.052 5.223 32.529 520 HA LYS 112 HA LYS 112 8.605 6.629 31.925 521 HB2 LYS 112 1HB LYS 112 9.114 4.783 33.510 522 HB3 LYS 112 2HB LYS 112 8.343 3.635 32.424 523 HG2 LYS 112 1HG LYS 112 10.035 4.083 30.706 524 HG3 LYS 112 2HG LYS 112 10.793 5.293 31.752 525 HD2 LYS 112 1HD LYS 112 11.252 3.552 33.445 526 HD3 LYS 112 2HD LYS 112 10.484 2.339 32.410 527 HE2 LYS 112 1HE LYS 112 12.171 2.768 30.652 528 HE3 LYS 112 2HE LYS 112 12.938 3.979 31.682 529 HZ1 LYS 112 1HZ LYS 112 14.050 1.874 31.820 530 HZ2 LYS 112 2HZ LYS 112 13.388 2.250 33.284 531 HZ3 LYS 112 3HZ LYS 112 12.672 1.118 32.322 532 HA PRO 113 HA PRO 113 6.942 5.851 27.915 533 HB2 PRO 113 1HB PRO 113 8.716 7.366 26.498 534 HB3 PRO 113 2HB PRO 113 7.455 8.105 27.494 535 HG2 PRO 113 1HG PRO 113 10.384 7.605 28.180 536 HG3 PRO 113 2HG PRO 113 9.450 9.092 28.384 537 HD2 PRO 113 1HD PRO 113 9.834 7.335 30.447 538 HD3 PRO 113 2HD PRO 113 8.311 8.296 30.280 539 H GLN 114 H GLN 114 7.784 4.898 25.873 540 HA GLN 114 HA GLN 114 10.369 3.488 26.109 541 HB2 GLN 114 1HB GLN 114 8.777 1.944 27.172 542 HB3 GLN 114 2HB GLN 114 7.706 2.050 25.784 543 HG2 GLN 114 1HG GLN 114 8.875 0.001 25.613 544 HG3 GLN 114 2HG GLN 114 9.572 1.091 24.383 545 HE21 GLN 114 1HE2 GLN 114 12.802 0.619 25.516 546 HE22 GLN 114 2HE2 GLN 114 11.701 0.958 24.223 547 H LEU 115 H LEU 115 11.416 3.649 24.271 548 HA LEU 115 HA LEU 115 9.845 3.964 21.762 549 HB2 LEU 115 1HB LEU 115 12.662 4.658 22.584 550 HB3 LEU 115 2HB LEU 115 12.272 4.436 20.876 551 HG LEU 115 HG LEU 115 10.451 6.209 21.209 552 HD11 LEU 115 1HD1 LEU 115 10.776 7.717 23.118 553 HD12 LEU 115 2HD1 LEU 115 10.340 6.076 23.646 554 HD13 LEU 115 3HD1 LEU 115 12.026 6.632 23.764 555 HD21 LEU 115 1HD2 LEU 115 12.102 8.037 21.012 556 HD22 LEU 115 2HD2 LEU 115 13.375 6.956 21.629 557 HD23 LEU 115 3HD2 LEU 115 12.603 6.617 20.061 558 H VAL 116 H VAL 116 9.747 2.429 20.273 559 HA VAL 116 HA VAL 116 11.743 0.214 20.415 560 HB VAL 116 HB VAL 116 8.747 -0.082 19.922 561 HG11 VAL 116 1HG1 VAL 116 9.201 -2.487 19.894 562 HG12 VAL 116 2HG1 VAL 116 10.045 -1.632 18.579 563 HG13 VAL 116 3HG1 VAL 116 10.944 -2.158 20.022 564 HG21 VAL 116 1HG2 VAL 116 8.779 -1.341 22.053 565 HG22 VAL 116 2HG2 VAL 116 10.509 -0.970 22.245 566 HG23 VAL 116 3HG2 VAL 116 9.307 0.342 22.292 567 H ALA 117 H ALA 117 12.848 0.087 18.598 568 HA ALA 117 HA ALA 117 11.599 1.054 16.087 569 HB1 ALA 117 1HB ALA 117 13.889 0.916 15.158 570 HB2 ALA 117 2HB ALA 117 13.831 1.928 16.622 571 HB3 ALA 117 3HB ALA 117 14.471 0.268 16.708 572 H GLU 118 H GLU 118 11.018 -0.211 14.456 573 HA GLU 118 HA GLU 118 11.799 -3.088 14.587 574 HB2 GLU 118 1HB GLU 118 9.013 -1.977 14.057 575 HB3 GLU 118 2HB GLU 118 9.475 -3.658 13.823 576 HG2 GLU 118 1HG GLU 118 10.028 -3.824 16.231 577 HG3 GLU 118 2HG GLU 118 9.505 -2.155 16.449 578 HA PRO 119 HA PRO 119 12.939 -2.779 10.400 579 HB2 PRO 119 1HB PRO 119 11.433 -5.409 10.110 580 HB3 PRO 119 2HB PRO 119 13.062 -4.994 9.562 581 HG2 PRO 119 1HG PRO 119 12.815 -6.456 11.767 582 HG3 PRO 119 2HG PRO 119 13.988 -5.135 11.754 583 HD2 PRO 119 1HD PRO 119 11.191 -5.202 12.954 584 HD3 PRO 119 2HD PRO 119 12.713 -4.517 13.649
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