NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636164 | 6h0q | 34301 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 6.597 -4.038 -16.547 2 H2 GLY 1 HT2 GLY 1 6.341 -4.919 -17.967 3 H3 GLY 1 HT3 GLY 1 7.829 -4.165 -17.697 4 HA2 GLY 1 HA1 GLY 1 6.711 -6.413 -16.125 5 HA3 GLY 1 HA2 GLY 1 8.000 -6.532 -17.315 6 H ALA 2 HN ALA 2 7.879 -7.076 -14.371 7 HA ALA 2 HA ALA 2 10.423 -5.857 -13.742 8 HB1 ALA 2 HB1 ALA 2 8.844 -4.170 -12.924 9 HB2 ALA 2 HB2 ALA 2 9.712 -4.939 -11.596 10 HB3 ALA 2 HB3 ALA 2 8.045 -5.397 -11.941 11 H ALA 3 HN ALA 3 11.660 -7.286 -12.724 12 HA ALA 3 HA ALA 3 10.470 -9.774 -11.785 13 HB1 ALA 3 HB1 ALA 3 12.764 -10.589 -11.658 14 HB2 ALA 3 HB2 ALA 3 13.369 -8.975 -12.029 15 HB3 ALA 3 HB3 ALA 3 12.444 -9.869 -13.235 16 H SER 4 HN SER 4 10.939 -6.856 -10.527 17 HA SER 4 HA SER 4 10.501 -7.512 -7.882 18 HB2 SER 4 HB2 SER 4 12.886 -8.338 -7.996 19 HB3 SER 4 HB1 SER 4 13.374 -6.671 -8.296 20 HG SER 4 HG SER 4 12.392 -7.858 -5.972 21 H ALA 5 HN ALA 5 9.058 -5.815 -8.024 22 HA ALA 5 HA ALA 5 10.060 -3.153 -8.617 23 HB1 ALA 5 HB1 ALA 5 7.786 -3.762 -9.286 24 HB2 ALA 5 HB2 ALA 5 7.774 -2.418 -8.142 25 HB3 ALA 5 HB3 ALA 5 7.358 -4.042 -7.598 26 H ALA 6 HN ALA 6 10.434 -5.149 -6.092 27 HA ALA 6 HA ALA 6 10.012 -3.320 -3.906 28 HB1 ALA 6 HB1 ALA 6 9.903 -5.692 -3.483 29 HB2 ALA 6 HB2 ALA 6 11.281 -5.020 -2.610 30 HB3 ALA 6 HB3 ALA 6 11.538 -5.919 -4.109 31 H THR 7 HN THR 7 12.384 -3.962 -6.247 32 HA THR 7 HA THR 7 14.412 -2.467 -4.773 33 HB THR 7 HB THR 7 15.182 -4.545 -5.788 34 HG1 THR 7 HG1 THR 7 16.916 -3.544 -7.102 35 HG21 THR 7 HG21 THR 7 15.352 -4.776 -8.227 36 HG22 THR 7 HG22 THR 7 14.457 -3.270 -8.423 37 HG23 THR 7 HG23 THR 7 13.672 -4.673 -7.695 38 H ASP 8 HN ASP 8 11.837 -1.921 -6.762 39 HA ASP 8 HA ASP 8 12.995 0.458 -7.994 40 HB2 ASP 8 HB2 ASP 8 10.829 -1.324 -8.672 41 HB3 ASP 8 HB1 ASP 8 10.252 0.329 -8.493 42 H LEU 9 HN LEU 9 10.762 -0.773 -5.675 43 HA LEU 9 HA LEU 9 9.473 1.669 -5.055 44 HB2 LEU 9 HB2 LEU 9 8.390 -0.351 -4.453 45 HB3 LEU 9 HB1 LEU 9 9.785 -0.926 -3.569 46 HG LEU 9 HG LEU 9 9.493 1.034 -2.019 47 HD11 LEU 9 HD11 LEU 9 8.102 2.389 -3.500 48 HD12 LEU 9 HD12 LEU 9 7.318 2.102 -1.937 49 HD13 LEU 9 HD13 LEU 9 6.798 1.193 -3.358 50 HD21 LEU 9 HD21 LEU 9 8.864 -1.310 -1.546 51 HD22 LEU 9 HD22 LEU 9 7.224 -0.929 -2.063 52 HD23 LEU 9 HD23 LEU 9 7.919 -0.116 -0.664 53 H ALA 10 HN ALA 10 11.777 -0.326 -3.340 54 HA ALA 10 HA ALA 10 12.611 1.579 -1.432 55 HB1 ALA 10 HB1 ALA 10 14.575 0.145 -1.120 56 HB2 ALA 10 HB2 ALA 10 14.193 -0.714 -2.613 57 HB3 ALA 10 HB3 ALA 10 13.099 -0.815 -1.233 58 H ALA 11 HN ALA 11 12.909 1.742 -4.717 59 HA ALA 11 HA ALA 11 15.425 3.153 -4.799 60 HB1 ALA 11 HB1 ALA 11 14.893 1.819 -6.700 61 HB2 ALA 11 HB2 ALA 11 14.813 3.514 -7.180 62 HB3 ALA 11 HB3 ALA 11 13.323 2.609 -6.874 63 H ARG 12 HN ARG 12 11.900 3.888 -5.029 64 HA ARG 12 HA ARG 12 12.140 6.679 -5.182 65 HB2 ARG 12 HB2 ARG 12 10.113 4.777 -4.091 66 HB3 ARG 12 HB1 ARG 12 9.911 6.489 -3.800 67 HG2 ARG 12 HG2 ARG 12 8.615 6.168 -5.631 68 HG3 ARG 12 HG1 ARG 12 10.141 6.627 -6.386 69 HD2 ARG 12 HD2 ARG 12 10.472 4.574 -7.252 70 HD3 ARG 12 HD1 ARG 12 9.773 3.770 -5.848 71 HE ARG 12 HE ARG 12 7.760 5.115 -7.302 72 HH11 ARG 12 HH11 ARG 12 9.854 2.330 -7.510 73 HH12 ARG 12 HH12 ARG 12 8.703 1.372 -8.394 74 HH21 ARG 12 HH21 ARG 12 6.243 3.855 -8.478 75 HH22 ARG 12 HH22 ARG 12 6.661 2.236 -8.937 76 H LEU 13 HN LEU 13 12.391 4.384 -2.617 77 HA LEU 13 HA LEU 13 12.115 6.300 -0.484 78 HB2 LEU 13 HB2 LEU 13 12.581 3.356 -0.667 79 HB3 LEU 13 HB1 LEU 13 12.778 4.178 0.864 80 HG LEU 13 HG LEU 13 10.467 4.723 0.974 81 HD11 LEU 13 HD11 LEU 13 10.361 3.963 -1.895 82 HD12 LEU 13 HD12 LEU 13 9.892 5.485 -1.121 83 HD13 LEU 13 HD13 LEU 13 8.915 4.035 -0.881 84 HD21 LEU 13 HD21 LEU 13 9.367 2.581 0.876 85 HD22 LEU 13 HD22 LEU 13 10.995 2.413 1.534 86 HD23 LEU 13 HD23 LEU 13 10.664 1.948 -0.135 87 H ASN 14 HN ASN 14 14.594 4.375 -1.974 88 HA ASN 14 HA ASN 14 16.837 4.847 -0.562 89 HB2 ASN 14 HB2 ASN 14 16.151 4.006 -3.112 90 HB3 ASN 14 HB1 ASN 14 17.286 5.323 -3.388 91 HD21 ASN 14 HD21 ASN 14 17.311 2.288 -3.589 92 HD22 ASN 14 HD22 ASN 14 18.797 1.844 -2.823 93 H GLY 15 HN GLY 15 17.812 6.576 0.192 94 HA2 GLY 15 HA2 GLY 15 18.929 8.635 -0.027 95 HA3 GLY 15 HA1 GLY 15 17.951 8.996 -1.440 96 H LEU 16 HN LEU 16 15.750 7.901 0.627 97 HA LEU 16 HA LEU 16 15.175 10.621 1.565 98 HB2 LEU 16 HB2 LEU 16 13.454 8.385 0.622 99 HB3 LEU 16 HB1 LEU 16 12.792 9.514 1.776 100 HG LEU 16 HG LEU 16 12.119 10.221 -0.389 101 HD11 LEU 16 HD11 LEU 16 12.947 12.443 -0.430 102 HD12 LEU 16 HD12 LEU 16 14.435 11.963 0.385 103 HD13 LEU 16 HD13 LEU 16 12.900 11.919 1.258 104 HD21 LEU 16 HD21 LEU 16 13.783 9.022 -1.713 105 HD22 LEU 16 HD22 LEU 16 15.031 10.148 -1.177 106 HD23 LEU 16 HD23 LEU 16 13.700 10.719 -2.183 107 H SER 17 HN SER 17 13.885 10.786 3.513 108 HA SER 17 HA SER 17 14.941 9.122 5.646 109 HB2 SER 17 HB2 SER 17 13.215 11.606 5.655 110 HB3 SER 17 HB1 SER 17 13.880 10.838 7.088 111 HG SER 17 HG SER 17 15.313 12.415 6.566 112 HA PRO 18 HA PRO 18 11.729 6.360 6.474 113 HB2 PRO 18 HB2 PRO 18 11.145 7.833 9.016 114 HB3 PRO 18 HB1 PRO 18 11.361 6.097 8.747 115 HG2 PRO 18 HG2 PRO 18 13.354 7.472 9.769 116 HG3 PRO 18 HG1 PRO 18 13.687 6.312 8.467 117 HD2 PRO 18 HD2 PRO 18 13.506 9.288 8.338 118 HD3 PRO 18 HD1 PRO 18 14.641 8.189 7.528 119 H GLN 19 HN GLN 19 10.592 9.575 7.554 120 HA GLN 19 HA GLN 19 7.837 9.023 7.008 121 HB2 GLN 19 HB2 GLN 19 8.628 10.756 8.606 122 HB3 GLN 19 HB1 GLN 19 9.206 11.701 7.242 123 HG2 GLN 19 HG2 GLN 19 7.139 12.631 7.772 124 HG3 GLN 19 HG1 GLN 19 6.852 11.610 6.363 125 HE21 GLN 19 HE21 GLN 19 7.287 10.310 9.570 126 HE22 GLN 19 HE22 GLN 19 5.659 9.768 9.770 127 H GLN 20 HN GLN 20 10.469 10.343 5.089 128 HA GLN 20 HA GLN 20 8.829 11.339 2.952 129 HB2 GLN 20 HB2 GLN 20 11.743 10.509 3.086 130 HB3 GLN 20 HB1 GLN 20 11.002 11.213 1.657 131 HG2 GLN 20 HG2 GLN 20 11.241 12.565 4.324 132 HG3 GLN 20 HG1 GLN 20 12.348 12.792 2.982 133 HE21 GLN 20 HE21 GLN 20 9.392 13.703 4.394 134 HE22 GLN 20 HE22 GLN 20 8.888 14.813 3.167 135 H GLN 21 HN GLN 21 10.809 8.466 3.489 136 HA GLN 21 HA GLN 21 10.168 6.957 1.222 137 HB2 GLN 21 HB2 GLN 21 10.858 6.134 4.055 138 HB3 GLN 21 HB1 GLN 21 10.798 5.009 2.709 139 HG2 GLN 21 HG2 GLN 21 12.569 6.234 1.590 140 HG3 GLN 21 HG1 GLN 21 12.618 7.403 2.908 141 HE21 GLN 21 HE21 GLN 21 12.209 5.267 4.915 142 HE22 GLN 21 HE22 GLN 21 13.723 4.458 5.048 143 H GLN 22 HN GLN 22 8.490 7.480 4.212 144 HA GLN 22 HA GLN 22 6.539 5.473 4.013 145 HB2 GLN 22 HB2 GLN 22 7.258 7.290 5.857 146 HB3 GLN 22 HB1 GLN 22 5.869 8.068 5.178 147 HG2 GLN 22 HG2 GLN 22 4.506 6.252 5.685 148 HG3 GLN 22 HG1 GLN 22 5.850 5.311 6.298 149 HE21 GLN 22 HE21 GLN 22 6.769 5.918 8.286 150 HE22 GLN 22 HE22 GLN 22 5.912 6.911 9.412 151 H GLN 23 HN GLN 23 6.454 8.898 3.362 152 HA GLN 23 HA GLN 23 4.071 9.379 2.240 153 HB2 GLN 23 HB2 GLN 23 6.734 10.335 1.370 154 HB3 GLN 23 HB1 GLN 23 5.230 11.037 0.790 155 HG2 GLN 23 HG2 GLN 23 4.616 11.700 2.983 156 HG3 GLN 23 HG1 GLN 23 5.943 10.815 3.690 157 HE21 GLN 23 HE21 GLN 23 6.543 12.737 4.742 158 HE22 GLN 23 HE22 GLN 23 7.392 13.987 3.903 159 H THR 24 HN THR 24 6.792 7.989 0.423 160 HA THR 24 HA THR 24 5.598 7.983 -2.105 161 HB THR 24 HB THR 24 7.684 6.298 -0.777 162 HG1 THR 24 HG1 THR 24 7.577 8.560 -2.330 163 HG21 THR 24 HG21 THR 24 8.164 5.193 -2.873 164 HG22 THR 24 HG22 THR 24 6.867 6.077 -3.678 165 HG23 THR 24 HG23 THR 24 6.480 4.883 -2.438 166 H LEU 25 HN LEU 25 5.537 5.476 0.433 167 HA LEU 25 HA LEU 25 3.741 3.769 -1.064 168 HB2 LEU 25 HB2 LEU 25 4.288 3.880 1.888 169 HB3 LEU 25 HB1 LEU 25 3.505 2.568 1.039 170 HG LEU 25 HG LEU 25 6.286 3.319 0.278 171 HD11 LEU 25 HD11 LEU 25 5.567 1.590 2.641 172 HD12 LEU 25 HD12 LEU 25 6.206 3.231 2.747 173 HD13 LEU 25 HD13 LEU 25 7.188 1.945 2.038 174 HD21 LEU 25 HD21 LEU 25 6.403 0.901 -0.134 175 HD22 LEU 25 HD22 LEU 25 5.085 1.656 -1.027 176 HD23 LEU 25 HD23 LEU 25 4.745 0.730 0.435 177 H ALA 26 HN ALA 26 3.574 6.187 1.447 178 HA ALA 26 HA ALA 26 0.782 6.003 1.925 179 HB1 ALA 26 HB1 ALA 26 1.132 8.027 3.246 180 HB2 ALA 26 HB2 ALA 26 2.705 8.270 2.477 181 HB3 ALA 26 HB3 ALA 26 2.448 6.881 3.530 182 H THR 27 HN THR 27 2.144 6.690 -0.786 183 HA THR 27 HA THR 27 0.096 8.590 -1.642 184 HB THR 27 HB THR 27 2.991 8.326 -2.414 185 HG1 THR 27 HG1 THR 27 2.506 9.846 -0.833 186 HG21 THR 27 HG21 THR 27 2.619 9.769 -4.337 187 HG22 THR 27 HG22 THR 27 0.878 9.721 -4.049 188 HG23 THR 27 HG23 THR 27 1.742 8.243 -4.497 189 H LEU 28 HN LEU 28 2.281 6.001 -2.579 190 HA LEU 28 HA LEU 28 0.984 5.236 -4.926 191 HB2 LEU 28 HB2 LEU 28 3.171 4.575 -4.854 192 HB3 LEU 28 HB1 LEU 28 3.071 4.124 -3.169 193 HG LEU 28 HG LEU 28 1.387 2.335 -4.165 194 HD11 LEU 28 HD11 LEU 28 1.721 3.081 -6.466 195 HD12 LEU 28 HD12 LEU 28 2.194 1.395 -6.228 196 HD13 LEU 28 HD13 LEU 28 3.429 2.656 -6.340 197 HD21 LEU 28 HD21 LEU 28 3.376 0.762 -4.211 198 HD22 LEU 28 HD22 LEU 28 3.041 1.656 -2.718 199 HD23 LEU 28 HD23 LEU 28 4.341 2.187 -3.797 200 H VAL 29 HN VAL 29 0.927 4.015 -1.662 201 HA VAL 29 HA VAL 29 -0.704 1.769 -2.161 202 HB VAL 29 HB VAL 29 -0.120 3.345 0.339 203 HG11 VAL 29 HG11 VAL 29 -1.594 0.715 0.219 204 HG12 VAL 29 HG12 VAL 29 -2.387 2.276 0.423 205 HG13 VAL 29 HG13 VAL 29 -1.255 1.695 1.647 206 HG21 VAL 29 HG21 VAL 29 1.279 1.476 0.903 207 HG22 VAL 29 HG22 VAL 29 1.687 2.020 -0.728 208 HG23 VAL 29 HG23 VAL 29 0.707 0.571 -0.496 209 H ALA 30 HN ALA 30 -1.296 5.086 -1.388 210 HA ALA 30 HA ALA 30 -4.128 4.803 -1.141 211 HB1 ALA 30 HB1 ALA 30 -4.063 7.277 -1.195 212 HB2 ALA 30 HB2 ALA 30 -2.321 7.169 -1.439 213 HB3 ALA 30 HB3 ALA 30 -3.044 6.554 0.046 214 H ALA 31 HN ALA 31 -1.828 5.633 -3.598 215 HA ALA 31 HA ALA 31 -3.587 6.419 -5.639 216 HB1 ALA 31 HB1 ALA 31 -1.066 4.878 -6.161 217 HB2 ALA 31 HB2 ALA 31 -0.986 6.503 -5.483 218 HB3 ALA 31 HB3 ALA 31 -1.746 6.237 -7.065 219 H ALA 32 HN ALA 32 -2.253 3.364 -4.647 220 HA ALA 32 HA ALA 32 -3.511 1.589 -6.338 221 HB1 ALA 32 HB1 ALA 32 -2.691 1.440 -3.453 222 HB2 ALA 32 HB2 ALA 32 -1.830 0.829 -4.868 223 HB3 ALA 32 HB3 ALA 32 -3.318 0.041 -4.334 224 H THR 33 HN THR 33 -4.695 2.893 -3.205 225 HA THR 33 HA THR 33 -7.215 1.518 -3.510 226 HB THR 33 HB THR 33 -6.684 3.812 -1.618 227 HG1 THR 33 HG1 THR 33 -5.031 2.116 -1.482 228 HG21 THR 33 HG21 THR 33 -8.265 2.438 -0.203 229 HG22 THR 33 HG22 THR 33 -8.557 1.448 -1.638 230 HG23 THR 33 HG23 THR 33 -8.970 3.162 -1.647 231 H ALA 34 HN ALA 34 -5.910 4.560 -4.484 232 HA ALA 34 HA ALA 34 -8.357 5.871 -5.006 233 HB1 ALA 34 HB1 ALA 34 -5.678 6.241 -6.347 234 HB2 ALA 34 HB2 ALA 34 -6.216 7.052 -4.876 235 HB3 ALA 34 HB3 ALA 34 -7.042 7.362 -6.406 236 H THR 35 HN THR 35 -6.433 3.514 -6.658 237 HA THR 35 HA THR 35 -7.817 3.569 -9.127 238 HB THR 35 HB THR 35 -5.813 1.858 -7.771 239 HG1 THR 35 HG1 THR 35 -5.586 3.653 -9.466 240 HG21 THR 35 HG21 THR 35 -6.020 0.040 -9.316 241 HG22 THR 35 HG22 THR 35 -7.355 0.843 -10.145 242 HG23 THR 35 HG23 THR 35 -7.562 0.279 -8.481 243 H VAL 36 HN VAL 36 -7.971 1.489 -6.234 244 HA VAL 36 HA VAL 36 -9.762 -0.385 -7.239 245 HB VAL 36 HB VAL 36 -10.251 -0.957 -4.892 246 HG11 VAL 36 HG11 VAL 36 -7.774 -1.283 -4.215 247 HG12 VAL 36 HG12 VAL 36 -7.472 -0.716 -5.861 248 HG13 VAL 36 HG13 VAL 36 -8.463 -2.154 -5.581 249 HG21 VAL 36 HG21 VAL 36 -10.308 0.880 -3.610 250 HG22 VAL 36 HG22 VAL 36 -8.889 1.586 -4.377 251 HG23 VAL 36 HG23 VAL 36 -8.703 0.263 -3.226 252 H LEU 37 HN LEU 37 -10.397 2.768 -5.850 253 HA LEU 37 HA LEU 37 -13.267 2.170 -5.764 254 HB2 LEU 37 HB2 LEU 37 -11.941 4.672 -4.790 255 HB3 LEU 37 HB1 LEU 37 -13.488 4.004 -4.312 256 HG LEU 37 HG LEU 37 -10.864 2.668 -3.718 257 HD11 LEU 37 HD11 LEU 37 -10.915 4.860 -2.690 258 HD12 LEU 37 HD12 LEU 37 -11.049 3.582 -1.485 259 HD13 LEU 37 HD13 LEU 37 -12.479 4.495 -1.964 260 HD21 LEU 37 HD21 LEU 37 -13.640 2.313 -2.612 261 HD22 LEU 37 HD22 LEU 37 -12.200 1.454 -2.066 262 HD23 LEU 37 HD23 LEU 37 -12.804 1.212 -3.705 263 H GLY 38 HN GLY 38 -11.248 3.228 -8.057 264 HA2 GLY 38 HA2 GLY 38 -11.499 4.493 -9.957 265 HA3 GLY 38 HA1 GLY 38 -13.216 4.534 -9.595 266 H HIS 39 HN HIS 39 -10.493 5.843 -7.737 267 HA HIS 39 HA HIS 39 -11.758 8.502 -7.924 268 HB2 HIS 39 HB2 HIS 39 -10.112 7.196 -5.770 269 HB3 HIS 39 HB1 HIS 39 -10.238 8.948 -5.861 270 HD1 HIS 39 HD1 HIS 39 -11.806 9.612 -4.044 271 HD2 HIS 39 HD2 HIS 39 -13.150 6.263 -6.118 272 HE1 HIS 39 HE1 HIS 39 -14.051 9.060 -3.064 273 HE2 HIS 39 HE2 HIS 39 -14.743 6.914 -4.187 274 H HIS 40 HN HIS 40 -9.067 6.655 -8.790 275 HA HIS 40 HA HIS 40 -7.247 7.052 -10.056 276 HB2 HIS 40 HB2 HIS 40 -8.785 8.596 -11.309 277 HB3 HIS 40 HB1 HIS 40 -8.156 9.918 -10.332 278 HD1 HIS 40 HD1 HIS 40 -7.741 10.253 -13.235 279 HD2 HIS 40 HD2 HIS 40 -5.040 8.125 -10.893 280 HE1 HIS 40 HE1 HIS 40 -5.583 10.257 -14.518 281 HE2 HIS 40 HE2 HIS 40 -4.029 8.807 -13.173 282 H THR 41 HN THR 41 -7.692 10.067 -8.137 283 HA THR 41 HA THR 41 -4.817 10.007 -7.698 284 HB THR 41 HB THR 41 -5.776 12.130 -8.452 285 HG1 THR 41 HG1 THR 41 -4.772 13.430 -6.781 286 HG21 THR 41 HG21 THR 41 -7.114 13.491 -6.927 287 HG22 THR 41 HG22 THR 41 -7.128 12.164 -5.765 288 HG23 THR 41 HG23 THR 41 -7.948 11.986 -7.317 289 HA PRO 42 HA PRO 42 -5.004 8.554 -3.532 290 HB2 PRO 42 HB2 PRO 42 -2.539 10.025 -3.051 291 HB3 PRO 42 HB1 PRO 42 -2.791 8.283 -3.143 292 HG2 PRO 42 HG2 PRO 42 -1.431 9.698 -5.029 293 HG3 PRO 42 HG1 PRO 42 -2.311 8.195 -5.357 294 HD2 PRO 42 HD2 PRO 42 -3.115 11.011 -5.971 295 HD3 PRO 42 HD1 PRO 42 -3.378 9.508 -6.876 296 H GLU 43 HN GLU 43 -4.930 11.805 -4.481 297 HA GLU 43 HA GLU 43 -4.773 13.131 -2.010 298 HB2 GLU 43 HB2 GLU 43 -6.080 13.909 -4.605 299 HB3 GLU 43 HB1 GLU 43 -5.883 15.009 -3.245 300 HG2 GLU 43 HG2 GLU 43 -3.511 14.878 -3.418 301 HG3 GLU 43 HG1 GLU 43 -3.635 13.571 -4.591 302 H SER 44 HN SER 44 -7.389 11.501 -3.616 303 HA SER 44 HA SER 44 -9.390 12.506 -1.798 304 HB2 SER 44 HB2 SER 44 -9.969 12.026 -4.131 305 HB3 SER 44 HB1 SER 44 -9.511 10.349 -3.895 306 HG SER 44 HG SER 44 -11.472 11.530 -2.261 307 H ILE 45 HN ILE 45 -7.152 9.965 -1.961 308 HA ILE 45 HA ILE 45 -8.605 8.149 -0.225 309 HB ILE 45 HB ILE 45 -5.807 7.919 -1.313 310 HG12 ILE 45 HG12 ILE 45 -7.371 8.092 -3.143 311 HG13 ILE 45 HG11 ILE 45 -6.820 6.428 -3.003 312 HG21 ILE 45 HG21 ILE 45 -6.302 6.488 0.654 313 HG22 ILE 45 HG22 ILE 45 -5.957 5.574 -0.814 314 HG23 ILE 45 HG23 ILE 45 -7.624 5.754 -0.261 315 HD11 ILE 45 HD11 ILE 45 -9.447 7.476 -1.993 316 HD12 ILE 45 HD12 ILE 45 -8.896 5.800 -1.938 317 HD13 ILE 45 HD13 ILE 45 -9.198 6.581 -3.490 318 H SER 46 HN SER 46 -8.711 9.129 1.771 319 HA SER 46 HA SER 46 -6.415 10.251 3.055 320 HB2 SER 46 HB2 SER 46 -8.932 9.371 4.428 321 HB3 SER 46 HB1 SER 46 -7.853 10.692 4.864 322 HG SER 46 HG SER 46 -8.524 11.443 2.582 323 HA PRO 47 HA PRO 47 -4.712 6.519 4.463 324 HB2 PRO 47 HB2 PRO 47 -2.884 7.428 6.133 325 HB3 PRO 47 HB1 PRO 47 -2.913 8.031 4.476 326 HG2 PRO 47 HG2 PRO 47 -3.852 9.338 6.981 327 HG3 PRO 47 HG1 PRO 47 -3.068 10.057 5.570 328 HD2 PRO 47 HD2 PRO 47 -5.847 9.953 6.118 329 HD3 PRO 47 HD1 PRO 47 -5.084 10.478 4.596 330 H ALA 48 HN ALA 48 -6.675 8.228 6.561 331 HA ALA 48 HA ALA 48 -6.291 6.245 8.662 332 HB1 ALA 48 HB1 ALA 48 -5.308 8.497 9.091 333 HB2 ALA 48 HB2 ALA 48 -6.437 7.912 10.320 334 HB3 ALA 48 HB3 ALA 48 -6.958 9.120 9.145 335 H THR 49 HN THR 49 -8.298 7.192 6.373 336 HA THR 49 HA THR 49 -10.833 7.327 7.580 337 HB THR 49 HB THR 49 -9.829 6.616 4.838 338 HG1 THR 49 HG1 THR 49 -10.997 8.874 6.057 339 HG21 THR 49 HG21 THR 49 -12.697 6.745 5.731 340 HG22 THR 49 HG22 THR 49 -11.825 5.334 5.125 341 HG23 THR 49 HG23 THR 49 -12.156 6.695 4.050 342 H ALA 50 HN ALA 50 -8.988 4.738 6.143 343 HA ALA 50 HA ALA 50 -8.830 2.505 6.790 344 HB1 ALA 50 HB1 ALA 50 -10.255 2.686 8.757 345 HB2 ALA 50 HB2 ALA 50 -10.691 1.281 7.780 346 HB3 ALA 50 HB3 ALA 50 -11.686 2.740 7.722 347 H PHE 51 HN PHE 51 -8.934 0.999 5.376 348 HA PHE 51 HA PHE 51 -9.934 1.349 2.829 349 HB2 PHE 51 HB2 PHE 51 -9.258 -1.150 4.353 350 HB3 PHE 51 HB1 PHE 51 -9.629 -1.151 2.627 351 HD1 PHE 51 HD1 PHE 51 -8.373 1.111 1.559 352 HD2 PHE 51 HD2 PHE 51 -7.037 -1.414 4.688 353 HE1 PHE 51 HE1 PHE 51 -6.059 1.772 1.078 354 HE2 PHE 51 HE2 PHE 51 -4.718 -0.769 4.225 355 HZ PHE 51 HZ PHE 51 -4.222 0.828 2.412 356 H LYS 52 HN LYS 52 -11.360 -0.471 5.492 357 HA LYS 52 HA LYS 52 -13.650 -1.396 4.301 358 HB2 LYS 52 HB2 LYS 52 -13.304 -0.212 7.062 359 HB3 LYS 52 HB1 LYS 52 -14.684 -1.178 6.557 360 HG2 LYS 52 HG2 LYS 52 -13.047 -3.027 6.065 361 HG3 LYS 52 HG1 LYS 52 -11.821 -2.033 6.850 362 HD2 LYS 52 HD2 LYS 52 -14.373 -3.006 8.106 363 HD3 LYS 52 HD1 LYS 52 -12.775 -3.691 8.388 364 HE2 LYS 52 HE2 LYS 52 -12.046 -1.530 9.302 365 HE3 LYS 52 HE1 LYS 52 -13.666 -0.894 9.027 366 HZ1 LYS 52 HZ1 LYS 52 -14.561 -2.422 10.600 367 HZ2 LYS 52 HZ2 LYS 52 -13.264 -1.622 11.336 368 HZ3 LYS 52 HZ3 LYS 52 -13.076 -3.208 10.779 369 H ASP 53 HN ASP 53 -12.942 1.747 5.673 370 HA ASP 53 HA ASP 53 -15.600 2.752 5.303 371 HB2 ASP 53 HB2 ASP 53 -13.997 3.392 7.167 372 HB3 ASP 53 HB1 ASP 53 -13.111 4.341 5.976 373 H LEU 54 HN LEU 54 -12.823 2.448 3.438 374 HA LEU 54 HA LEU 54 -13.220 4.741 1.731 375 HB2 LEU 54 HB2 LEU 54 -11.250 2.510 1.911 376 HB3 LEU 54 HB1 LEU 54 -11.347 3.422 0.424 377 HG LEU 54 HG LEU 54 -10.925 4.743 3.100 378 HD11 LEU 54 HD11 LEU 54 -8.840 3.742 1.176 379 HD12 LEU 54 HD12 LEU 54 -9.129 3.152 2.815 380 HD13 LEU 54 HD13 LEU 54 -8.538 4.794 2.557 381 HD21 LEU 54 HD21 LEU 54 -9.979 6.516 1.697 382 HD22 LEU 54 HD22 LEU 54 -11.666 6.183 1.305 383 HD23 LEU 54 HD23 LEU 54 -10.382 5.574 0.263 384 H GLY 55 HN GLY 55 -14.042 1.374 1.812 385 HA2 GLY 55 HA2 GLY 55 -15.981 0.873 0.338 386 HA3 GLY 55 HA1 GLY 55 -15.048 1.606 -0.959 387 H ILE 56 HN ILE 56 -12.855 0.087 0.884 388 HA ILE 56 HA ILE 56 -12.301 -2.001 -0.895 389 HB ILE 56 HB ILE 56 -11.486 -1.495 1.946 390 HG12 ILE 56 HG12 ILE 56 -10.136 -0.131 0.768 391 HG13 ILE 56 HG11 ILE 56 -9.202 -1.600 0.586 392 HG21 ILE 56 HG21 ILE 56 -11.150 -3.951 0.389 393 HG22 ILE 56 HG22 ILE 56 -11.301 -3.706 2.133 394 HG23 ILE 56 HG23 ILE 56 -9.768 -3.375 1.317 395 HD11 ILE 56 HD11 ILE 56 -11.048 -0.347 -1.413 396 HD12 ILE 56 HD12 ILE 56 -10.362 -1.968 -1.594 397 HD13 ILE 56 HD13 ILE 56 -9.301 -0.562 -1.524 398 H ASP 57 HN ASP 57 -13.325 -3.831 -1.267 399 HA ASP 57 HA ASP 57 -15.291 -4.766 0.728 400 HB2 ASP 57 HB2 ASP 57 -16.840 -5.240 -1.079 401 HB3 ASP 57 HB1 ASP 57 -16.343 -3.556 -1.165 402 H SER 58 HN SER 58 -12.692 -5.839 0.518 403 HA SER 58 HA SER 58 -11.631 -7.847 0.474 404 HB2 SER 58 HB2 SER 58 -14.144 -9.081 -0.558 405 HB3 SER 58 HB1 SER 58 -12.795 -9.910 0.201 406 HG SER 58 HG SER 58 -13.842 -7.893 1.735 407 H LEU 59 HN LEU 59 -13.736 -7.402 -2.342 408 HA LEU 59 HA LEU 59 -12.010 -8.705 -4.192 409 HB2 LEU 59 HB2 LEU 59 -14.131 -6.602 -4.602 410 HB3 LEU 59 HB1 LEU 59 -13.294 -7.409 -5.902 411 HG LEU 59 HG LEU 59 -14.270 -9.555 -5.248 412 HD11 LEU 59 HD11 LEU 59 -14.491 -9.160 -2.854 413 HD12 LEU 59 HD12 LEU 59 -16.008 -9.704 -3.576 414 HD13 LEU 59 HD13 LEU 59 -15.785 -8.001 -3.168 415 HD21 LEU 59 HD21 LEU 59 -15.422 -8.211 -6.874 416 HD22 LEU 59 HD22 LEU 59 -16.222 -7.299 -5.597 417 HD23 LEU 59 HD23 LEU 59 -16.608 -9.005 -5.836 418 H THR 60 HN THR 60 -12.643 -5.339 -3.366 419 HA THR 60 HA THR 60 -10.482 -4.406 -5.034 420 HB THR 60 HB THR 60 -10.950 -2.210 -3.729 421 HG1 THR 60 HG1 THR 60 -13.414 -3.579 -3.277 422 HG21 THR 60 HG21 THR 60 -11.473 -2.596 -6.075 423 HG22 THR 60 HG22 THR 60 -12.776 -1.701 -5.282 424 HG23 THR 60 HG23 THR 60 -12.965 -3.425 -5.615 425 H ALA 61 HN ALA 61 -10.814 -5.709 -1.969 426 HA ALA 61 HA ALA 61 -8.453 -4.536 -0.832 427 HB1 ALA 61 HB1 ALA 61 -9.748 -7.145 -0.065 428 HB2 ALA 61 HB2 ALA 61 -10.275 -5.568 0.526 429 HB3 ALA 61 HB3 ALA 61 -8.654 -6.156 0.907 430 H LEU 62 HN LEU 62 -9.284 -7.443 -2.662 431 HA LEU 62 HA LEU 62 -6.648 -8.487 -2.708 432 HB2 LEU 62 HB2 LEU 62 -9.008 -9.546 -3.296 433 HB3 LEU 62 HB1 LEU 62 -8.580 -8.976 -4.886 434 HG LEU 62 HG LEU 62 -7.623 -10.961 -5.185 435 HD11 LEU 62 HD11 LEU 62 -5.572 -10.037 -3.179 436 HD12 LEU 62 HD12 LEU 62 -5.655 -9.498 -4.855 437 HD13 LEU 62 HD13 LEU 62 -5.343 -11.197 -4.491 438 HD21 LEU 62 HD21 LEU 62 -7.689 -11.225 -2.198 439 HD22 LEU 62 HD22 LEU 62 -7.083 -12.483 -3.275 440 HD23 LEU 62 HD23 LEU 62 -8.770 -11.970 -3.373 441 H GLU 63 HN GLU 63 -8.595 -6.480 -4.976 442 HA GLU 63 HA GLU 63 -6.604 -6.256 -6.931 443 HB2 GLU 63 HB2 GLU 63 -8.720 -5.683 -7.653 444 HB3 GLU 63 HB1 GLU 63 -9.136 -4.908 -6.134 445 HG2 GLU 63 HG2 GLU 63 -9.048 -3.190 -7.680 446 HG3 GLU 63 HG1 GLU 63 -7.548 -3.118 -6.757 447 H LEU 64 HN LEU 64 -7.342 -4.437 -3.973 448 HA LEU 64 HA LEU 64 -5.383 -2.455 -4.160 449 HB2 LEU 64 HB2 LEU 64 -7.095 -3.473 -2.143 450 HB3 LEU 64 HB1 LEU 64 -5.456 -3.609 -1.519 451 HG LEU 64 HG LEU 64 -6.828 -1.083 -2.415 452 HD11 LEU 64 HD11 LEU 64 -5.747 -1.890 0.288 453 HD12 LEU 64 HD12 LEU 64 -7.448 -2.026 -0.180 454 HD13 LEU 64 HD13 LEU 64 -6.674 -0.439 -0.108 455 HD21 LEU 64 HD21 LEU 64 -4.472 -1.104 -3.078 456 HD22 LEU 64 HD22 LEU 64 -4.021 -1.508 -1.423 457 HD23 LEU 64 HD23 LEU 64 -4.771 0.050 -1.775 458 H ARG 65 HN ARG 65 -5.359 -5.687 -2.983 459 HA ARG 65 HA ARG 65 -2.723 -5.866 -2.053 460 HB2 ARG 65 HB2 ARG 65 -4.551 -7.420 -1.443 461 HB3 ARG 65 HB1 ARG 65 -4.527 -8.086 -3.073 462 HG2 ARG 65 HG2 ARG 65 -2.089 -8.139 -1.306 463 HG3 ARG 65 HG1 ARG 65 -3.344 -9.370 -1.184 464 HD2 ARG 65 HD2 ARG 65 -3.013 -9.988 -3.497 465 HD3 ARG 65 HD1 ARG 65 -1.852 -8.680 -3.712 466 HE ARG 65 HE ARG 65 -1.040 -10.416 -1.616 467 HH11 ARG 65 HH11 ARG 65 -1.230 -10.181 -5.101 468 HH12 ARG 65 HH12 ARG 65 0.111 -11.241 -5.381 469 HH21 ARG 65 HH21 ARG 65 0.720 -11.837 -1.971 470 HH22 ARG 65 HH22 ARG 65 1.226 -12.182 -3.593 471 H ASN 66 HN ASN 66 -4.189 -6.887 -5.049 472 HA ASN 66 HA ASN 66 -2.003 -7.866 -6.408 473 HB2 ASN 66 HB2 ASN 66 -4.568 -6.574 -7.275 474 HB3 ASN 66 HB1 ASN 66 -3.402 -7.117 -8.466 475 HD21 ASN 66 HD21 ASN 66 -6.093 -8.058 -7.963 476 HD22 ASN 66 HD22 ASN 66 -5.963 -9.741 -7.596 477 H THR 67 HN THR 67 -3.073 -4.496 -6.072 478 HA THR 67 HA THR 67 -1.043 -3.537 -7.861 479 HB THR 67 HB THR 67 -2.711 -2.030 -5.862 480 HG1 THR 67 HG1 THR 67 -4.041 -2.894 -7.447 481 HG21 THR 67 HG21 THR 67 -0.706 -0.775 -6.426 482 HG22 THR 67 HG22 THR 67 -2.113 -0.037 -7.199 483 HG23 THR 67 HG23 THR 67 -1.008 -1.034 -8.146 484 H LEU 68 HN LEU 68 -1.508 -3.401 -4.338 485 HA LEU 68 HA LEU 68 0.759 -2.027 -3.593 486 HB2 LEU 68 HB2 LEU 68 -0.321 -4.442 -2.151 487 HB3 LEU 68 HB1 LEU 68 0.595 -3.126 -1.452 488 HG LEU 68 HG LEU 68 -2.085 -2.665 -2.703 489 HD11 LEU 68 HD11 LEU 68 -3.124 -3.062 -0.617 490 HD12 LEU 68 HD12 LEU 68 -1.574 -3.267 0.194 491 HD13 LEU 68 HD13 LEU 68 -2.131 -4.475 -0.959 492 HD21 LEU 68 HD21 LEU 68 -0.628 -0.729 -2.243 493 HD22 LEU 68 HD22 LEU 68 -0.547 -1.218 -0.550 494 HD23 LEU 68 HD23 LEU 68 -2.087 -0.726 -1.254 495 H THR 69 HN THR 69 0.414 -5.549 -3.627 496 HA THR 69 HA THR 69 3.035 -6.177 -3.011 497 HB THR 69 HB THR 69 0.647 -7.552 -3.928 498 HG1 THR 69 HG1 THR 69 2.846 -8.680 -2.544 499 HG21 THR 69 HG21 THR 69 3.270 -8.748 -4.826 500 HG22 THR 69 HG22 THR 69 2.018 -8.101 -5.888 501 HG23 THR 69 HG23 THR 69 1.686 -9.527 -4.898 502 H HIS 70 HN HIS 70 1.572 -5.347 -6.061 503 HA HIS 70 HA HIS 70 3.713 -6.327 -7.672 504 HB2 HIS 70 HB2 HIS 70 1.363 -6.110 -8.464 505 HB3 HIS 70 HB1 HIS 70 1.507 -4.372 -8.334 506 HD1 HIS 70 HD1 HIS 70 2.286 -7.226 -10.550 507 HD2 HIS 70 HD2 HIS 70 3.146 -3.165 -10.321 508 HE1 HIS 70 HE1 HIS 70 3.126 -6.585 -12.830 509 HE2 HIS 70 HE2 HIS 70 3.791 -4.166 -12.621 510 H ASN 71 HN ASN 71 2.831 -3.214 -6.287 511 HA ASN 71 HA ASN 71 4.977 -1.839 -7.620 512 HB2 ASN 71 HB2 ASN 71 2.998 -0.981 -5.551 513 HB3 ASN 71 HB1 ASN 71 4.293 0.070 -6.124 514 HD21 ASN 71 HD21 ASN 71 1.368 -1.564 -6.941 515 HD22 ASN 71 HD22 ASN 71 1.037 -0.686 -8.387 516 H THR 72 HN THR 72 4.667 -3.582 -4.672 517 HA THR 72 HA THR 72 7.078 -2.275 -3.629 518 HB THR 72 HB THR 72 6.361 -3.043 -1.412 519 HG1 THR 72 HG1 THR 72 3.880 -3.780 -2.583 520 HG21 THR 72 HG21 THR 72 4.848 -1.330 -1.089 521 HG22 THR 72 HG22 THR 72 3.940 -1.721 -2.549 522 HG23 THR 72 HG23 THR 72 5.486 -0.876 -2.674 523 H GLY 73 HN GLY 73 5.781 -5.222 -4.815 524 HA2 GLY 73 HA2 GLY 73 7.139 -6.963 -5.572 525 HA3 GLY 73 HA1 GLY 73 8.465 -6.258 -4.677 526 H LEU 74 HN LEU 74 5.831 -6.451 -2.707 527 HA LEU 74 HA LEU 74 7.130 -8.540 -1.201 528 HB2 LEU 74 HB2 LEU 74 5.896 -6.203 -0.532 529 HB3 LEU 74 HB1 LEU 74 4.658 -7.382 -0.145 530 HG LEU 74 HG LEU 74 6.418 -8.625 1.169 531 HD11 LEU 74 HD11 LEU 74 8.458 -7.579 1.675 532 HD12 LEU 74 HD12 LEU 74 7.911 -6.026 1.045 533 HD13 LEU 74 HD13 LEU 74 8.255 -7.351 -0.070 534 HD21 LEU 74 HD21 LEU 74 5.866 -5.831 2.132 535 HD22 LEU 74 HD22 LEU 74 6.129 -7.276 3.105 536 HD23 LEU 74 HD23 LEU 74 4.664 -7.120 2.136 537 H ASP 75 HN ASP 75 5.737 -10.081 0.002 538 HA ASP 75 HA ASP 75 3.694 -11.205 -1.793 539 HB2 ASP 75 HB2 ASP 75 5.819 -12.393 -2.064 540 HB3 ASP 75 HB1 ASP 75 5.858 -12.684 -0.334 541 H LEU 76 HN LEU 76 2.452 -9.931 -0.161 542 HA LEU 76 HA LEU 76 1.947 -11.511 2.261 543 HB2 LEU 76 HB2 LEU 76 2.443 -8.912 2.186 544 HB3 LEU 76 HB1 LEU 76 0.737 -8.818 1.811 545 HG LEU 76 HG LEU 76 1.291 -8.473 4.220 546 HD11 LEU 76 HD11 LEU 76 -0.440 -10.020 5.109 547 HD12 LEU 76 HD12 LEU 76 -0.494 -10.789 3.522 548 HD13 LEU 76 HD13 LEU 76 -0.942 -9.096 3.698 549 HD21 LEU 76 HD21 LEU 76 1.888 -10.373 5.599 550 HD22 LEU 76 HD22 LEU 76 3.127 -10.078 4.380 551 HD23 LEU 76 HD23 LEU 76 1.984 -11.404 4.174 552 HA PRO 77 HA PRO 77 -1.706 -13.252 0.365 553 HB2 PRO 77 HB2 PRO 77 -2.487 -13.345 3.246 554 HB3 PRO 77 HB1 PRO 77 -2.558 -14.616 2.020 555 HG2 PRO 77 HG2 PRO 77 -0.641 -14.629 3.846 556 HG3 PRO 77 HG1 PRO 77 -0.283 -15.058 2.162 557 HD2 PRO 77 HD2 PRO 77 0.322 -12.548 3.650 558 HD3 PRO 77 HD1 PRO 77 1.271 -13.380 2.404 559 HA PRO 78 HA PRO 78 -4.991 -10.311 -0.125 560 HB2 PRO 78 HB2 PRO 78 -6.606 -12.639 0.815 561 HB3 PRO 78 HB1 PRO 78 -6.916 -11.550 -0.540 562 HG2 PRO 78 HG2 PRO 78 -5.898 -13.914 -1.036 563 HG3 PRO 78 HG1 PRO 78 -5.191 -12.494 -1.835 564 HD2 PRO 78 HD2 PRO 78 -4.151 -14.090 0.463 565 HD3 PRO 78 HD1 PRO 78 -3.268 -13.311 -0.865 566 H THR 79 HN THR 79 -4.330 -11.545 2.965 567 HA THR 79 HA THR 79 -6.694 -10.301 4.141 568 HB THR 79 HB THR 79 -5.833 -11.323 6.269 569 HG1 THR 79 HG1 THR 79 -4.278 -13.184 5.558 570 HG21 THR 79 HG21 THR 79 -6.346 -13.160 3.928 571 HG22 THR 79 HG22 THR 79 -7.562 -12.420 4.972 572 HG23 THR 79 HG23 THR 79 -6.457 -13.631 5.627 573 H LEU 80 HN LEU 80 -4.350 -8.999 2.859 574 HA LEU 80 HA LEU 80 -2.724 -7.804 4.844 575 HB2 LEU 80 HB2 LEU 80 -2.061 -8.036 2.478 576 HB3 LEU 80 HB1 LEU 80 -3.320 -6.908 2.021 577 HG LEU 80 HG LEU 80 -2.188 -5.094 3.114 578 HD11 LEU 80 HD11 LEU 80 -1.340 -6.285 5.056 579 HD12 LEU 80 HD12 LEU 80 -0.048 -5.393 4.253 580 HD13 LEU 80 HD13 LEU 80 -0.182 -7.137 4.037 581 HD21 LEU 80 HD21 LEU 80 -0.244 -6.749 1.516 582 HD22 LEU 80 HD22 LEU 80 -0.114 -5.017 1.825 583 HD23 LEU 80 HD23 LEU 80 -1.451 -5.644 0.859 584 H ILE 81 HN ILE 81 -5.700 -6.856 3.207 585 HA ILE 81 HA ILE 81 -5.798 -4.260 4.447 586 HB ILE 81 HB ILE 81 -8.141 -5.790 3.310 587 HG12 ILE 81 HG12 ILE 81 -6.520 -5.670 1.561 588 HG13 ILE 81 HG11 ILE 81 -7.693 -4.400 1.278 589 HG21 ILE 81 HG21 ILE 81 -7.654 -2.844 3.589 590 HG22 ILE 81 HG22 ILE 81 -8.680 -3.801 4.661 591 HG23 ILE 81 HG23 ILE 81 -9.106 -3.608 2.957 592 HD11 ILE 81 HD11 ILE 81 -5.355 -3.721 0.923 593 HD12 ILE 81 HD12 ILE 81 -5.064 -3.987 2.644 594 HD13 ILE 81 HD13 ILE 81 -6.214 -2.758 2.123 595 H PHE 82 HN PHE 82 -7.129 -7.408 5.116 596 HA PHE 82 HA PHE 82 -8.752 -6.723 7.290 597 HB2 PHE 82 HB2 PHE 82 -7.370 -9.316 6.574 598 HB3 PHE 82 HB1 PHE 82 -8.626 -9.155 7.789 599 HD1 PHE 82 HD1 PHE 82 -10.873 -9.439 7.179 600 HD2 PHE 82 HD2 PHE 82 -7.968 -8.523 4.199 601 HE1 PHE 82 HE1 PHE 82 -12.569 -9.752 5.428 602 HE2 PHE 82 HE2 PHE 82 -9.660 -8.841 2.449 603 HZ PHE 82 HZ PHE 82 -12.020 -9.483 3.118 604 H ASP 83 HN ASP 83 -5.341 -7.332 6.995 605 HA ASP 83 HA ASP 83 -4.950 -7.387 9.884 606 HB2 ASP 83 HB2 ASP 83 -3.706 -8.916 8.316 607 HB3 ASP 83 HB1 ASP 83 -2.861 -7.500 7.708 608 H HIS 84 HN HIS 84 -4.526 -5.274 7.150 609 HA HIS 84 HA HIS 84 -3.673 -3.105 8.957 610 HB2 HIS 84 HB2 HIS 84 -2.625 -3.720 6.193 611 HB3 HIS 84 HB1 HIS 84 -2.350 -2.194 7.001 612 HD1 HIS 84 HD1 HIS 84 -0.554 -2.171 8.877 613 HD2 HIS 84 HD2 HIS 84 -1.222 -5.923 7.225 614 HE1 HIS 84 HE1 HIS 84 1.313 -3.621 9.717 615 HE2 HIS 84 HE2 HIS 84 0.723 -5.932 8.923 616 HA PRO 85 HA PRO 85 -7.499 -2.194 6.813 617 HB2 PRO 85 HB2 PRO 85 -8.802 -0.992 8.794 618 HB3 PRO 85 HB1 PRO 85 -8.421 -2.716 8.864 619 HG2 PRO 85 HG2 PRO 85 -7.073 -0.422 10.223 620 HG3 PRO 85 HG1 PRO 85 -7.429 -2.042 10.847 621 HD2 PRO 85 HD2 PRO 85 -4.976 -1.203 9.813 622 HD3 PRO 85 HD1 PRO 85 -5.486 -2.889 10.027 623 H THR 86 HN THR 86 -5.115 0.110 7.363 624 HA THR 86 HA THR 86 -6.843 2.093 6.075 625 HB THR 86 HB THR 86 -5.743 3.917 7.258 626 HG1 THR 86 HG1 THR 86 -4.663 2.617 9.329 627 HG21 THR 86 HG21 THR 86 -6.956 1.851 9.085 628 HG22 THR 86 HG22 THR 86 -7.801 3.139 8.226 629 HG23 THR 86 HG23 THR 86 -6.679 3.535 9.524 630 HA PRO 87 HA PRO 87 -3.612 2.530 3.028 631 HB2 PRO 87 HB2 PRO 87 -3.786 5.459 3.375 632 HB3 PRO 87 HB1 PRO 87 -3.913 4.490 1.910 633 HG2 PRO 87 HG2 PRO 87 -6.081 5.574 3.033 634 HG3 PRO 87 HG1 PRO 87 -6.132 3.978 2.266 635 HD2 PRO 87 HD2 PRO 87 -6.099 4.689 5.166 636 HD3 PRO 87 HD1 PRO 87 -6.927 3.357 4.334 637 H HIS 88 HN HIS 88 -3.456 4.504 5.926 638 HA HIS 88 HA HIS 88 -0.649 4.885 5.988 639 HB2 HIS 88 HB2 HIS 88 -2.330 6.125 7.376 640 HB3 HIS 88 HB1 HIS 88 -2.574 4.662 8.313 641 HD1 HIS 88 HD1 HIS 88 0.246 7.079 7.467 642 HD2 HIS 88 HD2 HIS 88 -0.972 4.463 10.457 643 HE1 HIS 88 HE1 HIS 88 1.909 7.365 9.329 644 HE2 HIS 88 HE2 HIS 88 1.032 5.924 11.201 645 H ALA 89 HN ALA 89 -2.764 2.484 7.536 646 HA ALA 89 HA ALA 89 -0.854 0.890 8.746 647 HB1 ALA 89 HB1 ALA 89 -3.234 0.642 9.126 648 HB2 ALA 89 HB2 ALA 89 -2.510 -0.900 8.650 649 HB3 ALA 89 HB3 ALA 89 -3.445 0.038 7.479 650 H LEU 90 HN LEU 90 -2.333 0.297 5.530 651 HA LEU 90 HA LEU 90 -0.757 -1.831 4.756 652 HB2 LEU 90 HB2 LEU 90 -2.567 -0.026 3.518 653 HB3 LEU 90 HB1 LEU 90 -1.147 -0.132 2.511 654 HG LEU 90 HG LEU 90 -1.405 -2.479 2.221 655 HD11 LEU 90 HD11 LEU 90 -2.075 -3.204 4.375 656 HD12 LEU 90 HD12 LEU 90 -3.371 -3.636 3.262 657 HD13 LEU 90 HD13 LEU 90 -3.545 -2.238 4.314 658 HD21 LEU 90 HD21 LEU 90 -3.595 -2.572 1.161 659 HD22 LEU 90 HD22 LEU 90 -2.777 -1.049 0.809 660 HD23 LEU 90 HD23 LEU 90 -4.073 -1.104 2.005 661 H THR 91 HN THR 91 -0.159 1.612 4.378 662 HA THR 91 HA THR 91 2.230 1.421 2.982 663 HB THR 91 HB THR 91 1.124 3.513 4.852 664 HG1 THR 91 HG1 THR 91 0.094 3.530 2.917 665 HG21 THR 91 HG21 THR 91 3.817 3.418 3.580 666 HG22 THR 91 HG22 THR 91 3.342 4.029 5.164 667 HG23 THR 91 HG23 THR 91 2.987 4.965 3.712 668 H GLN 92 HN GLN 92 1.636 1.775 6.465 669 HA GLN 92 HA GLN 92 4.174 1.637 7.473 670 HB2 GLN 92 HB2 GLN 92 1.620 0.416 8.516 671 HB3 GLN 92 HB1 GLN 92 3.097 0.503 9.460 672 HG2 GLN 92 HG2 GLN 92 2.980 3.033 9.021 673 HG3 GLN 92 HG1 GLN 92 1.323 2.718 8.531 674 HE21 GLN 92 HE21 GLN 92 2.554 4.142 10.880 675 HE22 GLN 92 HE22 GLN 92 1.759 3.454 12.256 676 H HIS 93 HN HIS 93 2.076 -1.033 6.531 677 HA HIS 93 HA HIS 93 3.671 -3.175 7.265 678 HB2 HIS 93 HB2 HIS 93 1.415 -3.545 6.536 679 HB3 HIS 93 HB1 HIS 93 1.749 -2.854 4.954 680 HD1 HIS 93 HD1 HIS 93 2.684 -5.897 7.030 681 HD2 HIS 93 HD2 HIS 93 2.478 -4.662 3.060 682 HE1 HIS 93 HE1 HIS 93 3.122 -7.954 5.661 683 HE2 HIS 93 HE2 HIS 93 2.852 -7.215 3.271 684 H LEU 94 HN LEU 94 3.600 -1.561 4.047 685 HA LEU 94 HA LEU 94 5.729 -3.268 3.104 686 HB2 LEU 94 HB2 LEU 94 4.477 -0.806 1.867 687 HB3 LEU 94 HB1 LEU 94 5.500 -1.964 1.043 688 HG LEU 94 HG LEU 94 2.897 -2.771 2.316 689 HD11 LEU 94 HD11 LEU 94 3.203 -2.121 -0.596 690 HD12 LEU 94 HD12 LEU 94 2.629 -0.944 0.597 691 HD13 LEU 94 HD13 LEU 94 1.732 -2.439 0.330 692 HD21 LEU 94 HD21 LEU 94 3.045 -4.652 0.786 693 HD22 LEU 94 HD22 LEU 94 4.518 -4.544 1.746 694 HD23 LEU 94 HD23 LEU 94 4.516 -3.992 0.067 695 H HIS 95 HN HIS 95 5.528 -0.276 4.738 696 HA HIS 95 HA HIS 95 8.072 0.785 3.856 697 HB2 HIS 95 HB2 HIS 95 6.208 2.250 4.661 698 HB3 HIS 95 HB1 HIS 95 6.368 1.530 6.256 699 HD1 HIS 95 HD1 HIS 95 8.258 2.348 7.742 700 HD2 HIS 95 HD2 HIS 95 8.264 4.066 3.951 701 HE1 HIS 95 HE1 HIS 95 9.909 4.230 7.857 702 HE2 HIS 95 HE2 HIS 95 9.664 5.411 5.653 703 H THR 96 HN THR 96 6.830 -1.252 6.352 704 HA THR 96 HA THR 96 9.275 -1.195 7.900 705 HB THR 96 HB THR 96 6.486 -2.034 8.280 706 HG1 THR 96 HG1 THR 96 7.392 -1.592 10.562 707 HG21 THR 96 HG21 THR 96 6.942 -3.733 9.962 708 HG22 THR 96 HG22 THR 96 8.662 -3.659 9.577 709 HG23 THR 96 HG23 THR 96 7.512 -4.232 8.368 710 H ARG 97 HN ARG 97 7.376 -3.340 5.845 711 HA ARG 97 HA ARG 97 8.956 -5.635 6.161 712 HB2 ARG 97 HB2 ARG 97 7.038 -4.765 4.034 713 HB3 ARG 97 HB1 ARG 97 7.850 -6.314 3.967 714 HG2 ARG 97 HG2 ARG 97 6.171 -5.381 6.261 715 HG3 ARG 97 HG1 ARG 97 5.554 -6.347 4.920 716 HD2 ARG 97 HD2 ARG 97 7.763 -7.136 6.810 717 HD3 ARG 97 HD1 ARG 97 6.106 -7.720 6.837 718 HE ARG 97 HE ARG 97 7.482 -8.154 4.343 719 HH11 ARG 97 HH11 ARG 97 6.725 -9.458 7.495 720 HH12 ARG 97 HH12 ARG 97 7.027 -11.103 7.033 721 HH21 ARG 97 HH21 ARG 97 7.906 -10.319 3.726 722 HH22 ARG 97 HH22 ARG 97 7.704 -11.591 4.887 723 H LEU 98 HN LEU 98 9.409 -2.799 4.298 724 HA LEU 98 HA LEU 98 11.124 -3.496 2.299 725 HB2 LEU 98 HB2 LEU 98 10.844 -1.181 4.068 726 HB3 LEU 98 HB1 LEU 98 12.412 -1.332 3.323 727 HG LEU 98 HG LEU 98 10.088 -0.202 2.210 728 HD11 LEU 98 HD11 LEU 98 12.756 -0.918 1.015 729 HD12 LEU 98 HD12 LEU 98 12.349 0.571 1.868 730 HD13 LEU 98 HD13 LEU 98 11.595 0.210 0.313 731 HD21 LEU 98 HD21 LEU 98 9.479 -2.540 1.546 732 HD22 LEU 98 HD22 LEU 98 10.974 -2.599 0.606 733 HD23 LEU 98 HD23 LEU 98 9.720 -1.433 0.197 734 H THR 99 HN THR 99 11.892 -3.235 5.722 735 HA THR 99 HA THR 99 14.503 -4.448 5.185 736 HB THR 99 HB THR 99 14.829 -2.500 6.452 737 HG1 THR 99 HG1 THR 99 16.022 -4.110 7.399 738 HG21 THR 99 HG21 THR 99 12.599 -3.376 8.282 739 HG22 THR 99 HG22 THR 99 12.511 -2.082 7.082 740 HG23 THR 99 HG23 THR 99 13.584 -1.927 8.477 741 H GLN 100 HN GLN 100 11.550 -4.817 7.070 742 HA GLN 100 HA GLN 100 12.374 -7.296 8.258 743 HB2 GLN 100 HB2 GLN 100 9.605 -6.142 8.063 744 HB3 GLN 100 HB1 GLN 100 10.135 -7.402 9.162 745 HG2 GLN 100 HG2 GLN 100 11.178 -4.584 9.166 746 HG3 GLN 100 HG1 GLN 100 9.887 -5.179 10.204 747 HE21 GLN 100 HE21 GLN 100 10.995 -4.777 12.082 748 HE22 GLN 100 HE22 GLN 100 12.375 -5.691 12.578 749 H SER 101 HN SER 101 12.858 -7.839 5.736 750 HA SER 101 HA SER 101 10.922 -9.901 5.153 751 HB2 SER 101 HB2 SER 101 10.099 -7.913 3.910 752 HB3 SER 101 HB1 SER 101 11.613 -7.882 3.015 753 HG SER 101 HG SER 101 10.446 -9.103 1.722 754 H HIS 102 HN HIS 102 11.810 -10.817 2.802 755 HA HIS 102 HA HIS 102 14.596 -11.492 3.447 756 HB2 HIS 102 HB2 HIS 102 12.478 -13.126 2.084 757 HB3 HIS 102 HB1 HIS 102 14.150 -13.615 2.195 758 HD1 HIS 102 HD1 HIS 102 14.808 -14.882 4.243 759 HD2 HIS 102 HD2 HIS 102 11.196 -12.874 4.715 760 HE1 HIS 102 HE1 HIS 102 13.919 -15.597 6.483 761 HE2 HIS 102 HE2 HIS 102 11.726 -14.385 6.745 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 6.863 -0.691 -17.840 2 H2 GLY 1 HT2 GLY 1 8.502 -0.646 -17.433 3 H3 GLY 1 HT3 GLY 1 7.350 -0.041 -16.357 4 HA2 GLY 1 HA1 GLY 1 6.415 -2.255 -16.081 5 HA3 GLY 1 HA2 GLY 1 7.641 -2.874 -17.177 6 H ALA 2 HN ALA 2 6.950 -3.153 -14.177 7 HA ALA 2 HA ALA 2 9.712 -2.755 -13.230 8 HB1 ALA 2 HB1 ALA 2 8.156 -1.200 -12.136 9 HB2 ALA 2 HB2 ALA 2 8.839 -2.358 -10.995 10 HB3 ALA 2 HB3 ALA 2 7.189 -2.568 -11.582 11 H ALA 3 HN ALA 3 10.575 -4.722 -13.365 12 HA ALA 3 HA ALA 3 9.203 -7.163 -12.884 13 HB1 ALA 3 HB1 ALA 3 11.332 -8.220 -13.039 14 HB2 ALA 3 HB2 ALA 3 12.177 -6.720 -12.666 15 HB3 ALA 3 HB3 ALA 3 11.336 -6.901 -14.213 16 H SER 4 HN SER 4 12.088 -6.288 -11.130 17 HA SER 4 HA SER 4 10.974 -7.201 -8.649 18 HB2 SER 4 HB2 SER 4 13.423 -6.484 -8.011 19 HB3 SER 4 HB1 SER 4 13.144 -7.951 -8.933 20 HG SER 4 HG SER 4 14.762 -6.688 -9.896 21 H ALA 5 HN ALA 5 9.390 -5.541 -8.312 22 HA ALA 5 HA ALA 5 10.198 -2.787 -8.382 23 HB1 ALA 5 HB1 ALA 5 7.979 -3.487 -9.127 24 HB2 ALA 5 HB2 ALA 5 7.887 -2.300 -7.825 25 HB3 ALA 5 HB3 ALA 5 7.593 -4.005 -7.486 26 H ALA 6 HN ALA 6 10.689 -5.097 -6.041 27 HA ALA 6 HA ALA 6 10.134 -3.378 -3.769 28 HB1 ALA 6 HB1 ALA 6 9.896 -5.745 -3.443 29 HB2 ALA 6 HB2 ALA 6 11.235 -5.163 -2.453 30 HB3 ALA 6 HB3 ALA 6 11.561 -6.028 -3.956 31 H THR 7 HN THR 7 12.636 -3.958 -5.973 32 HA THR 7 HA THR 7 14.535 -2.494 -4.298 33 HB THR 7 HB THR 7 15.427 -4.575 -5.204 34 HG1 THR 7 HG1 THR 7 16.501 -2.112 -6.071 35 HG21 THR 7 HG21 THR 7 14.992 -3.333 -7.921 36 HG22 THR 7 HG22 THR 7 14.113 -4.717 -7.266 37 HG23 THR 7 HG23 THR 7 15.842 -4.846 -7.602 38 H ASP 8 HN ASP 8 12.137 -1.925 -6.383 39 HA ASP 8 HA ASP 8 13.395 0.477 -7.472 40 HB2 ASP 8 HB2 ASP 8 11.232 -1.239 -8.369 41 HB3 ASP 8 HB1 ASP 8 10.752 0.451 -8.269 42 H LEU 9 HN LEU 9 10.942 -0.816 -5.404 43 HA LEU 9 HA LEU 9 9.634 1.622 -4.850 44 HB2 LEU 9 HB2 LEU 9 8.514 -0.410 -4.318 45 HB3 LEU 9 HB1 LEU 9 9.838 -0.953 -3.309 46 HG LEU 9 HG LEU 9 9.418 1.062 -1.859 47 HD11 LEU 9 HD11 LEU 9 6.822 1.133 -3.379 48 HD12 LEU 9 HD12 LEU 9 8.145 2.317 -3.532 49 HD13 LEU 9 HD13 LEU 9 7.272 2.139 -1.996 50 HD21 LEU 9 HD21 LEU 9 8.805 -1.218 -1.260 51 HD22 LEU 9 HD22 LEU 9 7.239 -0.999 -2.033 52 HD23 LEU 9 HD23 LEU 9 7.667 -0.037 -0.622 53 H ALA 10 HN ALA 10 11.795 -0.383 -2.964 54 HA ALA 10 HA ALA 10 12.483 1.515 -0.995 55 HB1 ALA 10 HB1 ALA 10 12.919 -0.840 -0.688 56 HB2 ALA 10 HB2 ALA 10 14.437 0.057 -0.571 57 HB3 ALA 10 HB3 ALA 10 14.052 -0.842 -2.042 58 H ALA 11 HN ALA 11 13.068 1.678 -4.242 59 HA ALA 11 HA ALA 11 15.614 3.038 -4.077 60 HB1 ALA 11 HB1 ALA 11 15.198 1.659 -6.000 61 HB2 ALA 11 HB2 ALA 11 15.315 3.347 -6.498 62 HB3 ALA 11 HB3 ALA 11 13.732 2.569 -6.370 63 H ARG 12 HN ARG 12 12.126 3.820 -4.565 64 HA ARG 12 HA ARG 12 12.428 6.610 -4.722 65 HB2 ARG 12 HB2 ARG 12 10.295 4.715 -3.859 66 HB3 ARG 12 HB1 ARG 12 10.075 6.417 -3.530 67 HG2 ARG 12 HG2 ARG 12 8.932 6.046 -5.505 68 HG3 ARG 12 HG1 ARG 12 10.474 6.726 -6.017 69 HD2 ARG 12 HD2 ARG 12 10.248 3.796 -5.767 70 HD3 ARG 12 HD1 ARG 12 9.469 4.576 -7.155 71 HE ARG 12 HE ARG 12 12.211 5.383 -6.728 72 HH11 ARG 12 HH11 ARG 12 10.094 3.111 -8.349 73 HH12 ARG 12 HH12 ARG 12 11.265 2.680 -9.557 74 HH21 ARG 12 HH21 ARG 12 13.742 4.853 -8.326 75 HH22 ARG 12 HH22 ARG 12 13.343 3.690 -9.550 76 H LEU 13 HN LEU 13 12.499 4.321 -2.157 77 HA LEU 13 HA LEU 13 12.043 6.222 -0.044 78 HB2 LEU 13 HB2 LEU 13 12.564 3.287 -0.198 79 HB3 LEU 13 HB1 LEU 13 12.604 4.112 1.344 80 HG LEU 13 HG LEU 13 10.279 4.632 1.226 81 HD11 LEU 13 HD11 LEU 13 9.871 5.336 -0.924 82 HD12 LEU 13 HD12 LEU 13 8.926 3.853 -0.761 83 HD13 LEU 13 HD13 LEU 13 10.467 3.832 -1.634 84 HD21 LEU 13 HD21 LEU 13 10.794 2.362 1.904 85 HD22 LEU 13 HD22 LEU 13 10.684 1.834 0.225 86 HD23 LEU 13 HD23 LEU 13 9.252 2.442 1.054 87 H ASN 14 HN ASN 14 14.645 4.326 -1.350 88 HA ASN 14 HA ASN 14 16.715 4.920 0.363 89 HB2 ASN 14 HB2 ASN 14 16.342 3.921 -2.302 90 HB3 ASN 14 HB1 ASN 14 17.775 4.957 -2.247 91 HD21 ASN 14 HD21 ASN 14 16.286 2.039 -1.171 92 HD22 ASN 14 HD22 ASN 14 17.692 1.310 -0.481 93 H GLY 15 HN GLY 15 17.790 6.680 0.877 94 HA2 GLY 15 HA2 GLY 15 18.852 8.748 0.472 95 HA3 GLY 15 HA1 GLY 15 17.841 8.962 -0.952 96 H LEU 16 HN LEU 16 15.623 7.959 0.988 97 HA LEU 16 HA LEU 16 14.955 10.677 1.849 98 HB2 LEU 16 HB2 LEU 16 13.366 8.349 0.910 99 HB3 LEU 16 HB1 LEU 16 12.613 9.443 2.047 100 HG LEU 16 HG LEU 16 11.966 10.115 -0.143 101 HD11 LEU 16 HD11 LEU 16 12.664 11.807 1.579 102 HD12 LEU 16 HD12 LEU 16 12.623 12.372 -0.096 103 HD13 LEU 16 HD13 LEU 16 14.167 11.978 0.665 104 HD21 LEU 16 HD21 LEU 16 13.759 9.014 -1.407 105 HD22 LEU 16 HD22 LEU 16 14.903 10.228 -0.834 106 HD23 LEU 16 HD23 LEU 16 13.569 10.702 -1.886 107 H SER 17 HN SER 17 13.666 10.890 3.787 108 HA SER 17 HA SER 17 14.724 9.353 5.989 109 HB2 SER 17 HB2 SER 17 12.653 11.561 5.930 110 HB3 SER 17 HB1 SER 17 13.495 10.963 7.353 111 HG SER 17 HG SER 17 15.208 12.089 6.820 112 HA PRO 18 HA PRO 18 11.738 6.242 6.576 113 HB2 PRO 18 HB2 PRO 18 11.064 7.571 9.176 114 HB3 PRO 18 HB1 PRO 18 11.379 5.861 8.840 115 HG2 PRO 18 HG2 PRO 18 13.288 7.310 9.927 116 HG3 PRO 18 HG1 PRO 18 13.689 6.221 8.582 117 HD2 PRO 18 HD2 PRO 18 13.361 9.186 8.570 118 HD3 PRO 18 HD1 PRO 18 14.535 8.172 7.706 119 H GLN 19 HN GLN 19 10.473 9.362 7.739 120 HA GLN 19 HA GLN 19 7.743 8.765 7.248 121 HB2 GLN 19 HB2 GLN 19 8.567 10.555 8.781 122 HB3 GLN 19 HB1 GLN 19 9.006 11.494 7.359 123 HG2 GLN 19 HG2 GLN 19 6.923 12.326 7.983 124 HG3 GLN 19 HG1 GLN 19 6.597 11.231 6.638 125 HE21 GLN 19 HE21 GLN 19 4.829 12.152 8.764 126 HE22 GLN 19 HE22 GLN 19 4.250 10.727 9.552 127 H GLN 20 HN GLN 20 10.270 10.173 5.268 128 HA GLN 20 HA GLN 20 8.564 11.113 3.167 129 HB2 GLN 20 HB2 GLN 20 11.515 10.469 3.295 130 HB3 GLN 20 HB1 GLN 20 10.735 11.123 1.858 131 HG2 GLN 20 HG2 GLN 20 10.850 12.470 4.542 132 HG3 GLN 20 HG1 GLN 20 11.904 12.823 3.181 133 HE21 GLN 20 HE21 GLN 20 10.043 14.556 4.599 134 HE22 GLN 20 HE22 GLN 20 8.936 15.149 3.411 135 H GLN 21 HN GLN 21 10.624 8.320 3.696 136 HA GLN 21 HA GLN 21 10.102 6.787 1.447 137 HB2 GLN 21 HB2 GLN 21 10.489 5.957 4.330 138 HB3 GLN 21 HB1 GLN 21 10.603 4.861 2.966 139 HG2 GLN 21 HG2 GLN 21 12.508 6.069 2.115 140 HG3 GLN 21 HG1 GLN 21 12.375 7.262 3.413 141 HE21 GLN 21 HE21 GLN 21 14.434 6.786 4.216 142 HE22 GLN 21 HE22 GLN 21 14.785 5.304 5.043 143 H GLN 22 HN GLN 22 8.278 7.179 4.416 144 HA GLN 22 HA GLN 22 6.289 5.261 3.917 145 HB2 GLN 22 HB2 GLN 22 6.764 6.346 6.108 146 HB3 GLN 22 HB1 GLN 22 6.021 7.799 5.475 147 HG2 GLN 22 HG2 GLN 22 4.276 5.599 5.079 148 HG3 GLN 22 HG1 GLN 22 4.811 5.640 6.750 149 HE21 GLN 22 HE21 GLN 22 2.181 6.143 5.618 150 HE22 GLN 22 HE22 GLN 22 1.732 7.737 6.110 151 H GLN 23 HN GLN 23 6.491 8.716 3.226 152 HA GLN 23 HA GLN 23 3.987 9.216 2.230 153 HB2 GLN 23 HB2 GLN 23 6.617 10.296 1.398 154 HB3 GLN 23 HB1 GLN 23 5.084 10.992 0.896 155 HG2 GLN 23 HG2 GLN 23 4.496 11.445 3.183 156 HG3 GLN 23 HG1 GLN 23 5.959 10.668 3.746 157 HE21 GLN 23 HE21 GLN 23 5.878 12.680 0.909 158 HE22 GLN 23 HE22 GLN 23 6.774 13.999 1.575 159 H THR 24 HN THR 24 6.756 7.898 0.457 160 HA THR 24 HA THR 24 5.675 7.921 -2.119 161 HB THR 24 HB THR 24 7.655 6.207 -0.674 162 HG1 THR 24 HG1 THR 24 7.933 7.941 -2.914 163 HG21 THR 24 HG21 THR 24 6.498 4.762 -2.338 164 HG22 THR 24 HG22 THR 24 8.204 5.027 -2.711 165 HG23 THR 24 HG23 THR 24 6.959 5.908 -3.600 166 H LEU 25 HN LEU 25 5.427 5.448 0.427 167 HA LEU 25 HA LEU 25 3.641 3.787 -1.121 168 HB2 LEU 25 HB2 LEU 25 4.146 3.899 1.835 169 HB3 LEU 25 HB1 LEU 25 3.309 2.614 0.998 170 HG LEU 25 HG LEU 25 6.095 3.221 0.166 171 HD11 LEU 25 HD11 LEU 25 6.103 3.279 2.637 172 HD12 LEU 25 HD12 LEU 25 7.013 1.919 1.969 173 HD13 LEU 25 HD13 LEU 25 5.404 1.659 2.646 174 HD21 LEU 25 HD21 LEU 25 4.437 0.724 0.498 175 HD22 LEU 25 HD22 LEU 25 6.105 0.756 -0.061 176 HD23 LEU 25 HD23 LEU 25 4.844 1.529 -1.017 177 H ALA 26 HN ALA 26 3.427 6.195 1.394 178 HA ALA 26 HA ALA 26 0.621 6.123 1.741 179 HB1 ALA 26 HB1 ALA 26 2.341 8.527 2.270 180 HB2 ALA 26 HB2 ALA 26 2.512 7.065 3.240 181 HB3 ALA 26 HB3 ALA 26 0.963 7.925 3.200 182 H THR 27 HN THR 27 2.146 6.738 -0.928 183 HA THR 27 HA THR 27 0.178 8.660 -1.914 184 HB THR 27 HB THR 27 3.087 8.271 -2.592 185 HG1 THR 27 HG1 THR 27 2.811 9.904 -1.175 186 HG21 THR 27 HG21 THR 27 1.085 9.696 -4.337 187 HG22 THR 27 HG22 THR 27 1.880 8.162 -4.706 188 HG23 THR 27 HG23 THR 27 2.834 9.643 -4.576 189 H LEU 28 HN LEU 28 2.302 5.975 -2.696 190 HA LEU 28 HA LEU 28 1.047 5.188 -5.063 191 HB2 LEU 28 HB2 LEU 28 3.229 4.495 -4.905 192 HB3 LEU 28 HB1 LEU 28 3.056 4.062 -3.223 193 HG LEU 28 HG LEU 28 1.376 2.300 -4.227 194 HD11 LEU 28 HD11 LEU 28 1.695 3.021 -6.526 195 HD12 LEU 28 HD12 LEU 28 2.177 1.339 -6.288 196 HD13 LEU 28 HD13 LEU 28 3.406 2.604 -6.413 197 HD21 LEU 28 HD21 LEU 28 4.331 2.095 -3.880 198 HD22 LEU 28 HD22 LEU 28 3.328 0.692 -4.262 199 HD23 LEU 28 HD23 LEU 28 3.033 1.614 -2.776 200 H VAL 29 HN VAL 29 0.905 4.049 -1.772 201 HA VAL 29 HA VAL 29 -0.748 1.814 -2.274 202 HB VAL 29 HB VAL 29 -0.140 3.371 0.235 203 HG11 VAL 29 HG11 VAL 29 -1.645 0.760 0.063 204 HG12 VAL 29 HG12 VAL 29 -2.395 2.327 0.359 205 HG13 VAL 29 HG13 VAL 29 -1.247 1.664 1.525 206 HG21 VAL 29 HG21 VAL 29 1.668 2.068 -0.832 207 HG22 VAL 29 HG22 VAL 29 0.692 0.609 -0.644 208 HG23 VAL 29 HG23 VAL 29 1.252 1.485 0.781 209 H ALA 30 HN ALA 30 -1.290 5.154 -1.559 210 HA ALA 30 HA ALA 30 -4.130 4.863 -1.271 211 HB1 ALA 30 HB1 ALA 30 -4.058 7.349 -1.287 212 HB2 ALA 30 HB2 ALA 30 -2.310 7.230 -1.484 213 HB3 ALA 30 HB3 ALA 30 -3.081 6.588 -0.030 214 H ALA 31 HN ALA 31 -1.825 5.697 -3.710 215 HA ALA 31 HA ALA 31 -3.585 6.455 -5.769 216 HB1 ALA 31 HB1 ALA 31 -0.827 5.239 -5.715 217 HB2 ALA 31 HB2 ALA 31 -1.288 6.899 -6.097 218 HB3 ALA 31 HB3 ALA 31 -1.653 5.601 -7.236 219 H ALA 32 HN ALA 32 -2.253 3.419 -4.697 220 HA ALA 32 HA ALA 32 -3.517 1.623 -6.376 221 HB1 ALA 32 HB1 ALA 32 -3.225 0.048 -4.460 222 HB2 ALA 32 HB2 ALA 32 -2.733 1.436 -3.477 223 HB3 ALA 32 HB3 ALA 32 -1.772 0.963 -4.878 224 H THR 33 HN THR 33 -4.662 2.978 -3.255 225 HA THR 33 HA THR 33 -7.166 1.567 -3.516 226 HB THR 33 HB THR 33 -6.595 3.833 -1.604 227 HG1 THR 33 HG1 THR 33 -4.978 2.130 -1.478 228 HG21 THR 33 HG21 THR 33 -8.895 3.257 -1.610 229 HG22 THR 33 HG22 THR 33 -8.203 2.439 -0.206 230 HG23 THR 33 HG23 THR 33 -8.537 1.532 -1.685 231 H ALA 34 HN ALA 34 -5.923 4.680 -4.424 232 HA ALA 34 HA ALA 34 -8.379 5.922 -4.992 233 HB1 ALA 34 HB1 ALA 34 -6.284 7.171 -4.993 234 HB2 ALA 34 HB2 ALA 34 -7.076 7.316 -6.565 235 HB3 ALA 34 HB3 ALA 34 -5.700 6.229 -6.367 236 H THR 35 HN THR 35 -6.316 3.689 -6.699 237 HA THR 35 HA THR 35 -7.672 3.559 -9.141 238 HB THR 35 HB THR 35 -5.738 1.872 -7.641 239 HG1 THR 35 HG1 THR 35 -4.854 3.433 -8.926 240 HG21 THR 35 HG21 THR 35 -5.811 0.100 -9.253 241 HG22 THR 35 HG22 THR 35 -7.092 0.917 -10.148 242 HG23 THR 35 HG23 THR 35 -7.407 0.304 -8.518 243 H VAL 36 HN VAL 36 -7.843 1.453 -6.263 244 HA VAL 36 HA VAL 36 -9.561 -0.454 -7.286 245 HB VAL 36 HB VAL 36 -10.161 -0.950 -4.919 246 HG11 VAL 36 HG11 VAL 36 -8.384 -2.194 -5.594 247 HG12 VAL 36 HG12 VAL 36 -7.734 -1.353 -4.190 248 HG13 VAL 36 HG13 VAL 36 -7.349 -0.782 -5.814 249 HG21 VAL 36 HG21 VAL 36 -8.772 1.586 -4.475 250 HG22 VAL 36 HG22 VAL 36 -8.564 0.293 -3.295 251 HG23 VAL 36 HG23 VAL 36 -10.178 0.894 -3.664 252 H LEU 37 HN LEU 37 -10.340 2.667 -5.894 253 HA LEU 37 HA LEU 37 -13.179 1.986 -5.799 254 HB2 LEU 37 HB2 LEU 37 -11.892 4.566 -4.968 255 HB3 LEU 37 HB1 LEU 37 -13.448 3.933 -4.474 256 HG LEU 37 HG LEU 37 -10.822 2.645 -3.781 257 HD11 LEU 37 HD11 LEU 37 -11.085 3.633 -1.581 258 HD12 LEU 37 HD12 LEU 37 -12.513 4.505 -2.136 259 HD13 LEU 37 HD13 LEU 37 -10.931 4.864 -2.832 260 HD21 LEU 37 HD21 LEU 37 -12.155 1.444 -2.122 261 HD22 LEU 37 HD22 LEU 37 -12.743 1.150 -3.759 262 HD23 LEU 37 HD23 LEU 37 -13.607 2.264 -2.700 263 H GLY 38 HN GLY 38 -11.366 2.846 -8.275 264 HA2 GLY 38 HA2 GLY 38 -11.950 3.756 -10.318 265 HA3 GLY 38 HA1 GLY 38 -13.539 4.107 -9.658 266 H HIS 39 HN HIS 39 -10.577 5.238 -8.209 267 HA HIS 39 HA HIS 39 -11.173 7.984 -9.120 268 HB2 HIS 39 HB2 HIS 39 -10.069 7.006 -6.475 269 HB3 HIS 39 HB1 HIS 39 -9.977 8.685 -6.982 270 HD1 HIS 39 HD1 HIS 39 -11.928 10.124 -6.419 271 HD2 HIS 39 HD2 HIS 39 -12.829 6.077 -6.147 272 HE1 HIS 39 HE1 HIS 39 -14.207 10.009 -5.377 273 HE2 HIS 39 HE2 HIS 39 -14.667 7.551 -5.079 274 H HIS 40 HN HIS 40 -8.928 9.291 -8.571 275 HA HIS 40 HA HIS 40 -6.633 7.603 -9.202 276 HB2 HIS 40 HB2 HIS 40 -7.542 8.578 -11.349 277 HB3 HIS 40 HB1 HIS 40 -7.129 10.168 -10.719 278 HD1 HIS 40 HD1 HIS 40 -4.954 10.976 -11.565 279 HD2 HIS 40 HD2 HIS 40 -5.037 6.833 -11.235 280 HE1 HIS 40 HE1 HIS 40 -2.704 10.185 -12.371 281 HE2 HIS 40 HE2 HIS 40 -2.748 7.684 -12.083 282 H THR 41 HN THR 41 -8.023 9.943 -7.325 283 HA THR 41 HA THR 41 -5.534 11.330 -6.746 284 HB THR 41 HB THR 41 -6.979 12.466 -4.985 285 HG1 THR 41 HG1 THR 41 -9.212 12.011 -6.538 286 HG21 THR 41 HG21 THR 41 -6.242 13.655 -6.912 287 HG22 THR 41 HG22 THR 41 -7.956 14.006 -6.665 288 HG23 THR 41 HG23 THR 41 -7.461 12.872 -7.924 289 HA PRO 42 HA PRO 42 -4.836 8.641 -3.199 290 HB2 PRO 42 HB2 PRO 42 -2.316 10.104 -3.050 291 HB3 PRO 42 HB1 PRO 42 -2.581 8.387 -3.354 292 HG2 PRO 42 HG2 PRO 42 -1.660 10.080 -5.260 293 HG3 PRO 42 HG1 PRO 42 -2.662 8.663 -5.631 294 HD2 PRO 42 HD2 PRO 42 -3.474 11.545 -5.420 295 HD3 PRO 42 HD1 PRO 42 -3.962 10.321 -6.611 296 H GLU 43 HN GLU 43 -4.961 11.990 -3.728 297 HA GLU 43 HA GLU 43 -4.623 12.942 -1.080 298 HB2 GLU 43 HB2 GLU 43 -6.077 14.124 -3.440 299 HB3 GLU 43 HB1 GLU 43 -5.740 14.987 -1.943 300 HG2 GLU 43 HG2 GLU 43 -3.695 13.803 -3.767 301 HG3 GLU 43 HG1 GLU 43 -4.164 15.501 -3.756 302 H SER 44 HN SER 44 -7.367 11.962 -3.036 303 HA SER 44 HA SER 44 -9.373 12.574 -1.110 304 HB2 SER 44 HB2 SER 44 -9.772 12.434 -3.575 305 HB3 SER 44 HB1 SER 44 -9.506 10.698 -3.462 306 HG SER 44 HG SER 44 -11.425 10.426 -2.621 307 H ILE 45 HN ILE 45 -7.183 10.027 -1.611 308 HA ILE 45 HA ILE 45 -8.636 8.066 -0.055 309 HB ILE 45 HB ILE 45 -5.801 7.968 -1.071 310 HG12 ILE 45 HG12 ILE 45 -7.293 8.245 -2.946 311 HG13 ILE 45 HG11 ILE 45 -6.738 6.579 -2.898 312 HG21 ILE 45 HG21 ILE 45 -5.871 5.621 -0.712 313 HG22 ILE 45 HG22 ILE 45 -7.594 5.672 -0.329 314 HG23 ILE 45 HG23 ILE 45 -6.423 6.389 0.782 315 HD11 ILE 45 HD11 ILE 45 -9.405 7.546 -1.913 316 HD12 ILE 45 HD12 ILE 45 -8.847 5.873 -1.952 317 HD13 ILE 45 HD13 ILE 45 -9.100 6.756 -3.457 318 H SER 46 HN SER 46 -8.822 9.209 1.922 319 HA SER 46 HA SER 46 -6.610 10.256 3.333 320 HB2 SER 46 HB2 SER 46 -9.101 9.258 4.658 321 HB3 SER 46 HB1 SER 46 -8.114 10.652 5.074 322 HG SER 46 HG SER 46 -8.805 11.527 2.977 323 HA PRO 47 HA PRO 47 -4.817 6.542 4.684 324 HB2 PRO 47 HB2 PRO 47 -3.022 7.484 6.378 325 HB3 PRO 47 HB1 PRO 47 -3.040 8.072 4.714 326 HG2 PRO 47 HG2 PRO 47 -4.005 9.392 7.199 327 HG3 PRO 47 HG1 PRO 47 -3.244 10.108 5.774 328 HD2 PRO 47 HD2 PRO 47 -6.020 9.949 6.349 329 HD3 PRO 47 HD1 PRO 47 -5.275 10.491 4.822 330 H ALA 48 HN ALA 48 -6.807 8.218 6.785 331 HA ALA 48 HA ALA 48 -6.418 6.223 8.873 332 HB1 ALA 48 HB1 ALA 48 -7.113 9.084 9.393 333 HB2 ALA 48 HB2 ALA 48 -5.453 8.497 9.301 334 HB3 ALA 48 HB3 ALA 48 -6.546 7.869 10.543 335 H THR 49 HN THR 49 -8.441 7.331 6.611 336 HA THR 49 HA THR 49 -10.970 7.297 7.851 337 HB THR 49 HB THR 49 -9.987 6.888 5.047 338 HG1 THR 49 HG1 THR 49 -11.810 8.844 5.410 339 HG21 THR 49 HG21 THR 49 -12.864 6.813 5.920 340 HG22 THR 49 HG22 THR 49 -11.919 5.445 5.330 341 HG23 THR 49 HG23 THR 49 -12.277 6.801 4.256 342 H ALA 50 HN ALA 50 -8.991 4.907 6.280 343 HA ALA 50 HA ALA 50 -8.745 2.655 6.765 344 HB1 ALA 50 HB1 ALA 50 -10.518 1.292 7.702 345 HB2 ALA 50 HB2 ALA 50 -11.614 2.677 7.675 346 HB3 ALA 50 HB3 ALA 50 -10.196 2.692 8.728 347 H PHE 51 HN PHE 51 -8.826 1.147 5.334 348 HA PHE 51 HA PHE 51 -9.770 1.539 2.764 349 HB2 PHE 51 HB2 PHE 51 -9.116 -0.983 4.261 350 HB3 PHE 51 HB1 PHE 51 -9.446 -0.948 2.530 351 HD1 PHE 51 HD1 PHE 51 -8.141 1.306 1.517 352 HD2 PHE 51 HD2 PHE 51 -6.914 -1.260 4.657 353 HE1 PHE 51 HE1 PHE 51 -5.807 1.913 1.079 354 HE2 PHE 51 HE2 PHE 51 -4.576 -0.672 4.240 355 HZ PHE 51 HZ PHE 51 -4.011 0.920 2.436 356 H LYS 52 HN LYS 52 -11.183 -0.403 5.350 357 HA LYS 52 HA LYS 52 -13.425 -1.372 4.121 358 HB2 LYS 52 HB2 LYS 52 -13.074 -0.271 6.914 359 HB3 LYS 52 HB1 LYS 52 -14.420 -1.283 6.403 360 HG2 LYS 52 HG2 LYS 52 -12.846 -3.084 5.890 361 HG3 LYS 52 HG1 LYS 52 -11.509 -2.054 6.377 362 HD2 LYS 52 HD2 LYS 52 -13.766 -2.877 8.176 363 HD3 LYS 52 HD1 LYS 52 -12.213 -3.705 8.104 364 HE2 LYS 52 HE2 LYS 52 -11.138 -1.507 8.667 365 HE3 LYS 52 HE1 LYS 52 -12.758 -0.872 8.943 366 HZ1 LYS 52 HZ1 LYS 52 -13.090 -2.426 10.702 367 HZ2 LYS 52 HZ2 LYS 52 -11.625 -1.632 10.983 368 HZ3 LYS 52 HZ3 LYS 52 -11.628 -3.209 10.373 369 H ASP 53 HN ASP 53 -12.839 1.749 5.603 370 HA ASP 53 HA ASP 53 -15.523 2.669 5.229 371 HB2 ASP 53 HB2 ASP 53 -13.000 4.038 6.187 372 HB3 ASP 53 HB1 ASP 53 -14.563 4.852 6.077 373 H LEU 54 HN LEU 54 -12.864 2.363 3.299 374 HA LEU 54 HA LEU 54 -13.316 4.711 1.644 375 HB2 LEU 54 HB2 LEU 54 -11.245 2.562 1.776 376 HB3 LEU 54 HB1 LEU 54 -11.385 3.523 0.324 377 HG LEU 54 HG LEU 54 -10.990 4.730 3.060 378 HD11 LEU 54 HD11 LEU 54 -8.618 4.990 2.373 379 HD12 LEU 54 HD12 LEU 54 -8.935 3.885 1.037 380 HD13 LEU 54 HD13 LEU 54 -9.101 3.328 2.703 381 HD21 LEU 54 HD21 LEU 54 -10.581 5.767 0.269 382 HD22 LEU 54 HD22 LEU 54 -10.195 6.641 1.751 383 HD23 LEU 54 HD23 LEU 54 -11.869 6.229 1.380 384 H GLY 55 HN GLY 55 -14.047 1.330 1.744 385 HA2 GLY 55 HA2 GLY 55 -15.957 0.762 0.241 386 HA3 GLY 55 HA1 GLY 55 -15.008 1.489 -1.050 387 H ILE 56 HN ILE 56 -12.815 0.110 0.867 388 HA ILE 56 HA ILE 56 -12.262 -2.069 -0.836 389 HB ILE 56 HB ILE 56 -11.297 -1.426 1.945 390 HG12 ILE 56 HG12 ILE 56 -10.245 0.134 0.659 391 HG13 ILE 56 HG11 ILE 56 -9.102 -1.183 0.546 392 HG21 ILE 56 HG21 ILE 56 -10.733 -3.732 0.196 393 HG22 ILE 56 HG22 ILE 56 -10.960 -3.651 1.948 394 HG23 ILE 56 HG23 ILE 56 -9.453 -3.085 1.218 395 HD11 ILE 56 HD11 ILE 56 -10.087 -1.825 -1.613 396 HD12 ILE 56 HD12 ILE 56 -9.378 -0.212 -1.601 397 HD13 ILE 56 HD13 ILE 56 -11.127 -0.397 -1.517 398 H ASP 57 HN ASP 57 -13.942 -3.544 -0.999 399 HA ASP 57 HA ASP 57 -14.435 -5.059 1.481 400 HB2 ASP 57 HB2 ASP 57 -16.422 -3.715 0.703 401 HB3 ASP 57 HB1 ASP 57 -16.451 -4.722 -0.741 402 H SER 58 HN SER 58 -12.722 -6.421 0.918 403 HA SER 58 HA SER 58 -11.923 -8.427 0.264 404 HB2 SER 58 HB2 SER 58 -14.548 -8.834 -1.087 405 HB3 SER 58 HB1 SER 58 -13.377 -10.085 -0.715 406 HG SER 58 HG SER 58 -15.218 -8.835 0.915 407 H LEU 59 HN LEU 59 -13.900 -7.463 -2.535 408 HA LEU 59 HA LEU 59 -12.156 -8.495 -4.473 409 HB2 LEU 59 HB2 LEU 59 -14.160 -6.254 -4.653 410 HB3 LEU 59 HB1 LEU 59 -13.314 -6.902 -6.031 411 HG LEU 59 HG LEU 59 -14.403 -9.069 -5.721 412 HD11 LEU 59 HD11 LEU 59 -16.195 -9.367 -4.123 413 HD12 LEU 59 HD12 LEU 59 -15.906 -7.753 -3.471 414 HD13 LEU 59 HD13 LEU 59 -14.677 -9.008 -3.296 415 HD21 LEU 59 HD21 LEU 59 -16.251 -6.699 -5.780 416 HD22 LEU 59 HD22 LEU 59 -16.691 -8.333 -6.281 417 HD23 LEU 59 HD23 LEU 59 -15.445 -7.446 -7.159 418 H THR 60 HN THR 60 -12.619 -5.175 -3.346 419 HA THR 60 HA THR 60 -10.424 -4.246 -4.956 420 HB THR 60 HB THR 60 -10.870 -2.100 -3.535 421 HG1 THR 60 HG1 THR 60 -13.490 -2.878 -3.337 422 HG21 THR 60 HG21 THR 60 -12.567 -1.453 -5.147 423 HG22 THR 60 HG22 THR 60 -12.882 -3.148 -5.522 424 HG23 THR 60 HG23 THR 60 -11.321 -2.429 -5.936 425 H ALA 61 HN ALA 61 -10.773 -5.690 -1.956 426 HA ALA 61 HA ALA 61 -8.403 -4.552 -0.773 427 HB1 ALA 61 HB1 ALA 61 -10.245 -5.542 0.585 428 HB2 ALA 61 HB2 ALA 61 -8.644 -6.189 0.951 429 HB3 ALA 61 HB3 ALA 61 -9.777 -7.131 -0.026 430 H LEU 62 HN LEU 62 -9.300 -7.441 -2.602 431 HA LEU 62 HA LEU 62 -6.684 -8.527 -2.674 432 HB2 LEU 62 HB2 LEU 62 -9.078 -9.536 -3.206 433 HB3 LEU 62 HB1 LEU 62 -8.667 -9.011 -4.817 434 HG LEU 62 HG LEU 62 -7.775 -11.040 -5.075 435 HD11 LEU 62 HD11 LEU 62 -5.480 -11.310 -4.432 436 HD12 LEU 62 HD12 LEU 62 -5.646 -10.091 -3.166 437 HD13 LEU 62 HD13 LEU 62 -5.765 -9.622 -4.862 438 HD21 LEU 62 HD21 LEU 62 -8.884 -11.967 -3.194 439 HD22 LEU 62 HD22 LEU 62 -7.750 -11.216 -2.078 440 HD23 LEU 62 HD23 LEU 62 -7.209 -12.518 -3.139 441 H GLU 63 HN GLU 63 -8.611 -6.515 -4.957 442 HA GLU 63 HA GLU 63 -6.627 -6.315 -6.919 443 HB2 GLU 63 HB2 GLU 63 -8.739 -5.699 -7.628 444 HB3 GLU 63 HB1 GLU 63 -9.134 -4.926 -6.102 445 HG2 GLU 63 HG2 GLU 63 -9.026 -3.178 -7.580 446 HG3 GLU 63 HG1 GLU 63 -7.472 -3.180 -6.751 447 H LEU 64 HN LEU 64 -7.314 -4.474 -3.948 448 HA LEU 64 HA LEU 64 -5.314 -2.537 -4.171 449 HB2 LEU 64 HB2 LEU 64 -7.006 -3.521 -2.108 450 HB3 LEU 64 HB1 LEU 64 -5.353 -3.630 -1.516 451 HG LEU 64 HG LEU 64 -6.728 -1.128 -2.488 452 HD11 LEU 64 HD11 LEU 64 -5.731 -1.889 0.259 453 HD12 LEU 64 HD12 LEU 64 -7.419 -1.976 -0.250 454 HD13 LEU 64 HD13 LEU 64 -6.592 -0.415 -0.191 455 HD21 LEU 64 HD21 LEU 64 -3.942 -1.556 -1.437 456 HD22 LEU 64 HD22 LEU 64 -4.671 0.006 -1.819 457 HD23 LEU 64 HD23 LEU 64 -4.364 -1.170 -3.104 458 H ARG 65 HN ARG 65 -5.330 -5.761 -2.962 459 HA ARG 65 HA ARG 65 -2.695 -5.999 -2.075 460 HB2 ARG 65 HB2 ARG 65 -4.385 -7.603 -1.420 461 HB3 ARG 65 HB1 ARG 65 -4.618 -8.111 -3.091 462 HG2 ARG 65 HG2 ARG 65 -1.935 -8.417 -1.788 463 HG3 ARG 65 HG1 ARG 65 -3.221 -9.573 -1.442 464 HD2 ARG 65 HD2 ARG 65 -3.410 -10.125 -3.787 465 HD3 ARG 65 HD1 ARG 65 -2.242 -8.875 -4.209 466 HE ARG 65 HE ARG 65 -1.028 -10.631 -2.400 467 HH11 ARG 65 HH11 ARG 65 -2.242 -10.627 -5.695 468 HH12 ARG 65 HH12 ARG 65 -1.129 -11.843 -6.232 469 HH21 ARG 65 HH21 ARG 65 0.429 -12.224 -3.114 470 HH22 ARG 65 HH22 ARG 65 0.390 -12.762 -4.763 471 H ASN 66 HN ASN 66 -4.173 -6.950 -5.081 472 HA ASN 66 HA ASN 66 -1.962 -7.926 -6.419 473 HB2 ASN 66 HB2 ASN 66 -4.585 -6.763 -7.277 474 HB3 ASN 66 HB1 ASN 66 -3.413 -7.265 -8.482 475 HD21 ASN 66 HD21 ASN 66 -6.027 -8.377 -7.934 476 HD22 ASN 66 HD22 ASN 66 -5.776 -10.038 -7.518 477 H THR 67 HN THR 67 -3.089 -4.579 -6.120 478 HA THR 67 HA THR 67 -1.076 -3.585 -7.903 479 HB THR 67 HB THR 67 -2.663 -2.111 -5.811 480 HG1 THR 67 HG1 THR 67 -4.064 -2.991 -7.336 481 HG21 THR 67 HG21 THR 67 -1.096 -1.098 -8.182 482 HG22 THR 67 HG22 THR 67 -0.693 -0.852 -6.483 483 HG23 THR 67 HG23 THR 67 -2.141 -0.109 -7.163 484 H LEU 68 HN LEU 68 -1.484 -3.493 -4.376 485 HA LEU 68 HA LEU 68 0.797 -2.159 -3.630 486 HB2 LEU 68 HB2 LEU 68 -0.287 -4.592 -2.222 487 HB3 LEU 68 HB1 LEU 68 0.654 -3.304 -1.508 488 HG LEU 68 HG LEU 68 -2.046 -2.804 -2.705 489 HD11 LEU 68 HD11 LEU 68 -2.000 -4.625 -0.927 490 HD12 LEU 68 HD12 LEU 68 -3.067 -3.255 -0.653 491 HD13 LEU 68 HD13 LEU 68 -1.525 -3.353 0.197 492 HD21 LEU 68 HD21 LEU 68 -0.436 -1.367 -0.595 493 HD22 LEU 68 HD22 LEU 68 -1.997 -0.866 -1.245 494 HD23 LEU 68 HD23 LEU 68 -0.573 -0.877 -2.284 495 H THR 69 HN THR 69 0.454 -5.692 -3.720 496 HA THR 69 HA THR 69 3.099 -6.225 -3.022 497 HB THR 69 HB THR 69 0.988 -7.746 -2.986 498 HG1 THR 69 HG1 THR 69 3.499 -8.836 -3.797 499 HG21 THR 69 HG21 THR 69 0.840 -9.333 -4.845 500 HG22 THR 69 HG22 THR 69 2.072 -8.422 -5.720 501 HG23 THR 69 HG23 THR 69 0.508 -7.685 -5.378 502 H HIS 70 HN HIS 70 1.673 -5.408 -6.062 503 HA HIS 70 HA HIS 70 3.809 -6.369 -7.703 504 HB2 HIS 70 HB2 HIS 70 1.499 -6.008 -8.571 505 HB3 HIS 70 HB1 HIS 70 1.698 -4.285 -8.305 506 HD1 HIS 70 HD1 HIS 70 2.676 -7.033 -10.634 507 HD2 HIS 70 HD2 HIS 70 3.336 -2.956 -10.155 508 HE1 HIS 70 HE1 HIS 70 3.696 -6.252 -12.796 509 HE2 HIS 70 HE2 HIS 70 4.214 -3.812 -12.435 510 H ASN 71 HN ASN 71 2.891 -3.252 -6.319 511 HA ASN 71 HA ASN 71 5.002 -1.838 -7.654 512 HB2 ASN 71 HB2 ASN 71 2.994 -1.025 -5.589 513 HB3 ASN 71 HB1 ASN 71 4.240 0.067 -6.187 514 HD21 ASN 71 HD21 ASN 71 1.387 -1.714 -6.974 515 HD22 ASN 71 HD22 ASN 71 1.013 -0.865 -8.428 516 H THR 72 HN THR 72 4.724 -3.558 -4.734 517 HA THR 72 HA THR 72 7.084 -2.226 -3.627 518 HB THR 72 HB THR 72 6.363 -3.239 -1.479 519 HG1 THR 72 HG1 THR 72 3.901 -3.851 -2.732 520 HG21 THR 72 HG21 THR 72 5.521 -0.965 -2.590 521 HG22 THR 72 HG22 THR 72 4.856 -1.536 -1.058 522 HG23 THR 72 HG23 THR 72 3.971 -1.811 -2.560 523 H GLY 73 HN GLY 73 6.025 -5.008 -5.176 524 HA2 GLY 73 HA2 GLY 73 7.527 -6.513 -6.143 525 HA3 GLY 73 HA1 GLY 73 8.764 -5.876 -5.077 526 H LEU 74 HN LEU 74 6.083 -6.501 -3.361 527 HA LEU 74 HA LEU 74 7.373 -8.665 -2.005 528 HB2 LEU 74 HB2 LEU 74 5.800 -6.553 -1.287 529 HB3 LEU 74 HB1 LEU 74 4.663 -7.875 -1.202 530 HG LEU 74 HG LEU 74 6.297 -9.075 0.272 531 HD11 LEU 74 HD11 LEU 74 7.641 -6.396 0.486 532 HD12 LEU 74 HD12 LEU 74 8.207 -7.643 -0.624 533 HD13 LEU 74 HD13 LEU 74 8.187 -7.952 1.119 534 HD21 LEU 74 HD21 LEU 74 4.343 -7.728 1.084 535 HD22 LEU 74 HD22 LEU 74 5.461 -6.385 1.331 536 HD23 LEU 74 HD23 LEU 74 5.669 -7.885 2.231 537 H ASP 75 HN ASP 75 5.896 -10.460 -1.208 538 HA ASP 75 HA ASP 75 4.176 -11.433 -3.371 539 HB2 ASP 75 HB2 ASP 75 6.504 -12.261 -3.716 540 HB3 ASP 75 HB1 ASP 75 6.397 -13.043 -2.149 541 H LEU 76 HN LEU 76 2.972 -10.534 -1.329 542 HA LEU 76 HA LEU 76 2.440 -12.818 0.444 543 HB2 LEU 76 HB2 LEU 76 2.040 -9.870 0.945 544 HB3 LEU 76 HB1 LEU 76 1.502 -11.138 2.031 545 HG LEU 76 HG LEU 76 4.358 -10.463 1.320 546 HD11 LEU 76 HD11 LEU 76 2.853 -10.314 3.925 547 HD12 LEU 76 HD12 LEU 76 3.307 -8.943 2.914 548 HD13 LEU 76 HD13 LEU 76 4.556 -9.923 3.683 549 HD21 LEU 76 HD21 LEU 76 4.154 -12.864 1.523 550 HD22 LEU 76 HD22 LEU 76 3.276 -12.688 3.043 551 HD23 LEU 76 HD23 LEU 76 4.972 -12.211 2.942 552 HA PRO 77 HA PRO 77 -1.593 -13.183 -1.299 553 HB2 PRO 77 HB2 PRO 77 -2.846 -14.385 0.797 554 HB3 PRO 77 HB1 PRO 77 -1.678 -15.220 -0.232 555 HG2 PRO 77 HG2 PRO 77 -1.277 -13.959 2.453 556 HG3 PRO 77 HG1 PRO 77 -0.709 -15.532 1.860 557 HD2 PRO 77 HD2 PRO 77 0.897 -13.375 1.957 558 HD3 PRO 77 HD1 PRO 77 1.037 -14.599 0.678 559 HA PRO 78 HA PRO 78 -4.604 -10.122 0.158 560 HB2 PRO 78 HB2 PRO 78 -6.758 -11.702 0.924 561 HB3 PRO 78 HB1 PRO 78 -6.446 -11.112 -0.708 562 HG2 PRO 78 HG2 PRO 78 -5.811 -13.770 0.503 563 HG3 PRO 78 HG1 PRO 78 -6.428 -13.395 -1.117 564 HD2 PRO 78 HD2 PRO 78 -3.871 -14.007 -0.766 565 HD3 PRO 78 HD1 PRO 78 -4.336 -12.710 -1.885 566 H THR 79 HN THR 79 -6.628 -10.406 2.145 567 HA THR 79 HA THR 79 -6.946 -9.905 4.257 568 HB THR 79 HB THR 79 -6.010 -11.330 6.026 569 HG1 THR 79 HG1 THR 79 -4.219 -11.998 4.038 570 HG21 THR 79 HG21 THR 79 -7.013 -12.816 3.599 571 HG22 THR 79 HG22 THR 79 -8.004 -12.032 4.830 572 HG23 THR 79 HG23 THR 79 -7.019 -13.433 5.252 573 H LEU 80 HN LEU 80 -4.490 -8.784 2.749 574 HA LEU 80 HA LEU 80 -2.809 -7.786 4.822 575 HB2 LEU 80 HB2 LEU 80 -3.341 -6.625 2.081 576 HB3 LEU 80 HB1 LEU 80 -2.006 -6.203 3.134 577 HG LEU 80 HG LEU 80 -2.436 -8.894 1.831 578 HD11 LEU 80 HD11 LEU 80 -0.453 -8.308 0.521 579 HD12 LEU 80 HD12 LEU 80 -0.430 -6.713 1.273 580 HD13 LEU 80 HD13 LEU 80 -1.779 -7.180 0.238 581 HD21 LEU 80 HD21 LEU 80 -0.172 -7.883 3.549 582 HD22 LEU 80 HD22 LEU 80 -0.199 -9.420 2.684 583 HD23 LEU 80 HD23 LEU 80 -1.346 -9.125 3.991 584 H ILE 81 HN ILE 81 -5.713 -6.665 3.210 585 HA ILE 81 HA ILE 81 -5.792 -4.111 4.498 586 HB ILE 81 HB ILE 81 -8.176 -5.606 3.387 587 HG12 ILE 81 HG12 ILE 81 -6.597 -5.597 1.613 588 HG13 ILE 81 HG11 ILE 81 -7.685 -4.262 1.311 589 HG21 ILE 81 HG21 ILE 81 -7.599 -2.669 3.607 590 HG22 ILE 81 HG22 ILE 81 -8.683 -3.575 4.666 591 HG23 ILE 81 HG23 ILE 81 -9.062 -3.390 2.949 592 HD11 ILE 81 HD11 ILE 81 -6.083 -2.702 2.121 593 HD12 ILE 81 HD12 ILE 81 -5.326 -3.736 0.906 594 HD13 ILE 81 HD13 ILE 81 -5.005 -4.005 2.622 595 H PHE 82 HN PHE 82 -7.023 -7.281 5.198 596 HA PHE 82 HA PHE 82 -8.638 -6.610 7.399 597 HB2 PHE 82 HB2 PHE 82 -7.316 -9.193 6.566 598 HB3 PHE 82 HB1 PHE 82 -8.476 -9.063 7.875 599 HD1 PHE 82 HD1 PHE 82 -10.698 -9.417 7.440 600 HD2 PHE 82 HD2 PHE 82 -8.142 -8.226 4.248 601 HE1 PHE 82 HE1 PHE 82 -12.554 -9.688 5.855 602 HE2 PHE 82 HE2 PHE 82 -9.998 -8.500 2.659 603 HZ PHE 82 HZ PHE 82 -12.208 -9.228 3.459 604 H ASP 83 HN ASP 83 -5.218 -7.180 7.069 605 HA ASP 83 HA ASP 83 -4.846 -7.209 9.968 606 HB2 ASP 83 HB2 ASP 83 -3.520 -8.723 8.419 607 HB3 ASP 83 HB1 ASP 83 -2.696 -7.279 7.848 608 H HIS 84 HN HIS 84 -4.445 -5.164 7.186 609 HA HIS 84 HA HIS 84 -3.613 -2.949 8.938 610 HB2 HIS 84 HB2 HIS 84 -2.545 -3.669 6.212 611 HB3 HIS 84 HB1 HIS 84 -2.317 -2.086 6.923 612 HD1 HIS 84 HD1 HIS 84 -0.610 -1.908 8.885 613 HD2 HIS 84 HD2 HIS 84 -1.023 -5.739 7.323 614 HE1 HIS 84 HE1 HIS 84 1.319 -3.221 9.804 615 HE2 HIS 84 HE2 HIS 84 0.952 -5.572 8.985 616 HA PRO 85 HA PRO 85 -7.445 -2.120 6.732 617 HB2 PRO 85 HB2 PRO 85 -8.821 -0.998 8.711 618 HB3 PRO 85 HB1 PRO 85 -8.417 -2.719 8.743 619 HG2 PRO 85 HG2 PRO 85 -7.127 -0.442 10.191 620 HG3 PRO 85 HG1 PRO 85 -7.495 -2.075 10.773 621 HD2 PRO 85 HD2 PRO 85 -5.016 -1.218 9.844 622 HD3 PRO 85 HD1 PRO 85 -5.534 -2.910 9.971 623 H THR 86 HN THR 86 -5.106 0.181 7.421 624 HA THR 86 HA THR 86 -6.830 2.209 6.198 625 HB THR 86 HB THR 86 -5.729 3.984 7.445 626 HG1 THR 86 HG1 THR 86 -4.542 2.762 9.434 627 HG21 THR 86 HG21 THR 86 -6.838 1.829 9.244 628 HG22 THR 86 HG22 THR 86 -7.753 3.102 8.436 629 HG23 THR 86 HG23 THR 86 -6.606 3.513 9.709 630 HA PRO 87 HA PRO 87 -3.618 2.658 3.128 631 HB2 PRO 87 HB2 PRO 87 -3.823 5.590 3.483 632 HB3 PRO 87 HB1 PRO 87 -3.948 4.620 2.017 633 HG2 PRO 87 HG2 PRO 87 -6.124 5.673 3.158 634 HG3 PRO 87 HG1 PRO 87 -6.159 4.077 2.388 635 HD2 PRO 87 HD2 PRO 87 -6.107 4.784 5.289 636 HD3 PRO 87 HD1 PRO 87 -6.935 3.448 4.464 637 H HIS 88 HN HIS 88 -3.470 4.580 6.053 638 HA HIS 88 HA HIS 88 -0.671 4.956 6.168 639 HB2 HIS 88 HB2 HIS 88 -2.266 6.146 7.620 640 HB3 HIS 88 HB1 HIS 88 -2.712 4.634 8.387 641 HD1 HIS 88 HD1 HIS 88 0.420 6.773 7.974 642 HD2 HIS 88 HD2 HIS 88 -1.383 4.180 10.674 643 HE1 HIS 88 HE1 HIS 88 1.892 6.785 10.010 644 HE2 HIS 88 HE2 HIS 88 0.703 5.325 11.681 645 H ALA 89 HN ALA 89 -2.774 2.481 7.603 646 HA ALA 89 HA ALA 89 -0.840 0.873 8.771 647 HB1 ALA 89 HB1 ALA 89 -2.515 -0.900 8.720 648 HB2 ALA 89 HB2 ALA 89 -3.475 0.047 7.580 649 HB3 ALA 89 HB3 ALA 89 -3.214 0.644 9.220 650 H LEU 90 HN LEU 90 -2.425 0.259 5.592 651 HA LEU 90 HA LEU 90 -0.922 -1.908 4.812 652 HB2 LEU 90 HB2 LEU 90 -2.750 -0.195 3.623 653 HB3 LEU 90 HB1 LEU 90 -1.326 -0.038 2.643 654 HG LEU 90 HG LEU 90 -1.312 -2.362 2.113 655 HD11 LEU 90 HD11 LEU 90 -2.034 -3.270 4.247 656 HD12 LEU 90 HD12 LEU 90 -3.047 -3.880 2.944 657 HD13 LEU 90 HD13 LEU 90 -3.647 -2.603 4.002 658 HD21 LEU 90 HD21 LEU 90 -2.736 -0.985 0.752 659 HD22 LEU 90 HD22 LEU 90 -4.057 -1.147 1.910 660 HD23 LEU 90 HD23 LEU 90 -3.508 -2.550 1.002 661 H THR 91 HN THR 91 -0.238 1.497 4.419 662 HA THR 91 HA THR 91 2.102 1.236 2.962 663 HB THR 91 HB THR 91 1.036 3.366 4.803 664 HG1 THR 91 HG1 THR 91 0.044 3.576 2.923 665 HG21 THR 91 HG21 THR 91 3.728 3.291 3.504 666 HG22 THR 91 HG22 THR 91 3.294 3.762 5.145 667 HG23 THR 91 HG23 THR 91 2.899 4.820 3.790 668 H GLN 92 HN GLN 92 1.535 1.445 6.448 669 HA GLN 92 HA GLN 92 4.168 1.306 7.341 670 HB2 GLN 92 HB2 GLN 92 1.606 0.308 8.573 671 HB3 GLN 92 HB1 GLN 92 3.136 0.326 9.430 672 HG2 GLN 92 HG2 GLN 92 3.109 2.864 8.686 673 HG3 GLN 92 HG1 GLN 92 1.375 2.567 8.628 674 HE21 GLN 92 HE21 GLN 92 1.494 0.592 10.782 675 HE22 GLN 92 HE22 GLN 92 1.694 1.498 12.239 676 H HIS 93 HN HIS 93 1.990 -1.206 6.267 677 HA HIS 93 HA HIS 93 3.465 -3.455 7.102 678 HB2 HIS 93 HB2 HIS 93 1.202 -3.761 6.430 679 HB3 HIS 93 HB1 HIS 93 1.483 -3.009 4.867 680 HD1 HIS 93 HD1 HIS 93 2.545 -6.152 6.741 681 HD2 HIS 93 HD2 HIS 93 1.889 -4.779 2.867 682 HE1 HIS 93 HE1 HIS 93 2.799 -8.163 5.261 683 HE2 HIS 93 HE2 HIS 93 2.176 -7.351 2.964 684 H LEU 94 HN LEU 94 3.418 -1.822 3.910 685 HA LEU 94 HA LEU 94 5.544 -3.501 2.902 686 HB2 LEU 94 HB2 LEU 94 4.328 -0.955 1.804 687 HB3 LEU 94 HB1 LEU 94 5.373 -2.057 0.924 688 HG LEU 94 HG LEU 94 2.762 -2.961 2.104 689 HD11 LEU 94 HD11 LEU 94 2.499 -1.014 0.513 690 HD12 LEU 94 HD12 LEU 94 1.600 -2.487 0.158 691 HD13 LEU 94 HD13 LEU 94 3.068 -2.117 -0.752 692 HD21 LEU 94 HD21 LEU 94 2.943 -4.739 0.464 693 HD22 LEU 94 HD22 LEU 94 4.423 -4.670 1.417 694 HD23 LEU 94 HD23 LEU 94 4.397 -4.008 -0.225 695 H HIS 95 HN HIS 95 5.375 -0.510 4.638 696 HA HIS 95 HA HIS 95 7.994 0.437 3.852 697 HB2 HIS 95 HB2 HIS 95 6.149 1.942 4.694 698 HB3 HIS 95 HB1 HIS 95 6.356 1.211 6.281 699 HD1 HIS 95 HD1 HIS 95 8.587 1.767 7.551 700 HD2 HIS 95 HD2 HIS 95 8.020 3.864 4.008 701 HE1 HIS 95 HE1 HIS 95 10.224 3.664 7.624 702 HE2 HIS 95 HE2 HIS 95 9.658 5.059 5.613 703 H THR 96 HN THR 96 6.588 -1.754 6.103 704 HA THR 96 HA THR 96 8.794 -1.871 7.918 705 HB THR 96 HB THR 96 6.142 -3.201 7.546 706 HG1 THR 96 HG1 THR 96 6.326 -1.344 8.850 707 HG21 THR 96 HG21 THR 96 8.275 -4.294 9.358 708 HG22 THR 96 HG22 THR 96 7.639 -5.064 7.905 709 HG23 THR 96 HG23 THR 96 6.587 -4.809 9.297 710 H ARG 97 HN ARG 97 7.440 -3.651 5.214 711 HA ARG 97 HA ARG 97 9.128 -5.878 5.339 712 HB2 ARG 97 HB2 ARG 97 7.443 -4.680 3.185 713 HB3 ARG 97 HB1 ARG 97 8.395 -6.118 2.887 714 HG2 ARG 97 HG2 ARG 97 6.411 -5.808 5.098 715 HG3 ARG 97 HG1 ARG 97 6.053 -6.558 3.540 716 HD2 ARG 97 HD2 ARG 97 8.270 -7.481 5.365 717 HD3 ARG 97 HD1 ARG 97 6.634 -8.132 5.404 718 HE ARG 97 HE ARG 97 7.099 -8.625 2.926 719 HH11 ARG 97 HH11 ARG 97 9.538 -8.725 5.438 720 HH12 ARG 97 HH12 ARG 97 10.456 -9.974 4.657 721 HH21 ARG 97 HH21 ARG 97 8.316 -10.264 1.905 722 HH22 ARG 97 HH22 ARG 97 9.781 -10.825 2.643 723 H LEU 98 HN LEU 98 9.784 -2.726 4.363 724 HA LEU 98 HA LEU 98 12.065 -3.417 2.764 725 HB2 LEU 98 HB2 LEU 98 10.920 -0.902 3.784 726 HB3 LEU 98 HB1 LEU 98 12.579 -0.901 3.233 727 HG LEU 98 HG LEU 98 11.806 -0.512 1.177 728 HD11 LEU 98 HD11 LEU 98 10.532 -3.240 1.373 729 HD12 LEU 98 HD12 LEU 98 12.206 -2.915 0.904 730 HD13 LEU 98 HD13 LEU 98 10.881 -2.354 -0.113 731 HD21 LEU 98 HD21 LEU 98 9.745 0.279 2.183 732 HD22 LEU 98 HD22 LEU 98 9.100 -1.362 2.123 733 HD23 LEU 98 HD23 LEU 98 9.466 -0.501 0.627 734 H THR 99 HN THR 99 11.586 -3.614 6.045 735 HA THR 99 HA THR 99 14.399 -2.969 6.584 736 HB THR 99 HB THR 99 13.182 -1.033 7.139 737 HG1 THR 99 HG1 THR 99 14.606 -2.374 8.920 738 HG21 THR 99 HG21 THR 99 11.434 -1.008 8.895 739 HG22 THR 99 HG22 THR 99 11.408 -2.770 8.794 740 HG23 THR 99 HG23 THR 99 10.972 -1.795 7.381 741 H GLN 100 HN GLN 100 12.036 -5.224 6.841 742 HA GLN 100 HA GLN 100 13.542 -6.563 8.962 743 HB2 GLN 100 HB2 GLN 100 11.322 -7.568 9.685 744 HB3 GLN 100 HB1 GLN 100 11.603 -5.878 10.059 745 HG2 GLN 100 HG2 GLN 100 9.399 -6.010 9.329 746 HG3 GLN 100 HG1 GLN 100 10.321 -5.299 8.004 747 HE21 GLN 100 HE21 GLN 100 8.592 -8.112 9.126 748 HE22 GLN 100 HE22 GLN 100 8.449 -8.884 7.585 749 H SER 101 HN SER 101 13.420 -6.639 5.946 750 HA SER 101 HA SER 101 12.422 -9.330 5.474 751 HB2 SER 101 HB2 SER 101 13.180 -8.662 3.054 752 HB3 SER 101 HB1 SER 101 11.699 -7.990 3.730 753 HG SER 101 HG SER 101 12.562 -6.114 3.423 754 H HIS 102 HN HIS 102 13.751 -10.829 4.265 755 HA HIS 102 HA HIS 102 16.619 -10.459 4.715 756 HB2 HIS 102 HB2 HIS 102 15.016 -12.900 5.434 757 HB3 HIS 102 HB1 HIS 102 16.758 -12.878 5.370 758 HD1 HIS 102 HD1 HIS 102 17.968 -12.076 7.428 759 HD2 HIS 102 HD2 HIS 102 13.908 -11.206 7.520 760 HE1 HIS 102 HE1 HIS 102 17.510 -11.226 9.746 761 HE2 HIS 102 HE2 HIS 102 15.023 -10.842 9.822 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 6.585 -6.328 -14.881 2 H2 GLY 1 HT2 GLY 1 6.608 -7.642 -15.947 3 H3 GLY 1 HT3 GLY 1 7.819 -7.482 -14.781 4 HA2 GLY 1 HA1 GLY 1 4.952 -7.995 -14.253 5 HA3 GLY 1 HA2 GLY 1 6.250 -9.172 -14.121 6 H ALA 2 HN ALA 2 6.221 -9.602 -11.991 7 HA ALA 2 HA ALA 2 6.920 -7.388 -10.201 8 HB1 ALA 2 HB1 ALA 2 4.531 -7.806 -9.902 9 HB2 ALA 2 HB2 ALA 2 5.439 -8.273 -8.464 10 HB3 ALA 2 HB3 ALA 2 4.863 -9.509 -9.583 11 H ALA 3 HN ALA 3 8.734 -9.066 -11.352 12 HA ALA 3 HA ALA 3 9.385 -11.377 -9.864 13 HB1 ALA 3 HB1 ALA 3 10.337 -10.707 -12.111 14 HB2 ALA 3 HB2 ALA 3 11.505 -11.298 -10.928 15 HB3 ALA 3 HB3 ALA 3 11.364 -9.566 -11.231 16 H SER 4 HN SER 4 10.475 -8.040 -9.685 17 HA SER 4 HA SER 4 11.196 -8.287 -6.914 18 HB2 SER 4 HB2 SER 4 13.589 -7.522 -7.531 19 HB3 SER 4 HB1 SER 4 13.195 -9.227 -7.693 20 HG SER 4 HG SER 4 14.187 -8.649 -9.569 21 H ALA 5 HN ALA 5 9.320 -6.675 -7.677 22 HA ALA 5 HA ALA 5 10.350 -4.077 -8.471 23 HB1 ALA 5 HB1 ALA 5 7.561 -4.884 -7.638 24 HB2 ALA 5 HB2 ALA 5 8.166 -4.834 -9.293 25 HB3 ALA 5 HB3 ALA 5 8.026 -3.345 -8.361 26 H ALA 6 HN ALA 6 10.402 -5.746 -5.676 27 HA ALA 6 HA ALA 6 9.752 -3.714 -3.786 28 HB1 ALA 6 HB1 ALA 6 11.537 -6.134 -3.532 29 HB2 ALA 6 HB2 ALA 6 9.820 -6.043 -3.132 30 HB3 ALA 6 HB3 ALA 6 10.995 -5.121 -2.194 31 H THR 7 HN THR 7 12.920 -4.895 -5.026 32 HA THR 7 HA THR 7 14.343 -2.689 -4.106 33 HB THR 7 HB THR 7 15.413 -4.747 -4.847 34 HG1 THR 7 HG1 THR 7 16.401 -2.468 -5.005 35 HG21 THR 7 HG21 THR 7 15.769 -5.186 -7.238 36 HG22 THR 7 HG22 THR 7 14.712 -3.830 -7.635 37 HG23 THR 7 HG23 THR 7 14.058 -5.248 -6.812 38 H ASP 8 HN ASP 8 11.801 -2.521 -6.242 39 HA ASP 8 HA ASP 8 12.926 -0.262 -7.703 40 HB2 ASP 8 HB2 ASP 8 10.709 -2.110 -8.161 41 HB3 ASP 8 HB1 ASP 8 10.277 -0.415 -8.368 42 H LEU 9 HN LEU 9 10.538 -1.302 -5.410 43 HA LEU 9 HA LEU 9 9.276 1.195 -5.044 44 HB2 LEU 9 HB2 LEU 9 8.153 -0.717 -4.215 45 HB3 LEU 9 HB1 LEU 9 9.555 -1.237 -3.306 46 HG LEU 9 HG LEU 9 9.332 0.863 -1.944 47 HD11 LEU 9 HD11 LEU 9 7.171 1.980 -1.936 48 HD12 LEU 9 HD12 LEU 9 6.645 0.980 -3.292 49 HD13 LEU 9 HD13 LEU 9 7.984 2.129 -3.503 50 HD21 LEU 9 HD21 LEU 9 7.011 -1.034 -1.770 51 HD22 LEU 9 HD22 LEU 9 7.728 -0.090 -0.468 52 HD23 LEU 9 HD23 LEU 9 8.642 -1.395 -1.217 53 H ALA 10 HN ALA 10 11.510 -0.638 -3.086 54 HA ALA 10 HA ALA 10 12.319 1.437 -1.351 55 HB1 ALA 10 HB1 ALA 10 13.778 -1.056 -2.200 56 HB2 ALA 10 HB2 ALA 10 12.734 -0.854 -0.788 57 HB3 ALA 10 HB3 ALA 10 14.277 0.001 -0.879 58 H ALA 11 HN ALA 11 12.764 1.256 -4.624 59 HA ALA 11 HA ALA 11 15.335 2.562 -4.735 60 HB1 ALA 11 HB1 ALA 11 14.765 1.183 -6.595 61 HB2 ALA 11 HB2 ALA 11 14.741 2.860 -7.144 62 HB3 ALA 11 HB3 ALA 11 13.225 2.017 -6.805 63 H ARG 12 HN ARG 12 11.860 3.412 -5.023 64 HA ARG 12 HA ARG 12 12.173 6.184 -5.337 65 HB2 ARG 12 HB2 ARG 12 10.081 4.396 -4.174 66 HB3 ARG 12 HB1 ARG 12 9.917 6.125 -3.984 67 HG2 ARG 12 HG2 ARG 12 8.636 5.708 -5.821 68 HG3 ARG 12 HG1 ARG 12 10.178 6.137 -6.555 69 HD2 ARG 12 HD2 ARG 12 9.824 3.306 -5.921 70 HD3 ARG 12 HD1 ARG 12 8.742 3.932 -7.166 71 HE ARG 12 HE ARG 12 11.546 4.585 -7.510 72 HH11 ARG 12 HH11 ARG 12 8.961 2.349 -8.260 73 HH12 ARG 12 HH12 ARG 12 9.706 1.777 -9.715 74 HH21 ARG 12 HH21 ARG 12 12.533 3.839 -9.422 75 HH22 ARG 12 HH22 ARG 12 11.740 2.628 -10.382 76 H LEU 13 HN LEU 13 12.414 4.052 -2.631 77 HA LEU 13 HA LEU 13 12.028 6.092 -0.630 78 HB2 LEU 13 HB2 LEU 13 12.507 3.155 -0.621 79 HB3 LEU 13 HB1 LEU 13 12.701 4.063 0.859 80 HG LEU 13 HG LEU 13 10.392 4.652 0.906 81 HD11 LEU 13 HD11 LEU 13 8.854 3.781 -0.899 82 HD12 LEU 13 HD12 LEU 13 10.314 3.657 -1.898 83 HD13 LEU 13 HD13 LEU 13 9.812 5.221 -1.241 84 HD21 LEU 13 HD21 LEU 13 9.302 2.485 0.965 85 HD22 LEU 13 HD22 LEU 13 10.906 2.427 1.696 86 HD23 LEU 13 HD23 LEU 13 10.652 1.784 0.075 87 H ASN 14 HN ASN 14 14.561 3.960 -1.710 88 HA ASN 14 HA ASN 14 16.675 4.857 -0.173 89 HB2 ASN 14 HB2 ASN 14 16.294 3.566 -2.799 90 HB3 ASN 14 HB1 ASN 14 17.897 4.264 -2.500 91 HD21 ASN 14 HD21 ASN 14 17.035 1.488 -2.800 92 HD22 ASN 14 HD22 ASN 14 17.497 0.669 -1.350 93 H GLY 15 HN GLY 15 17.669 6.725 -0.007 94 HA2 GLY 15 HA2 GLY 15 18.616 8.725 -0.941 95 HA3 GLY 15 HA1 GLY 15 17.370 8.687 -2.182 96 H LEU 16 HN LEU 16 15.561 7.853 0.197 97 HA LEU 16 HA LEU 16 14.916 10.615 0.959 98 HB2 LEU 16 HB2 LEU 16 13.240 8.166 0.561 99 HB3 LEU 16 HB1 LEU 16 12.659 9.492 1.534 100 HG LEU 16 HG LEU 16 13.470 9.702 -1.356 101 HD11 LEU 16 HD11 LEU 16 11.432 8.371 -1.056 102 HD12 LEU 16 HD12 LEU 16 11.083 9.935 -1.790 103 HD13 LEU 16 HD13 LEU 16 10.734 9.664 -0.084 104 HD21 LEU 16 HD21 LEU 16 12.248 11.907 -1.053 105 HD22 LEU 16 HD22 LEU 16 13.844 11.759 -0.316 106 HD23 LEU 16 HD23 LEU 16 12.394 11.613 0.690 107 H SER 17 HN SER 17 13.967 10.950 3.031 108 HA SER 17 HA SER 17 15.186 9.485 5.184 109 HB2 SER 17 HB2 SER 17 13.102 11.679 5.169 110 HB3 SER 17 HB1 SER 17 13.950 11.095 6.594 111 HG SER 17 HG SER 17 15.628 11.808 4.546 112 HA PRO 18 HA PRO 18 12.402 6.271 6.033 113 HB2 PRO 18 HB2 PRO 18 11.914 7.591 8.677 114 HB3 PRO 18 HB1 PRO 18 12.271 5.895 8.322 115 HG2 PRO 18 HG2 PRO 18 14.207 7.428 9.217 116 HG3 PRO 18 HG1 PRO 18 14.528 6.354 7.842 117 HD2 PRO 18 HD2 PRO 18 14.056 9.302 7.862 118 HD3 PRO 18 HD1 PRO 18 15.196 8.344 6.892 119 H GLN 19 HN GLN 19 11.071 9.308 7.318 120 HA GLN 19 HA GLN 19 8.348 8.516 7.076 121 HB2 GLN 19 HB2 GLN 19 9.184 10.353 8.555 122 HB3 GLN 19 HB1 GLN 19 9.387 11.339 7.112 123 HG2 GLN 19 HG2 GLN 19 7.305 11.938 8.033 124 HG3 GLN 19 HG1 GLN 19 6.979 10.928 6.621 125 HE21 GLN 19 HE21 GLN 19 6.828 11.144 10.075 126 HE22 GLN 19 HE22 GLN 19 5.866 9.728 10.321 127 H GLN 20 HN GLN 20 10.576 10.076 4.867 128 HA GLN 20 HA GLN 20 8.582 10.844 2.957 129 HB2 GLN 20 HB2 GLN 20 11.568 10.535 2.771 130 HB3 GLN 20 HB1 GLN 20 10.575 11.051 1.411 131 HG2 GLN 20 HG2 GLN 20 9.728 12.896 2.934 132 HG3 GLN 20 HG1 GLN 20 11.036 12.438 4.007 133 HE21 GLN 20 HE21 GLN 20 10.198 13.895 0.991 134 HE22 GLN 20 HE22 GLN 20 11.756 14.569 0.652 135 H GLN 21 HN GLN 21 10.840 8.205 3.369 136 HA GLN 21 HA GLN 21 10.232 6.651 1.150 137 HB2 GLN 21 HB2 GLN 21 10.966 5.869 3.982 138 HB3 GLN 21 HB1 GLN 21 10.946 4.737 2.638 139 HG2 GLN 21 HG2 GLN 21 12.644 6.050 1.501 140 HG3 GLN 21 HG1 GLN 21 12.671 7.204 2.834 141 HE21 GLN 21 HE21 GLN 21 12.336 4.985 4.792 142 HE22 GLN 21 HE22 GLN 21 13.890 4.244 4.908 143 H GLN 22 HN GLN 22 8.616 7.013 4.232 144 HA GLN 22 HA GLN 22 6.587 5.090 3.831 145 HB2 GLN 22 HB2 GLN 22 7.163 6.109 6.007 146 HB3 GLN 22 HB1 GLN 22 6.475 7.612 5.434 147 HG2 GLN 22 HG2 GLN 22 4.587 5.534 5.058 148 HG3 GLN 22 HG1 GLN 22 5.211 5.473 6.700 149 HE21 GLN 22 HE21 GLN 22 5.001 8.439 4.889 150 HE22 GLN 22 HE22 GLN 22 3.730 9.148 5.816 151 H GLN 23 HN GLN 23 6.705 8.577 3.240 152 HA GLN 23 HA GLN 23 4.176 9.088 2.359 153 HB2 GLN 23 HB2 GLN 23 6.773 10.165 1.419 154 HB3 GLN 23 HB1 GLN 23 5.226 10.882 0.994 155 HG2 GLN 23 HG2 GLN 23 4.757 11.408 3.247 156 HG3 GLN 23 HG1 GLN 23 6.110 10.460 3.824 157 HE21 GLN 23 HE21 GLN 23 6.929 12.248 4.936 158 HE22 GLN 23 HE22 GLN 23 7.725 13.544 4.113 159 H THR 24 HN THR 24 6.852 7.849 0.406 160 HA THR 24 HA THR 24 5.618 7.934 -2.099 161 HB THR 24 HB THR 24 7.722 6.198 -0.872 162 HG1 THR 24 HG1 THR 24 7.849 8.537 -1.749 163 HG21 THR 24 HG21 THR 24 6.441 4.849 -2.556 164 HG22 THR 24 HG22 THR 24 8.140 5.106 -2.971 165 HG23 THR 24 HG23 THR 24 6.883 6.052 -3.771 166 H LEU 25 HN LEU 25 5.516 5.423 0.403 167 HA LEU 25 HA LEU 25 3.721 3.723 -1.093 168 HB2 LEU 25 HB2 LEU 25 4.399 3.863 1.826 169 HB3 LEU 25 HB1 LEU 25 3.443 2.595 1.091 170 HG LEU 25 HG LEU 25 6.182 3.075 0.044 171 HD11 LEU 25 HD11 LEU 25 5.588 1.562 2.580 172 HD12 LEU 25 HD12 LEU 25 6.349 3.151 2.512 173 HD13 LEU 25 HD13 LEU 25 7.161 1.752 1.799 174 HD21 LEU 25 HD21 LEU 25 6.065 0.635 -0.210 175 HD22 LEU 25 HD22 LEU 25 4.714 1.436 -1.003 176 HD23 LEU 25 HD23 LEU 25 4.478 0.635 0.550 177 H ALA 26 HN ALA 26 3.564 6.076 1.471 178 HA ALA 26 HA ALA 26 0.787 5.937 1.954 179 HB1 ALA 26 HB1 ALA 26 2.690 6.854 3.411 180 HB2 ALA 26 HB2 ALA 26 1.167 7.756 3.410 181 HB3 ALA 26 HB3 ALA 26 2.539 8.334 2.459 182 H THR 27 HN THR 27 2.158 6.687 -0.774 183 HA THR 27 HA THR 27 0.054 8.547 -1.591 184 HB THR 27 HB THR 27 2.961 8.415 -2.322 185 HG1 THR 27 HG1 THR 27 2.112 9.947 -0.781 186 HG21 THR 27 HG21 THR 27 0.846 9.650 -4.083 187 HG22 THR 27 HG22 THR 27 1.782 8.197 -4.449 188 HG23 THR 27 HG23 THR 27 2.595 9.759 -4.309 189 H LEU 28 HN LEU 28 2.259 5.982 -2.547 190 HA LEU 28 HA LEU 28 0.996 5.227 -4.918 191 HB2 LEU 28 HB2 LEU 28 3.175 4.544 -4.816 192 HB3 LEU 28 HB1 LEU 28 3.050 4.107 -3.129 193 HG LEU 28 HG LEU 28 1.370 2.318 -4.146 194 HD11 LEU 28 HD11 LEU 28 3.444 2.670 -6.283 195 HD12 LEU 28 HD12 LEU 28 1.725 3.029 -6.436 196 HD13 LEU 28 HD13 LEU 28 2.259 1.364 -6.185 197 HD21 LEU 28 HD21 LEU 28 3.356 0.742 -4.134 198 HD22 LEU 28 HD22 LEU 28 3.000 1.650 -2.657 199 HD23 LEU 28 HD23 LEU 28 4.320 2.166 -3.718 200 H VAL 29 HN VAL 29 0.869 4.005 -1.655 201 HA VAL 29 HA VAL 29 -0.763 1.767 -2.193 202 HB VAL 29 HB VAL 29 -0.216 3.325 0.328 203 HG11 VAL 29 HG11 VAL 29 -1.343 1.604 1.592 204 HG12 VAL 29 HG12 VAL 29 -1.722 0.714 0.116 205 HG13 VAL 29 HG13 VAL 29 -2.472 2.282 0.417 206 HG21 VAL 29 HG21 VAL 29 1.606 2.006 -0.719 207 HG22 VAL 29 HG22 VAL 29 0.622 0.553 -0.516 208 HG23 VAL 29 HG23 VAL 29 1.172 1.451 0.899 209 H ALA 30 HN ALA 30 -1.359 5.082 -1.443 210 HA ALA 30 HA ALA 30 -4.199 4.821 -1.241 211 HB1 ALA 30 HB1 ALA 30 -2.320 7.134 -1.451 212 HB2 ALA 30 HB2 ALA 30 -3.196 6.571 -0.027 213 HB3 ALA 30 HB3 ALA 30 -4.066 7.322 -1.365 214 H ALA 31 HN ALA 31 -1.850 5.616 -3.655 215 HA ALA 31 HA ALA 31 -3.554 6.384 -5.750 216 HB1 ALA 31 HB1 ALA 31 -1.626 5.654 -7.188 217 HB2 ALA 31 HB2 ALA 31 -0.851 5.031 -5.723 218 HB3 ALA 31 HB3 ALA 31 -1.178 6.753 -5.882 219 H ALA 32 HN ALA 32 -2.262 3.333 -4.668 220 HA ALA 32 HA ALA 32 -3.539 1.548 -6.351 221 HB1 ALA 32 HB1 ALA 32 -3.352 0.022 -4.322 222 HB2 ALA 32 HB2 ALA 32 -2.676 1.425 -3.478 223 HB3 ALA 32 HB3 ALA 32 -1.862 0.769 -4.898 224 H THR 33 HN THR 33 -4.693 2.927 -3.243 225 HA THR 33 HA THR 33 -7.207 1.534 -3.491 226 HB THR 33 HB THR 33 -6.593 3.815 -1.609 227 HG1 THR 33 HG1 THR 33 -5.015 2.089 -1.458 228 HG21 THR 33 HG21 THR 33 -8.894 3.330 -1.545 229 HG22 THR 33 HG22 THR 33 -8.216 2.429 -0.185 230 HG23 THR 33 HG23 THR 33 -8.619 1.594 -1.691 231 H ALA 34 HN ALA 34 -5.936 4.577 -4.516 232 HA ALA 34 HA ALA 34 -8.381 5.878 -5.024 233 HB1 ALA 34 HB1 ALA 34 -7.095 7.257 -6.600 234 HB2 ALA 34 HB2 ALA 34 -5.748 6.120 -6.499 235 HB3 ALA 34 HB3 ALA 34 -6.223 7.050 -5.077 236 H THR 35 HN THR 35 -6.466 3.510 -6.697 237 HA THR 35 HA THR 35 -7.877 3.481 -9.147 238 HB THR 35 HB THR 35 -5.793 1.874 -7.800 239 HG1 THR 35 HG1 THR 35 -4.862 3.108 -9.247 240 HG21 THR 35 HG21 THR 35 -5.950 0.001 -9.278 241 HG22 THR 35 HG22 THR 35 -7.328 0.718 -10.113 242 HG23 THR 35 HG23 THR 35 -7.489 0.199 -8.429 243 H VAL 36 HN VAL 36 -7.951 1.399 -6.260 244 HA VAL 36 HA VAL 36 -9.617 -0.588 -7.214 245 HB VAL 36 HB VAL 36 -10.187 -1.018 -4.820 246 HG11 VAL 36 HG11 VAL 36 -8.374 -2.224 -5.489 247 HG12 VAL 36 HG12 VAL 36 -7.739 -1.324 -4.113 248 HG13 VAL 36 HG13 VAL 36 -7.386 -0.785 -5.758 249 HG21 VAL 36 HG21 VAL 36 -10.256 0.946 -3.708 250 HG22 VAL 36 HG22 VAL 36 -8.795 1.552 -4.483 251 HG23 VAL 36 HG23 VAL 36 -8.681 0.318 -3.228 252 H LEU 37 HN LEU 37 -10.468 2.507 -5.813 253 HA LEU 37 HA LEU 37 -13.267 1.786 -5.632 254 HB2 LEU 37 HB2 LEU 37 -12.031 4.487 -5.192 255 HB3 LEU 37 HB1 LEU 37 -13.570 3.906 -4.590 256 HG LEU 37 HG LEU 37 -10.893 2.791 -3.775 257 HD11 LEU 37 HD11 LEU 37 -11.119 5.086 -3.066 258 HD12 LEU 37 HD12 LEU 37 -11.232 3.993 -1.689 259 HD13 LEU 37 HD13 LEU 37 -12.691 4.733 -2.350 260 HD21 LEU 37 HD21 LEU 37 -12.743 1.204 -3.589 261 HD22 LEU 37 HD22 LEU 37 -13.655 2.378 -2.643 262 HD23 LEU 37 HD23 LEU 37 -12.162 1.694 -1.998 263 H GLY 38 HN GLY 38 -11.260 3.927 -7.620 264 HA2 GLY 38 HA2 GLY 38 -12.055 3.758 -10.036 265 HA3 GLY 38 HA1 GLY 38 -13.593 4.304 -9.386 266 H HIS 39 HN HIS 39 -10.467 5.439 -8.309 267 HA HIS 39 HA HIS 39 -10.911 8.010 -9.666 268 HB2 HIS 39 HB2 HIS 39 -10.214 7.554 -6.757 269 HB3 HIS 39 HB1 HIS 39 -9.939 9.091 -7.565 270 HD1 HIS 39 HD1 HIS 39 -11.889 10.674 -7.685 271 HD2 HIS 39 HD2 HIS 39 -13.003 6.827 -6.558 272 HE1 HIS 39 HE1 HIS 39 -14.320 10.827 -7.059 273 HE2 HIS 39 HE2 HIS 39 -14.933 8.518 -6.254 274 H HIS 40 HN HIS 40 -8.696 9.346 -9.109 275 HA HIS 40 HA HIS 40 -6.449 7.481 -9.375 276 HB2 HIS 40 HB2 HIS 40 -7.184 8.429 -11.622 277 HB3 HIS 40 HB1 HIS 40 -6.655 9.999 -11.028 278 HD1 HIS 40 HD1 HIS 40 -4.359 10.567 -11.745 279 HD2 HIS 40 HD2 HIS 40 -4.875 6.462 -11.336 280 HE1 HIS 40 HE1 HIS 40 -2.156 9.541 -12.394 281 HE2 HIS 40 HE2 HIS 40 -2.457 7.063 -12.027 282 H THR 41 HN THR 41 -7.810 9.748 -7.545 283 HA THR 41 HA THR 41 -5.349 11.177 -6.920 284 HB THR 41 HB THR 41 -6.825 12.293 -5.190 285 HG1 THR 41 HG1 THR 41 -8.550 10.680 -5.483 286 HG21 THR 41 HG21 THR 41 -7.335 12.705 -8.128 287 HG22 THR 41 HG22 THR 41 -6.054 13.438 -7.155 288 HG23 THR 41 HG23 THR 41 -7.744 13.856 -6.853 289 HA PRO 42 HA PRO 42 -4.696 8.390 -3.435 290 HB2 PRO 42 HB2 PRO 42 -2.141 9.788 -3.305 291 HB3 PRO 42 HB1 PRO 42 -2.452 8.083 -3.635 292 HG2 PRO 42 HG2 PRO 42 -1.521 9.790 -5.523 293 HG3 PRO 42 HG1 PRO 42 -2.561 8.403 -5.905 294 HD2 PRO 42 HD2 PRO 42 -3.304 11.301 -5.633 295 HD3 PRO 42 HD1 PRO 42 -3.838 10.105 -6.833 296 H GLU 43 HN GLU 43 -4.589 11.776 -3.892 297 HA GLU 43 HA GLU 43 -4.066 12.647 -1.263 298 HB2 GLU 43 HB2 GLU 43 -5.630 14.016 -3.441 299 HB3 GLU 43 HB1 GLU 43 -4.895 14.797 -2.045 300 HG2 GLU 43 HG2 GLU 43 -2.713 14.281 -2.843 301 HG3 GLU 43 HG1 GLU 43 -3.392 13.263 -4.109 302 H SER 44 HN SER 44 -7.030 12.166 -3.108 303 HA SER 44 HA SER 44 -8.862 12.836 -1.092 304 HB2 SER 44 HB2 SER 44 -9.355 12.715 -3.541 305 HB3 SER 44 HB1 SER 44 -9.265 10.965 -3.410 306 HG SER 44 HG SER 44 -10.919 11.902 -1.526 307 H ILE 45 HN ILE 45 -7.022 10.009 -1.736 308 HA ILE 45 HA ILE 45 -8.599 8.204 -0.149 309 HB ILE 45 HB ILE 45 -5.757 7.921 -1.110 310 HG12 ILE 45 HG12 ILE 45 -7.227 8.266 -2.998 311 HG13 ILE 45 HG11 ILE 45 -6.726 6.583 -2.942 312 HG21 ILE 45 HG21 ILE 45 -7.688 5.748 -0.336 313 HG22 ILE 45 HG22 ILE 45 -6.467 6.409 0.754 314 HG23 ILE 45 HG23 ILE 45 -5.973 5.580 -0.726 315 HD11 ILE 45 HD11 ILE 45 -8.871 5.948 -2.019 316 HD12 ILE 45 HD12 ILE 45 -9.071 6.832 -3.533 317 HD13 ILE 45 HD13 ILE 45 -9.375 7.640 -1.996 318 H SER 46 HN SER 46 -8.741 9.366 1.827 319 HA SER 46 HA SER 46 -6.542 10.314 3.283 320 HB2 SER 46 HB2 SER 46 -8.996 9.274 4.631 321 HB3 SER 46 HB1 SER 46 -8.046 10.703 5.010 322 HG SER 46 HG SER 46 -10.241 10.713 3.702 323 HA PRO 47 HA PRO 47 -4.780 6.542 4.539 324 HB2 PRO 47 HB2 PRO 47 -2.918 7.446 6.178 325 HB3 PRO 47 HB1 PRO 47 -2.971 8.042 4.521 326 HG2 PRO 47 HG2 PRO 47 -3.856 9.364 7.036 327 HG3 PRO 47 HG1 PRO 47 -3.102 10.073 5.605 328 HD2 PRO 47 HD2 PRO 47 -5.867 9.984 6.218 329 HD3 PRO 47 HD1 PRO 47 -5.135 10.499 4.676 330 H ALA 48 HN ALA 48 -6.752 8.213 6.599 331 HA ALA 48 HA ALA 48 -6.335 6.293 8.751 332 HB1 ALA 48 HB1 ALA 48 -5.364 8.549 9.142 333 HB2 ALA 48 HB2 ALA 48 -6.522 8.009 10.367 334 HB3 ALA 48 HB3 ALA 48 -7.011 9.182 9.144 335 H THR 49 HN THR 49 -8.377 7.262 6.449 336 HA THR 49 HA THR 49 -10.889 7.361 7.726 337 HB THR 49 HB THR 49 -9.971 6.769 4.929 338 HG1 THR 49 HG1 THR 49 -11.451 8.907 6.099 339 HG21 THR 49 HG21 THR 49 -12.827 6.850 5.874 340 HG22 THR 49 HG22 THR 49 -11.948 5.425 5.314 341 HG23 THR 49 HG23 THR 49 -12.290 6.750 4.196 342 H ALA 50 HN ALA 50 -9.010 4.851 6.234 343 HA ALA 50 HA ALA 50 -8.813 2.608 6.829 344 HB1 ALA 50 HB1 ALA 50 -10.271 2.702 8.771 345 HB2 ALA 50 HB2 ALA 50 -10.673 1.320 7.749 346 HB3 ALA 50 HB3 ALA 50 -11.688 2.765 7.720 347 H PHE 51 HN PHE 51 -8.857 1.132 5.398 348 HA PHE 51 HA PHE 51 -9.796 1.478 2.828 349 HB2 PHE 51 HB2 PHE 51 -9.141 -1.013 4.373 350 HB3 PHE 51 HB1 PHE 51 -9.490 -1.030 2.646 351 HD1 PHE 51 HD1 PHE 51 -8.182 1.249 1.599 352 HD2 PHE 51 HD2 PHE 51 -6.928 -1.345 4.708 353 HE1 PHE 51 HE1 PHE 51 -5.846 1.805 1.101 354 HE2 PHE 51 HE2 PHE 51 -4.586 -0.806 4.229 355 HZ PHE 51 HZ PHE 51 -4.036 0.773 2.410 356 H LYS 52 HN LYS 52 -11.249 -0.402 5.444 357 HA LYS 52 HA LYS 52 -13.497 -1.363 4.194 358 HB2 LYS 52 HB2 LYS 52 -13.209 -0.244 6.987 359 HB3 LYS 52 HB1 LYS 52 -14.564 -1.223 6.443 360 HG2 LYS 52 HG2 LYS 52 -12.880 -3.026 5.914 361 HG3 LYS 52 HG1 LYS 52 -11.683 -2.028 6.735 362 HD2 LYS 52 HD2 LYS 52 -14.210 -3.126 7.946 363 HD3 LYS 52 HD1 LYS 52 -12.585 -3.749 8.224 364 HE2 LYS 52 HE2 LYS 52 -11.964 -1.556 9.176 365 HE3 LYS 52 HE1 LYS 52 -13.629 -1.026 8.946 366 HZ1 LYS 52 HZ1 LYS 52 -12.753 -3.267 10.682 367 HZ2 LYS 52 HZ2 LYS 52 -14.355 -2.779 10.449 368 HZ3 LYS 52 HZ3 LYS 52 -13.259 -1.741 11.210 369 H ASP 53 HN ASP 53 -12.874 1.764 5.630 370 HA ASP 53 HA ASP 53 -15.546 2.716 5.180 371 HB2 ASP 53 HB2 ASP 53 -13.054 4.002 6.308 372 HB3 ASP 53 HB1 ASP 53 -14.556 4.900 6.055 373 H LEU 54 HN LEU 54 -12.888 2.349 3.295 374 HA LEU 54 HA LEU 54 -13.282 4.730 1.665 375 HB2 LEU 54 HB2 LEU 54 -11.237 2.554 1.776 376 HB3 LEU 54 HB1 LEU 54 -11.364 3.537 0.337 377 HG LEU 54 HG LEU 54 -10.977 4.716 3.086 378 HD11 LEU 54 HD11 LEU 54 -8.898 3.863 1.090 379 HD12 LEU 54 HD12 LEU 54 -9.108 3.269 2.739 380 HD13 LEU 54 HD13 LEU 54 -8.593 4.932 2.457 381 HD21 LEU 54 HD21 LEU 54 -11.797 6.244 1.407 382 HD22 LEU 54 HD22 LEU 54 -10.515 5.750 0.302 383 HD23 LEU 54 HD23 LEU 54 -10.113 6.613 1.786 384 H GLY 55 HN GLY 55 -14.062 1.366 1.746 385 HA2 GLY 55 HA2 GLY 55 -15.973 0.825 0.228 386 HA3 GLY 55 HA1 GLY 55 -15.004 1.543 -1.053 387 H ILE 56 HN ILE 56 -12.857 0.132 0.894 388 HA ILE 56 HA ILE 56 -12.278 -2.015 -0.835 389 HB ILE 56 HB ILE 56 -11.353 -1.398 1.963 390 HG12 ILE 56 HG12 ILE 56 -10.272 0.155 0.700 391 HG13 ILE 56 HG11 ILE 56 -9.138 -1.170 0.602 392 HG21 ILE 56 HG21 ILE 56 -9.513 -3.067 1.314 393 HG22 ILE 56 HG22 ILE 56 -10.740 -3.702 0.218 394 HG23 ILE 56 HG23 ILE 56 -11.054 -3.634 1.954 395 HD11 ILE 56 HD11 ILE 56 -11.125 -0.355 -1.491 396 HD12 ILE 56 HD12 ILE 56 -10.105 -1.799 -1.577 397 HD13 ILE 56 HD13 ILE 56 -9.372 -0.197 -1.551 398 H ASP 57 HN ASP 57 -13.841 -3.597 -1.038 399 HA ASP 57 HA ASP 57 -14.182 -5.221 1.394 400 HB2 ASP 57 HB2 ASP 57 -16.313 -4.087 0.855 401 HB3 ASP 57 HB1 ASP 57 -16.279 -4.817 -0.746 402 H SER 58 HN SER 58 -12.773 -6.802 1.009 403 HA SER 58 HA SER 58 -11.802 -8.639 0.151 404 HB2 SER 58 HB2 SER 58 -13.336 -10.177 -1.219 405 HB3 SER 58 HB1 SER 58 -13.798 -9.815 0.445 406 HG SER 58 HG SER 58 -15.203 -8.167 -0.480 407 H LEU 59 HN LEU 59 -13.791 -7.885 -2.693 408 HA LEU 59 HA LEU 59 -11.944 -8.738 -4.581 409 HB2 LEU 59 HB2 LEU 59 -14.077 -6.630 -4.786 410 HB3 LEU 59 HB1 LEU 59 -13.150 -7.196 -6.150 411 HG LEU 59 HG LEU 59 -14.065 -9.465 -5.831 412 HD11 LEU 59 HD11 LEU 59 -14.503 -9.381 -3.450 413 HD12 LEU 59 HD12 LEU 59 -15.959 -9.816 -4.350 414 HD13 LEU 59 HD13 LEU 59 -15.769 -8.182 -3.713 415 HD21 LEU 59 HD21 LEU 59 -16.368 -8.884 -6.549 416 HD22 LEU 59 HD22 LEU 59 -15.112 -7.980 -7.395 417 HD23 LEU 59 HD23 LEU 59 -16.032 -7.209 -6.103 418 H THR 60 HN THR 60 -12.609 -5.447 -3.463 419 HA THR 60 HA THR 60 -10.461 -4.394 -5.063 420 HB THR 60 HB THR 60 -11.019 -2.268 -3.663 421 HG1 THR 60 HG1 THR 60 -13.595 -3.232 -3.458 422 HG21 THR 60 HG21 THR 60 -12.963 -3.443 -5.653 423 HG22 THR 60 HG22 THR 60 -11.460 -2.602 -6.051 424 HG23 THR 60 HG23 THR 60 -12.780 -1.731 -5.262 425 H ALA 61 HN ALA 61 -10.805 -5.747 -1.988 426 HA ALA 61 HA ALA 61 -8.465 -4.519 -0.844 427 HB1 ALA 61 HB1 ALA 61 -10.275 -5.537 0.534 428 HB2 ALA 61 HB2 ALA 61 -8.656 -6.128 0.922 429 HB3 ALA 61 HB3 ALA 61 -9.757 -7.127 -0.034 430 H LEU 62 HN LEU 62 -9.222 -7.444 -2.672 431 HA LEU 62 HA LEU 62 -6.559 -8.439 -2.687 432 HB2 LEU 62 HB2 LEU 62 -8.877 -9.570 -3.278 433 HB3 LEU 62 HB1 LEU 62 -8.486 -8.973 -4.869 434 HG LEU 62 HG LEU 62 -7.482 -10.934 -5.189 435 HD11 LEU 62 HD11 LEU 62 -5.180 -11.099 -4.533 436 HD12 LEU 62 HD12 LEU 62 -5.419 -9.925 -3.240 437 HD13 LEU 62 HD13 LEU 62 -5.555 -9.419 -4.924 438 HD21 LEU 62 HD21 LEU 62 -7.416 -11.215 -2.201 439 HD22 LEU 62 HD22 LEU 62 -6.856 -12.453 -3.324 440 HD23 LEU 62 HD23 LEU 62 -8.550 -11.960 -3.323 441 H GLU 63 HN GLU 63 -8.537 -6.495 -4.986 442 HA GLU 63 HA GLU 63 -6.540 -6.233 -6.920 443 HB2 GLU 63 HB2 GLU 63 -8.684 -5.735 -7.631 444 HB3 GLU 63 HB1 GLU 63 -9.098 -4.912 -6.138 445 HG2 GLU 63 HG2 GLU 63 -9.050 -3.268 -7.778 446 HG3 GLU 63 HG1 GLU 63 -7.568 -3.111 -6.837 447 H LEU 64 HN LEU 64 -7.336 -4.403 -3.984 448 HA LEU 64 HA LEU 64 -5.423 -2.377 -4.163 449 HB2 LEU 64 HB2 LEU 64 -7.149 -3.329 -2.188 450 HB3 LEU 64 HB1 LEU 64 -5.544 -3.630 -1.538 451 HG LEU 64 HG LEU 64 -6.644 -0.964 -2.390 452 HD11 LEU 64 HD11 LEU 64 -7.548 -1.759 -0.285 453 HD12 LEU 64 HD12 LEU 64 -6.413 -0.434 -0.005 454 HD13 LEU 64 HD13 LEU 64 -5.921 -2.101 0.303 455 HD21 LEU 64 HD21 LEU 64 -3.952 -1.675 -1.242 456 HD22 LEU 64 HD22 LEU 64 -4.532 -0.046 -1.596 457 HD23 LEU 64 HD23 LEU 64 -4.254 -1.194 -2.911 458 H ARG 65 HN ARG 65 -5.305 -5.636 -3.086 459 HA ARG 65 HA ARG 65 -2.644 -5.703 -2.159 460 HB2 ARG 65 HB2 ARG 65 -4.238 -7.357 -1.403 461 HB3 ARG 65 HB1 ARG 65 -4.520 -7.916 -3.050 462 HG2 ARG 65 HG2 ARG 65 -1.786 -8.113 -1.829 463 HG3 ARG 65 HG1 ARG 65 -3.027 -9.303 -1.436 464 HD2 ARG 65 HD2 ARG 65 -3.279 -9.841 -3.799 465 HD3 ARG 65 HD1 ARG 65 -2.085 -8.616 -4.220 466 HE ARG 65 HE ARG 65 -0.990 -10.479 -2.390 467 HH11 ARG 65 HH11 ARG 65 -1.911 -10.147 -5.760 468 HH12 ARG 65 HH12 ARG 65 -0.767 -11.323 -6.316 469 HH21 ARG 65 HH21 ARG 65 0.508 -12.025 -3.118 470 HH22 ARG 65 HH22 ARG 65 0.613 -12.398 -4.808 471 H ASN 66 HN ASN 66 -4.156 -6.730 -5.133 472 HA ASN 66 HA ASN 66 -1.960 -7.715 -6.484 473 HB2 ASN 66 HB2 ASN 66 -4.549 -6.482 -7.372 474 HB3 ASN 66 HB1 ASN 66 -3.379 -7.053 -8.548 475 HD21 ASN 66 HD21 ASN 66 -6.043 -8.039 -8.047 476 HD22 ASN 66 HD22 ASN 66 -5.884 -9.700 -7.599 477 H THR 67 HN THR 67 -3.074 -4.365 -6.173 478 HA THR 67 HA THR 67 -1.002 -3.402 -7.919 479 HB THR 67 HB THR 67 -2.748 -1.884 -5.997 480 HG1 THR 67 HG1 THR 67 -4.037 -2.776 -7.586 481 HG21 THR 67 HG21 THR 67 -2.118 0.092 -7.320 482 HG22 THR 67 HG22 THR 67 -1.015 -0.907 -8.267 483 HG23 THR 67 HG23 THR 67 -0.715 -0.649 -6.547 484 H LEU 68 HN LEU 68 -1.591 -3.258 -4.401 485 HA LEU 68 HA LEU 68 0.708 -1.853 -3.748 486 HB2 LEU 68 HB2 LEU 68 0.329 -2.440 -1.490 487 HB3 LEU 68 HB1 LEU 68 -1.244 -2.328 -2.229 488 HG LEU 68 HG LEU 68 -0.943 -4.943 -2.448 489 HD11 LEU 68 HD11 LEU 68 0.734 -4.295 -0.028 490 HD12 LEU 68 HD12 LEU 68 1.340 -4.972 -1.539 491 HD13 LEU 68 HD13 LEU 68 0.218 -5.900 -0.543 492 HD21 LEU 68 HD21 LEU 68 -1.657 -3.522 0.108 493 HD22 LEU 68 HD22 LEU 68 -2.118 -5.172 -0.307 494 HD23 LEU 68 HD23 LEU 68 -2.738 -3.818 -1.254 495 H THR 69 HN THR 69 0.236 -5.392 -3.770 496 HA THR 69 HA THR 69 2.770 -6.179 -3.094 497 HB THR 69 HB THR 69 0.478 -7.310 -4.596 498 HG1 THR 69 HG1 THR 69 2.067 -8.411 -2.512 499 HG21 THR 69 HG21 THR 69 2.317 -7.977 -6.027 500 HG22 THR 69 HG22 THR 69 1.656 -9.370 -5.160 501 HG23 THR 69 HG23 THR 69 3.177 -8.646 -4.636 502 H HIS 70 HN HIS 70 1.488 -5.234 -6.217 503 HA HIS 70 HA HIS 70 3.698 -6.159 -7.728 504 HB2 HIS 70 HB2 HIS 70 1.480 -5.849 -8.718 505 HB3 HIS 70 HB1 HIS 70 1.549 -4.139 -8.372 506 HD1 HIS 70 HD1 HIS 70 2.337 -6.601 -10.946 507 HD2 HIS 70 HD2 HIS 70 3.522 -2.733 -9.998 508 HE1 HIS 70 HE1 HIS 70 3.381 -5.682 -13.040 509 HE2 HIS 70 HE2 HIS 70 4.162 -3.367 -12.423 510 H ASN 71 HN ASN 71 2.922 -3.105 -6.200 511 HA ASN 71 HA ASN 71 5.186 -1.800 -7.434 512 HB2 ASN 71 HB2 ASN 71 3.091 -0.848 -5.526 513 HB3 ASN 71 HB1 ASN 71 4.453 0.150 -6.027 514 HD21 ASN 71 HD21 ASN 71 1.534 -1.404 -7.008 515 HD22 ASN 71 HD22 ASN 71 1.337 -0.552 -8.496 516 H THR 72 HN THR 72 4.679 -3.628 -4.609 517 HA THR 72 HA THR 72 7.023 -2.392 -3.336 518 HB THR 72 HB THR 72 6.133 -3.219 -1.203 519 HG1 THR 72 HG1 THR 72 3.716 -3.869 -2.521 520 HG21 THR 72 HG21 THR 72 3.795 -1.840 -2.420 521 HG22 THR 72 HG22 THR 72 5.352 -1.022 -2.526 522 HG23 THR 72 HG23 THR 72 4.690 -1.452 -0.948 523 H GLY 73 HN GLY 73 5.762 -5.232 -4.749 524 HA2 GLY 73 HA2 GLY 73 7.105 -6.977 -5.492 525 HA3 GLY 73 HA1 GLY 73 8.407 -6.346 -4.507 526 H LEU 74 HN LEU 74 5.580 -6.598 -2.761 527 HA LEU 74 HA LEU 74 6.709 -8.845 -1.311 528 HB2 LEU 74 HB2 LEU 74 5.591 -6.444 -0.539 529 HB3 LEU 74 HB1 LEU 74 4.316 -7.600 -0.211 530 HG LEU 74 HG LEU 74 5.927 -8.940 1.111 531 HD11 LEU 74 HD11 LEU 74 7.977 -8.351 0.103 532 HD12 LEU 74 HD12 LEU 74 8.043 -7.723 1.755 533 HD13 LEU 74 HD13 LEU 74 7.714 -6.634 0.401 534 HD21 LEU 74 HD21 LEU 74 5.918 -7.504 3.031 535 HD22 LEU 74 HD22 LEU 74 4.421 -7.251 2.133 536 HD23 LEU 74 HD23 LEU 74 5.731 -6.075 2.016 537 H ASP 75 HN ASP 75 6.078 -10.735 -1.637 538 HA ASP 75 HA ASP 75 3.634 -11.241 -3.130 539 HB2 ASP 75 HB2 ASP 75 5.853 -12.174 -3.791 540 HB3 ASP 75 HB1 ASP 75 5.820 -13.121 -2.315 541 H LEU 76 HN LEU 76 2.529 -10.564 -1.068 542 HA LEU 76 HA LEU 76 2.050 -12.932 0.611 543 HB2 LEU 76 HB2 LEU 76 1.699 -9.999 1.159 544 HB3 LEU 76 HB1 LEU 76 0.826 -11.195 2.091 545 HG LEU 76 HG LEU 76 2.731 -10.554 3.357 546 HD11 LEU 76 HD11 LEU 76 3.906 -12.643 3.646 547 HD12 LEU 76 HD12 LEU 76 3.358 -13.204 2.069 548 HD13 LEU 76 HD13 LEU 76 2.193 -12.949 3.368 549 HD21 LEU 76 HD21 LEU 76 5.009 -10.691 2.533 550 HD22 LEU 76 HD22 LEU 76 4.050 -9.590 1.544 551 HD23 LEU 76 HD23 LEU 76 4.423 -11.210 0.953 552 HA PRO 77 HA PRO 77 -2.020 -13.323 -1.147 553 HB2 PRO 77 HB2 PRO 77 -3.252 -14.525 0.982 554 HB3 PRO 77 HB1 PRO 77 -2.166 -15.375 -0.121 555 HG2 PRO 77 HG2 PRO 77 -1.612 -14.234 2.584 556 HG3 PRO 77 HG1 PRO 77 -1.090 -15.781 1.892 557 HD2 PRO 77 HD2 PRO 77 0.543 -13.640 2.035 558 HD3 PRO 77 HD1 PRO 77 0.629 -14.811 0.705 559 HA PRO 78 HA PRO 78 -4.923 -10.203 0.358 560 HB2 PRO 78 HB2 PRO 78 -7.096 -11.715 1.238 561 HB3 PRO 78 HB1 PRO 78 -6.838 -11.135 -0.406 562 HG2 PRO 78 HG2 PRO 78 -6.245 -13.810 0.777 563 HG3 PRO 78 HG1 PRO 78 -6.887 -13.407 -0.826 564 HD2 PRO 78 HD2 PRO 78 -4.343 -14.112 -0.531 565 HD3 PRO 78 HD1 PRO 78 -4.792 -12.807 -1.648 566 H THR 79 HN THR 79 -6.878 -10.354 2.397 567 HA THR 79 HA THR 79 -7.141 -9.821 4.514 568 HB THR 79 HB THR 79 -6.261 -11.267 6.268 569 HG1 THR 79 HG1 THR 79 -4.424 -11.927 4.350 570 HG21 THR 79 HG21 THR 79 -7.286 -13.366 5.487 571 HG22 THR 79 HG22 THR 79 -7.282 -12.733 3.840 572 HG23 THR 79 HG23 THR 79 -8.255 -11.947 5.084 573 H LEU 80 HN LEU 80 -4.613 -8.830 2.974 574 HA LEU 80 HA LEU 80 -2.944 -7.860 5.083 575 HB2 LEU 80 HB2 LEU 80 -3.299 -6.869 2.249 576 HB3 LEU 80 HB1 LEU 80 -2.043 -6.335 3.348 577 HG LEU 80 HG LEU 80 -2.357 -9.148 2.293 578 HD11 LEU 80 HD11 LEU 80 -0.344 -8.658 1.005 579 HD12 LEU 80 HD12 LEU 80 -0.356 -6.999 1.605 580 HD13 LEU 80 HD13 LEU 80 -1.661 -7.571 0.565 581 HD21 LEU 80 HD21 LEU 80 -0.206 -7.895 3.998 582 HD22 LEU 80 HD22 LEU 80 -0.147 -9.514 3.300 583 HD23 LEU 80 HD23 LEU 80 -1.366 -9.119 4.511 584 H ILE 81 HN ILE 81 -5.748 -6.698 3.351 585 HA ILE 81 HA ILE 81 -5.782 -4.076 4.463 586 HB ILE 81 HB ILE 81 -8.147 -5.653 3.418 587 HG12 ILE 81 HG12 ILE 81 -6.561 -5.642 1.661 588 HG13 ILE 81 HG11 ILE 81 -7.667 -4.329 1.322 589 HG21 ILE 81 HG21 ILE 81 -8.591 -3.508 4.672 590 HG22 ILE 81 HG22 ILE 81 -9.196 -3.579 3.014 591 HG23 ILE 81 HG23 ILE 81 -7.717 -2.686 3.371 592 HD11 ILE 81 HD11 ILE 81 -6.102 -2.732 2.129 593 HD12 ILE 81 HD12 ILE 81 -5.306 -3.773 0.944 594 HD13 ILE 81 HD13 ILE 81 -5.011 -4.008 2.669 595 H PHE 82 HN PHE 82 -7.137 -7.149 5.397 596 HA PHE 82 HA PHE 82 -8.676 -6.174 7.553 597 HB2 PHE 82 HB2 PHE 82 -7.649 -8.928 6.869 598 HB3 PHE 82 HB1 PHE 82 -8.789 -8.593 8.165 599 HD1 PHE 82 HD1 PHE 82 -11.054 -8.538 7.743 600 HD2 PHE 82 HD2 PHE 82 -8.330 -8.145 4.491 601 HE1 PHE 82 HE1 PHE 82 -12.929 -8.631 6.162 602 HE2 PHE 82 HE2 PHE 82 -10.209 -8.244 2.908 603 HZ PHE 82 HZ PHE 82 -12.510 -8.484 3.741 604 H ASP 83 HN ASP 83 -5.353 -7.192 7.222 605 HA ASP 83 HA ASP 83 -4.890 -7.117 10.087 606 HB2 ASP 83 HB2 ASP 83 -3.668 -8.723 8.627 607 HB3 ASP 83 HB1 ASP 83 -2.889 -7.364 7.833 608 H HIS 84 HN HIS 84 -4.494 -5.109 7.282 609 HA HIS 84 HA HIS 84 -3.606 -2.888 9.000 610 HB2 HIS 84 HB2 HIS 84 -2.569 -3.669 6.279 611 HB3 HIS 84 HB1 HIS 84 -2.322 -2.070 6.951 612 HD1 HIS 84 HD1 HIS 84 -0.542 -1.840 8.813 613 HD2 HIS 84 HD2 HIS 84 -1.131 -5.747 7.518 614 HE1 HIS 84 HE1 HIS 84 1.360 -3.159 9.773 615 HE2 HIS 84 HE2 HIS 84 0.876 -5.549 9.140 616 HA PRO 85 HA PRO 85 -7.462 -2.112 6.800 617 HB2 PRO 85 HB2 PRO 85 -8.841 -0.971 8.770 618 HB3 PRO 85 HB1 PRO 85 -8.424 -2.690 8.827 619 HG2 PRO 85 HG2 PRO 85 -7.116 -0.379 10.214 620 HG3 PRO 85 HG1 PRO 85 -7.513 -1.985 10.852 621 HD2 PRO 85 HD2 PRO 85 -5.020 -1.225 9.924 622 HD3 PRO 85 HD1 PRO 85 -5.590 -2.903 10.032 623 H THR 86 HN THR 86 -5.129 0.190 7.441 624 HA THR 86 HA THR 86 -6.853 2.203 6.200 625 HB THR 86 HB THR 86 -5.683 3.986 7.398 626 HG1 THR 86 HG1 THR 86 -4.615 2.369 9.352 627 HG21 THR 86 HG21 THR 86 -7.749 3.223 8.382 628 HG22 THR 86 HG22 THR 86 -6.599 3.580 9.669 629 HG23 THR 86 HG23 THR 86 -6.912 1.908 9.205 630 HA PRO 87 HA PRO 87 -3.690 2.579 3.076 631 HB2 PRO 87 HB2 PRO 87 -3.834 5.513 3.427 632 HB3 PRO 87 HB1 PRO 87 -3.990 4.546 1.962 633 HG2 PRO 87 HG2 PRO 87 -6.136 5.639 3.118 634 HG3 PRO 87 HG1 PRO 87 -6.205 4.039 2.359 635 HD2 PRO 87 HD2 PRO 87 -6.116 4.762 5.254 636 HD3 PRO 87 HD1 PRO 87 -6.968 3.432 4.445 637 H HIS 88 HN HIS 88 -3.452 4.585 5.948 638 HA HIS 88 HA HIS 88 -0.649 4.915 5.996 639 HB2 HIS 88 HB2 HIS 88 -2.237 6.169 7.435 640 HB3 HIS 88 HB1 HIS 88 -2.592 4.691 8.310 641 HD1 HIS 88 HD1 HIS 88 0.493 6.813 7.555 642 HD2 HIS 88 HD2 HIS 88 -1.154 4.466 10.564 643 HE1 HIS 88 HE1 HIS 88 2.078 6.993 9.498 644 HE2 HIS 88 HE2 HIS 88 0.980 5.688 11.355 645 H ALA 89 HN ALA 89 -2.762 2.499 7.521 646 HA ALA 89 HA ALA 89 -0.833 0.908 8.718 647 HB1 ALA 89 HB1 ALA 89 -3.227 0.705 9.139 648 HB2 ALA 89 HB2 ALA 89 -2.501 -0.850 8.726 649 HB3 ALA 89 HB3 ALA 89 -3.452 0.028 7.524 650 H LEU 90 HN LEU 90 -2.404 0.225 5.541 651 HA LEU 90 HA LEU 90 -0.872 -1.947 4.815 652 HB2 LEU 90 HB2 LEU 90 -2.715 -0.285 3.559 653 HB3 LEU 90 HB1 LEU 90 -1.284 -0.152 2.584 654 HG LEU 90 HG LEU 90 -1.237 -2.533 2.195 655 HD11 LEU 90 HD11 LEU 90 -2.131 -3.259 4.353 656 HD12 LEU 90 HD12 LEU 90 -3.001 -3.989 3.008 657 HD13 LEU 90 HD13 LEU 90 -3.719 -2.646 3.896 658 HD21 LEU 90 HD21 LEU 90 -3.988 -1.380 1.754 659 HD22 LEU 90 HD22 LEU 90 -3.278 -2.739 0.884 660 HD23 LEU 90 HD23 LEU 90 -2.584 -1.127 0.713 661 H THR 91 HN THR 91 -0.226 1.462 4.357 662 HA THR 91 HA THR 91 2.123 1.241 2.930 663 HB THR 91 HB THR 91 1.077 3.339 4.819 664 HG1 THR 91 HG1 THR 91 0.017 3.482 2.947 665 HG21 THR 91 HG21 THR 91 3.717 3.297 3.405 666 HG22 THR 91 HG22 THR 91 3.363 3.721 5.079 667 HG23 THR 91 HG23 THR 91 2.900 4.814 3.774 668 H GLN 92 HN GLN 92 1.588 1.513 6.414 669 HA GLN 92 HA GLN 92 4.206 1.402 7.312 670 HB2 GLN 92 HB2 GLN 92 1.659 0.361 8.549 671 HB3 GLN 92 HB1 GLN 92 3.178 0.465 9.420 672 HG2 GLN 92 HG2 GLN 92 3.096 2.967 8.675 673 HG3 GLN 92 HG1 GLN 92 1.380 2.633 8.468 674 HE21 GLN 92 HE21 GLN 92 0.128 2.108 10.277 675 HE22 GLN 92 HE22 GLN 92 0.657 2.485 11.879 676 H HIS 93 HN HIS 93 2.000 -1.190 6.467 677 HA HIS 93 HA HIS 93 3.494 -3.394 7.276 678 HB2 HIS 93 HB2 HIS 93 1.240 -3.719 6.596 679 HB3 HIS 93 HB1 HIS 93 1.524 -2.982 5.028 680 HD1 HIS 93 HD1 HIS 93 2.634 -6.117 6.918 681 HD2 HIS 93 HD2 HIS 93 1.849 -4.778 3.052 682 HE1 HIS 93 HE1 HIS 93 2.821 -8.144 5.443 683 HE2 HIS 93 HE2 HIS 93 2.135 -7.348 3.159 684 H LEU 94 HN LEU 94 3.467 -1.859 4.038 685 HA LEU 94 HA LEU 94 5.559 -3.603 3.095 686 HB2 LEU 94 HB2 LEU 94 4.438 -1.061 1.891 687 HB3 LEU 94 HB1 LEU 94 5.380 -2.281 1.055 688 HG LEU 94 HG LEU 94 2.741 -2.935 2.340 689 HD11 LEU 94 HD11 LEU 94 1.567 -2.474 0.399 690 HD12 LEU 94 HD12 LEU 94 3.031 -2.306 -0.571 691 HD13 LEU 94 HD13 LEU 94 2.603 -1.063 0.619 692 HD21 LEU 94 HD21 LEU 94 4.233 -4.798 1.748 693 HD22 LEU 94 HD22 LEU 94 4.282 -4.222 0.078 694 HD23 LEU 94 HD23 LEU 94 2.764 -4.796 0.773 695 H HIS 95 HN HIS 95 5.438 -0.540 4.692 696 HA HIS 95 HA HIS 95 8.003 0.428 3.786 697 HB2 HIS 95 HB2 HIS 95 6.237 1.987 4.511 698 HB3 HIS 95 HB1 HIS 95 6.230 1.259 6.107 699 HD1 HIS 95 HD1 HIS 95 7.944 2.058 7.773 700 HD2 HIS 95 HD2 HIS 95 8.491 3.689 3.974 701 HE1 HIS 95 HE1 HIS 95 9.619 3.899 8.063 702 HE2 HIS 95 HE2 HIS 95 9.731 5.018 5.814 703 H THR 96 HN THR 96 6.757 -1.612 6.257 704 HA THR 96 HA THR 96 9.199 -1.614 7.807 705 HB THR 96 HB THR 96 6.406 -2.486 8.112 706 HG1 THR 96 HG1 THR 96 8.103 -2.009 10.275 707 HG21 THR 96 HG21 THR 96 8.595 -4.113 9.390 708 HG22 THR 96 HG22 THR 96 7.438 -4.667 8.176 709 HG23 THR 96 HG23 THR 96 6.876 -4.202 9.782 710 H ARG 97 HN ARG 97 7.317 -3.645 5.627 711 HA ARG 97 HA ARG 97 8.961 -5.936 5.899 712 HB2 ARG 97 HB2 ARG 97 6.845 -5.168 3.923 713 HB3 ARG 97 HB1 ARG 97 7.663 -6.713 3.873 714 HG2 ARG 97 HG2 ARG 97 6.130 -5.652 6.215 715 HG3 ARG 97 HG1 ARG 97 5.466 -6.747 5.001 716 HD2 ARG 97 HD2 ARG 97 7.862 -7.330 6.732 717 HD3 ARG 97 HD1 ARG 97 6.223 -7.881 7.046 718 HE ARG 97 HE ARG 97 7.069 -8.648 4.451 719 HH11 ARG 97 HH11 ARG 97 7.430 -9.457 7.830 720 HH12 ARG 97 HH12 ARG 97 7.819 -11.119 7.523 721 HH21 ARG 97 HH21 ARG 97 7.587 -10.842 4.037 722 HH22 ARG 97 HH22 ARG 97 7.916 -11.903 5.369 723 H LEU 98 HN LEU 98 9.235 -3.097 3.988 724 HA LEU 98 HA LEU 98 10.864 -3.784 1.938 725 HB2 LEU 98 HB2 LEU 98 10.673 -1.481 3.679 726 HB3 LEU 98 HB1 LEU 98 12.302 -1.721 3.108 727 HG LEU 98 HG LEU 98 11.706 -0.550 1.311 728 HD11 LEU 98 HD11 LEU 98 10.684 -1.721 -0.504 729 HD12 LEU 98 HD12 LEU 98 9.927 -2.873 0.596 730 HD13 LEU 98 HD13 LEU 98 11.683 -2.862 0.396 731 HD21 LEU 98 HD21 LEU 98 9.755 0.281 2.485 732 HD22 LEU 98 HD22 LEU 98 8.830 -1.121 1.947 733 HD23 LEU 98 HD23 LEU 98 9.434 0.046 0.768 734 H THR 99 HN THR 99 12.147 -3.096 5.162 735 HA THR 99 HA THR 99 14.604 -4.461 4.577 736 HB THR 99 HB THR 99 14.867 -2.597 5.980 737 HG1 THR 99 HG1 THR 99 15.424 -3.646 8.098 738 HG21 THR 99 HG21 THR 99 12.694 -3.697 7.761 739 HG22 THR 99 HG22 THR 99 12.535 -2.329 6.654 740 HG23 THR 99 HG23 THR 99 13.618 -2.222 8.048 741 H GLN 100 HN GLN 100 11.708 -5.063 6.504 742 HA GLN 100 HA GLN 100 12.617 -7.648 7.387 743 HB2 GLN 100 HB2 GLN 100 9.946 -6.283 7.563 744 HB3 GLN 100 HB1 GLN 100 10.309 -7.835 8.292 745 HG2 GLN 100 HG2 GLN 100 11.856 -5.345 8.913 746 HG3 GLN 100 HG1 GLN 100 10.404 -5.819 9.796 747 HE21 GLN 100 HE21 GLN 100 11.506 -6.103 11.731 748 HE22 GLN 100 HE22 GLN 100 12.599 -7.414 11.998 749 H SER 101 HN SER 101 13.051 -8.477 5.223 750 HA SER 101 HA SER 101 10.669 -9.716 4.086 751 HB2 SER 101 HB2 SER 101 11.147 -7.637 2.810 752 HB3 SER 101 HB1 SER 101 12.732 -8.285 2.396 753 HG SER 101 HG SER 101 10.794 -8.572 0.898 754 H HIS 102 HN HIS 102 11.964 -10.923 1.925 755 HA HIS 102 HA HIS 102 14.251 -12.325 3.026 756 HB2 HIS 102 HB2 HIS 102 13.235 -14.565 2.533 757 HB3 HIS 102 HB1 HIS 102 12.533 -13.732 3.893 758 HD1 HIS 102 HD1 HIS 102 10.895 -15.922 2.775 759 HD2 HIS 102 HD2 HIS 102 10.671 -12.054 1.273 760 HE1 HIS 102 HE1 HIS 102 8.650 -15.760 1.658 761 HE2 HIS 102 HE2 HIS 102 8.499 -13.392 0.827 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 10.116 -5.841 -18.456 2 H2 GLY 1 HT2 GLY 1 10.806 -6.414 -17.023 3 H3 GLY 1 HT3 GLY 1 11.064 -4.816 -17.504 4 HA2 GLY 1 HA1 GLY 1 8.753 -4.285 -17.191 5 HA3 GLY 1 HA2 GLY 1 8.433 -5.961 -16.766 6 H ALA 2 HN ALA 2 7.816 -5.791 -14.688 7 HA ALA 2 HA ALA 2 9.307 -4.093 -12.859 8 HB1 ALA 2 HB1 ALA 2 6.857 -4.090 -12.778 9 HB2 ALA 2 HB2 ALA 2 7.561 -4.619 -11.250 10 HB3 ALA 2 HB3 ALA 2 6.873 -5.804 -12.360 11 H ALA 3 HN ALA 3 11.196 -5.608 -13.355 12 HA ALA 3 HA ALA 3 11.266 -8.156 -12.070 13 HB1 ALA 3 HB1 ALA 3 13.553 -6.378 -12.926 14 HB2 ALA 3 HB2 ALA 3 12.760 -7.584 -13.937 15 HB3 ALA 3 HB3 ALA 3 13.663 -8.088 -12.510 16 H SER 4 HN SER 4 10.612 -7.921 -9.971 17 HA SER 4 HA SER 4 10.727 -7.525 -7.750 18 HB2 SER 4 HB2 SER 4 13.090 -8.383 -8.041 19 HB3 SER 4 HB1 SER 4 13.601 -6.700 -8.145 20 HG SER 4 HG SER 4 13.056 -8.158 -5.959 21 H ALA 5 HN ALA 5 9.272 -5.822 -7.964 22 HA ALA 5 HA ALA 5 10.218 -3.131 -8.324 23 HB1 ALA 5 HB1 ALA 5 7.535 -4.147 -7.384 24 HB2 ALA 5 HB2 ALA 5 7.975 -3.745 -9.044 25 HB3 ALA 5 HB3 ALA 5 7.907 -2.480 -7.819 26 H ALA 6 HN ALA 6 10.663 -5.200 -5.895 27 HA ALA 6 HA ALA 6 10.150 -3.455 -3.645 28 HB1 ALA 6 HB1 ALA 6 11.603 -6.089 -3.909 29 HB2 ALA 6 HB2 ALA 6 9.951 -5.832 -3.327 30 HB3 ALA 6 HB3 ALA 6 11.323 -5.249 -2.379 31 H THR 7 HN THR 7 12.614 -4.094 -5.901 32 HA THR 7 HA THR 7 14.544 -2.567 -4.313 33 HB THR 7 HB THR 7 15.414 -4.699 -5.105 34 HG1 THR 7 HG1 THR 7 16.546 -2.422 -6.393 35 HG21 THR 7 HG21 THR 7 15.786 -5.121 -7.490 36 HG22 THR 7 HG22 THR 7 14.926 -3.632 -7.883 37 HG23 THR 7 HG23 THR 7 14.065 -4.972 -7.122 38 H ASP 8 HN ASP 8 12.114 -2.059 -6.310 39 HA ASP 8 HA ASP 8 13.350 0.249 -7.622 40 HB2 ASP 8 HB2 ASP 8 11.146 -1.542 -8.305 41 HB3 ASP 8 HB1 ASP 8 10.759 0.170 -8.456 42 H LEU 9 HN LEU 9 10.910 -0.930 -5.475 43 HA LEU 9 HA LEU 9 9.612 1.527 -5.014 44 HB2 LEU 9 HB2 LEU 9 8.495 -0.465 -4.332 45 HB3 LEU 9 HB1 LEU 9 9.854 -0.973 -3.356 46 HG LEU 9 HG LEU 9 9.488 1.107 -1.973 47 HD11 LEU 9 HD11 LEU 9 6.846 1.096 -3.416 48 HD12 LEU 9 HD12 LEU 9 8.127 2.317 -3.581 49 HD13 LEU 9 HD13 LEU 9 7.280 2.113 -2.039 50 HD21 LEU 9 HD21 LEU 9 7.338 -0.993 -1.972 51 HD22 LEU 9 HD22 LEU 9 7.787 0.044 -0.622 52 HD23 LEU 9 HD23 LEU 9 8.931 -1.144 -1.239 53 H ALA 10 HN ALA 10 11.824 -0.382 -3.089 54 HA ALA 10 HA ALA 10 12.579 1.638 -1.268 55 HB1 ALA 10 HB1 ALA 10 14.500 0.169 -0.755 56 HB2 ALA 10 HB2 ALA 10 14.069 -0.835 -2.143 57 HB3 ALA 10 HB3 ALA 10 12.960 -0.689 -0.778 58 H ALA 11 HN ALA 11 13.023 1.680 -4.497 59 HA ALA 11 HA ALA 11 15.552 3.074 -4.478 60 HB1 ALA 11 HB1 ALA 11 15.126 3.360 -6.884 61 HB2 ALA 11 HB2 ALA 11 13.573 2.541 -6.670 62 HB3 ALA 11 HB3 ALA 11 15.083 1.674 -6.367 63 H ARG 12 HN ARG 12 12.038 3.797 -4.863 64 HA ARG 12 HA ARG 12 12.317 6.589 -5.089 65 HB2 ARG 12 HB2 ARG 12 10.204 4.725 -4.107 66 HB3 ARG 12 HB1 ARG 12 9.993 6.446 -3.878 67 HG2 ARG 12 HG2 ARG 12 8.833 6.016 -5.800 68 HG3 ARG 12 HG1 ARG 12 10.396 6.561 -6.410 69 HD2 ARG 12 HD2 ARG 12 11.049 4.423 -7.006 70 HD3 ARG 12 HD1 ARG 12 9.871 3.679 -5.919 71 HE ARG 12 HE ARG 12 8.660 5.223 -8.014 72 HH11 ARG 12 HH11 ARG 12 10.093 2.124 -7.310 73 HH12 ARG 12 HH12 ARG 12 9.117 1.268 -8.462 74 HH21 ARG 12 HH21 ARG 12 7.381 4.111 -9.544 75 HH22 ARG 12 HH22 ARG 12 7.593 2.401 -9.746 76 H LEU 13 HN LEU 13 12.405 4.345 -2.485 77 HA LEU 13 HA LEU 13 12.047 6.292 -0.394 78 HB2 LEU 13 HB2 LEU 13 12.571 3.354 -0.502 79 HB3 LEU 13 HB1 LEU 13 12.668 4.209 1.016 80 HG LEU 13 HG LEU 13 10.339 4.660 1.024 81 HD11 LEU 13 HD11 LEU 13 10.385 3.915 -1.865 82 HD12 LEU 13 HD12 LEU 13 9.858 5.429 -1.112 83 HD13 LEU 13 HD13 LEU 13 8.896 3.963 -0.911 84 HD21 LEU 13 HD21 LEU 13 9.330 2.478 0.855 85 HD22 LEU 13 HD22 LEU 13 10.943 2.351 1.559 86 HD23 LEU 13 HD23 LEU 13 10.678 1.909 -0.127 87 H ASN 14 HN ASN 14 14.579 4.415 -1.828 88 HA ASN 14 HA ASN 14 16.792 5.003 -0.349 89 HB2 ASN 14 HB2 ASN 14 16.183 3.903 -2.805 90 HB3 ASN 14 HB1 ASN 14 17.232 5.250 -3.217 91 HD21 ASN 14 HD21 ASN 14 17.442 2.251 -3.178 92 HD22 ASN 14 HD22 ASN 14 18.957 1.955 -2.399 93 H GLY 15 HN GLY 15 17.715 6.822 0.256 94 HA2 GLY 15 HA2 GLY 15 18.784 8.896 -0.180 95 HA3 GLY 15 HA1 GLY 15 17.728 9.120 -1.569 96 H LEU 16 HN LEU 16 15.631 8.072 0.551 97 HA LEU 16 HA LEU 16 14.922 10.801 1.348 98 HB2 LEU 16 HB2 LEU 16 13.345 8.378 0.634 99 HB3 LEU 16 HB1 LEU 16 12.635 9.543 1.722 100 HG LEU 16 HG LEU 16 11.870 10.004 -0.500 101 HD11 LEU 16 HD11 LEU 16 12.439 12.290 -0.646 102 HD12 LEU 16 HD12 LEU 16 13.997 12.011 0.132 103 HD13 LEU 16 HD13 LEU 16 12.505 11.850 1.067 104 HD21 LEU 16 HD21 LEU 16 14.780 10.181 -1.280 105 HD22 LEU 16 HD22 LEU 16 13.410 10.581 -2.317 106 HD23 LEU 16 HD23 LEU 16 13.646 8.921 -1.771 107 H SER 17 HN SER 17 13.749 11.051 3.364 108 HA SER 17 HA SER 17 14.909 9.596 5.559 109 HB2 SER 17 HB2 SER 17 13.594 11.141 6.932 110 HB3 SER 17 HB1 SER 17 14.400 12.034 5.643 111 HG SER 17 HG SER 17 12.093 12.500 6.028 112 HA PRO 18 HA PRO 18 12.086 6.331 6.260 113 HB2 PRO 18 HB2 PRO 18 11.498 7.633 8.894 114 HB3 PRO 18 HB1 PRO 18 11.879 5.941 8.539 115 HG2 PRO 18 HG2 PRO 18 13.764 7.498 9.532 116 HG3 PRO 18 HG1 PRO 18 14.153 6.404 8.192 117 HD2 PRO 18 HD2 PRO 18 13.712 9.348 8.147 118 HD3 PRO 18 HD1 PRO 18 14.872 8.362 7.236 119 H GLN 19 HN GLN 19 10.815 9.435 7.457 120 HA GLN 19 HA GLN 19 8.068 8.770 7.109 121 HB2 GLN 19 HB2 GLN 19 8.910 10.577 8.599 122 HB3 GLN 19 HB1 GLN 19 9.305 11.517 7.166 123 HG2 GLN 19 HG2 GLN 19 6.859 11.209 6.523 124 HG3 GLN 19 HG1 GLN 19 6.616 10.717 8.197 125 HE21 GLN 19 HE21 GLN 19 5.309 12.476 8.648 126 HE22 GLN 19 HE22 GLN 19 5.937 14.078 8.805 127 H GLN 20 HN GLN 20 10.464 10.264 4.984 128 HA GLN 20 HA GLN 20 8.578 11.086 2.980 129 HB2 GLN 20 HB2 GLN 20 11.569 10.648 2.964 130 HB3 GLN 20 HB1 GLN 20 10.682 11.110 1.516 131 HG2 GLN 20 HG2 GLN 20 10.812 12.700 4.061 132 HG3 GLN 20 HG1 GLN 20 11.754 13.011 2.614 133 HE21 GLN 20 HE21 GLN 20 9.567 12.382 0.803 134 HE22 GLN 20 HE22 GLN 20 8.471 13.713 0.896 135 H GLN 21 HN GLN 21 10.758 8.374 3.463 136 HA GLN 21 HA GLN 21 10.194 6.807 1.253 137 HB2 GLN 21 HB2 GLN 21 10.704 5.992 4.124 138 HB3 GLN 21 HB1 GLN 21 10.790 4.892 2.761 139 HG2 GLN 21 HG2 GLN 21 12.669 6.024 1.863 140 HG3 GLN 21 HG1 GLN 21 12.496 7.360 3.005 141 HE21 GLN 21 HE21 GLN 21 12.114 3.979 3.881 142 HE22 GLN 21 HE22 GLN 21 13.538 3.879 4.858 143 H GLN 22 HN GLN 22 8.495 7.185 4.276 144 HA GLN 22 HA GLN 22 6.480 5.273 3.889 145 HB2 GLN 22 HB2 GLN 22 6.995 6.266 6.050 146 HB3 GLN 22 HB1 GLN 22 6.477 7.824 5.460 147 HG2 GLN 22 HG2 GLN 22 4.303 6.182 5.028 148 HG3 GLN 22 HG1 GLN 22 4.975 5.666 6.571 149 HE21 GLN 22 HE21 GLN 22 5.249 8.946 5.424 150 HE22 GLN 22 HE22 GLN 22 4.176 9.642 6.584 151 H GLN 23 HN GLN 23 6.643 8.719 3.156 152 HA GLN 23 HA GLN 23 4.048 9.166 2.332 153 HB2 GLN 23 HB2 GLN 23 6.601 10.387 1.450 154 HB3 GLN 23 HB1 GLN 23 5.025 11.043 1.027 155 HG2 GLN 23 HG2 GLN 23 4.495 11.303 3.386 156 HG3 GLN 23 HG1 GLN 23 6.054 10.648 3.820 157 HE21 GLN 23 HE21 GLN 23 5.580 12.811 1.123 158 HE22 GLN 23 HE22 GLN 23 6.384 14.171 1.825 159 H THR 24 HN THR 24 6.761 7.978 0.426 160 HA THR 24 HA THR 24 5.577 8.021 -2.107 161 HB THR 24 HB THR 24 7.655 6.341 -0.770 162 HG1 THR 24 HG1 THR 24 7.616 8.317 -2.804 163 HG21 THR 24 HG21 THR 24 6.842 6.036 -3.667 164 HG22 THR 24 HG22 THR 24 6.436 4.883 -2.395 165 HG23 THR 24 HG23 THR 24 8.128 5.162 -2.827 166 H LEU 25 HN LEU 25 5.461 5.522 0.429 167 HA LEU 25 HA LEU 25 3.670 3.821 -1.073 168 HB2 LEU 25 HB2 LEU 25 4.238 3.958 1.872 169 HB3 LEU 25 HB1 LEU 25 3.392 2.660 1.063 170 HG LEU 25 HG LEU 25 6.181 3.301 0.232 171 HD11 LEU 25 HD11 LEU 25 7.061 1.899 1.990 172 HD12 LEU 25 HD12 LEU 25 5.439 1.650 2.641 173 HD13 LEU 25 HD13 LEU 25 6.173 3.254 2.695 174 HD21 LEU 25 HD21 LEU 25 4.931 1.665 -1.036 175 HD22 LEU 25 HD22 LEU 25 4.524 0.789 0.439 176 HD23 LEU 25 HD23 LEU 25 6.195 0.854 -0.114 177 H ALA 26 HN ALA 26 3.490 6.205 1.466 178 HA ALA 26 HA ALA 26 0.704 6.080 1.912 179 HB1 ALA 26 HB1 ALA 26 1.065 7.859 3.394 180 HB2 ALA 26 HB2 ALA 26 2.381 8.520 2.421 181 HB3 ALA 26 HB3 ALA 26 2.640 7.045 3.357 182 H THR 27 HN THR 27 2.105 6.781 -0.810 183 HA THR 27 HA THR 27 0.032 8.657 -1.673 184 HB THR 27 HB THR 27 2.929 8.420 -2.442 185 HG1 THR 27 HG1 THR 27 2.445 10.028 -0.969 186 HG21 THR 27 HG21 THR 27 0.809 9.705 -4.158 187 HG22 THR 27 HG22 THR 27 1.696 8.223 -4.534 188 HG23 THR 27 HG23 THR 27 2.554 9.761 -4.430 189 H LEU 28 HN LEU 28 2.219 6.068 -2.599 190 HA LEU 28 HA LEU 28 0.945 5.263 -4.945 191 HB2 LEU 28 HB2 LEU 28 3.134 4.610 -4.832 192 HB3 LEU 28 HB1 LEU 28 3.012 4.182 -3.144 193 HG LEU 28 HG LEU 28 1.357 2.366 -4.141 194 HD11 LEU 28 HD11 LEU 28 3.397 2.752 -6.306 195 HD12 LEU 28 HD12 LEU 28 1.665 3.059 -6.437 196 HD13 LEU 28 HD13 LEU 28 2.252 1.412 -6.185 197 HD21 LEU 28 HD21 LEU 28 3.389 0.824 -4.165 198 HD22 LEU 28 HD22 LEU 28 2.996 1.701 -2.675 199 HD23 LEU 28 HD23 LEU 28 4.307 2.272 -3.721 200 H VAL 29 HN VAL 29 0.866 4.079 -1.667 201 HA VAL 29 HA VAL 29 -0.767 1.832 -2.163 202 HB VAL 29 HB VAL 29 -0.177 3.410 0.337 203 HG11 VAL 29 HG11 VAL 29 -1.675 0.793 0.184 204 HG12 VAL 29 HG12 VAL 29 -2.429 2.363 0.461 205 HG13 VAL 29 HG13 VAL 29 -1.284 1.713 1.639 206 HG21 VAL 29 HG21 VAL 29 1.642 2.108 -0.705 207 HG22 VAL 29 HG22 VAL 29 0.665 0.648 -0.537 208 HG23 VAL 29 HG23 VAL 29 1.209 1.514 0.900 209 H ALA 30 HN ALA 30 -1.341 5.156 -1.421 210 HA ALA 30 HA ALA 30 -4.169 4.890 -1.123 211 HB1 ALA 30 HB1 ALA 30 -2.447 7.295 -1.595 212 HB2 ALA 30 HB2 ALA 30 -2.944 6.663 -0.024 213 HB3 ALA 30 HB3 ALA 30 -4.146 7.319 -1.136 214 H ALA 31 HN ALA 31 -1.914 5.709 -3.621 215 HA ALA 31 HA ALA 31 -3.714 6.450 -5.649 216 HB1 ALA 31 HB1 ALA 31 -1.396 6.936 -5.918 217 HB2 ALA 31 HB2 ALA 31 -1.794 5.742 -7.158 218 HB3 ALA 31 HB3 ALA 31 -0.943 5.250 -5.682 219 H ALA 32 HN ALA 32 -2.299 3.422 -4.647 220 HA ALA 32 HA ALA 32 -3.537 1.618 -6.327 221 HB1 ALA 32 HB1 ALA 32 -3.312 0.077 -4.323 222 HB2 ALA 32 HB2 ALA 32 -2.701 1.489 -3.445 223 HB3 ALA 32 HB3 ALA 32 -1.840 0.888 -4.863 224 H THR 33 HN THR 33 -4.729 2.907 -3.190 225 HA THR 33 HA THR 33 -7.227 1.485 -3.487 226 HB THR 33 HB THR 33 -6.705 3.771 -1.581 227 HG1 THR 33 HG1 THR 33 -5.037 2.174 -1.382 228 HG21 THR 33 HG21 THR 33 -8.288 2.390 -0.176 229 HG22 THR 33 HG22 THR 33 -8.574 1.402 -1.616 230 HG23 THR 33 HG23 THR 33 -8.992 3.116 -1.621 231 H ALA 34 HN ALA 34 -5.984 4.543 -4.460 232 HA ALA 34 HA ALA 34 -8.460 5.816 -4.954 233 HB1 ALA 34 HB1 ALA 34 -5.779 6.227 -6.284 234 HB2 ALA 34 HB2 ALA 34 -6.355 7.051 -4.832 235 HB3 ALA 34 HB3 ALA 34 -7.164 7.320 -6.379 236 H THR 35 HN THR 35 -6.471 3.529 -6.625 237 HA THR 35 HA THR 35 -7.814 3.532 -9.108 238 HB THR 35 HB THR 35 -5.826 1.860 -7.686 239 HG1 THR 35 HG1 THR 35 -5.199 3.505 -9.139 240 HG21 THR 35 HG21 THR 35 -7.296 0.789 -10.080 241 HG22 THR 35 HG22 THR 35 -7.529 0.246 -8.415 242 HG23 THR 35 HG23 THR 35 -5.963 0.020 -9.212 243 H VAL 36 HN VAL 36 -8.018 1.467 -6.209 244 HA VAL 36 HA VAL 36 -9.791 -0.412 -7.252 245 HB VAL 36 HB VAL 36 -10.315 -0.967 -4.878 246 HG11 VAL 36 HG11 VAL 36 -8.576 -2.194 -5.783 247 HG12 VAL 36 HG12 VAL 36 -7.940 -1.564 -4.264 248 HG13 VAL 36 HG13 VAL 36 -7.490 -0.803 -5.792 249 HG21 VAL 36 HG21 VAL 36 -10.227 0.861 -3.591 250 HG22 VAL 36 HG22 VAL 36 -8.812 1.504 -4.419 251 HG23 VAL 36 HG23 VAL 36 -8.636 0.174 -3.271 252 H LEU 37 HN LEU 37 -10.419 2.730 -5.844 253 HA LEU 37 HA LEU 37 -13.280 2.121 -5.661 254 HB2 LEU 37 HB2 LEU 37 -11.909 4.644 -4.802 255 HB3 LEU 37 HB1 LEU 37 -13.453 4.015 -4.268 256 HG LEU 37 HG LEU 37 -10.826 2.675 -3.702 257 HD11 LEU 37 HD11 LEU 37 -12.427 4.512 -1.946 258 HD12 LEU 37 HD12 LEU 37 -10.884 4.886 -2.713 259 HD13 LEU 37 HD13 LEU 37 -10.975 3.625 -1.486 260 HD21 LEU 37 HD21 LEU 37 -13.588 2.316 -2.566 261 HD22 LEU 37 HD22 LEU 37 -12.135 1.490 -2.002 262 HD23 LEU 37 HD23 LEU 37 -12.739 1.199 -3.633 263 H GLY 38 HN GLY 38 -11.302 3.253 -8.027 264 HA2 GLY 38 HA2 GLY 38 -11.797 4.370 -9.988 265 HA3 GLY 38 HA1 GLY 38 -13.423 4.629 -9.382 266 H HIS 39 HN HIS 39 -11.555 5.786 -6.983 267 HA HIS 39 HA HIS 39 -11.780 8.543 -7.892 268 HB2 HIS 39 HB2 HIS 39 -10.771 7.402 -5.284 269 HB3 HIS 39 HB1 HIS 39 -10.924 9.115 -5.627 270 HD1 HIS 39 HD1 HIS 39 -13.021 10.155 -4.835 271 HD2 HIS 39 HD2 HIS 39 -13.451 6.065 -5.442 272 HE1 HIS 39 HE1 HIS 39 -15.342 9.593 -4.049 273 HE2 HIS 39 HE2 HIS 39 -15.534 7.096 -4.317 274 H HIS 40 HN HIS 40 -10.203 8.427 -9.593 275 HA HIS 40 HA HIS 40 -7.905 6.967 -9.592 276 HB2 HIS 40 HB2 HIS 40 -9.039 8.359 -11.467 277 HB3 HIS 40 HB1 HIS 40 -7.911 9.616 -10.973 278 HD1 HIS 40 HD1 HIS 40 -8.184 7.205 -13.450 279 HD2 HIS 40 HD2 HIS 40 -5.102 8.202 -10.839 280 HE1 HIS 40 HE1 HIS 40 -6.086 6.337 -14.522 281 HE2 HIS 40 HE2 HIS 40 -4.240 6.895 -12.903 282 H THR 41 HN THR 41 -8.207 10.217 -8.190 283 HA THR 41 HA THR 41 -5.327 10.257 -7.803 284 HB THR 41 HB THR 41 -6.335 12.355 -8.524 285 HG1 THR 41 HG1 THR 41 -5.408 13.679 -6.846 286 HG21 THR 41 HG21 THR 41 -7.732 12.303 -5.865 287 HG22 THR 41 HG22 THR 41 -8.515 12.143 -7.440 288 HG23 THR 41 HG23 THR 41 -7.729 13.658 -6.994 289 HA PRO 42 HA PRO 42 -5.415 8.705 -3.682 290 HB2 PRO 42 HB2 PRO 42 -2.992 10.214 -3.136 291 HB3 PRO 42 HB1 PRO 42 -3.197 8.475 -3.328 292 HG2 PRO 42 HG2 PRO 42 -1.900 10.068 -5.135 293 HG3 PRO 42 HG1 PRO 42 -2.671 8.525 -5.521 294 HD2 PRO 42 HD2 PRO 42 -3.640 11.293 -6.077 295 HD3 PRO 42 HD1 PRO 42 -3.847 9.789 -6.993 296 H GLU 43 HN GLU 43 -5.508 11.971 -4.537 297 HA GLU 43 HA GLU 43 -5.471 13.312 -2.098 298 HB2 GLU 43 HB2 GLU 43 -7.031 13.848 -4.612 299 HB3 GLU 43 HB1 GLU 43 -6.983 14.965 -3.255 300 HG2 GLU 43 HG2 GLU 43 -4.625 15.251 -3.520 301 HG3 GLU 43 HG1 GLU 43 -4.587 13.986 -4.746 302 H SER 44 HN SER 44 -7.975 11.358 -3.566 303 HA SER 44 HA SER 44 -9.907 12.129 -1.526 304 HB2 SER 44 HB2 SER 44 -10.548 11.883 -3.949 305 HB3 SER 44 HB1 SER 44 -10.267 10.157 -3.764 306 HG SER 44 HG SER 44 -11.839 10.296 -1.977 307 H ILE 45 HN ILE 45 -7.363 10.304 -1.414 308 HA ILE 45 HA ILE 45 -8.655 8.060 0.002 309 HB ILE 45 HB ILE 45 -5.893 8.060 -1.201 310 HG12 ILE 45 HG12 ILE 45 -7.543 8.245 -2.981 311 HG13 ILE 45 HG11 ILE 45 -6.844 6.634 -2.961 312 HG21 ILE 45 HG21 ILE 45 -5.976 5.655 -0.862 313 HG22 ILE 45 HG22 ILE 45 -7.597 5.788 -0.179 314 HG23 ILE 45 HG23 ILE 45 -6.220 6.496 0.670 315 HD11 ILE 45 HD11 ILE 45 -9.237 6.593 -3.379 316 HD12 ILE 45 HD12 ILE 45 -9.522 7.375 -1.826 317 HD13 ILE 45 HD13 ILE 45 -8.821 5.757 -1.884 318 H SER 46 HN SER 46 -8.737 9.124 2.002 319 HA SER 46 HA SER 46 -6.402 10.238 3.223 320 HB2 SER 46 HB2 SER 46 -8.850 10.799 3.763 321 HB3 SER 46 HB1 SER 46 -8.863 9.287 4.658 322 HG SER 46 HG SER 46 -7.416 11.638 5.178 323 HA PRO 47 HA PRO 47 -4.705 6.414 4.519 324 HB2 PRO 47 HB2 PRO 47 -2.788 7.258 6.125 325 HB3 PRO 47 HB1 PRO 47 -2.819 7.821 4.455 326 HG2 PRO 47 HG2 PRO 47 -3.655 9.235 6.940 327 HG3 PRO 47 HG1 PRO 47 -2.827 9.874 5.515 328 HD2 PRO 47 HD2 PRO 47 -5.591 9.996 6.048 329 HD3 PRO 47 HD1 PRO 47 -4.803 10.356 4.490 330 H ALA 48 HN ALA 48 -6.576 8.254 6.495 331 HA ALA 48 HA ALA 48 -6.269 6.428 8.743 332 HB1 ALA 48 HB1 ALA 48 -5.265 8.696 9.002 333 HB2 ALA 48 HB2 ALA 48 -6.422 8.224 10.255 334 HB3 ALA 48 HB3 ALA 48 -6.908 9.339 8.976 335 H THR 49 HN THR 49 -8.263 7.305 6.347 336 HA THR 49 HA THR 49 -10.780 7.443 7.645 337 HB THR 49 HB THR 49 -9.880 6.891 4.836 338 HG1 THR 49 HG1 THR 49 -11.007 9.045 6.246 339 HG21 THR 49 HG21 THR 49 -11.840 5.523 5.216 340 HG22 THR 49 HG22 THR 49 -12.204 6.860 4.119 341 HG23 THR 49 HG23 THR 49 -12.729 6.930 5.803 342 H ALA 50 HN ALA 50 -8.911 4.933 6.106 343 HA ALA 50 HA ALA 50 -8.720 2.692 6.678 344 HB1 ALA 50 HB1 ALA 50 -11.561 2.836 7.665 345 HB2 ALA 50 HB2 ALA 50 -10.114 2.855 8.679 346 HB3 ALA 50 HB3 ALA 50 -10.500 1.424 7.721 347 H PHE 51 HN PHE 51 -8.914 1.111 5.340 348 HA PHE 51 HA PHE 51 -9.911 1.455 2.773 349 HB2 PHE 51 HB2 PHE 51 -9.249 -1.035 4.327 350 HB3 PHE 51 HB1 PHE 51 -9.612 -1.044 2.601 351 HD1 PHE 51 HD1 PHE 51 -8.303 1.259 1.581 352 HD2 PHE 51 HD2 PHE 51 -7.037 -1.418 4.612 353 HE1 PHE 51 HE1 PHE 51 -5.967 1.790 1.065 354 HE2 PHE 51 HE2 PHE 51 -4.692 -0.894 4.119 355 HZ PHE 51 HZ PHE 51 -4.165 0.823 2.392 356 H LYS 52 HN LYS 52 -11.289 -0.291 5.501 357 HA LYS 52 HA LYS 52 -13.582 -1.285 4.363 358 HB2 LYS 52 HB2 LYS 52 -13.175 -0.051 7.097 359 HB3 LYS 52 HB1 LYS 52 -14.554 -1.046 6.649 360 HG2 LYS 52 HG2 LYS 52 -12.921 -2.887 6.141 361 HG3 LYS 52 HG1 LYS 52 -11.663 -1.858 6.816 362 HD2 LYS 52 HD2 LYS 52 -14.122 -2.736 8.325 363 HD3 LYS 52 HD1 LYS 52 -12.559 -3.546 8.404 364 HE2 LYS 52 HE2 LYS 52 -11.530 -1.533 9.245 365 HE3 LYS 52 HE1 LYS 52 -13.069 -0.678 9.150 366 HZ1 LYS 52 HZ1 LYS 52 -13.961 -2.328 10.743 367 HZ2 LYS 52 HZ2 LYS 52 -12.711 -1.390 11.386 368 HZ3 LYS 52 HZ3 LYS 52 -12.405 -2.981 10.904 369 H ASP 53 HN ASP 53 -12.880 1.884 5.671 370 HA ASP 53 HA ASP 53 -15.536 2.877 5.316 371 HB2 ASP 53 HB2 ASP 53 -12.930 4.160 6.150 372 HB3 ASP 53 HB1 ASP 53 -14.435 5.069 5.996 373 H LEU 54 HN LEU 54 -12.942 2.405 3.312 374 HA LEU 54 HA LEU 54 -13.323 4.757 1.643 375 HB2 LEU 54 HB2 LEU 54 -11.299 2.582 1.840 376 HB3 LEU 54 HB1 LEU 54 -11.423 3.466 0.341 377 HG LEU 54 HG LEU 54 -11.016 4.814 3.009 378 HD11 LEU 54 HD11 LEU 54 -8.641 4.972 2.386 379 HD12 LEU 54 HD12 LEU 54 -8.946 3.885 1.032 380 HD13 LEU 54 HD13 LEU 54 -9.161 3.314 2.688 381 HD21 LEU 54 HD21 LEU 54 -11.857 6.237 1.250 382 HD22 LEU 54 HD22 LEU 54 -10.584 5.684 0.165 383 HD23 LEU 54 HD23 LEU 54 -10.173 6.632 1.593 384 H GLY 55 HN GLY 55 -14.101 1.382 1.723 385 HA2 GLY 55 HA2 GLY 55 -15.993 0.814 0.204 386 HA3 GLY 55 HA1 GLY 55 -15.051 1.575 -1.071 387 H ILE 56 HN ILE 56 -12.885 0.115 0.882 388 HA ILE 56 HA ILE 56 -12.277 -2.004 -0.869 389 HB ILE 56 HB ILE 56 -11.438 -1.382 1.944 390 HG12 ILE 56 HG12 ILE 56 -10.128 -0.027 0.712 391 HG13 ILE 56 HG11 ILE 56 -9.163 -1.481 0.576 392 HG21 ILE 56 HG21 ILE 56 -9.726 -3.223 1.564 393 HG22 ILE 56 HG22 ILE 56 -10.880 -3.838 0.379 394 HG23 ILE 56 HG23 ILE 56 -11.359 -3.656 2.071 395 HD11 ILE 56 HD11 ILE 56 -10.316 -1.950 -1.586 396 HD12 ILE 56 HD12 ILE 56 -9.288 -0.520 -1.564 397 HD13 ILE 56 HD13 ILE 56 -11.041 -0.340 -1.459 398 H ASP 57 HN ASP 57 -13.062 -3.968 -1.045 399 HA ASP 57 HA ASP 57 -14.219 -5.384 1.173 400 HB2 ASP 57 HB2 ASP 57 -16.157 -4.023 0.414 401 HB3 ASP 57 HB1 ASP 57 -15.991 -4.721 -1.193 402 H SER 58 HN SER 58 -12.747 -6.950 0.816 403 HA SER 58 HA SER 58 -11.804 -8.812 -0.021 404 HB2 SER 58 HB2 SER 58 -13.321 -10.384 -1.232 405 HB3 SER 58 HB1 SER 58 -13.971 -9.767 0.282 406 HG SER 58 HG SER 58 -15.254 -8.322 -0.916 407 H LEU 59 HN LEU 59 -13.737 -8.204 -2.927 408 HA LEU 59 HA LEU 59 -11.854 -8.815 -4.836 409 HB2 LEU 59 HB2 LEU 59 -14.000 -6.702 -4.912 410 HB3 LEU 59 HB1 LEU 59 -13.134 -7.262 -6.326 411 HG LEU 59 HG LEU 59 -14.935 -8.940 -4.575 412 HD11 LEU 59 HD11 LEU 59 -16.126 -7.279 -5.897 413 HD12 LEU 59 HD12 LEU 59 -16.429 -8.911 -6.501 414 HD13 LEU 59 HD13 LEU 59 -15.309 -7.845 -7.353 415 HD21 LEU 59 HD21 LEU 59 -13.468 -9.608 -7.125 416 HD22 LEU 59 HD22 LEU 59 -14.669 -10.632 -6.341 417 HD23 LEU 59 HD23 LEU 59 -13.147 -10.278 -5.526 418 H THR 60 HN THR 60 -12.553 -5.587 -3.529 419 HA THR 60 HA THR 60 -10.360 -4.473 -5.054 420 HB THR 60 HB THR 60 -11.068 -2.356 -3.730 421 HG1 THR 60 HG1 THR 60 -13.561 -2.885 -3.439 422 HG21 THR 60 HG21 THR 60 -12.870 -1.988 -5.389 423 HG22 THR 60 HG22 THR 60 -12.820 -3.711 -5.786 424 HG23 THR 60 HG23 THR 60 -11.412 -2.688 -6.106 425 H ALA 61 HN ALA 61 -10.835 -5.810 -1.974 426 HA ALA 61 HA ALA 61 -8.540 -4.588 -0.763 427 HB1 ALA 61 HB1 ALA 61 -8.785 -6.200 0.984 428 HB2 ALA 61 HB2 ALA 61 -9.821 -7.218 -0.022 429 HB3 ALA 61 HB3 ALA 61 -10.401 -5.645 0.531 430 H LEU 62 HN LEU 62 -9.227 -7.472 -2.675 431 HA LEU 62 HA LEU 62 -6.551 -8.449 -2.570 432 HB2 LEU 62 HB2 LEU 62 -8.924 -9.563 -3.139 433 HB3 LEU 62 HB1 LEU 62 -8.384 -9.201 -4.758 434 HG LEU 62 HG LEU 62 -7.635 -11.365 -4.520 435 HD11 LEU 62 HD11 LEU 62 -5.324 -9.813 -3.355 436 HD12 LEU 62 HD12 LEU 62 -5.709 -9.945 -5.072 437 HD13 LEU 62 HD13 LEU 62 -5.240 -11.383 -4.161 438 HD21 LEU 62 HD21 LEU 62 -6.741 -12.294 -2.436 439 HD22 LEU 62 HD22 LEU 62 -8.376 -11.661 -2.246 440 HD23 LEU 62 HD23 LEU 62 -6.998 -10.736 -1.650 441 H GLU 63 HN GLU 63 -8.499 -6.552 -4.922 442 HA GLU 63 HA GLU 63 -6.474 -6.373 -6.855 443 HB2 GLU 63 HB2 GLU 63 -8.575 -5.846 -7.651 444 HB3 GLU 63 HB1 GLU 63 -9.041 -5.028 -6.171 445 HG2 GLU 63 HG2 GLU 63 -8.929 -3.376 -7.801 446 HG3 GLU 63 HG1 GLU 63 -7.486 -3.224 -6.797 447 H LEU 64 HN LEU 64 -7.292 -4.502 -3.951 448 HA LEU 64 HA LEU 64 -5.358 -2.500 -4.137 449 HB2 LEU 64 HB2 LEU 64 -7.054 -3.532 -2.120 450 HB3 LEU 64 HB1 LEU 64 -5.416 -3.649 -1.492 451 HG LEU 64 HG LEU 64 -6.792 -1.139 -2.432 452 HD11 LEU 64 HD11 LEU 64 -5.769 -1.875 0.309 453 HD12 LEU 64 HD12 LEU 64 -7.445 -2.106 -0.196 454 HD13 LEU 64 HD13 LEU 64 -6.755 -0.480 -0.142 455 HD21 LEU 64 HD21 LEU 64 -4.746 -0.001 -1.721 456 HD22 LEU 64 HD22 LEU 64 -4.423 -1.144 -3.031 457 HD23 LEU 64 HD23 LEU 64 -4.007 -1.565 -1.371 458 H ARG 65 HN ARG 65 -5.279 -5.742 -2.995 459 HA ARG 65 HA ARG 65 -2.641 -5.872 -2.054 460 HB2 ARG 65 HB2 ARG 65 -4.284 -7.505 -1.364 461 HB3 ARG 65 HB1 ARG 65 -4.502 -8.050 -3.022 462 HG2 ARG 65 HG2 ARG 65 -1.805 -8.256 -1.754 463 HG3 ARG 65 HG1 ARG 65 -3.056 -9.425 -1.331 464 HD2 ARG 65 HD2 ARG 65 -3.261 -10.135 -3.602 465 HD3 ARG 65 HD1 ARG 65 -2.244 -8.811 -4.168 466 HE ARG 65 HE ARG 65 -0.810 -10.392 -2.328 467 HH11 ARG 65 HH11 ARG 65 -2.114 -10.584 -5.574 468 HH12 ARG 65 HH12 ARG 65 -0.848 -11.609 -6.158 469 HH21 ARG 65 HH21 ARG 65 0.848 -11.755 -3.095 470 HH22 ARG 65 HH22 ARG 65 0.845 -12.276 -4.747 471 H ASN 66 HN ASN 66 -4.076 -6.887 -5.083 472 HA ASN 66 HA ASN 66 -1.847 -7.824 -6.410 473 HB2 ASN 66 HB2 ASN 66 -4.482 -6.741 -7.195 474 HB3 ASN 66 HB1 ASN 66 -3.268 -6.787 -8.457 475 HD21 ASN 66 HD21 ASN 66 -5.352 -8.588 -6.440 476 HD22 ASN 66 HD22 ASN 66 -5.052 -10.132 -7.150 477 H THR 67 HN THR 67 -2.978 -4.474 -6.088 478 HA THR 67 HA THR 67 -0.971 -3.472 -7.872 479 HB THR 67 HB THR 67 -2.660 -2.017 -5.849 480 HG1 THR 67 HG1 THR 67 -4.048 -2.751 -7.375 481 HG21 THR 67 HG21 THR 67 -0.675 -0.719 -6.407 482 HG22 THR 67 HG22 THR 67 -2.100 0.003 -7.157 483 HG23 THR 67 HG23 THR 67 -0.986 -0.958 -8.127 484 H LEU 68 HN LEU 68 -1.398 -3.403 -4.350 485 HA LEU 68 HA LEU 68 0.883 -2.048 -3.604 486 HB2 LEU 68 HB2 LEU 68 -0.192 -4.489 -2.200 487 HB3 LEU 68 HB1 LEU 68 0.731 -3.192 -1.482 488 HG LEU 68 HG LEU 68 -1.980 -2.740 -2.677 489 HD11 LEU 68 HD11 LEU 68 -1.943 -4.532 -0.911 490 HD12 LEU 68 HD12 LEU 68 -2.953 -3.134 -0.565 491 HD13 LEU 68 HD13 LEU 68 -1.379 -3.297 0.213 492 HD21 LEU 68 HD21 LEU 68 -1.961 -0.784 -1.243 493 HD22 LEU 68 HD22 LEU 68 -0.538 -0.778 -2.285 494 HD23 LEU 68 HD23 LEU 68 -0.390 -1.247 -0.591 495 H THR 69 HN THR 69 0.510 -5.571 -3.711 496 HA THR 69 HA THR 69 3.137 -6.210 -3.120 497 HB THR 69 HB THR 69 0.740 -7.583 -3.814 498 HG1 THR 69 HG1 THR 69 3.177 -8.749 -2.934 499 HG21 THR 69 HG21 THR 69 1.562 -9.477 -5.104 500 HG22 THR 69 HG22 THR 69 3.140 -8.705 -5.266 501 HG23 THR 69 HG23 THR 69 1.723 -7.984 -6.034 502 H HIS 70 HN HIS 70 1.664 -5.334 -6.160 503 HA HIS 70 HA HIS 70 3.806 -6.231 -7.805 504 HB2 HIS 70 HB2 HIS 70 1.503 -5.916 -8.663 505 HB3 HIS 70 HB1 HIS 70 1.638 -4.195 -8.362 506 HD1 HIS 70 HD1 HIS 70 2.474 -6.810 -10.827 507 HD2 HIS 70 HD2 HIS 70 3.392 -2.818 -10.146 508 HE1 HIS 70 HE1 HIS 70 3.466 -5.973 -12.980 509 HE2 HIS 70 HE2 HIS 70 3.840 -3.511 -12.600 510 H ASN 71 HN ASN 71 2.942 -3.163 -6.301 511 HA ASN 71 HA ASN 71 5.090 -1.746 -7.578 512 HB2 ASN 71 HB2 ASN 71 3.081 -0.974 -5.508 513 HB3 ASN 71 HB1 ASN 71 4.386 0.104 -6.001 514 HD21 ASN 71 HD21 ASN 71 1.471 -1.476 -6.946 515 HD22 ASN 71 HD22 ASN 71 1.182 -0.539 -8.366 516 H THR 72 HN THR 72 4.784 -3.596 -4.720 517 HA THR 72 HA THR 72 7.173 -2.323 -3.592 518 HB THR 72 HB THR 72 6.418 -3.221 -1.424 519 HG1 THR 72 HG1 THR 72 3.961 -3.854 -2.704 520 HG21 THR 72 HG21 THR 72 5.616 -0.974 -2.593 521 HG22 THR 72 HG22 THR 72 4.944 -1.486 -1.046 522 HG23 THR 72 HG23 THR 72 4.049 -1.787 -2.538 523 H GLY 73 HN GLY 73 5.956 -5.169 -5.008 524 HA2 GLY 73 HA2 GLY 73 7.398 -6.797 -5.878 525 HA3 GLY 73 HA1 GLY 73 8.663 -6.152 -4.854 526 H LEU 74 HN LEU 74 5.968 -6.566 -3.039 527 HA LEU 74 HA LEU 74 7.259 -8.728 -1.639 528 HB2 LEU 74 HB2 LEU 74 5.918 -6.483 -0.869 529 HB3 LEU 74 HB1 LEU 74 4.689 -7.711 -0.649 530 HG LEU 74 HG LEU 74 6.417 -9.008 0.678 531 HD11 LEU 74 HD11 LEU 74 8.268 -7.573 -0.330 532 HD12 LEU 74 HD12 LEU 74 8.368 -7.929 1.401 533 HD13 LEU 74 HD13 LEU 74 7.798 -6.351 0.855 534 HD21 LEU 74 HD21 LEU 74 4.544 -7.712 1.669 535 HD22 LEU 74 HD22 LEU 74 5.624 -6.323 1.788 536 HD23 LEU 74 HD23 LEU 74 5.973 -7.793 2.695 537 H ASP 75 HN ASP 75 6.000 -10.459 -0.734 538 HA ASP 75 HA ASP 75 4.042 -11.486 -2.679 539 HB2 ASP 75 HB2 ASP 75 6.193 -12.656 -2.761 540 HB3 ASP 75 HB1 ASP 75 6.073 -12.964 -1.039 541 H LEU 76 HN LEU 76 2.651 -10.228 -1.170 542 HA LEU 76 HA LEU 76 2.021 -11.719 1.283 543 HB2 LEU 76 HB2 LEU 76 2.629 -9.109 1.084 544 HB3 LEU 76 HB1 LEU 76 0.904 -9.009 0.807 545 HG LEU 76 HG LEU 76 1.477 -8.605 3.153 546 HD11 LEU 76 HD11 LEU 76 -0.079 -10.168 4.182 547 HD12 LEU 76 HD12 LEU 76 -0.003 -11.194 2.750 548 HD13 LEU 76 HD13 LEU 76 -0.693 -9.577 2.639 549 HD21 LEU 76 HD21 LEU 76 3.493 -10.004 3.237 550 HD22 LEU 76 HD22 LEU 76 2.481 -11.447 3.170 551 HD23 LEU 76 HD23 LEU 76 2.376 -10.360 4.553 552 HA PRO 77 HA PRO 77 -1.656 -12.974 -1.039 553 HB2 PRO 77 HB2 PRO 77 -2.280 -14.337 1.503 554 HB3 PRO 77 HB1 PRO 77 -2.066 -15.021 -0.109 555 HG2 PRO 77 HG2 PRO 77 -0.251 -15.403 1.813 556 HG3 PRO 77 HG1 PRO 77 0.225 -15.187 0.117 557 HD2 PRO 77 HD2 PRO 77 0.269 -13.206 2.364 558 HD3 PRO 77 HD1 PRO 77 1.492 -13.521 1.114 559 HA PRO 78 HA PRO 78 -5.233 -10.656 0.472 560 HB2 PRO 78 HB2 PRO 78 -6.964 -12.602 1.488 561 HB3 PRO 78 HB1 PRO 78 -6.911 -12.023 -0.179 562 HG2 PRO 78 HG2 PRO 78 -5.677 -14.459 1.024 563 HG3 PRO 78 HG1 PRO 78 -6.435 -14.248 -0.566 564 HD2 PRO 78 HD2 PRO 78 -3.794 -14.347 -0.335 565 HD3 PRO 78 HD1 PRO 78 -4.554 -13.203 -1.458 566 H THR 79 HN THR 79 -6.965 -10.734 2.506 567 HA THR 79 HA THR 79 -7.207 -10.022 4.565 568 HB THR 79 HB THR 79 -6.257 -11.343 6.434 569 HG1 THR 79 HG1 THR 79 -4.596 -12.251 4.480 570 HG21 THR 79 HG21 THR 79 -7.486 -13.401 5.900 571 HG22 THR 79 HG22 THR 79 -7.550 -12.907 4.208 572 HG23 THR 79 HG23 THR 79 -8.377 -11.951 5.438 573 H LEU 80 HN LEU 80 -4.764 -9.090 2.956 574 HA LEU 80 HA LEU 80 -3.017 -8.049 4.960 575 HB2 LEU 80 HB2 LEU 80 -2.341 -8.369 2.607 576 HB3 LEU 80 HB1 LEU 80 -3.480 -7.131 2.119 577 HG LEU 80 HG LEU 80 -2.213 -5.439 3.327 578 HD11 LEU 80 HD11 LEU 80 -1.381 -6.776 5.163 579 HD12 LEU 80 HD12 LEU 80 -0.037 -5.999 4.326 580 HD13 LEU 80 HD13 LEU 80 -0.372 -7.709 4.058 581 HD21 LEU 80 HD21 LEU 80 -0.471 -7.139 1.546 582 HD22 LEU 80 HD22 LEU 80 -0.196 -5.444 1.948 583 HD23 LEU 80 HD23 LEU 80 -1.615 -5.909 1.010 584 H ILE 81 HN ILE 81 -5.847 -6.861 3.238 585 HA ILE 81 HA ILE 81 -5.827 -4.248 4.398 586 HB ILE 81 HB ILE 81 -8.232 -5.763 3.352 587 HG12 ILE 81 HG12 ILE 81 -6.713 -5.706 1.548 588 HG13 ILE 81 HG11 ILE 81 -7.781 -4.339 1.301 589 HG21 ILE 81 HG21 ILE 81 -8.422 -3.538 4.719 590 HG22 ILE 81 HG22 ILE 81 -9.378 -3.793 3.257 591 HG23 ILE 81 HG23 ILE 81 -7.907 -2.817 3.184 592 HD11 ILE 81 HD11 ILE 81 -5.062 -4.202 2.547 593 HD12 ILE 81 HD12 ILE 81 -6.130 -2.846 2.183 594 HD13 ILE 81 HD13 ILE 81 -5.445 -3.809 0.871 595 H PHE 82 HN PHE 82 -7.114 -7.331 5.314 596 HA PHE 82 HA PHE 82 -8.647 -6.465 7.513 597 HB2 PHE 82 HB2 PHE 82 -7.442 -9.157 6.842 598 HB3 PHE 82 HB1 PHE 82 -8.616 -8.878 8.119 599 HD1 PHE 82 HD1 PHE 82 -10.815 -9.282 7.656 600 HD2 PHE 82 HD2 PHE 82 -8.224 -8.195 4.452 601 HE1 PHE 82 HE1 PHE 82 -12.664 -9.564 6.063 602 HE2 PHE 82 HE2 PHE 82 -10.070 -8.483 2.861 603 HZ PHE 82 HZ PHE 82 -12.292 -9.163 3.659 604 H ASP 83 HN ASP 83 -5.288 -7.427 7.119 605 HA ASP 83 HA ASP 83 -4.747 -7.306 9.957 606 HB2 ASP 83 HB2 ASP 83 -3.531 -8.829 8.335 607 HB3 ASP 83 HB1 ASP 83 -2.736 -7.396 7.699 608 H HIS 84 HN HIS 84 -4.514 -5.247 7.169 609 HA HIS 84 HA HIS 84 -3.680 -3.012 8.894 610 HB2 HIS 84 HB2 HIS 84 -2.630 -3.723 6.159 611 HB3 HIS 84 HB1 HIS 84 -2.400 -2.143 6.880 612 HD1 HIS 84 HD1 HIS 84 -0.688 -1.993 8.851 613 HD2 HIS 84 HD2 HIS 84 -1.111 -5.794 7.224 614 HE1 HIS 84 HE1 HIS 84 1.219 -3.333 9.775 615 HE2 HIS 84 HE2 HIS 84 0.805 -5.679 8.958 616 HA PRO 85 HA PRO 85 -7.530 -2.165 6.726 617 HB2 PRO 85 HB2 PRO 85 -8.858 -0.987 8.699 618 HB3 PRO 85 HB1 PRO 85 -8.464 -2.709 8.776 619 HG2 PRO 85 HG2 PRO 85 -7.120 -0.398 10.118 620 HG3 PRO 85 HG1 PRO 85 -7.509 -1.999 10.772 621 HD2 PRO 85 HD2 PRO 85 -5.031 -1.236 9.772 622 HD3 PRO 85 HD1 PRO 85 -5.585 -2.912 9.955 623 H THR 86 HN THR 86 -5.135 0.111 7.348 624 HA THR 86 HA THR 86 -6.834 2.146 6.103 625 HB THR 86 HB THR 86 -5.718 3.921 7.326 626 HG1 THR 86 HG1 THR 86 -4.510 2.722 9.311 627 HG21 THR 86 HG21 THR 86 -6.565 3.480 9.610 628 HG22 THR 86 HG22 THR 86 -6.814 1.792 9.165 629 HG23 THR 86 HG23 THR 86 -7.732 3.063 8.358 630 HA PRO 87 HA PRO 87 -3.597 2.518 3.042 631 HB2 PRO 87 HB2 PRO 87 -3.741 5.453 3.368 632 HB3 PRO 87 HB1 PRO 87 -3.893 4.473 1.911 633 HG2 PRO 87 HG2 PRO 87 -6.040 5.597 3.050 634 HG3 PRO 87 HG1 PRO 87 -6.119 3.999 2.287 635 HD2 PRO 87 HD2 PRO 87 -6.049 4.718 5.184 636 HD3 PRO 87 HD1 PRO 87 -6.908 3.398 4.363 637 H HIS 88 HN HIS 88 -3.426 4.525 5.934 638 HA HIS 88 HA HIS 88 -0.628 4.845 6.051 639 HB2 HIS 88 HB2 HIS 88 -2.246 6.059 7.488 640 HB3 HIS 88 HB1 HIS 88 -2.628 4.557 8.309 641 HD1 HIS 88 HD1 HIS 88 0.545 6.581 7.647 642 HD2 HIS 88 HD2 HIS 88 -1.320 4.377 10.637 643 HE1 HIS 88 HE1 HIS 88 2.068 6.725 9.640 644 HE2 HIS 88 HE2 HIS 88 0.808 5.572 11.493 645 H ALA 89 HN ALA 89 -2.761 2.412 7.514 646 HA ALA 89 HA ALA 89 -0.856 0.796 8.707 647 HB1 ALA 89 HB1 ALA 89 -2.539 -0.965 8.642 648 HB2 ALA 89 HB2 ALA 89 -3.471 -0.029 7.469 649 HB3 ALA 89 HB3 ALA 89 -3.242 0.585 9.110 650 H LEU 90 HN LEU 90 -2.390 0.188 5.509 651 HA LEU 90 HA LEU 90 -0.855 -1.960 4.730 652 HB2 LEU 90 HB2 LEU 90 -2.639 -0.145 3.506 653 HB3 LEU 90 HB1 LEU 90 -1.220 -0.215 2.501 654 HG LEU 90 HG LEU 90 -1.459 -2.553 2.140 655 HD11 LEU 90 HD11 LEU 90 -3.704 -2.441 4.143 656 HD12 LEU 90 HD12 LEU 90 -2.157 -3.263 4.338 657 HD13 LEU 90 HD13 LEU 90 -3.309 -3.827 3.135 658 HD21 LEU 90 HD21 LEU 90 -3.669 -2.633 1.092 659 HD22 LEU 90 HD22 LEU 90 -2.827 -1.123 0.750 660 HD23 LEU 90 HD23 LEU 90 -4.120 -1.163 1.949 661 H THR 91 HN THR 91 -0.177 1.465 4.386 662 HA THR 91 HA THR 91 2.204 1.233 2.980 663 HB THR 91 HB THR 91 1.121 3.334 4.849 664 HG1 THR 91 HG1 THR 91 0.120 3.486 2.946 665 HG21 THR 91 HG21 THR 91 3.399 3.699 5.183 666 HG22 THR 91 HG22 THR 91 2.987 4.806 3.871 667 HG23 THR 91 HG23 THR 91 3.806 3.284 3.521 668 H GLN 92 HN GLN 92 1.578 1.458 6.457 669 HA GLN 92 HA GLN 92 4.155 1.324 7.439 670 HB2 GLN 92 HB2 GLN 92 1.622 0.116 8.561 671 HB3 GLN 92 HB1 GLN 92 3.108 0.305 9.473 672 HG2 GLN 92 HG2 GLN 92 2.911 2.792 8.944 673 HG3 GLN 92 HG1 GLN 92 1.268 2.421 8.435 674 HE21 GLN 92 HE21 GLN 92 3.451 2.615 11.122 675 HE22 GLN 92 HE22 GLN 92 2.253 2.520 12.365 676 H HIS 93 HN HIS 93 2.043 -1.264 6.351 677 HA HIS 93 HA HIS 93 3.579 -3.454 7.170 678 HB2 HIS 93 HB2 HIS 93 1.340 -3.830 6.440 679 HB3 HIS 93 HB1 HIS 93 1.651 -3.089 4.876 680 HD1 HIS 93 HD1 HIS 93 2.567 -6.212 6.838 681 HD2 HIS 93 HD2 HIS 93 2.403 -4.821 2.914 682 HE1 HIS 93 HE1 HIS 93 3.031 -8.212 5.389 683 HE2 HIS 93 HE2 HIS 93 2.760 -7.382 3.029 684 H LEU 94 HN LEU 94 3.557 -1.800 3.991 685 HA LEU 94 HA LEU 94 5.678 -3.482 3.005 686 HB2 LEU 94 HB2 LEU 94 4.464 -0.954 1.869 687 HB3 LEU 94 HB1 LEU 94 5.510 -2.068 1.006 688 HG LEU 94 HG LEU 94 2.893 -2.948 2.195 689 HD11 LEU 94 HD11 LEU 94 2.656 -1.040 0.546 690 HD12 LEU 94 HD12 LEU 94 1.745 -2.517 0.236 691 HD13 LEU 94 HD13 LEU 94 3.218 -2.187 -0.682 692 HD21 LEU 94 HD21 LEU 94 4.557 -4.675 1.569 693 HD22 LEU 94 HD22 LEU 94 4.545 -4.056 -0.089 694 HD23 LEU 94 HD23 LEU 94 3.084 -4.766 0.604 695 H HIS 95 HN HIS 95 5.506 -0.478 4.704 696 HA HIS 95 HA HIS 95 8.114 0.484 3.880 697 HB2 HIS 95 HB2 HIS 95 6.255 2.008 4.656 698 HB3 HIS 95 HB1 HIS 95 6.429 1.318 6.261 699 HD1 HIS 95 HD1 HIS 95 8.494 2.011 7.639 700 HD2 HIS 95 HD2 HIS 95 8.252 3.846 3.916 701 HE1 HIS 95 HE1 HIS 95 10.143 3.897 7.714 702 HE2 HIS 95 HE2 HIS 95 9.760 5.147 5.569 703 H THR 96 HN THR 96 6.733 -1.602 6.240 704 HA THR 96 HA THR 96 9.047 -1.622 7.954 705 HB THR 96 HB THR 96 6.275 -2.675 7.980 706 HG1 THR 96 HG1 THR 96 7.830 -1.885 10.205 707 HG21 THR 96 HG21 THR 96 8.409 -4.006 9.621 708 HG22 THR 96 HG22 THR 96 7.622 -4.714 8.209 709 HG23 THR 96 HG23 THR 96 6.678 -4.339 9.652 710 H ARG 97 HN ARG 97 7.392 -3.620 5.559 711 HA ARG 97 HA ARG 97 8.991 -5.899 5.836 712 HB2 ARG 97 HB2 ARG 97 7.145 -4.893 3.735 713 HB3 ARG 97 HB1 ARG 97 8.141 -6.308 3.409 714 HG2 ARG 97 HG2 ARG 97 6.397 -6.030 5.814 715 HG3 ARG 97 HG1 ARG 97 5.862 -6.803 4.321 716 HD2 ARG 97 HD2 ARG 97 7.755 -8.375 4.519 717 HD3 ARG 97 HD1 ARG 97 8.195 -7.634 6.050 718 HE ARG 97 HE ARG 97 5.518 -8.495 6.156 719 HH11 ARG 97 HH11 ARG 97 8.797 -9.720 6.175 720 HH12 ARG 97 HH12 ARG 97 8.377 -11.199 6.982 721 HH21 ARG 97 HH21 ARG 97 4.956 -10.443 7.223 722 HH22 ARG 97 HH22 ARG 97 6.188 -11.611 7.576 723 H LEU 98 HN LEU 98 9.627 -2.926 4.309 724 HA LEU 98 HA LEU 98 11.635 -3.714 2.528 725 HB2 LEU 98 HB2 LEU 98 10.917 -1.234 3.895 726 HB3 LEU 98 HB1 LEU 98 12.596 -1.345 3.437 727 HG LEU 98 HG LEU 98 12.003 -0.573 1.431 728 HD11 LEU 98 HD11 LEU 98 10.439 -3.132 1.120 729 HD12 LEU 98 HD12 LEU 98 12.177 -2.957 0.849 730 HD13 LEU 98 HD13 LEU 98 11.033 -2.094 -0.177 731 HD21 LEU 98 HD21 LEU 98 9.703 -0.246 0.756 732 HD22 LEU 98 HD22 LEU 98 9.966 0.301 2.413 733 HD23 LEU 98 HD23 LEU 98 9.161 -1.240 2.109 734 H THR 99 HN THR 99 11.704 -3.182 5.980 735 HA THR 99 HA THR 99 14.551 -3.910 6.070 736 HB THR 99 HB THR 99 14.190 -1.839 7.102 737 HG1 THR 99 HG1 THR 99 14.687 -2.256 9.314 738 HG21 THR 99 HG21 THR 99 11.904 -3.047 8.629 739 HG22 THR 99 HG22 THR 99 11.786 -1.887 7.302 740 HG23 THR 99 HG23 THR 99 12.518 -1.407 8.837 741 H GLN 100 HN GLN 100 11.698 -5.261 6.185 742 HA GLN 100 HA GLN 100 12.504 -7.422 8.011 743 HB2 GLN 100 HB2 GLN 100 9.716 -6.385 7.584 744 HB3 GLN 100 HB1 GLN 100 10.150 -7.743 8.597 745 HG2 GLN 100 HG2 GLN 100 11.494 -5.188 9.143 746 HG3 GLN 100 HG1 GLN 100 9.786 -5.295 9.506 747 HE21 GLN 100 HE21 GLN 100 9.919 -8.140 10.175 748 HE22 GLN 100 HE22 GLN 100 10.686 -8.226 11.721 749 H SER 101 HN SER 101 13.335 -7.898 5.638 750 HA SER 101 HA SER 101 11.284 -9.539 4.329 751 HB2 SER 101 HB2 SER 101 11.552 -7.394 3.129 752 HB3 SER 101 HB1 SER 101 13.257 -7.763 2.875 753 HG SER 101 HG SER 101 11.475 -8.345 1.208 754 H HIS 102 HN HIS 102 12.885 -10.492 2.262 755 HA HIS 102 HA HIS 102 14.754 -12.175 3.777 756 HB2 HIS 102 HB2 HIS 102 13.364 -12.627 1.151 757 HB3 HIS 102 HB1 HIS 102 14.586 -13.696 1.782 758 HD1 HIS 102 HD1 HIS 102 13.609 -15.678 2.862 759 HD2 HIS 102 HD2 HIS 102 11.157 -12.347 3.269 760 HE1 HIS 102 HE1 HIS 102 11.579 -16.482 4.101 761 HE2 HIS 102 HE2 HIS 102 10.027 -14.501 4.157 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 5.871 -10.141 -16.778 2 H2 GLY 1 HT2 GLY 1 6.492 -11.704 -16.931 3 H3 GLY 1 HT3 GLY 1 7.529 -10.372 -16.998 4 HA2 GLY 1 HA1 GLY 1 5.955 -11.198 -14.628 5 HA3 GLY 1 HA2 GLY 1 7.672 -11.498 -14.858 6 H ALA 2 HN ALA 2 6.855 -10.144 -12.646 7 HA ALA 2 HA ALA 2 7.289 -7.310 -13.204 8 HB1 ALA 2 HB1 ALA 2 6.674 -8.698 -10.596 9 HB2 ALA 2 HB2 ALA 2 5.501 -7.896 -11.642 10 HB3 ALA 2 HB3 ALA 2 6.762 -6.954 -10.845 11 H ALA 3 HN ALA 3 8.891 -10.116 -12.056 12 HA ALA 3 HA ALA 3 11.012 -10.606 -11.454 13 HB1 ALA 3 HB1 ALA 3 11.694 -9.238 -13.357 14 HB2 ALA 3 HB2 ALA 3 12.832 -9.091 -12.018 15 HB3 ALA 3 HB3 ALA 3 11.674 -7.801 -12.336 16 H SER 4 HN SER 4 10.606 -7.198 -10.537 17 HA SER 4 HA SER 4 10.289 -7.589 -7.819 18 HB2 SER 4 HB2 SER 4 12.603 -8.469 -7.829 19 HB3 SER 4 HB1 SER 4 13.159 -6.951 -8.527 20 HG SER 4 HG SER 4 13.284 -7.247 -6.134 21 H ALA 5 HN ALA 5 8.930 -5.872 -7.842 22 HA ALA 5 HA ALA 5 10.040 -3.284 -8.612 23 HB1 ALA 5 HB1 ALA 5 7.741 -3.768 -9.303 24 HB2 ALA 5 HB2 ALA 5 7.805 -2.397 -8.196 25 HB3 ALA 5 HB3 ALA 5 7.277 -3.976 -7.615 26 H ALA 6 HN ALA 6 10.445 -5.232 -6.158 27 HA ALA 6 HA ALA 6 10.050 -3.445 -3.922 28 HB1 ALA 6 HB1 ALA 6 9.926 -5.819 -3.528 29 HB2 ALA 6 HB2 ALA 6 11.349 -5.188 -2.698 30 HB3 ALA 6 HB3 ALA 6 11.531 -6.062 -4.224 31 H THR 7 HN THR 7 12.327 -4.083 -6.345 32 HA THR 7 HA THR 7 14.411 -2.584 -4.971 33 HB THR 7 HB THR 7 15.165 -4.576 -6.113 34 HG1 THR 7 HG1 THR 7 16.562 -2.738 -6.112 35 HG21 THR 7 HG21 THR 7 14.089 -3.304 -8.628 36 HG22 THR 7 HG22 THR 7 13.459 -4.753 -7.839 37 HG23 THR 7 HG23 THR 7 15.068 -4.770 -8.564 38 H ASP 8 HN ASP 8 11.726 -2.065 -6.949 39 HA ASP 8 HA ASP 8 12.788 0.368 -8.131 40 HB2 ASP 8 HB2 ASP 8 10.499 -1.377 -8.617 41 HB3 ASP 8 HB1 ASP 8 10.056 0.323 -8.515 42 H LEU 9 HN LEU 9 10.631 -0.897 -5.721 43 HA LEU 9 HA LEU 9 9.419 1.550 -5.017 44 HB2 LEU 9 HB2 LEU 9 8.388 -0.482 -4.306 45 HB3 LEU 9 HB1 LEU 9 9.837 -1.000 -3.475 46 HG LEU 9 HG LEU 9 9.609 0.979 -1.976 47 HD11 LEU 9 HD11 LEU 9 8.208 2.306 -3.511 48 HD12 LEU 9 HD12 LEU 9 7.498 2.147 -1.892 49 HD13 LEU 9 HD13 LEU 9 6.870 1.172 -3.225 50 HD21 LEU 9 HD21 LEU 9 7.318 -0.963 -1.950 51 HD22 LEU 9 HD22 LEU 9 7.952 -0.057 -0.579 52 HD23 LEU 9 HD23 LEU 9 8.945 -1.284 -1.362 53 H ALA 10 HN ALA 10 11.835 -0.425 -3.439 54 HA ALA 10 HA ALA 10 12.859 1.428 -1.628 55 HB1 ALA 10 HB1 ALA 10 14.485 -0.628 -3.137 56 HB2 ALA 10 HB2 ALA 10 13.484 -0.979 -1.730 57 HB3 ALA 10 HB3 ALA 10 14.873 0.097 -1.575 58 H ALA 11 HN ALA 11 12.916 1.688 -5.012 59 HA ALA 11 HA ALA 11 15.395 3.151 -5.184 60 HB1 ALA 11 HB1 ALA 11 14.743 1.887 -7.103 61 HB2 ALA 11 HB2 ALA 11 14.643 3.601 -7.511 62 HB3 ALA 11 HB3 ALA 11 13.171 2.688 -7.153 63 H ARG 12 HN ARG 12 11.869 3.854 -5.203 64 HA ARG 12 HA ARG 12 12.074 6.655 -5.248 65 HB2 ARG 12 HB2 ARG 12 10.072 4.680 -4.222 66 HB3 ARG 12 HB1 ARG 12 9.841 6.382 -3.907 67 HG2 ARG 12 HG2 ARG 12 8.540 5.986 -5.758 68 HG3 ARG 12 HG1 ARG 12 10.027 6.626 -6.451 69 HD2 ARG 12 HD2 ARG 12 9.866 3.712 -6.082 70 HD3 ARG 12 HD1 ARG 12 8.837 4.411 -7.341 71 HE ARG 12 HE ARG 12 11.566 5.318 -7.464 72 HH11 ARG 12 HH11 ARG 12 9.359 2.791 -8.464 73 HH12 ARG 12 HH12 ARG 12 10.316 2.321 -9.837 74 HH21 ARG 12 HH21 ARG 12 12.802 4.738 -9.282 75 HH22 ARG 12 HH22 ARG 12 12.267 3.447 -10.312 76 H LEU 13 HN LEU 13 12.564 4.285 -2.801 77 HA LEU 13 HA LEU 13 12.146 6.102 -0.591 78 HB2 LEU 13 HB2 LEU 13 12.722 3.192 -0.871 79 HB3 LEU 13 HB1 LEU 13 12.906 3.968 0.685 80 HG LEU 13 HG LEU 13 10.570 4.453 0.823 81 HD11 LEU 13 HD11 LEU 13 9.958 5.213 -1.265 82 HD12 LEU 13 HD12 LEU 13 9.026 3.732 -1.022 83 HD13 LEU 13 HD13 LEU 13 10.467 3.715 -2.053 84 HD21 LEU 13 HD21 LEU 13 9.553 2.258 0.698 85 HD22 LEU 13 HD22 LEU 13 11.179 2.169 1.377 86 HD23 LEU 13 HD23 LEU 13 10.896 1.690 -0.296 87 H ASN 14 HN ASN 14 14.733 4.205 -1.960 88 HA ASN 14 HA ASN 14 16.841 4.912 -0.335 89 HB2 ASN 14 HB2 ASN 14 16.463 4.017 -3.111 90 HB3 ASN 14 HB1 ASN 14 18.040 4.746 -2.759 91 HD21 ASN 14 HD21 ASN 14 17.486 2.046 -3.499 92 HD22 ASN 14 HD22 ASN 14 17.985 1.031 -2.191 93 H GLY 15 HN GLY 15 17.910 6.709 0.072 94 HA2 GLY 15 HA2 GLY 15 18.940 8.762 -0.479 95 HA3 GLY 15 HA1 GLY 15 17.882 8.896 -1.876 96 H LEU 16 HN LEU 16 15.733 7.985 0.201 97 HA LEU 16 HA LEU 16 15.072 10.740 0.942 98 HB2 LEU 16 HB2 LEU 16 13.463 8.339 0.222 99 HB3 LEU 16 HB1 LEU 16 12.745 9.542 1.265 100 HG LEU 16 HG LEU 16 12.055 9.977 -0.984 101 HD11 LEU 16 HD11 LEU 16 12.707 11.839 0.561 102 HD12 LEU 16 HD12 LEU 16 12.678 12.241 -1.160 103 HD13 LEU 16 HD13 LEU 16 14.216 11.948 -0.347 104 HD21 LEU 16 HD21 LEU 16 14.988 10.063 -1.693 105 HD22 LEU 16 HD22 LEU 16 13.654 10.467 -2.773 106 HD23 LEU 16 HD23 LEU 16 13.839 8.817 -2.178 107 H SER 17 HN SER 17 13.853 11.055 2.925 108 HA SER 17 HA SER 17 15.023 9.689 5.173 109 HB2 SER 17 HB2 SER 17 13.730 11.288 6.490 110 HB3 SER 17 HB1 SER 17 14.509 12.130 5.154 111 HG SER 17 HG SER 17 12.272 12.688 5.462 112 HA PRO 18 HA PRO 18 12.092 6.550 6.095 113 HB2 PRO 18 HB2 PRO 18 11.476 7.995 8.642 114 HB3 PRO 18 HB1 PRO 18 11.876 6.289 8.384 115 HG2 PRO 18 HG2 PRO 18 13.734 7.901 9.329 116 HG3 PRO 18 HG1 PRO 18 14.153 6.755 8.042 117 HD2 PRO 18 HD2 PRO 18 13.629 9.689 7.847 118 HD3 PRO 18 HD1 PRO 18 14.878 8.709 7.050 119 H GLN 19 HN GLN 19 10.886 9.759 7.061 120 HA GLN 19 HA GLN 19 8.126 9.142 6.712 121 HB2 GLN 19 HB2 GLN 19 8.960 11.036 8.080 122 HB3 GLN 19 HB1 GLN 19 9.476 11.839 6.605 123 HG2 GLN 19 HG2 GLN 19 7.022 11.558 5.878 124 HG3 GLN 19 HG1 GLN 19 6.715 11.313 7.594 125 HE21 GLN 19 HE21 GLN 19 7.718 13.574 5.161 126 HE22 GLN 19 HE22 GLN 19 7.591 14.996 6.139 127 H GLN 20 HN GLN 20 10.613 10.397 4.530 128 HA GLN 20 HA GLN 20 8.762 11.161 2.471 129 HB2 GLN 20 HB2 GLN 20 11.744 10.655 2.480 130 HB3 GLN 20 HB1 GLN 20 10.861 11.143 1.034 131 HG2 GLN 20 HG2 GLN 20 11.096 12.704 3.585 132 HG3 GLN 20 HG1 GLN 20 11.955 13.030 2.089 133 HE21 GLN 20 HE21 GLN 20 10.051 14.624 3.688 134 HE22 GLN 20 HE22 GLN 20 8.806 15.092 2.583 135 H GLN 21 HN GLN 21 10.914 8.446 3.083 136 HA GLN 21 HA GLN 21 10.266 6.797 0.947 137 HB2 GLN 21 HB2 GLN 21 10.957 6.152 3.817 138 HB3 GLN 21 HB1 GLN 21 10.895 4.946 2.544 139 HG2 GLN 21 HG2 GLN 21 12.661 6.073 1.350 140 HG3 GLN 21 HG1 GLN 21 12.702 7.358 2.559 141 HE21 GLN 21 HE21 GLN 21 13.606 6.913 4.578 142 HE22 GLN 21 HE22 GLN 21 14.585 5.518 4.870 143 H GLN 22 HN GLN 22 8.725 7.267 4.042 144 HA GLN 22 HA GLN 22 6.665 5.405 3.831 145 HB2 GLN 22 HB2 GLN 22 7.256 6.559 5.891 146 HB3 GLN 22 HB1 GLN 22 6.750 8.072 5.195 147 HG2 GLN 22 HG2 GLN 22 4.456 6.874 4.975 148 HG3 GLN 22 HG1 GLN 22 5.168 5.824 6.192 149 HE21 GLN 22 HE21 GLN 22 2.903 7.671 6.398 150 HE22 GLN 22 HE22 GLN 22 3.297 8.736 7.701 151 H GLN 23 HN GLN 23 6.766 8.833 2.961 152 HA GLN 23 HA GLN 23 4.216 9.232 2.057 153 HB2 GLN 23 HB2 GLN 23 6.781 10.348 1.088 154 HB3 GLN 23 HB1 GLN 23 5.216 10.970 0.583 155 HG2 GLN 23 HG2 GLN 23 4.664 11.478 2.886 156 HG3 GLN 23 HG1 GLN 23 6.201 10.835 3.410 157 HE21 GLN 23 HE21 GLN 23 5.850 12.695 0.488 158 HE22 GLN 23 HE22 GLN 23 6.682 14.101 1.048 159 H THR 24 HN THR 24 6.911 7.862 0.224 160 HA THR 24 HA THR 24 5.689 7.866 -2.301 161 HB THR 24 HB THR 24 7.818 6.242 -0.989 162 HG1 THR 24 HG1 THR 24 8.140 8.388 -1.923 163 HG21 THR 24 HG21 THR 24 6.812 5.750 -3.799 164 HG22 THR 24 HG22 THR 24 6.544 4.667 -2.433 165 HG23 THR 24 HG23 THR 24 8.185 4.957 -3.022 166 H LEU 25 HN LEU 25 5.610 5.443 0.302 167 HA LEU 25 HA LEU 25 3.763 3.719 -1.117 168 HB2 LEU 25 HB2 LEU 25 4.399 3.926 1.810 169 HB3 LEU 25 HB1 LEU 25 3.521 2.617 1.054 170 HG LEU 25 HG LEU 25 6.304 3.219 0.164 171 HD11 LEU 25 HD11 LEU 25 6.291 3.180 2.637 172 HD12 LEU 25 HD12 LEU 25 7.197 1.844 1.920 173 HD13 LEU 25 HD13 LEU 25 5.583 1.563 2.578 174 HD21 LEU 25 HD21 LEU 25 4.636 0.716 0.412 175 HD22 LEU 25 HD22 LEU 25 6.289 0.781 -0.192 176 HD23 LEU 25 HD23 LEU 25 4.997 1.591 -1.076 177 H ALA 26 HN ALA 26 3.656 6.168 1.373 178 HA ALA 26 HA ALA 26 0.874 6.076 1.869 179 HB1 ALA 26 HB1 ALA 26 2.644 8.471 2.302 180 HB2 ALA 26 HB2 ALA 26 2.790 7.022 3.293 181 HB3 ALA 26 HB3 ALA 26 1.271 7.930 3.272 182 H THR 27 HN THR 27 2.239 6.726 -0.888 183 HA THR 27 HA THR 27 0.148 8.587 -1.738 184 HB THR 27 HB THR 27 3.037 8.371 -2.525 185 HG1 THR 27 HG1 THR 27 2.708 10.034 -1.175 186 HG21 THR 27 HG21 THR 27 0.890 9.575 -4.269 187 HG22 THR 27 HG22 THR 27 1.821 8.115 -4.616 188 HG23 THR 27 HG23 THR 27 2.633 9.680 -4.538 189 H LEU 28 HN LEU 28 2.309 5.973 -2.646 190 HA LEU 28 HA LEU 28 0.999 5.166 -4.973 191 HB2 LEU 28 HB2 LEU 28 3.177 4.470 -4.885 192 HB3 LEU 28 HB1 LEU 28 3.068 4.059 -3.189 193 HG LEU 28 HG LEU 28 1.362 2.274 -4.146 194 HD11 LEU 28 HD11 LEU 28 1.666 2.970 -6.454 195 HD12 LEU 28 HD12 LEU 28 2.182 1.299 -6.204 196 HD13 LEU 28 HD13 LEU 28 3.385 2.589 -6.341 197 HD21 LEU 28 HD21 LEU 28 3.341 0.686 -4.180 198 HD22 LEU 28 HD22 LEU 28 3.022 1.605 -2.698 199 HD23 LEU 28 HD23 LEU 28 4.318 2.110 -3.794 200 H VAL 29 HN VAL 29 0.919 4.038 -1.679 201 HA VAL 29 HA VAL 29 -0.718 1.785 -2.134 202 HB VAL 29 HB VAL 29 -0.120 3.403 0.336 203 HG11 VAL 29 HG11 VAL 29 -1.242 1.762 1.673 204 HG12 VAL 29 HG12 VAL 29 -1.582 0.765 0.259 205 HG13 VAL 29 HG13 VAL 29 -2.385 2.325 0.449 206 HG21 VAL 29 HG21 VAL 29 1.683 2.068 -0.719 207 HG22 VAL 29 HG22 VAL 29 0.710 0.618 -0.466 208 HG23 VAL 29 HG23 VAL 29 1.285 1.545 0.919 209 H ALA 30 HN ALA 30 -1.309 5.120 -1.441 210 HA ALA 30 HA ALA 30 -4.145 4.802 -1.159 211 HB1 ALA 30 HB1 ALA 30 -3.156 6.545 0.079 212 HB2 ALA 30 HB2 ALA 30 -4.073 7.306 -1.224 213 HB3 ALA 30 HB3 ALA 30 -2.322 7.159 -1.343 214 H ALA 31 HN ALA 31 -1.851 5.679 -3.598 215 HA ALA 31 HA ALA 31 -3.620 6.453 -5.641 216 HB1 ALA 31 HB1 ALA 31 -1.296 6.893 -5.912 217 HB2 ALA 31 HB2 ALA 31 -1.702 5.683 -7.134 218 HB3 ALA 31 HB3 ALA 31 -0.874 5.204 -5.645 219 H ALA 32 HN ALA 32 -2.260 3.406 -4.632 220 HA ALA 32 HA ALA 32 -3.512 1.631 -6.340 221 HB1 ALA 32 HB1 ALA 32 -2.639 1.468 -3.476 222 HB2 ALA 32 HB2 ALA 32 -1.821 0.845 -4.911 223 HB3 ALA 32 HB3 ALA 32 -3.301 0.074 -4.334 224 H THR 33 HN THR 33 -4.674 2.933 -3.200 225 HA THR 33 HA THR 33 -7.187 1.546 -3.487 226 HB THR 33 HB THR 33 -6.624 3.829 -1.590 227 HG1 THR 33 HG1 THR 33 -4.996 2.133 -1.448 228 HG21 THR 33 HG21 THR 33 -8.925 3.219 -1.614 229 HG22 THR 33 HG22 THR 33 -8.226 2.472 -0.174 230 HG23 THR 33 HG23 THR 33 -8.539 1.499 -1.616 231 H ALA 34 HN ALA 34 -5.903 4.621 -4.449 232 HA ALA 34 HA ALA 34 -8.344 5.925 -4.973 233 HB1 ALA 34 HB1 ALA 34 -6.205 7.116 -4.971 234 HB2 ALA 34 HB2 ALA 34 -7.039 7.332 -6.514 235 HB3 ALA 34 HB3 ALA 34 -5.685 6.206 -6.391 236 H THR 35 HN THR 35 -6.424 3.572 -6.659 237 HA THR 35 HA THR 35 -7.820 3.533 -9.103 238 HB THR 35 HB THR 35 -5.870 1.812 -7.666 239 HG1 THR 35 HG1 THR 35 -5.639 3.612 -9.439 240 HG21 THR 35 HG21 THR 35 -6.042 0.016 -9.256 241 HG22 THR 35 HG22 THR 35 -7.363 0.839 -10.086 242 HG23 THR 35 HG23 THR 35 -7.591 0.252 -8.434 243 H VAL 36 HN VAL 36 -7.988 1.467 -6.197 244 HA VAL 36 HA VAL 36 -9.786 -0.400 -7.195 245 HB VAL 36 HB VAL 36 -10.275 -0.934 -4.808 246 HG11 VAL 36 HG11 VAL 36 -7.892 -1.518 -4.227 247 HG12 VAL 36 HG12 VAL 36 -7.463 -0.765 -5.766 248 HG13 VAL 36 HG13 VAL 36 -8.547 -2.161 -5.729 249 HG21 VAL 36 HG21 VAL 36 -8.770 1.548 -4.404 250 HG22 VAL 36 HG22 VAL 36 -8.573 0.235 -3.246 251 HG23 VAL 36 HG23 VAL 36 -10.171 0.913 -3.542 252 H LEU 37 HN LEU 37 -10.414 2.749 -5.804 253 HA LEU 37 HA LEU 37 -13.256 2.112 -5.527 254 HB2 LEU 37 HB2 LEU 37 -11.884 4.674 -4.784 255 HB3 LEU 37 HB1 LEU 37 -13.416 4.061 -4.196 256 HG LEU 37 HG LEU 37 -10.763 2.755 -3.644 257 HD11 LEU 37 HD11 LEU 37 -10.918 3.743 -1.436 258 HD12 LEU 37 HD12 LEU 37 -12.369 4.619 -1.922 259 HD13 LEU 37 HD13 LEU 37 -10.821 4.972 -2.693 260 HD21 LEU 37 HD21 LEU 37 -12.030 1.582 -1.904 261 HD22 LEU 37 HD22 LEU 37 -12.663 1.257 -3.518 262 HD23 LEU 37 HD23 LEU 37 -13.502 2.384 -2.455 263 H GLY 38 HN GLY 38 -11.515 2.949 -8.068 264 HA2 GLY 38 HA2 GLY 38 -12.184 3.831 -10.095 265 HA3 GLY 38 HA1 GLY 38 -13.745 4.187 -9.375 266 H HIS 39 HN HIS 39 -10.856 5.369 -7.886 267 HA HIS 39 HA HIS 39 -11.508 8.091 -8.806 268 HB2 HIS 39 HB2 HIS 39 -10.076 7.095 -6.331 269 HB3 HIS 39 HB1 HIS 39 -10.037 8.779 -6.832 270 HD1 HIS 39 HD1 HIS 39 -11.627 10.121 -5.513 271 HD2 HIS 39 HD2 HIS 39 -13.058 6.274 -6.190 272 HE1 HIS 39 HE1 HIS 39 -13.856 10.015 -4.359 273 HE2 HIS 39 HE2 HIS 39 -14.657 7.654 -4.698 274 H HIS 40 HN HIS 40 -9.170 9.383 -8.423 275 HA HIS 40 HA HIS 40 -7.175 7.831 -9.920 276 HB2 HIS 40 HB2 HIS 40 -8.416 9.523 -11.348 277 HB3 HIS 40 HB1 HIS 40 -7.682 10.774 -10.353 278 HD1 HIS 40 HD1 HIS 40 -7.064 10.823 -13.298 279 HD2 HIS 40 HD2 HIS 40 -4.767 8.689 -10.564 280 HE1 HIS 40 HE1 HIS 40 -4.807 10.539 -14.374 281 HE2 HIS 40 HE2 HIS 40 -3.406 9.342 -12.664 282 H THR 41 HN THR 41 -7.718 10.704 -7.852 283 HA THR 41 HA THR 41 -4.883 10.685 -7.267 284 HB THR 41 HB THR 41 -5.916 12.850 -7.731 285 HG1 THR 41 HG1 THR 41 -4.450 13.650 -6.457 286 HG21 THR 41 HG21 THR 41 -7.338 13.913 -6.053 287 HG22 THR 41 HG22 THR 41 -7.325 12.424 -5.112 288 HG23 THR 41 HG23 THR 41 -8.106 12.460 -6.692 289 HA PRO 42 HA PRO 42 -5.135 8.668 -3.329 290 HB2 PRO 42 HB2 PRO 42 -2.687 10.147 -2.716 291 HB3 PRO 42 HB1 PRO 42 -2.918 8.411 -2.920 292 HG2 PRO 42 HG2 PRO 42 -1.571 9.930 -4.709 293 HG3 PRO 42 HG1 PRO 42 -2.484 8.479 -5.152 294 HD2 PRO 42 HD2 PRO 42 -3.250 11.352 -5.502 295 HD3 PRO 42 HD1 PRO 42 -3.527 9.944 -6.548 296 H GLU 43 HN GLU 43 -5.091 12.038 -3.898 297 HA GLU 43 HA GLU 43 -4.995 12.991 -1.249 298 HB2 GLU 43 HB2 GLU 43 -6.120 14.165 -3.769 299 HB3 GLU 43 HB1 GLU 43 -6.175 15.021 -2.232 300 HG2 GLU 43 HG2 GLU 43 -3.738 14.861 -2.084 301 HG3 GLU 43 HG1 GLU 43 -3.722 14.042 -3.641 302 H SER 44 HN SER 44 -7.586 11.644 -3.136 303 HA SER 44 HA SER 44 -9.638 12.381 -1.249 304 HB2 SER 44 HB2 SER 44 -10.168 12.083 -3.633 305 HB3 SER 44 HB1 SER 44 -9.681 10.399 -3.517 306 HG SER 44 HG SER 44 -11.716 11.478 -1.882 307 H ILE 45 HN ILE 45 -7.281 10.002 -1.580 308 HA ILE 45 HA ILE 45 -8.643 7.995 0.020 309 HB ILE 45 HB ILE 45 -5.828 7.932 -1.035 310 HG12 ILE 45 HG12 ILE 45 -7.320 8.258 -2.912 311 HG13 ILE 45 HG11 ILE 45 -6.745 6.599 -2.901 312 HG21 ILE 45 HG21 ILE 45 -7.638 5.626 -0.365 313 HG22 ILE 45 HG22 ILE 45 -6.516 6.340 0.795 314 HG23 ILE 45 HG23 ILE 45 -5.898 5.593 -0.683 315 HD11 ILE 45 HD11 ILE 45 -8.846 5.835 -2.006 316 HD12 ILE 45 HD12 ILE 45 -9.107 6.775 -3.476 317 HD13 ILE 45 HD13 ILE 45 -9.429 7.497 -1.901 318 H SER 46 HN SER 46 -8.758 9.308 1.949 319 HA SER 46 HA SER 46 -6.475 10.299 3.274 320 HB2 SER 46 HB2 SER 46 -8.959 9.364 4.673 321 HB3 SER 46 HB1 SER 46 -7.889 10.682 5.121 322 HG SER 46 HG SER 46 -8.930 11.975 3.836 323 HA PRO 47 HA PRO 47 -4.747 6.530 4.593 324 HB2 PRO 47 HB2 PRO 47 -2.894 7.397 6.269 325 HB3 PRO 47 HB1 PRO 47 -2.891 7.963 4.598 326 HG2 PRO 47 HG2 PRO 47 -3.800 9.361 7.064 327 HG3 PRO 47 HG1 PRO 47 -2.975 10.018 5.647 328 HD2 PRO 47 HD2 PRO 47 -5.752 10.066 6.164 329 HD3 PRO 47 HD1 PRO 47 -4.958 10.471 4.620 330 H ALA 48 HN ALA 48 -6.734 8.247 6.522 331 HA ALA 48 HA ALA 48 -6.388 6.458 8.790 332 HB1 ALA 48 HB1 ALA 48 -6.713 8.287 10.276 333 HB2 ALA 48 HB2 ALA 48 -7.109 9.359 8.931 334 HB3 ALA 48 HB3 ALA 48 -5.468 8.728 9.099 335 H THR 49 HN THR 49 -8.381 7.265 6.350 336 HA THR 49 HA THR 49 -10.920 7.353 7.582 337 HB THR 49 HB THR 49 -9.949 6.699 4.813 338 HG1 THR 49 HG1 THR 49 -11.495 8.676 4.602 339 HG21 THR 49 HG21 THR 49 -12.268 6.631 4.065 340 HG22 THR 49 HG22 THR 49 -12.811 6.746 5.740 341 HG23 THR 49 HG23 THR 49 -11.901 5.333 5.201 342 H ALA 50 HN ALA 50 -8.987 4.830 6.143 343 HA ALA 50 HA ALA 50 -8.790 2.590 6.738 344 HB1 ALA 50 HB1 ALA 50 -10.648 1.313 7.709 345 HB2 ALA 50 HB2 ALA 50 -11.626 2.784 7.737 346 HB3 ALA 50 HB3 ALA 50 -10.167 2.676 8.726 347 H PHE 51 HN PHE 51 -8.940 1.048 5.359 348 HA PHE 51 HA PHE 51 -9.914 1.433 2.796 349 HB2 PHE 51 HB2 PHE 51 -9.250 -1.082 4.298 350 HB3 PHE 51 HB1 PHE 51 -9.591 -1.053 2.567 351 HD1 PHE 51 HD1 PHE 51 -8.305 1.244 1.574 352 HD2 PHE 51 HD2 PHE 51 -7.035 -1.381 4.650 353 HE1 PHE 51 HE1 PHE 51 -5.978 1.886 1.138 354 HE2 PHE 51 HE2 PHE 51 -4.705 -0.753 4.233 355 HZ PHE 51 HZ PHE 51 -4.167 0.883 2.467 356 H LYS 52 HN LYS 52 -11.325 -0.450 5.423 357 HA LYS 52 HA LYS 52 -13.600 -1.380 4.205 358 HB2 LYS 52 HB2 LYS 52 -13.198 -0.311 7.005 359 HB3 LYS 52 HB1 LYS 52 -14.598 -1.253 6.497 360 HG2 LYS 52 HG2 LYS 52 -13.010 -3.079 5.864 361 HG3 LYS 52 HG1 LYS 52 -11.722 -2.124 6.587 362 HD2 LYS 52 HD2 LYS 52 -14.178 -3.084 8.024 363 HD3 LYS 52 HD1 LYS 52 -12.609 -3.880 8.091 364 HE2 LYS 52 HE2 LYS 52 -11.659 -1.773 9.005 365 HE3 LYS 52 HE1 LYS 52 -13.293 -1.111 9.037 366 HZ1 LYS 52 HZ1 LYS 52 -12.583 -2.013 11.189 367 HZ2 LYS 52 HZ2 LYS 52 -12.444 -3.549 10.495 368 HZ3 LYS 52 HZ3 LYS 52 -13.956 -2.792 10.583 369 H ASP 53 HN ASP 53 -12.919 1.717 5.669 370 HA ASP 53 HA ASP 53 -15.571 2.727 5.310 371 HB2 ASP 53 HB2 ASP 53 -12.995 4.056 6.201 372 HB3 ASP 53 HB1 ASP 53 -14.566 4.860 6.179 373 H LEU 54 HN LEU 54 -13.028 2.264 3.293 374 HA LEU 54 HA LEU 54 -13.357 4.698 1.716 375 HB2 LEU 54 HB2 LEU 54 -11.324 2.530 1.875 376 HB3 LEU 54 HB1 LEU 54 -11.449 3.437 0.387 377 HG LEU 54 HG LEU 54 -11.057 4.755 3.072 378 HD11 LEU 54 HD11 LEU 54 -9.194 3.268 2.765 379 HD12 LEU 54 HD12 LEU 54 -8.676 4.927 2.454 380 HD13 LEU 54 HD13 LEU 54 -8.976 3.829 1.107 381 HD21 LEU 54 HD21 LEU 54 -10.210 6.586 1.679 382 HD22 LEU 54 HD22 LEU 54 -11.887 6.186 1.309 383 HD23 LEU 54 HD23 LEU 54 -10.595 5.645 0.239 384 H GLY 55 HN GLY 55 -14.114 1.312 1.675 385 HA2 GLY 55 HA2 GLY 55 -15.993 0.810 0.087 386 HA3 GLY 55 HA1 GLY 55 -14.990 1.578 -1.135 387 H ILE 56 HN ILE 56 -12.858 0.108 0.794 388 HA ILE 56 HA ILE 56 -12.260 -2.033 -0.929 389 HB ILE 56 HB ILE 56 -11.456 -1.453 1.910 390 HG12 ILE 56 HG12 ILE 56 -10.185 -0.011 0.717 391 HG13 ILE 56 HG11 ILE 56 -9.168 -1.428 0.586 392 HG21 ILE 56 HG21 ILE 56 -11.297 -3.712 1.972 393 HG22 ILE 56 HG22 ILE 56 -9.685 -3.241 1.409 394 HG23 ILE 56 HG23 ILE 56 -10.884 -3.838 0.261 395 HD11 ILE 56 HD11 ILE 56 -10.224 -1.910 -1.609 396 HD12 ILE 56 HD12 ILE 56 -9.289 -0.418 -1.543 397 HD13 ILE 56 HD13 ILE 56 -11.049 -0.351 -1.481 398 H ASP 57 HN ASP 57 -13.185 -3.970 -1.128 399 HA ASP 57 HA ASP 57 -14.604 -5.160 1.108 400 HB2 ASP 57 HB2 ASP 57 -16.193 -3.578 -0.130 401 HB3 ASP 57 HB1 ASP 57 -16.108 -4.718 -1.469 402 H SER 58 HN SER 58 -12.744 -6.563 0.704 403 HA SER 58 HA SER 58 -11.921 -8.584 0.120 404 HB2 SER 58 HB2 SER 58 -14.501 -9.014 -1.314 405 HB3 SER 58 HB1 SER 58 -13.353 -10.262 -0.865 406 HG SER 58 HG SER 58 -15.084 -8.754 0.762 407 H LEU 59 HN LEU 59 -13.793 -7.683 -2.755 408 HA LEU 59 HA LEU 59 -11.950 -8.694 -4.629 409 HB2 LEU 59 HB2 LEU 59 -14.038 -6.536 -4.878 410 HB3 LEU 59 HB1 LEU 59 -13.134 -7.163 -6.229 411 HG LEU 59 HG LEU 59 -14.166 -9.356 -5.953 412 HD11 LEU 59 HD11 LEU 59 -15.983 -9.717 -4.376 413 HD12 LEU 59 HD12 LEU 59 -15.715 -8.112 -3.694 414 HD13 LEU 59 HD13 LEU 59 -14.472 -9.355 -3.539 415 HD21 LEU 59 HD21 LEU 59 -16.073 -7.035 -6.021 416 HD22 LEU 59 HD22 LEU 59 -16.488 -8.682 -6.502 417 HD23 LEU 59 HD23 LEU 59 -15.257 -7.785 -7.393 418 H THR 60 HN THR 60 -12.574 -5.426 -3.472 419 HA THR 60 HA THR 60 -10.401 -4.361 -5.034 420 HB THR 60 HB THR 60 -10.989 -2.270 -3.574 421 HG1 THR 60 HG1 THR 60 -13.574 -3.208 -3.492 422 HG21 THR 60 HG21 THR 60 -11.344 -2.541 -5.996 423 HG22 THR 60 HG22 THR 60 -12.666 -1.657 -5.222 424 HG23 THR 60 HG23 THR 60 -12.878 -3.352 -5.665 425 H ALA 61 HN ALA 61 -10.819 -5.802 -2.027 426 HA ALA 61 HA ALA 61 -8.534 -4.591 -0.759 427 HB1 ALA 61 HB1 ALA 61 -10.405 -5.649 0.512 428 HB2 ALA 61 HB2 ALA 61 -8.798 -6.223 0.961 429 HB3 ALA 61 HB3 ALA 61 -9.840 -7.220 -0.061 430 H LEU 62 HN LEU 62 -9.238 -7.483 -2.663 431 HA LEU 62 HA LEU 62 -6.562 -8.450 -2.601 432 HB2 LEU 62 HB2 LEU 62 -8.890 -9.590 -3.193 433 HB3 LEU 62 HB1 LEU 62 -8.436 -9.094 -4.802 434 HG LEU 62 HG LEU 62 -7.562 -11.188 -4.848 435 HD11 LEU 62 HD11 LEU 62 -5.186 -11.237 -4.364 436 HD12 LEU 62 HD12 LEU 62 -5.339 -9.775 -3.386 437 HD13 LEU 62 HD13 LEU 62 -5.647 -9.712 -5.121 438 HD21 LEU 62 HD21 LEU 62 -6.724 -12.384 -2.863 439 HD22 LEU 62 HD22 LEU 62 -8.393 -11.842 -2.691 440 HD23 LEU 62 HD23 LEU 62 -7.092 -10.962 -1.889 441 H GLU 63 HN GLU 63 -8.516 -6.523 -4.923 442 HA GLU 63 HA GLU 63 -6.506 -6.315 -6.869 443 HB2 GLU 63 HB2 GLU 63 -8.623 -5.785 -7.635 444 HB3 GLU 63 HB1 GLU 63 -9.067 -4.969 -6.145 445 HG2 GLU 63 HG2 GLU 63 -8.960 -3.306 -7.764 446 HG3 GLU 63 HG1 GLU 63 -7.497 -3.179 -6.787 447 H LEU 64 HN LEU 64 -7.302 -4.468 -3.949 448 HA LEU 64 HA LEU 64 -5.386 -2.453 -4.142 449 HB2 LEU 64 HB2 LEU 64 -7.059 -3.503 -2.108 450 HB3 LEU 64 HB1 LEU 64 -5.413 -3.604 -1.498 451 HG LEU 64 HG LEU 64 -6.831 -1.111 -2.411 452 HD11 LEU 64 HD11 LEU 64 -5.793 -1.956 0.298 453 HD12 LEU 64 HD12 LEU 64 -7.489 -1.982 -0.193 454 HD13 LEU 64 HD13 LEU 64 -6.622 -0.444 -0.086 455 HD21 LEU 64 HD21 LEU 64 -4.451 -1.137 -3.054 456 HD22 LEU 64 HD22 LEU 64 -4.028 -1.461 -1.374 457 HD23 LEU 64 HD23 LEU 64 -4.801 0.065 -1.808 458 H ARG 65 HN ARG 65 -5.277 -5.685 -2.975 459 HA ARG 65 HA ARG 65 -2.633 -5.799 -2.061 460 HB2 ARG 65 HB2 ARG 65 -4.274 -7.436 -1.359 461 HB3 ARG 65 HB1 ARG 65 -4.489 -7.993 -3.015 462 HG2 ARG 65 HG2 ARG 65 -1.800 -8.183 -1.702 463 HG3 ARG 65 HG1 ARG 65 -3.051 -9.369 -1.334 464 HD2 ARG 65 HD2 ARG 65 -3.217 -9.983 -3.661 465 HD3 ARG 65 HD1 ARG 65 -2.096 -8.703 -4.118 466 HE ARG 65 HE ARG 65 -0.933 -10.504 -2.241 467 HH11 ARG 65 HH11 ARG 65 -1.731 -10.132 -5.636 468 HH12 ARG 65 HH12 ARG 65 -0.472 -11.195 -6.172 469 HH21 ARG 65 HH21 ARG 65 0.690 -11.925 -2.944 470 HH22 ARG 65 HH22 ARG 65 0.897 -12.232 -4.638 471 H ASN 66 HN ASN 66 -4.087 -6.871 -5.046 472 HA ASN 66 HA ASN 66 -1.839 -7.825 -6.341 473 HB2 ASN 66 HB2 ASN 66 -4.505 -6.803 -7.219 474 HB3 ASN 66 HB1 ASN 66 -3.304 -7.200 -8.433 475 HD21 ASN 66 HD21 ASN 66 -5.877 -8.479 -7.800 476 HD22 ASN 66 HD22 ASN 66 -5.505 -10.134 -7.477 477 H THR 67 HN THR 67 -3.033 -4.488 -6.110 478 HA THR 67 HA THR 67 -1.025 -3.535 -7.933 479 HB THR 67 HB THR 67 -2.744 -2.023 -5.978 480 HG1 THR 67 HG1 THR 67 -4.150 -2.688 -7.476 481 HG21 THR 67 HG21 THR 67 -0.738 -0.744 -6.541 482 HG22 THR 67 HG22 THR 67 -2.160 -0.031 -7.307 483 HG23 THR 67 HG23 THR 67 -1.043 -1.009 -8.259 484 H LEU 68 HN LEU 68 -1.475 -3.330 -4.405 485 HA LEU 68 HA LEU 68 0.814 -1.956 -3.698 486 HB2 LEU 68 HB2 LEU 68 -0.251 -4.360 -2.225 487 HB3 LEU 68 HB1 LEU 68 0.673 -3.041 -1.549 488 HG LEU 68 HG LEU 68 -2.038 -2.608 -2.742 489 HD11 LEU 68 HD11 LEU 68 -2.044 -4.385 -0.982 490 HD12 LEU 68 HD12 LEU 68 -3.003 -2.962 -0.604 491 HD13 LEU 68 HD13 LEU 68 -1.424 -3.182 0.145 492 HD21 LEU 68 HD21 LEU 68 -0.612 -0.642 -2.363 493 HD22 LEU 68 HD22 LEU 68 -0.435 -1.109 -0.671 494 HD23 LEU 68 HD23 LEU 68 -2.018 -0.651 -1.297 495 H THR 69 HN THR 69 0.411 -5.465 -3.706 496 HA THR 69 HA THR 69 2.961 -6.248 -3.171 497 HB THR 69 HB THR 69 0.583 -7.395 -4.515 498 HG1 THR 69 HG1 THR 69 2.293 -8.533 -2.555 499 HG21 THR 69 HG21 THR 69 1.705 -9.468 -5.140 500 HG22 THR 69 HG22 THR 69 3.264 -8.753 -4.728 501 HG23 THR 69 HG23 THR 69 2.315 -8.091 -6.064 502 H HIS 70 HN HIS 70 1.530 -5.421 -6.281 503 HA HIS 70 HA HIS 70 3.743 -6.293 -7.820 504 HB2 HIS 70 HB2 HIS 70 1.448 -6.050 -8.735 505 HB3 HIS 70 HB1 HIS 70 1.574 -4.319 -8.527 506 HD1 HIS 70 HD1 HIS 70 2.717 -7.107 -10.729 507 HD2 HIS 70 HD2 HIS 70 3.162 -2.986 -10.433 508 HE1 HIS 70 HE1 HIS 70 3.715 -6.377 -12.916 509 HE2 HIS 70 HE2 HIS 70 3.792 -3.863 -12.786 510 H ASN 71 HN ASN 71 2.875 -3.230 -6.341 511 HA ASN 71 HA ASN 71 5.038 -1.832 -7.630 512 HB2 ASN 71 HB2 ASN 71 3.012 -1.020 -5.593 513 HB3 ASN 71 HB1 ASN 71 4.335 0.038 -6.075 514 HD21 ASN 71 HD21 ASN 71 1.412 -1.504 -7.045 515 HD22 ASN 71 HD22 ASN 71 1.153 -0.570 -8.473 516 H THR 72 HN THR 72 4.731 -3.662 -4.740 517 HA THR 72 HA THR 72 7.136 -2.370 -3.656 518 HB THR 72 HB THR 72 6.402 -3.197 -1.457 519 HG1 THR 72 HG1 THR 72 3.901 -3.833 -2.630 520 HG21 THR 72 HG21 THR 72 5.624 -0.969 -2.616 521 HG22 THR 72 HG22 THR 72 4.871 -1.486 -1.106 522 HG23 THR 72 HG23 THR 72 4.049 -1.773 -2.641 523 H GLY 73 HN GLY 73 5.855 -5.249 -4.957 524 HA2 GLY 73 HA2 GLY 73 7.197 -6.979 -5.754 525 HA3 GLY 73 HA1 GLY 73 8.524 -6.323 -4.817 526 H LEU 74 HN LEU 74 5.771 -6.595 -2.985 527 HA LEU 74 HA LEU 74 6.974 -8.783 -1.510 528 HB2 LEU 74 HB2 LEU 74 5.794 -6.390 -0.810 529 HB3 LEU 74 HB1 LEU 74 4.554 -7.564 -0.427 530 HG LEU 74 HG LEU 74 6.184 -8.795 0.961 531 HD11 LEU 74 HD11 LEU 74 7.949 -6.566 0.013 532 HD12 LEU 74 HD12 LEU 74 8.254 -8.305 -0.000 533 HD13 LEU 74 HD13 LEU 74 8.275 -7.416 1.528 534 HD21 LEU 74 HD21 LEU 74 5.994 -5.884 1.693 535 HD22 LEU 74 HD22 LEU 74 6.180 -7.252 2.789 536 HD23 LEU 74 HD23 LEU 74 4.682 -7.045 1.884 537 H ASP 75 HN ASP 75 6.365 -10.717 -1.692 538 HA ASP 75 HA ASP 75 3.933 -11.362 -3.144 539 HB2 ASP 75 HB2 ASP 75 6.089 -12.372 -3.743 540 HB3 ASP 75 HB1 ASP 75 6.163 -13.095 -2.145 541 H LEU 76 HN LEU 76 2.796 -10.510 -1.178 542 HA LEU 76 HA LEU 76 2.337 -12.715 0.706 543 HB2 LEU 76 HB2 LEU 76 1.984 -9.746 1.097 544 HB3 LEU 76 HB1 LEU 76 1.491 -10.959 2.267 545 HG LEU 76 HG LEU 76 4.328 -10.550 1.313 546 HD11 LEU 76 HD11 LEU 76 3.553 -8.662 2.642 547 HD12 LEU 76 HD12 LEU 76 4.749 -9.619 3.516 548 HD13 LEU 76 HD13 LEU 76 3.039 -9.765 3.914 549 HD21 LEU 76 HD21 LEU 76 4.887 -12.026 3.199 550 HD22 LEU 76 HD22 LEU 76 3.903 -12.832 1.978 551 HD23 LEU 76 HD23 LEU 76 3.166 -12.285 3.483 552 HA PRO 77 HA PRO 77 -1.669 -13.131 -0.929 553 HB2 PRO 77 HB2 PRO 77 -2.716 -14.343 1.442 554 HB3 PRO 77 HB1 PRO 77 -1.999 -15.146 0.045 555 HG2 PRO 77 HG2 PRO 77 -0.904 -15.103 2.580 556 HG3 PRO 77 HG1 PRO 77 -0.002 -15.420 1.088 557 HD2 PRO 77 HD2 PRO 77 -0.239 -12.888 2.662 558 HD3 PRO 77 HD1 PRO 77 1.178 -13.587 1.850 559 HA PRO 78 HA PRO 78 -5.093 -10.486 0.477 560 HB2 PRO 78 HB2 PRO 78 -6.962 -12.310 1.468 561 HB3 PRO 78 HB1 PRO 78 -6.842 -11.757 -0.201 562 HG2 PRO 78 HG2 PRO 78 -5.776 -14.246 1.052 563 HG3 PRO 78 HG1 PRO 78 -6.507 -14.017 -0.549 564 HD2 PRO 78 HD2 PRO 78 -3.876 -14.267 -0.297 565 HD3 PRO 78 HD1 PRO 78 -4.561 -13.089 -1.435 566 H THR 79 HN THR 79 -6.894 -10.609 2.537 567 HA THR 79 HA THR 79 -7.154 -10.016 4.640 568 HB THR 79 HB THR 79 -6.260 -11.328 6.435 569 HG1 THR 79 HG1 THR 79 -4.407 -12.241 4.483 570 HG21 THR 79 HG21 THR 79 -6.823 -13.091 4.057 571 HG22 THR 79 HG22 THR 79 -8.042 -12.283 5.041 572 HG23 THR 79 HG23 THR 79 -7.016 -13.526 5.756 573 H LEU 80 HN LEU 80 -4.741 -9.000 2.963 574 HA LEU 80 HA LEU 80 -2.969 -7.926 4.910 575 HB2 LEU 80 HB2 LEU 80 -2.413 -8.230 2.500 576 HB3 LEU 80 HB1 LEU 80 -3.536 -6.942 2.109 577 HG LEU 80 HG LEU 80 -2.159 -5.346 3.352 578 HD11 LEU 80 HD11 LEU 80 -1.252 -6.831 5.037 579 HD12 LEU 80 HD12 LEU 80 0.051 -6.014 4.175 580 HD13 LEU 80 HD13 LEU 80 -0.332 -7.695 3.806 581 HD21 LEU 80 HD21 LEU 80 -0.603 -6.973 1.348 582 HD22 LEU 80 HD22 LEU 80 -0.231 -5.321 1.843 583 HD23 LEU 80 HD23 LEU 80 -1.729 -5.668 0.978 584 H ILE 81 HN ILE 81 -5.882 -6.822 3.316 585 HA ILE 81 HA ILE 81 -5.877 -4.206 4.490 586 HB ILE 81 HB ILE 81 -8.274 -5.716 3.423 587 HG12 ILE 81 HG12 ILE 81 -6.693 -5.705 1.648 588 HG13 ILE 81 HG11 ILE 81 -7.798 -4.385 1.340 589 HG21 ILE 81 HG21 ILE 81 -7.787 -2.765 3.396 590 HG22 ILE 81 HG22 ILE 81 -8.602 -3.572 4.741 591 HG23 ILE 81 HG23 ILE 81 -9.298 -3.628 3.119 592 HD11 ILE 81 HD11 ILE 81 -5.111 -4.101 2.635 593 HD12 ILE 81 HD12 ILE 81 -6.206 -2.805 2.153 594 HD13 ILE 81 HD13 ILE 81 -5.451 -3.825 0.926 595 H PHE 82 HN PHE 82 -7.218 -7.314 5.299 596 HA PHE 82 HA PHE 82 -8.780 -6.505 7.494 597 HB2 PHE 82 HB2 PHE 82 -7.574 -9.171 6.741 598 HB3 PHE 82 HB1 PHE 82 -8.744 -8.943 8.032 599 HD1 PHE 82 HD1 PHE 82 -10.995 -9.082 7.589 600 HD2 PHE 82 HD2 PHE 82 -8.297 -8.358 4.371 601 HE1 PHE 82 HE1 PHE 82 -12.844 -9.298 5.991 602 HE2 PHE 82 HE2 PHE 82 -10.151 -8.577 2.771 603 HZ PHE 82 HZ PHE 82 -12.426 -9.046 3.576 604 H ASP 83 HN ASP 83 -5.408 -7.259 7.122 605 HA ASP 83 HA ASP 83 -4.960 -7.271 10.004 606 HB2 ASP 83 HB2 ASP 83 -3.787 -8.885 8.475 607 HB3 ASP 83 HB1 ASP 83 -2.929 -7.516 7.782 608 H HIS 84 HN HIS 84 -4.538 -5.260 7.201 609 HA HIS 84 HA HIS 84 -3.639 -3.050 8.931 610 HB2 HIS 84 HB2 HIS 84 -2.643 -3.769 6.174 611 HB3 HIS 84 HB1 HIS 84 -2.357 -2.208 6.911 612 HD1 HIS 84 HD1 HIS 84 -0.506 -2.080 8.693 613 HD2 HIS 84 HD2 HIS 84 -1.254 -5.939 7.344 614 HE1 HIS 84 HE1 HIS 84 1.373 -3.481 9.588 615 HE2 HIS 84 HE2 HIS 84 0.771 -5.841 8.945 616 HA PRO 85 HA PRO 85 -7.505 -2.202 6.803 617 HB2 PRO 85 HB2 PRO 85 -8.818 -1.023 8.791 618 HB3 PRO 85 HB1 PRO 85 -8.423 -2.745 8.854 619 HG2 PRO 85 HG2 PRO 85 -7.082 -0.441 10.211 620 HG3 PRO 85 HG1 PRO 85 -7.443 -2.057 10.843 621 HD2 PRO 85 HD2 PRO 85 -4.986 -1.239 9.824 622 HD3 PRO 85 HD1 PRO 85 -5.510 -2.924 10.010 623 H THR 86 HN THR 86 -5.143 0.118 7.415 624 HA THR 86 HA THR 86 -6.876 2.119 6.173 625 HB THR 86 HB THR 86 -5.768 3.915 7.401 626 HG1 THR 86 HG1 THR 86 -4.662 2.699 9.440 627 HG21 THR 86 HG21 THR 86 -7.835 3.035 8.337 628 HG22 THR 86 HG22 THR 86 -6.733 3.509 9.628 629 HG23 THR 86 HG23 THR 86 -6.930 1.805 9.218 630 HA PRO 87 HA PRO 87 -3.648 2.604 3.138 631 HB2 PRO 87 HB2 PRO 87 -3.861 5.529 3.443 632 HB3 PRO 87 HB1 PRO 87 -4.025 4.534 2.000 633 HG2 PRO 87 HG2 PRO 87 -6.165 5.635 3.183 634 HG3 PRO 87 HG1 PRO 87 -6.236 4.043 2.410 635 HD2 PRO 87 HD2 PRO 87 -6.131 4.741 5.309 636 HD3 PRO 87 HD1 PRO 87 -6.981 3.413 4.493 637 H HIS 88 HN HIS 88 -3.539 4.538 6.075 638 HA HIS 88 HA HIS 88 -0.746 4.926 6.188 639 HB2 HIS 88 HB2 HIS 88 -2.301 6.074 7.706 640 HB3 HIS 88 HB1 HIS 88 -2.769 4.538 8.412 641 HD1 HIS 88 HD1 HIS 88 0.634 6.195 7.883 642 HD2 HIS 88 HD2 HIS 88 -1.644 4.382 10.848 643 HE1 HIS 88 HE1 HIS 88 2.083 6.188 9.937 644 HE2 HIS 88 HE2 HIS 88 0.678 5.111 11.730 645 H ALA 89 HN ALA 89 -2.812 2.408 7.588 646 HA ALA 89 HA ALA 89 -0.864 0.810 8.732 647 HB1 ALA 89 HB1 ALA 89 -3.477 -0.049 7.510 648 HB2 ALA 89 HB2 ALA 89 -3.242 0.548 9.157 649 HB3 ALA 89 HB3 ALA 89 -2.512 -0.982 8.658 650 H LEU 90 HN LEU 90 -2.408 0.230 5.533 651 HA LEU 90 HA LEU 90 -0.844 -1.894 4.730 652 HB2 LEU 90 HB2 LEU 90 -2.676 -0.105 3.536 653 HB3 LEU 90 HB1 LEU 90 -1.267 -0.146 2.515 654 HG LEU 90 HG LEU 90 -1.466 -2.493 2.162 655 HD11 LEU 90 HD11 LEU 90 -3.308 -3.782 3.166 656 HD12 LEU 90 HD12 LEU 90 -3.696 -2.397 4.181 657 HD13 LEU 90 HD13 LEU 90 -2.144 -3.214 4.356 658 HD21 LEU 90 HD21 LEU 90 -4.137 -1.123 1.972 659 HD22 LEU 90 HD22 LEU 90 -3.689 -2.600 1.127 660 HD23 LEU 90 HD23 LEU 90 -2.851 -1.090 0.767 661 H THR 91 HN THR 91 -0.242 1.545 4.371 662 HA THR 91 HA THR 91 2.117 1.358 2.922 663 HB THR 91 HB THR 91 0.995 3.442 4.790 664 HG1 THR 91 HG1 THR 91 -0.004 3.647 2.915 665 HG21 THR 91 HG21 THR 91 3.662 3.517 3.413 666 HG22 THR 91 HG22 THR 91 3.295 3.815 5.110 667 HG23 THR 91 HG23 THR 91 2.797 4.978 3.883 668 H GLN 92 HN GLN 92 1.564 1.619 6.418 669 HA GLN 92 HA GLN 92 4.137 1.523 7.384 670 HB2 GLN 92 HB2 GLN 92 1.660 0.175 8.476 671 HB3 GLN 92 HB1 GLN 92 3.134 0.419 9.392 672 HG2 GLN 92 HG2 GLN 92 2.830 2.887 8.975 673 HG3 GLN 92 HG1 GLN 92 1.230 2.485 8.362 674 HE21 GLN 92 HE21 GLN 92 3.242 2.725 11.157 675 HE22 GLN 92 HE22 GLN 92 1.988 2.515 12.329 676 H HIS 93 HN HIS 93 2.058 -1.130 6.404 677 HA HIS 93 HA HIS 93 3.654 -3.279 7.142 678 HB2 HIS 93 HB2 HIS 93 1.377 -3.619 6.468 679 HB3 HIS 93 HB1 HIS 93 1.690 -2.949 4.873 680 HD1 HIS 93 HD1 HIS 93 2.689 -5.968 6.961 681 HD2 HIS 93 HD2 HIS 93 2.288 -4.787 2.986 682 HE1 HIS 93 HE1 HIS 93 3.052 -8.044 5.599 683 HE2 HIS 93 HE2 HIS 93 2.576 -7.347 3.227 684 H LEU 94 HN LEU 94 3.551 -1.622 3.961 685 HA LEU 94 HA LEU 94 5.712 -3.288 2.988 686 HB2 LEU 94 HB2 LEU 94 4.391 -0.849 1.770 687 HB3 LEU 94 HB1 LEU 94 5.442 -1.977 0.937 688 HG LEU 94 HG LEU 94 2.862 -2.848 2.211 689 HD11 LEU 94 HD11 LEU 94 2.540 -1.023 0.506 690 HD12 LEU 94 HD12 LEU 94 1.690 -2.544 0.230 691 HD13 LEU 94 HD13 LEU 94 3.148 -2.177 -0.698 692 HD21 LEU 94 HD21 LEU 94 4.515 -4.588 1.635 693 HD22 LEU 94 HD22 LEU 94 4.505 -4.027 -0.043 694 HD23 LEU 94 HD23 LEU 94 3.045 -4.718 0.670 695 H HIS 95 HN HIS 95 5.444 -0.287 4.637 696 HA HIS 95 HA HIS 95 7.991 0.772 3.771 697 HB2 HIS 95 HB2 HIS 95 6.167 2.269 4.595 698 HB3 HIS 95 HB1 HIS 95 6.307 1.528 6.182 699 HD1 HIS 95 HD1 HIS 95 8.102 2.389 7.717 700 HD2 HIS 95 HD2 HIS 95 8.434 3.923 3.856 701 HE1 HIS 95 HE1 HIS 95 9.848 4.182 7.847 702 HE2 HIS 95 HE2 HIS 95 10.194 4.913 5.471 703 H THR 96 HN THR 96 6.756 -1.374 6.150 704 HA THR 96 HA THR 96 9.152 -1.380 7.751 705 HB THR 96 HB THR 96 6.413 -2.485 7.897 706 HG1 THR 96 HG1 THR 96 8.273 -1.521 9.828 707 HG21 THR 96 HG21 THR 96 8.676 -3.914 9.274 708 HG22 THR 96 HG22 THR 96 7.707 -4.544 7.942 709 HG23 THR 96 HG23 THR 96 6.951 -4.213 9.501 710 H ARG 97 HN ARG 97 7.359 -3.562 5.593 711 HA ARG 97 HA ARG 97 9.154 -5.704 5.738 712 HB2 ARG 97 HB2 ARG 97 7.032 -4.924 3.796 713 HB3 ARG 97 HB1 ARG 97 8.022 -6.336 3.510 714 HG2 ARG 97 HG2 ARG 97 6.476 -5.850 6.021 715 HG3 ARG 97 HG1 ARG 97 5.846 -6.763 4.646 716 HD2 ARG 97 HD2 ARG 97 8.378 -7.420 6.145 717 HD3 ARG 97 HD1 ARG 97 6.816 -8.183 6.408 718 HE ARG 97 HE ARG 97 7.218 -8.561 3.771 719 HH11 ARG 97 HH11 ARG 97 9.180 -9.217 6.590 720 HH12 ARG 97 HH12 ARG 97 9.989 -10.567 5.867 721 HH21 ARG 97 HH21 ARG 97 8.276 -10.361 2.822 722 HH22 ARG 97 HH22 ARG 97 9.484 -11.211 3.732 723 H LEU 98 HN LEU 98 9.218 -2.820 3.895 724 HA LEU 98 HA LEU 98 10.961 -3.608 1.843 725 HB2 LEU 98 HB2 LEU 98 9.465 -1.451 2.375 726 HB3 LEU 98 HB1 LEU 98 11.029 -0.842 2.844 727 HG LEU 98 HG LEU 98 10.107 -0.506 0.407 728 HD11 LEU 98 HD11 LEU 98 12.306 -0.208 -0.362 729 HD12 LEU 98 HD12 LEU 98 12.942 -1.408 0.766 730 HD13 LEU 98 HD13 LEU 98 12.333 0.133 1.368 731 HD21 LEU 98 HD21 LEU 98 9.771 -2.989 0.157 732 HD22 LEU 98 HD22 LEU 98 11.529 -3.140 0.101 733 HD23 LEU 98 HD23 LEU 98 10.685 -2.210 -1.135 734 H THR 99 HN THR 99 11.522 -3.156 5.151 735 HA THR 99 HA THR 99 14.418 -3.173 4.700 736 HB THR 99 HB THR 99 13.785 -0.880 5.100 737 HG1 THR 99 HG1 THR 99 15.180 -2.149 7.223 738 HG21 THR 99 HG21 THR 99 11.742 -1.145 6.316 739 HG22 THR 99 HG22 THR 99 12.858 -0.176 7.282 740 HG23 THR 99 HG23 THR 99 12.603 -1.877 7.673 741 H GLN 100 HN GLN 100 12.072 -4.859 5.700 742 HA GLN 100 HA GLN 100 13.499 -6.001 7.996 743 HB2 GLN 100 HB2 GLN 100 10.518 -5.650 7.774 744 HB3 GLN 100 HB1 GLN 100 11.321 -6.543 9.041 745 HG2 GLN 100 HG2 GLN 100 12.437 -3.929 8.856 746 HG3 GLN 100 HG1 GLN 100 10.688 -3.858 8.983 747 HE21 GLN 100 HE21 GLN 100 10.754 -2.994 11.049 748 HE22 GLN 100 HE22 GLN 100 11.179 -3.948 12.428 749 H SER 101 HN SER 101 14.095 -7.012 5.676 750 HA SER 101 HA SER 101 12.758 -9.586 5.642 751 HB2 SER 101 HB2 SER 101 12.566 -9.447 3.100 752 HB3 SER 101 HB1 SER 101 11.394 -8.515 4.027 753 HG SER 101 HG SER 101 13.278 -6.834 3.742 754 H HIS 102 HN HIS 102 13.865 -11.069 4.042 755 HA HIS 102 HA HIS 102 16.740 -10.578 4.210 756 HB2 HIS 102 HB2 HIS 102 17.024 -13.014 3.854 757 HB3 HIS 102 HB1 HIS 102 16.116 -12.633 5.290 758 HD1 HIS 102 HD1 HIS 102 15.931 -15.421 4.168 759 HD2 HIS 102 HD2 HIS 102 13.324 -12.375 3.076 760 HE1 HIS 102 HE1 HIS 102 13.852 -16.573 3.346 761 HE2 HIS 102 HE2 HIS 102 12.275 -14.713 2.708 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 7.929 -5.526 -17.556 2 H2 GLY 1 HT2 GLY 1 7.189 -7.045 -17.618 3 H3 GLY 1 HT3 GLY 1 8.872 -6.922 -17.702 4 HA2 GLY 1 HA1 GLY 1 7.211 -6.190 -15.361 5 HA3 GLY 1 HA2 GLY 1 8.159 -7.661 -15.514 6 H ALA 2 HN ALA 2 8.772 -6.301 -13.372 7 HA ALA 2 HA ALA 2 11.232 -4.835 -14.070 8 HB1 ALA 2 HB1 ALA 2 9.419 -4.282 -11.725 9 HB2 ALA 2 HB2 ALA 2 9.530 -3.308 -13.190 10 HB3 ALA 2 HB3 ALA 2 10.915 -3.433 -12.107 11 H ALA 3 HN ALA 3 10.361 -7.681 -13.161 12 HA ALA 3 HA ALA 3 11.201 -9.403 -11.969 13 HB1 ALA 3 HB1 ALA 3 13.531 -9.339 -11.257 14 HB2 ALA 3 HB2 ALA 3 13.576 -7.596 -11.523 15 HB3 ALA 3 HB3 ALA 3 13.352 -8.689 -12.887 16 H SER 4 HN SER 4 12.821 -7.037 -9.923 17 HA SER 4 HA SER 4 10.895 -7.667 -7.796 18 HB2 SER 4 HB2 SER 4 13.138 -8.508 -7.277 19 HB3 SER 4 HB1 SER 4 13.812 -6.900 -7.538 20 HG SER 4 HG SER 4 13.452 -7.329 -5.319 21 H ALA 5 HN ALA 5 9.468 -5.999 -7.824 22 HA ALA 5 HA ALA 5 10.365 -3.297 -8.230 23 HB1 ALA 5 HB1 ALA 5 8.040 -2.673 -7.766 24 HB2 ALA 5 HB2 ALA 5 7.687 -4.339 -7.310 25 HB3 ALA 5 HB3 ALA 5 8.142 -3.956 -8.969 26 H ALA 6 HN ALA 6 10.735 -5.349 -5.728 27 HA ALA 6 HA ALA 6 10.202 -3.494 -3.570 28 HB1 ALA 6 HB1 ALA 6 11.602 -6.167 -3.569 29 HB2 ALA 6 HB2 ALA 6 9.893 -5.880 -3.219 30 HB3 ALA 6 HB3 ALA 6 11.136 -5.242 -2.139 31 H THR 7 HN THR 7 12.659 -4.139 -5.772 32 HA THR 7 HA THR 7 14.597 -2.667 -4.146 33 HB THR 7 HB THR 7 15.486 -4.725 -5.085 34 HG1 THR 7 HG1 THR 7 16.985 -3.072 -4.886 35 HG21 THR 7 HG21 THR 7 14.081 -4.903 -7.080 36 HG22 THR 7 HG22 THR 7 15.793 -5.011 -7.494 37 HG23 THR 7 HG23 THR 7 14.911 -3.513 -7.786 38 H ASP 8 HN ASP 8 12.175 -2.209 -6.356 39 HA ASP 8 HA ASP 8 13.383 0.146 -7.570 40 HB2 ASP 8 HB2 ASP 8 11.173 -1.624 -8.238 41 HB3 ASP 8 HB1 ASP 8 10.698 0.069 -8.235 42 H LEU 9 HN LEU 9 10.914 -0.999 -5.407 43 HA LEU 9 HA LEU 9 9.672 1.474 -4.902 44 HB2 LEU 9 HB2 LEU 9 8.558 -0.523 -4.221 45 HB3 LEU 9 HB1 LEU 9 9.917 -1.021 -3.235 46 HG LEU 9 HG LEU 9 9.564 1.064 -1.878 47 HD11 LEU 9 HD11 LEU 9 7.405 2.140 -1.985 48 HD12 LEU 9 HD12 LEU 9 6.928 1.094 -3.325 49 HD13 LEU 9 HD13 LEU 9 8.250 2.268 -3.540 50 HD21 LEU 9 HD21 LEU 9 7.848 0.053 -0.522 51 HD22 LEU 9 HD22 LEU 9 8.949 -1.177 -1.138 52 HD23 LEU 9 HD23 LEU 9 7.358 -0.975 -1.864 53 H ALA 10 HN ALA 10 11.877 -0.452 -2.998 54 HA ALA 10 HA ALA 10 12.623 1.590 -1.190 55 HB1 ALA 10 HB1 ALA 10 14.024 -0.963 -1.966 56 HB2 ALA 10 HB2 ALA 10 12.935 -0.707 -0.598 57 HB3 ALA 10 HB3 ALA 10 14.516 0.077 -0.629 58 H ALA 11 HN ALA 11 13.150 1.514 -4.419 59 HA ALA 11 HA ALA 11 15.708 2.870 -4.377 60 HB1 ALA 11 HB1 ALA 11 15.318 3.102 -6.815 61 HB2 ALA 11 HB2 ALA 11 13.783 2.248 -6.599 62 HB3 ALA 11 HB3 ALA 11 15.311 1.434 -6.243 63 H ARG 12 HN ARG 12 12.213 3.625 -4.911 64 HA ARG 12 HA ARG 12 12.477 6.398 -5.194 65 HB2 ARG 12 HB2 ARG 12 10.407 4.526 -4.144 66 HB3 ARG 12 HB1 ARG 12 10.183 6.236 -3.861 67 HG2 ARG 12 HG2 ARG 12 8.951 5.869 -5.753 68 HG3 ARG 12 HG1 ARG 12 10.491 6.411 -6.412 69 HD2 ARG 12 HD2 ARG 12 10.159 3.521 -5.959 70 HD3 ARG 12 HD1 ARG 12 9.237 4.235 -7.289 71 HE ARG 12 HE ARG 12 11.995 5.014 -7.315 72 HH11 ARG 12 HH11 ARG 12 9.770 2.477 -8.260 73 HH12 ARG 12 HH12 ARG 12 10.783 1.904 -9.553 74 HH21 ARG 12 HH21 ARG 12 13.306 4.280 -9.032 75 HH22 ARG 12 HH22 ARG 12 12.780 2.940 -9.998 76 H LEU 13 HN LEU 13 12.569 4.243 -2.502 77 HA LEU 13 HA LEU 13 12.241 6.271 -0.485 78 HB2 LEU 13 HB2 LEU 13 12.657 3.314 -0.493 79 HB3 LEU 13 HB1 LEU 13 12.748 4.215 1.000 80 HG LEU 13 HG LEU 13 10.440 4.777 0.914 81 HD11 LEU 13 HD11 LEU 13 10.020 5.434 -1.251 82 HD12 LEU 13 HD12 LEU 13 9.026 3.991 -1.023 83 HD13 LEU 13 HD13 LEU 13 10.549 3.887 -1.921 84 HD21 LEU 13 HD21 LEU 13 9.342 2.616 0.812 85 HD22 LEU 13 HD22 LEU 13 10.895 2.510 1.641 86 HD23 LEU 13 HD23 LEU 13 10.742 1.944 -0.022 87 H ASN 14 HN ASN 14 14.750 4.301 -1.843 88 HA ASN 14 HA ASN 14 16.893 4.728 -0.219 89 HB2 ASN 14 HB2 ASN 14 16.373 3.759 -2.765 90 HB3 ASN 14 HB1 ASN 14 17.563 5.031 -3.029 91 HD21 ASN 14 HD21 ASN 14 17.511 1.982 -3.051 92 HD22 ASN 14 HD22 ASN 14 18.932 1.553 -2.162 93 H GLY 15 HN GLY 15 17.994 6.422 0.432 94 HA2 GLY 15 HA2 GLY 15 19.119 8.491 0.136 95 HA3 GLY 15 HA1 GLY 15 18.042 8.857 -1.207 96 H LEU 16 HN LEU 16 15.683 8.027 0.265 97 HA LEU 16 HA LEU 16 15.160 10.562 1.524 98 HB2 LEU 16 HB2 LEU 16 13.502 8.201 0.739 99 HB3 LEU 16 HB1 LEU 16 12.844 9.423 1.799 100 HG LEU 16 HG LEU 16 13.875 9.884 -0.992 101 HD11 LEU 16 HD11 LEU 16 11.769 8.678 -0.993 102 HD12 LEU 16 HD12 LEU 16 11.518 10.345 -1.513 103 HD13 LEU 16 HD13 LEU 16 11.072 9.853 0.121 104 HD21 LEU 16 HD21 LEU 16 12.748 12.130 -0.560 105 HD22 LEU 16 HD22 LEU 16 14.301 11.832 0.219 106 HD23 LEU 16 HD23 LEU 16 12.805 11.688 1.154 107 H SER 17 HN SER 17 14.018 10.715 3.524 108 HA SER 17 HA SER 17 15.101 9.017 5.608 109 HB2 SER 17 HB2 SER 17 13.316 11.455 5.677 110 HB3 SER 17 HB1 SER 17 13.976 10.653 7.095 111 HG SER 17 HG SER 17 15.380 12.008 5.035 112 HA PRO 18 HA PRO 18 11.963 6.049 6.486 113 HB2 PRO 18 HB2 PRO 18 11.225 7.550 8.887 114 HB3 PRO 18 HB1 PRO 18 11.860 5.917 8.735 115 HG2 PRO 18 HG2 PRO 18 13.270 8.355 9.272 116 HG3 PRO 18 HG1 PRO 18 13.883 6.707 9.341 117 HD2 PRO 18 HD2 PRO 18 14.705 8.542 7.516 118 HD3 PRO 18 HD1 PRO 18 14.646 6.800 7.168 119 H GLN 19 HN GLN 19 10.813 9.278 7.501 120 HA GLN 19 HA GLN 19 8.073 8.666 7.008 121 HB2 GLN 19 HB2 GLN 19 8.918 10.409 8.600 122 HB3 GLN 19 HB1 GLN 19 9.312 11.403 7.204 123 HG2 GLN 19 HG2 GLN 19 7.219 12.155 7.956 124 HG3 GLN 19 HG1 GLN 19 6.916 11.178 6.517 125 HE21 GLN 19 HE21 GLN 19 4.795 10.761 7.103 126 HE22 GLN 19 HE22 GLN 19 4.397 9.670 8.381 127 H GLN 20 HN GLN 20 10.581 10.176 5.071 128 HA GLN 20 HA GLN 20 8.877 11.184 3.002 129 HB2 GLN 20 HB2 GLN 20 11.816 10.444 3.074 130 HB3 GLN 20 HB1 GLN 20 11.038 11.160 1.668 131 HG2 GLN 20 HG2 GLN 20 11.242 12.431 4.373 132 HG3 GLN 20 HG1 GLN 20 12.300 12.769 3.020 133 HE21 GLN 20 HE21 GLN 20 10.440 14.485 4.549 134 HE22 GLN 20 HE22 GLN 20 9.413 15.202 3.354 135 H GLN 21 HN GLN 21 10.865 8.334 3.456 136 HA GLN 21 HA GLN 21 10.314 6.871 1.146 137 HB2 GLN 21 HB2 GLN 21 10.768 5.978 4.003 138 HB3 GLN 21 HB1 GLN 21 10.844 4.905 2.620 139 HG2 GLN 21 HG2 GLN 21 12.718 6.164 1.731 140 HG3 GLN 21 HG1 GLN 21 12.628 7.284 3.092 141 HE21 GLN 21 HE21 GLN 21 14.814 5.569 2.245 142 HE22 GLN 21 HE22 GLN 21 15.172 4.537 3.590 143 H GLN 22 HN GLN 22 8.621 7.093 4.206 144 HA GLN 22 HA GLN 22 6.629 5.202 3.726 145 HB2 GLN 22 HB2 GLN 22 7.213 6.264 5.914 146 HB3 GLN 22 HB1 GLN 22 6.392 7.699 5.357 147 HG2 GLN 22 HG2 GLN 22 4.498 5.802 4.971 148 HG3 GLN 22 HG1 GLN 22 5.356 5.223 6.396 149 HE21 GLN 22 HE21 GLN 22 3.441 7.799 5.077 150 HE22 GLN 22 HE22 GLN 22 3.026 8.525 6.587 151 H GLN 23 HN GLN 23 6.793 8.647 3.021 152 HA GLN 23 HA GLN 23 4.198 9.120 2.201 153 HB2 GLN 23 HB2 GLN 23 6.755 10.293 1.259 154 HB3 GLN 23 HB1 GLN 23 5.179 10.957 0.851 155 HG2 GLN 23 HG2 GLN 23 4.714 11.284 3.218 156 HG3 GLN 23 HG1 GLN 23 6.279 10.637 3.625 157 HE21 GLN 23 HE21 GLN 23 5.111 13.254 4.164 158 HE22 GLN 23 HE22 GLN 23 6.191 14.413 3.471 159 H THR 24 HN THR 24 6.901 7.892 0.303 160 HA THR 24 HA THR 24 5.710 7.935 -2.226 161 HB THR 24 HB THR 24 7.808 6.265 -0.909 162 HG1 THR 24 HG1 THR 24 7.750 8.546 -2.215 163 HG21 THR 24 HG21 THR 24 8.257 5.075 -2.963 164 HG22 THR 24 HG22 THR 24 6.951 5.930 -3.787 165 HG23 THR 24 HG23 THR 24 6.577 4.785 -2.497 166 H LEU 25 HN LEU 25 5.564 5.476 0.330 167 HA LEU 25 HA LEU 25 3.742 3.785 -1.151 168 HB2 LEU 25 HB2 LEU 25 4.353 3.939 1.782 169 HB3 LEU 25 HB1 LEU 25 3.457 2.656 1.004 170 HG LEU 25 HG LEU 25 6.242 3.210 0.105 171 HD11 LEU 25 HD11 LEU 25 7.134 1.833 1.872 172 HD12 LEU 25 HD12 LEU 25 5.521 1.607 2.553 173 HD13 LEU 25 HD13 LEU 25 6.272 3.204 2.577 174 HD21 LEU 25 HD21 LEU 25 6.184 0.769 -0.216 175 HD22 LEU 25 HD22 LEU 25 4.899 1.586 -1.096 176 HD23 LEU 25 HD23 LEU 25 4.538 0.738 0.407 177 H ALA 26 HN ALA 26 3.609 6.181 1.384 178 HA ALA 26 HA ALA 26 0.832 6.090 1.861 179 HB1 ALA 26 HB1 ALA 26 2.481 8.550 2.316 180 HB2 ALA 26 HB2 ALA 26 2.848 7.079 3.215 181 HB3 ALA 26 HB3 ALA 26 1.247 7.824 3.353 182 H THR 27 HN THR 27 2.214 6.766 -0.879 183 HA THR 27 HA THR 27 0.148 8.642 -1.744 184 HB THR 27 HB THR 27 3.054 8.432 -2.467 185 HG1 THR 27 HG1 THR 27 2.796 10.082 -1.132 186 HG21 THR 27 HG21 THR 27 0.970 9.733 -4.217 187 HG22 THR 27 HG22 THR 27 1.848 8.242 -4.586 188 HG23 THR 27 HG23 THR 27 2.720 9.774 -4.457 189 H LEU 28 HN LEU 28 2.317 6.032 -2.643 190 HA LEU 28 HA LEU 28 1.021 5.263 -5.002 191 HB2 LEU 28 HB2 LEU 28 3.204 4.584 -4.938 192 HB3 LEU 28 HB1 LEU 28 3.113 4.154 -3.246 193 HG LEU 28 HG LEU 28 1.412 2.362 -4.222 194 HD11 LEU 28 HD11 LEU 28 2.252 1.395 -6.271 195 HD12 LEU 28 HD12 LEU 28 3.448 2.690 -6.399 196 HD13 LEU 28 HD13 LEU 28 1.728 3.063 -6.525 197 HD21 LEU 28 HD21 LEU 28 3.077 1.709 -2.761 198 HD22 LEU 28 HD22 LEU 28 4.370 2.206 -3.863 199 HD23 LEU 28 HD23 LEU 28 3.393 0.781 -4.237 200 H VAL 29 HN VAL 29 0.965 4.079 -1.724 201 HA VAL 29 HA VAL 29 -0.669 1.827 -2.208 202 HB VAL 29 HB VAL 29 -0.073 3.403 0.294 203 HG11 VAL 29 HG11 VAL 29 -2.324 2.342 0.419 204 HG12 VAL 29 HG12 VAL 29 -1.171 1.703 1.594 205 HG13 VAL 29 HG13 VAL 29 -1.557 0.777 0.143 206 HG21 VAL 29 HG21 VAL 29 0.768 0.636 -0.557 207 HG22 VAL 29 HG22 VAL 29 1.339 1.538 0.846 208 HG23 VAL 29 HG23 VAL 29 1.737 2.091 -0.784 209 H ALA 30 HN ALA 30 -1.249 5.149 -1.449 210 HA ALA 30 HA ALA 30 -4.082 4.857 -1.189 211 HB1 ALA 30 HB1 ALA 30 -2.264 7.218 -1.431 212 HB2 ALA 30 HB2 ALA 30 -3.045 6.601 0.027 213 HB3 ALA 30 HB3 ALA 30 -4.010 7.347 -1.250 214 H ALA 31 HN ALA 31 -1.788 5.697 -3.649 215 HA ALA 31 HA ALA 31 -3.575 6.460 -5.683 216 HB1 ALA 31 HB1 ALA 31 -1.744 6.148 -7.176 217 HB2 ALA 31 HB2 ALA 31 -0.969 4.995 -6.082 218 HB3 ALA 31 HB3 ALA 31 -1.041 6.699 -5.645 219 H ALA 32 HN ALA 32 -2.213 3.422 -4.666 220 HA ALA 32 HA ALA 32 -3.476 1.640 -6.364 221 HB1 ALA 32 HB1 ALA 32 -1.766 0.862 -4.947 222 HB2 ALA 32 HB2 ALA 32 -3.239 0.086 -4.355 223 HB3 ALA 32 HB3 ALA 32 -2.569 1.488 -3.508 224 H THR 33 HN THR 33 -4.604 2.973 -3.231 225 HA THR 33 HA THR 33 -7.114 1.570 -3.469 226 HB THR 33 HB THR 33 -6.515 3.854 -1.583 227 HG1 THR 33 HG1 THR 33 -4.892 2.157 -1.460 228 HG21 THR 33 HG21 THR 33 -8.817 3.259 -1.564 229 HG22 THR 33 HG22 THR 33 -8.098 2.505 -0.140 230 HG23 THR 33 HG23 THR 33 -8.443 1.536 -1.577 231 H ALA 34 HN ALA 34 -5.844 4.612 -4.484 232 HA ALA 34 HA ALA 34 -8.297 5.922 -4.963 233 HB1 ALA 34 HB1 ALA 34 -6.163 7.117 -4.965 234 HB2 ALA 34 HB2 ALA 34 -7.011 7.342 -6.499 235 HB3 ALA 34 HB3 ALA 34 -5.651 6.221 -6.397 236 H THR 35 HN THR 35 -6.440 3.512 -6.599 237 HA THR 35 HA THR 35 -7.831 3.527 -9.064 238 HB THR 35 HB THR 35 -5.854 1.801 -7.672 239 HG1 THR 35 HG1 THR 35 -4.993 3.307 -9.013 240 HG21 THR 35 HG21 THR 35 -6.039 0.019 -9.278 241 HG22 THR 35 HG22 THR 35 -7.372 0.845 -10.086 242 HG23 THR 35 HG23 THR 35 -7.581 0.241 -8.436 243 H VAL 36 HN VAL 36 -7.922 1.411 -6.202 244 HA VAL 36 HA VAL 36 -9.699 -0.474 -7.153 245 HB VAL 36 HB VAL 36 -10.221 -0.916 -4.730 246 HG11 VAL 36 HG11 VAL 36 -7.421 -0.850 -5.736 247 HG12 VAL 36 HG12 VAL 36 -8.539 -2.219 -5.636 248 HG13 VAL 36 HG13 VAL 36 -7.845 -1.539 -4.168 249 HG21 VAL 36 HG21 VAL 36 -8.450 0.265 -3.248 250 HG22 VAL 36 HG22 VAL 36 -10.045 0.954 -3.527 251 HG23 VAL 36 HG23 VAL 36 -8.662 1.544 -4.447 252 H LEU 37 HN LEU 37 -10.397 2.647 -5.721 253 HA LEU 37 HA LEU 37 -13.216 1.962 -5.415 254 HB2 LEU 37 HB2 LEU 37 -11.898 4.578 -4.772 255 HB3 LEU 37 HB1 LEU 37 -13.396 3.942 -4.130 256 HG LEU 37 HG LEU 37 -10.697 2.722 -3.606 257 HD11 LEU 37 HD11 LEU 37 -10.851 4.997 -2.724 258 HD12 LEU 37 HD12 LEU 37 -10.762 3.779 -1.455 259 HD13 LEU 37 HD13 LEU 37 -12.304 4.539 -1.835 260 HD21 LEU 37 HD21 LEU 37 -13.400 2.309 -2.352 261 HD22 LEU 37 HD22 LEU 37 -11.895 1.586 -1.784 262 HD23 LEU 37 HD23 LEU 37 -12.532 1.168 -3.375 263 H GLY 38 HN GLY 38 -11.566 2.773 -8.022 264 HA2 GLY 38 HA2 GLY 38 -12.391 3.527 -10.061 265 HA3 GLY 38 HA1 GLY 38 -13.850 4.059 -9.241 266 H HIS 39 HN HIS 39 -11.484 5.341 -7.450 267 HA HIS 39 HA HIS 39 -11.774 7.973 -8.575 268 HB2 HIS 39 HB2 HIS 39 -10.138 6.914 -6.256 269 HB3 HIS 39 HB1 HIS 39 -10.164 8.608 -6.725 270 HD1 HIS 39 HD1 HIS 39 -11.598 9.884 -5.190 271 HD2 HIS 39 HD2 HIS 39 -13.119 6.079 -5.890 272 HE1 HIS 39 HE1 HIS 39 -13.715 9.742 -3.839 273 HE2 HIS 39 HE2 HIS 39 -14.542 7.386 -4.170 274 H HIS 40 HN HIS 40 -9.228 9.084 -8.236 275 HA HIS 40 HA HIS 40 -7.450 7.416 -9.841 276 HB2 HIS 40 HB2 HIS 40 -8.874 9.156 -11.213 277 HB3 HIS 40 HB1 HIS 40 -7.674 10.293 -10.606 278 HD1 HIS 40 HD1 HIS 40 -8.107 9.242 -13.628 279 HD2 HIS 40 HD2 HIS 40 -5.083 8.144 -10.983 280 HE1 HIS 40 HE1 HIS 40 -6.216 8.413 -15.064 281 HE2 HIS 40 HE2 HIS 40 -4.456 7.632 -13.441 282 H THR 41 HN THR 41 -7.799 10.482 -8.035 283 HA THR 41 HA THR 41 -4.932 10.437 -7.597 284 HB THR 41 HB THR 41 -5.918 12.598 -8.163 285 HG1 THR 41 HG1 THR 41 -4.173 13.068 -7.045 286 HG21 THR 41 HG21 THR 41 -8.093 12.341 -7.068 287 HG22 THR 41 HG22 THR 41 -7.272 13.802 -6.517 288 HG23 THR 41 HG23 THR 41 -7.291 12.362 -5.498 289 HA PRO 42 HA PRO 42 -5.068 8.643 -3.562 290 HB2 PRO 42 HB2 PRO 42 -2.606 10.105 -3.019 291 HB3 PRO 42 HB1 PRO 42 -2.847 8.370 -3.212 292 HG2 PRO 42 HG2 PRO 42 -1.526 9.907 -5.027 293 HG3 PRO 42 HG1 PRO 42 -2.399 8.421 -5.435 294 HD2 PRO 42 HD2 PRO 42 -3.227 11.261 -5.869 295 HD3 PRO 42 HD1 PRO 42 -3.508 9.809 -6.850 296 H GLU 43 HN GLU 43 -4.992 11.980 -4.262 297 HA GLU 43 HA GLU 43 -4.816 13.063 -1.683 298 HB2 GLU 43 HB2 GLU 43 -6.083 14.120 -4.194 299 HB3 GLU 43 HB1 GLU 43 -5.947 15.064 -2.712 300 HG2 GLU 43 HG2 GLU 43 -3.699 13.874 -4.286 301 HG3 GLU 43 HG1 GLU 43 -4.146 15.579 -4.252 302 H SER 44 HN SER 44 -7.463 11.602 -3.386 303 HA SER 44 HA SER 44 -9.442 12.518 -1.479 304 HB2 SER 44 HB2 SER 44 -10.998 11.082 -2.774 305 HB3 SER 44 HB1 SER 44 -10.119 12.206 -3.805 306 HG SER 44 HG SER 44 -8.728 10.490 -4.383 307 H ILE 45 HN ILE 45 -7.160 10.084 -1.709 308 HA ILE 45 HA ILE 45 -8.603 8.127 -0.117 309 HB ILE 45 HB ILE 45 -5.767 8.032 -1.127 310 HG12 ILE 45 HG12 ILE 45 -7.265 8.257 -3.008 311 HG13 ILE 45 HG11 ILE 45 -6.685 6.601 -2.929 312 HG21 ILE 45 HG21 ILE 45 -6.331 6.492 0.751 313 HG22 ILE 45 HG22 ILE 45 -5.853 5.675 -0.737 314 HG23 ILE 45 HG23 ILE 45 -7.559 5.759 -0.286 315 HD11 ILE 45 HD11 ILE 45 -8.780 5.870 -1.990 316 HD12 ILE 45 HD12 ILE 45 -9.058 6.755 -3.492 317 HD13 ILE 45 HD13 ILE 45 -9.365 7.535 -1.942 318 H SER 46 HN SER 46 -8.809 9.214 1.860 319 HA SER 46 HA SER 46 -6.580 10.276 3.263 320 HB2 SER 46 HB2 SER 46 -9.118 9.323 4.543 321 HB3 SER 46 HB1 SER 46 -8.077 10.650 5.037 322 HG SER 46 HG SER 46 -8.696 11.489 2.803 323 HA PRO 47 HA PRO 47 -4.857 6.538 4.624 324 HB2 PRO 47 HB2 PRO 47 -3.061 7.467 6.322 325 HB3 PRO 47 HB1 PRO 47 -3.071 8.052 4.660 326 HG2 PRO 47 HG2 PRO 47 -4.024 9.383 7.144 327 HG3 PRO 47 HG1 PRO 47 -3.263 10.091 5.717 328 HD2 PRO 47 HD2 PRO 47 -6.039 9.939 6.300 329 HD3 PRO 47 HD1 PRO 47 -5.295 10.496 4.780 330 H ALA 48 HN ALA 48 -6.833 8.229 6.745 331 HA ALA 48 HA ALA 48 -6.461 6.205 8.807 332 HB1 ALA 48 HB1 ALA 48 -5.409 8.416 9.280 333 HB2 ALA 48 HB2 ALA 48 -6.548 7.838 10.504 334 HB3 ALA 48 HB3 ALA 48 -7.039 9.088 9.358 335 H THR 49 HN THR 49 -8.470 7.253 6.564 336 HA THR 49 HA THR 49 -10.991 7.307 7.852 337 HB THR 49 HB THR 49 -10.054 6.864 5.035 338 HG1 THR 49 HG1 THR 49 -11.329 8.930 6.474 339 HG21 THR 49 HG21 THR 49 -12.355 6.768 4.276 340 HG22 THR 49 HG22 THR 49 -12.919 6.795 5.948 341 HG23 THR 49 HG23 THR 49 -11.978 5.423 5.356 342 H ALA 50 HN ALA 50 -9.048 4.880 6.294 343 HA ALA 50 HA ALA 50 -8.829 2.624 6.787 344 HB1 ALA 50 HB1 ALA 50 -10.289 2.677 8.745 345 HB2 ALA 50 HB2 ALA 50 -10.619 1.280 7.717 346 HB3 ALA 50 HB3 ALA 50 -11.702 2.676 7.686 347 H PHE 51 HN PHE 51 -8.921 1.123 5.362 348 HA PHE 51 HA PHE 51 -9.877 1.509 2.797 349 HB2 PHE 51 HB2 PHE 51 -9.225 -1.012 4.298 350 HB3 PHE 51 HB1 PHE 51 -9.564 -0.982 2.568 351 HD1 PHE 51 HD1 PHE 51 -8.249 1.286 1.560 352 HD2 PHE 51 HD2 PHE 51 -7.023 -1.337 4.656 353 HE1 PHE 51 HE1 PHE 51 -5.911 1.851 1.099 354 HE2 PHE 51 HE2 PHE 51 -4.675 -0.782 4.217 355 HZ PHE 51 HZ PHE 51 -4.125 0.888 2.452 356 H LYS 52 HN LYS 52 -11.313 -0.392 5.412 357 HA LYS 52 HA LYS 52 -13.562 -1.346 4.161 358 HB2 LYS 52 HB2 LYS 52 -13.273 -0.236 6.964 359 HB3 LYS 52 HB1 LYS 52 -14.634 -1.208 6.414 360 HG2 LYS 52 HG2 LYS 52 -12.950 -3.017 5.881 361 HG3 LYS 52 HG1 LYS 52 -11.761 -2.026 6.720 362 HD2 LYS 52 HD2 LYS 52 -14.321 -3.062 7.938 363 HD3 LYS 52 HD1 LYS 52 -12.726 -3.777 8.155 364 HE2 LYS 52 HE2 LYS 52 -11.923 -1.770 9.203 365 HE3 LYS 52 HE1 LYS 52 -13.467 -0.966 8.929 366 HZ1 LYS 52 HZ1 LYS 52 -13.283 -1.769 11.195 367 HZ2 LYS 52 HZ2 LYS 52 -13.028 -3.348 10.650 368 HZ3 LYS 52 HZ3 LYS 52 -14.515 -2.595 10.382 369 H ASP 53 HN ASP 53 -12.938 1.760 5.649 370 HA ASP 53 HA ASP 53 -15.596 2.747 5.227 371 HB2 ASP 53 HB2 ASP 53 -13.059 4.000 6.299 372 HB3 ASP 53 HB1 ASP 53 -14.560 4.909 6.098 373 H LEU 54 HN LEU 54 -13.046 2.296 3.258 374 HA LEU 54 HA LEU 54 -13.389 4.725 1.672 375 HB2 LEU 54 HB2 LEU 54 -11.337 2.565 1.810 376 HB3 LEU 54 HB1 LEU 54 -11.462 3.516 0.350 377 HG LEU 54 HG LEU 54 -11.079 4.736 3.082 378 HD11 LEU 54 HD11 LEU 54 -9.194 3.319 2.730 379 HD12 LEU 54 HD12 LEU 54 -8.703 4.984 2.412 380 HD13 LEU 54 HD13 LEU 54 -9.015 3.885 1.068 381 HD21 LEU 54 HD21 LEU 54 -10.258 6.636 1.758 382 HD22 LEU 54 HD22 LEU 54 -11.943 6.243 1.414 383 HD23 LEU 54 HD23 LEU 54 -10.677 5.762 0.287 384 H GLY 55 HN GLY 55 -14.127 1.337 1.694 385 HA2 GLY 55 HA2 GLY 55 -16.022 0.833 0.105 386 HA3 GLY 55 HA1 GLY 55 -14.974 1.520 -1.133 387 H ILE 56 HN ILE 56 -12.848 0.171 0.785 388 HA ILE 56 HA ILE 56 -12.293 -2.056 -0.843 389 HB ILE 56 HB ILE 56 -11.344 -1.360 1.927 390 HG12 ILE 56 HG12 ILE 56 -10.254 0.160 0.636 391 HG13 ILE 56 HG11 ILE 56 -9.138 -1.180 0.517 392 HG21 ILE 56 HG21 ILE 56 -9.523 -3.053 1.324 393 HG22 ILE 56 HG22 ILE 56 -10.731 -3.692 0.208 394 HG23 ILE 56 HG23 ILE 56 -11.079 -3.610 1.939 395 HD11 ILE 56 HD11 ILE 56 -10.095 -1.802 -1.633 396 HD12 ILE 56 HD12 ILE 56 -9.460 -0.156 -1.627 397 HD13 ILE 56 HD13 ILE 56 -11.197 -0.423 -1.526 398 H ASP 57 HN ASP 57 -13.832 -3.640 -0.984 399 HA ASP 57 HA ASP 57 -13.989 -5.242 1.463 400 HB2 ASP 57 HB2 ASP 57 -16.173 -4.055 1.040 401 HB3 ASP 57 HB1 ASP 57 -16.303 -4.976 -0.457 402 H SER 58 HN SER 58 -12.773 -6.910 1.033 403 HA SER 58 HA SER 58 -11.919 -8.774 0.133 404 HB2 SER 58 HB2 SER 58 -13.586 -10.157 -1.310 405 HB3 SER 58 HB1 SER 58 -13.932 -9.886 0.399 406 HG SER 58 HG SER 58 -15.448 -8.372 -0.152 407 H LEU 59 HN LEU 59 -13.852 -7.850 -2.703 408 HA LEU 59 HA LEU 59 -11.999 -8.770 -4.579 409 HB2 LEU 59 HB2 LEU 59 -14.098 -6.626 -4.808 410 HB3 LEU 59 HB1 LEU 59 -13.165 -7.209 -6.161 411 HG LEU 59 HG LEU 59 -14.132 -9.449 -5.897 412 HD11 LEU 59 HD11 LEU 59 -16.004 -9.827 -4.394 413 HD12 LEU 59 HD12 LEU 59 -15.803 -8.208 -3.725 414 HD13 LEU 59 HD13 LEU 59 -14.539 -9.418 -3.498 415 HD21 LEU 59 HD21 LEU 59 -16.091 -7.177 -6.065 416 HD22 LEU 59 HD22 LEU 59 -16.433 -8.834 -6.568 417 HD23 LEU 59 HD23 LEU 59 -15.188 -7.897 -7.396 418 H THR 60 HN THR 60 -12.623 -5.480 -3.450 419 HA THR 60 HA THR 60 -10.448 -4.440 -5.025 420 HB THR 60 HB THR 60 -11.020 -2.322 -3.595 421 HG1 THR 60 HG1 THR 60 -13.523 -2.717 -3.306 422 HG21 THR 60 HG21 THR 60 -11.388 -2.605 -6.004 423 HG22 THR 60 HG22 THR 60 -12.730 -1.745 -5.239 424 HG23 THR 60 HG23 THR 60 -12.905 -3.448 -5.669 425 H ALA 61 HN ALA 61 -10.848 -5.808 -1.960 426 HA ALA 61 HA ALA 61 -8.515 -4.590 -0.795 427 HB1 ALA 61 HB1 ALA 61 -9.829 -7.186 0.008 428 HB2 ALA 61 HB2 ALA 61 -10.347 -5.592 0.562 429 HB3 ALA 61 HB3 ALA 61 -8.734 -6.188 0.973 430 H LEU 62 HN LEU 62 -9.280 -7.487 -2.653 431 HA LEU 62 HA LEU 62 -6.629 -8.512 -2.641 432 HB2 LEU 62 HB2 LEU 62 -8.979 -9.592 -3.253 433 HB3 LEU 62 HB1 LEU 62 -8.528 -9.041 -4.845 434 HG LEU 62 HG LEU 62 -7.570 -11.038 -5.088 435 HD11 LEU 62 HD11 LEU 62 -5.531 -10.035 -3.111 436 HD12 LEU 62 HD12 LEU 62 -5.615 -9.562 -4.807 437 HD13 LEU 62 HD13 LEU 62 -5.293 -11.243 -4.376 438 HD21 LEU 62 HD21 LEU 62 -8.705 -12.017 -3.254 439 HD22 LEU 62 HD22 LEU 62 -7.640 -11.231 -2.095 440 HD23 LEU 62 HD23 LEU 62 -7.014 -12.508 -3.137 441 H GLU 63 HN GLU 63 -8.561 -6.540 -4.954 442 HA GLU 63 HA GLU 63 -6.555 -6.324 -6.892 443 HB2 GLU 63 HB2 GLU 63 -8.651 -5.753 -7.656 444 HB3 GLU 63 HB1 GLU 63 -9.108 -4.997 -6.140 445 HG2 GLU 63 HG2 GLU 63 -9.023 -3.253 -7.635 446 HG3 GLU 63 HG1 GLU 63 -7.509 -3.185 -6.737 447 H LEU 64 HN LEU 64 -7.320 -4.456 -3.960 448 HA LEU 64 HA LEU 64 -5.359 -2.487 -4.170 449 HB2 LEU 64 HB2 LEU 64 -7.059 -3.491 -2.132 450 HB3 LEU 64 HB1 LEU 64 -5.413 -3.583 -1.512 451 HG LEU 64 HG LEU 64 -6.826 -1.105 -2.484 452 HD11 LEU 64 HD11 LEU 64 -5.730 -1.755 0.248 453 HD12 LEU 64 HD12 LEU 64 -7.414 -2.026 -0.212 454 HD13 LEU 64 HD13 LEU 64 -6.749 -0.388 -0.218 455 HD21 LEU 64 HD21 LEU 64 -4.477 -1.091 -3.141 456 HD22 LEU 64 HD22 LEU 64 -4.012 -1.479 -1.487 457 HD23 LEU 64 HD23 LEU 64 -4.778 0.070 -1.845 458 H ARG 65 HN ARG 65 -5.307 -5.709 -2.959 459 HA ARG 65 HA ARG 65 -2.669 -5.872 -2.046 460 HB2 ARG 65 HB2 ARG 65 -4.305 -7.506 -1.355 461 HB3 ARG 65 HB1 ARG 65 -4.570 -8.024 -3.017 462 HG2 ARG 65 HG2 ARG 65 -1.853 -8.300 -1.776 463 HG3 ARG 65 HG1 ARG 65 -3.121 -9.463 -1.393 464 HD2 ARG 65 HD2 ARG 65 -3.377 -10.004 -3.744 465 HD3 ARG 65 HD1 ARG 65 -2.197 -8.773 -4.182 466 HE ARG 65 HE ARG 65 -0.960 -10.534 -2.406 467 HH11 ARG 65 HH11 ARG 65 -2.324 -10.583 -5.641 468 HH12 ARG 65 HH12 ARG 65 -1.269 -11.842 -6.200 469 HH21 ARG 65 HH21 ARG 65 0.422 -12.207 -3.154 470 HH22 ARG 65 HH22 ARG 65 0.286 -12.760 -4.793 471 H ASN 66 HN ASN 66 -4.130 -6.869 -5.052 472 HA ASN 66 HA ASN 66 -1.925 -7.857 -6.384 473 HB2 ASN 66 HB2 ASN 66 -4.529 -6.661 -7.236 474 HB3 ASN 66 HB1 ASN 66 -3.343 -7.096 -8.456 475 HD21 ASN 66 HD21 ASN 66 -5.976 -8.215 -7.924 476 HD22 ASN 66 HD22 ASN 66 -5.735 -9.898 -7.613 477 H THR 67 HN THR 67 -3.034 -4.493 -6.110 478 HA THR 67 HA THR 67 -1.010 -3.543 -7.907 479 HB THR 67 HB THR 67 -2.631 -2.016 -5.886 480 HG1 THR 67 HG1 THR 67 -4.008 -2.891 -7.418 481 HG21 THR 67 HG21 THR 67 -1.012 -1.045 -8.243 482 HG22 THR 67 HG22 THR 67 -0.616 -0.798 -6.540 483 HG23 THR 67 HG23 THR 67 -2.052 -0.038 -7.234 484 H LEU 68 HN LEU 68 -1.443 -3.404 -4.390 485 HA LEU 68 HA LEU 68 0.835 -2.044 -3.657 486 HB2 LEU 68 HB2 LEU 68 -0.245 -4.450 -2.205 487 HB3 LEU 68 HB1 LEU 68 0.678 -3.136 -1.516 488 HG LEU 68 HG LEU 68 -2.018 -2.688 -2.742 489 HD11 LEU 68 HD11 LEU 68 -3.034 -3.081 -0.655 490 HD12 LEU 68 HD12 LEU 68 -1.481 -3.223 0.164 491 HD13 LEU 68 HD13 LEU 68 -2.005 -4.476 -0.957 492 HD21 LEU 68 HD21 LEU 68 -0.428 -1.200 -0.652 493 HD22 LEU 68 HD22 LEU 68 -2.006 -0.735 -1.287 494 HD23 LEU 68 HD23 LEU 68 -0.595 -0.729 -2.344 495 H THR 69 HN THR 69 0.484 -5.579 -3.692 496 HA THR 69 HA THR 69 3.132 -6.104 -2.976 497 HB THR 69 HB THR 69 0.977 -7.596 -2.934 498 HG1 THR 69 HG1 THR 69 3.482 -8.785 -3.602 499 HG21 THR 69 HG21 THR 69 0.929 -9.284 -4.717 500 HG22 THR 69 HG22 THR 69 2.178 -8.391 -5.586 501 HG23 THR 69 HG23 THR 69 0.590 -7.666 -5.336 502 H HIS 70 HN HIS 70 1.687 -5.358 -6.018 503 HA HIS 70 HA HIS 70 3.795 -6.348 -7.668 504 HB2 HIS 70 HB2 HIS 70 1.477 -6.002 -8.489 505 HB3 HIS 70 HB1 HIS 70 1.656 -4.278 -8.230 506 HD1 HIS 70 HD1 HIS 70 2.240 -6.917 -10.699 507 HD2 HIS 70 HD2 HIS 70 3.501 -3.018 -10.037 508 HE1 HIS 70 HE1 HIS 70 3.207 -6.144 -12.887 509 HE2 HIS 70 HE2 HIS 70 3.770 -3.717 -12.514 510 H ASN 71 HN ASN 71 2.931 -3.218 -6.285 511 HA ASN 71 HA ASN 71 5.068 -1.822 -7.601 512 HB2 ASN 71 HB2 ASN 71 3.055 -1.026 -5.541 513 HB3 ASN 71 HB1 ASN 71 4.345 0.057 -6.058 514 HD21 ASN 71 HD21 ASN 71 1.464 -1.611 -7.000 515 HD22 ASN 71 HD22 ASN 71 1.167 -0.700 -8.434 516 H THR 72 HN THR 72 4.773 -3.584 -4.696 517 HA THR 72 HA THR 72 7.154 -2.287 -3.588 518 HB THR 72 HB THR 72 6.401 -3.256 -1.429 519 HG1 THR 72 HG1 THR 72 3.932 -3.803 -2.714 520 HG21 THR 72 HG21 THR 72 4.913 -1.519 -1.020 521 HG22 THR 72 HG22 THR 72 4.079 -1.741 -2.555 522 HG23 THR 72 HG23 THR 72 5.659 -0.958 -2.520 523 H GLY 73 HN GLY 73 6.037 -5.080 -5.104 524 HA2 GLY 73 HA2 GLY 73 7.511 -6.662 -6.002 525 HA3 GLY 73 HA1 GLY 73 8.754 -6.011 -4.954 526 H LEU 74 HN LEU 74 6.035 -6.535 -3.244 527 HA LEU 74 HA LEU 74 7.324 -8.606 -1.761 528 HB2 LEU 74 HB2 LEU 74 5.717 -6.476 -1.188 529 HB3 LEU 74 HB1 LEU 74 4.613 -7.816 -1.001 530 HG LEU 74 HG LEU 74 6.331 -8.875 0.516 531 HD11 LEU 74 HD11 LEU 74 8.180 -7.449 -0.401 532 HD12 LEU 74 HD12 LEU 74 8.094 -7.527 1.364 533 HD13 LEU 74 HD13 LEU 74 7.499 -6.101 0.514 534 HD21 LEU 74 HD21 LEU 74 5.428 -6.209 1.538 535 HD22 LEU 74 HD22 LEU 74 5.531 -7.751 2.388 536 HD23 LEU 74 HD23 LEU 74 4.275 -7.491 1.181 537 H ASP 75 HN ASP 75 5.924 -10.319 -0.811 538 HA ASP 75 HA ASP 75 4.244 -11.579 -2.868 539 HB2 ASP 75 HB2 ASP 75 6.484 -12.565 -2.899 540 HB3 ASP 75 HB1 ASP 75 6.362 -12.871 -1.177 541 H LEU 76 HN LEU 76 2.840 -10.313 -1.239 542 HA LEU 76 HA LEU 76 2.138 -12.082 1.005 543 HB2 LEU 76 HB2 LEU 76 2.231 -9.140 0.733 544 HB3 LEU 76 HB1 LEU 76 0.860 -9.781 1.615 545 HG LEU 76 HG LEU 76 2.734 -9.126 3.088 546 HD11 LEU 76 HD11 LEU 76 1.131 -10.887 3.739 547 HD12 LEU 76 HD12 LEU 76 2.725 -11.097 4.461 548 HD13 LEU 76 HD13 LEU 76 2.242 -12.098 3.093 549 HD21 LEU 76 HD21 LEU 76 4.761 -10.486 3.147 550 HD22 LEU 76 HD22 LEU 76 4.588 -9.660 1.598 551 HD23 LEU 76 HD23 LEU 76 4.210 -11.377 1.728 552 HA PRO 77 HA PRO 77 -1.629 -12.836 -1.231 553 HB2 PRO 77 HB2 PRO 77 -2.842 -14.331 0.668 554 HB3 PRO 77 HB1 PRO 77 -1.486 -14.942 -0.284 555 HG2 PRO 77 HG2 PRO 77 -1.508 -13.831 2.491 556 HG3 PRO 77 HG1 PRO 77 -0.655 -15.252 1.862 557 HD2 PRO 77 HD2 PRO 77 0.542 -12.839 2.245 558 HD3 PRO 77 HD1 PRO 77 1.061 -13.995 1.003 559 HA PRO 78 HA PRO 78 -5.146 -10.314 0.212 560 HB2 PRO 78 HB2 PRO 78 -6.860 -12.372 1.145 561 HB3 PRO 78 HB1 PRO 78 -6.909 -11.563 -0.418 562 HG2 PRO 78 HG2 PRO 78 -5.692 -14.162 0.329 563 HG3 PRO 78 HG1 PRO 78 -6.418 -13.659 -1.207 564 HD2 PRO 78 HD2 PRO 78 -3.777 -13.892 -0.950 565 HD3 PRO 78 HD1 PRO 78 -4.485 -12.566 -1.897 566 H THR 79 HN THR 79 -6.928 -10.520 2.238 567 HA THR 79 HA THR 79 -7.191 -9.932 4.343 568 HB THR 79 HB THR 79 -6.195 -11.350 6.132 569 HG1 THR 79 HG1 THR 79 -4.562 -12.118 4.107 570 HG21 THR 79 HG21 THR 79 -7.447 -13.368 5.504 571 HG22 THR 79 HG22 THR 79 -7.537 -12.783 3.843 572 HG23 THR 79 HG23 THR 79 -8.340 -11.892 5.136 573 H LEU 80 HN LEU 80 -4.734 -8.915 2.790 574 HA LEU 80 HA LEU 80 -2.999 -7.924 4.830 575 HB2 LEU 80 HB2 LEU 80 -2.967 -8.031 2.068 576 HB3 LEU 80 HB1 LEU 80 -3.216 -6.326 2.385 577 HG LEU 80 HG LEU 80 -0.853 -6.809 2.095 578 HD11 LEU 80 HD11 LEU 80 -1.431 -5.017 3.616 579 HD12 LEU 80 HD12 LEU 80 0.008 -5.860 4.183 580 HD13 LEU 80 HD13 LEU 80 -1.549 -6.160 4.952 581 HD21 LEU 80 HD21 LEU 80 -0.893 -9.152 2.803 582 HD22 LEU 80 HD22 LEU 80 -1.145 -8.640 4.472 583 HD23 LEU 80 HD23 LEU 80 0.359 -8.236 3.644 584 H ILE 81 HN ILE 81 -5.844 -6.719 3.154 585 HA ILE 81 HA ILE 81 -5.862 -4.146 4.395 586 HB ILE 81 HB ILE 81 -8.247 -5.646 3.287 587 HG12 ILE 81 HG12 ILE 81 -6.663 -5.577 1.526 588 HG13 ILE 81 HG11 ILE 81 -7.764 -4.245 1.243 589 HG21 ILE 81 HG21 ILE 81 -7.809 -2.687 3.333 590 HG22 ILE 81 HG22 ILE 81 -8.608 -3.539 4.661 591 HG23 ILE 81 HG23 ILE 81 -9.305 -3.573 3.039 592 HD11 ILE 81 HD11 ILE 81 -5.081 -4.016 2.557 593 HD12 ILE 81 HD12 ILE 81 -6.179 -2.697 2.150 594 HD13 ILE 81 HD13 ILE 81 -5.433 -3.653 0.867 595 H PHE 82 HN PHE 82 -7.115 -7.271 5.196 596 HA PHE 82 HA PHE 82 -8.672 -6.520 7.419 597 HB2 PHE 82 HB2 PHE 82 -7.374 -9.144 6.665 598 HB3 PHE 82 HB1 PHE 82 -8.549 -8.949 7.955 599 HD1 PHE 82 HD1 PHE 82 -10.765 -9.450 7.469 600 HD2 PHE 82 HD2 PHE 82 -8.180 -8.142 4.346 601 HE1 PHE 82 HE1 PHE 82 -12.576 -9.765 5.840 602 HE2 PHE 82 HE2 PHE 82 -9.987 -8.462 2.717 603 HZ PHE 82 HZ PHE 82 -12.235 -9.302 3.515 604 H ASP 83 HN ASP 83 -5.290 -7.314 6.976 605 HA ASP 83 HA ASP 83 -4.737 -7.344 9.819 606 HB2 ASP 83 HB2 ASP 83 -3.518 -8.770 8.113 607 HB3 ASP 83 HB1 ASP 83 -2.745 -7.296 7.549 608 H HIS 84 HN HIS 84 -4.484 -5.182 7.106 609 HA HIS 84 HA HIS 84 -3.687 -2.997 8.910 610 HB2 HIS 84 HB2 HIS 84 -2.626 -3.607 6.157 611 HB3 HIS 84 HB1 HIS 84 -2.416 -2.048 6.927 612 HD1 HIS 84 HD1 HIS 84 -0.704 -1.938 8.899 613 HD2 HIS 84 HD2 HIS 84 -1.089 -5.687 7.153 614 HE1 HIS 84 HE1 HIS 84 1.232 -3.279 9.764 615 HE2 HIS 84 HE2 HIS 84 0.843 -5.602 8.874 616 HA PRO 85 HA PRO 85 -7.535 -2.131 6.771 617 HB2 PRO 85 HB2 PRO 85 -8.846 -0.954 8.765 618 HB3 PRO 85 HB1 PRO 85 -8.471 -2.682 8.817 619 HG2 PRO 85 HG2 PRO 85 -7.097 -0.401 10.182 620 HG3 PRO 85 HG1 PRO 85 -7.495 -2.008 10.817 621 HD2 PRO 85 HD2 PRO 85 -5.017 -1.252 9.823 622 HD3 PRO 85 HD1 PRO 85 -5.586 -2.925 9.972 623 H THR 86 HN THR 86 -5.142 0.153 7.403 624 HA THR 86 HA THR 86 -6.857 2.182 6.168 625 HB THR 86 HB THR 86 -5.752 3.957 7.398 626 HG1 THR 86 HG1 THR 86 -4.408 3.235 9.255 627 HG21 THR 86 HG21 THR 86 -7.770 3.071 8.404 628 HG22 THR 86 HG22 THR 86 -6.621 3.509 9.666 629 HG23 THR 86 HG23 THR 86 -6.842 1.816 9.224 630 HA PRO 87 HA PRO 87 -3.687 2.625 3.053 631 HB2 PRO 87 HB2 PRO 87 -3.841 5.550 3.490 632 HB3 PRO 87 HB1 PRO 87 -3.969 4.626 1.994 633 HG2 PRO 87 HG2 PRO 87 -6.142 5.665 3.145 634 HG3 PRO 87 HG1 PRO 87 -6.185 4.083 2.347 635 HD2 PRO 87 HD2 PRO 87 -6.150 4.738 5.260 636 HD3 PRO 87 HD1 PRO 87 -6.967 3.414 4.405 637 H HIS 88 HN HIS 88 -3.447 4.598 5.946 638 HA HIS 88 HA HIS 88 -0.648 4.921 6.005 639 HB2 HIS 88 HB2 HIS 88 -2.303 6.119 7.458 640 HB3 HIS 88 HB1 HIS 88 -2.542 4.627 8.349 641 HD1 HIS 88 HD1 HIS 88 0.371 6.919 7.464 642 HD2 HIS 88 HD2 HIS 88 -0.992 4.476 10.542 643 HE1 HIS 88 HE1 HIS 88 2.040 7.185 9.328 644 HE2 HIS 88 HE2 HIS 88 1.234 5.647 11.156 645 H ALA 89 HN ALA 89 -2.752 2.492 7.519 646 HA ALA 89 HA ALA 89 -0.817 0.899 8.706 647 HB1 ALA 89 HB1 ALA 89 -3.461 0.073 7.534 648 HB2 ALA 89 HB2 ALA 89 -3.178 0.671 9.173 649 HB3 ALA 89 HB3 ALA 89 -2.495 -0.877 8.667 650 H LEU 90 HN LEU 90 -2.393 0.273 5.533 651 HA LEU 90 HA LEU 90 -0.889 -1.895 4.756 652 HB2 LEU 90 HB2 LEU 90 -2.685 -0.109 3.552 653 HB3 LEU 90 HB1 LEU 90 -1.268 -0.105 2.546 654 HG LEU 90 HG LEU 90 -1.429 -2.450 2.138 655 HD11 LEU 90 HD11 LEU 90 -3.201 -3.818 3.083 656 HD12 LEU 90 HD12 LEU 90 -3.769 -2.448 4.036 657 HD13 LEU 90 HD13 LEU 90 -2.183 -3.150 4.355 658 HD21 LEU 90 HD21 LEU 90 -4.109 -1.097 1.921 659 HD22 LEU 90 HD22 LEU 90 -3.622 -2.544 1.046 660 HD23 LEU 90 HD23 LEU 90 -2.794 -1.015 0.748 661 H THR 91 HN THR 91 -0.200 1.513 4.350 662 HA THR 91 HA THR 91 2.150 1.286 2.913 663 HB THR 91 HB THR 91 1.117 3.372 4.826 664 HG1 THR 91 HG1 THR 91 0.039 3.560 2.975 665 HG21 THR 91 HG21 THR 91 3.746 3.341 3.393 666 HG22 THR 91 HG22 THR 91 3.401 3.754 5.071 667 HG23 THR 91 HG23 THR 91 2.930 4.856 3.776 668 H GLN 92 HN GLN 92 1.582 1.425 6.394 669 HA GLN 92 HA GLN 92 4.196 1.328 7.319 670 HB2 GLN 92 HB2 GLN 92 1.691 0.119 8.502 671 HB3 GLN 92 HB1 GLN 92 3.192 0.336 9.382 672 HG2 GLN 92 HG2 GLN 92 2.950 2.818 8.806 673 HG3 GLN 92 HG1 GLN 92 1.298 2.410 8.360 674 HE21 GLN 92 HE21 GLN 92 3.563 2.727 10.961 675 HE22 GLN 92 HE22 GLN 92 2.412 2.622 12.247 676 H HIS 93 HN HIS 93 2.050 -1.282 6.335 677 HA HIS 93 HA HIS 93 3.623 -3.473 7.085 678 HB2 HIS 93 HB2 HIS 93 1.358 -3.845 6.406 679 HB3 HIS 93 HB1 HIS 93 1.626 -3.080 4.848 680 HD1 HIS 93 HD1 HIS 93 2.505 -6.265 6.719 681 HD2 HIS 93 HD2 HIS 93 2.371 -4.763 2.836 682 HE1 HIS 93 HE1 HIS 93 2.914 -8.236 5.218 683 HE2 HIS 93 HE2 HIS 93 2.654 -7.337 2.882 684 H LEU 94 HN LEU 94 3.513 -1.764 3.938 685 HA LEU 94 HA LEU 94 5.595 -3.425 2.857 686 HB2 LEU 94 HB2 LEU 94 4.364 -0.866 1.829 687 HB3 LEU 94 HB1 LEU 94 5.396 -1.944 0.907 688 HG LEU 94 HG LEU 94 2.807 -2.872 2.123 689 HD11 LEU 94 HD11 LEU 94 1.634 -2.401 0.181 690 HD12 LEU 94 HD12 LEU 94 3.094 -2.019 -0.733 691 HD13 LEU 94 HD13 LEU 94 2.526 -0.923 0.538 692 HD21 LEU 94 HD21 LEU 94 4.430 -3.913 -0.213 693 HD22 LEU 94 HD22 LEU 94 2.971 -4.640 0.470 694 HD23 LEU 94 HD23 LEU 94 4.451 -4.579 1.423 695 H HIS 95 HN HIS 95 5.516 -0.433 4.615 696 HA HIS 95 HA HIS 95 8.156 0.424 3.775 697 HB2 HIS 95 HB2 HIS 95 6.364 2.019 4.588 698 HB3 HIS 95 HB1 HIS 95 6.566 1.333 6.193 699 HD1 HIS 95 HD1 HIS 95 8.728 1.923 7.481 700 HD2 HIS 95 HD2 HIS 95 8.404 3.782 3.774 701 HE1 HIS 95 HE1 HIS 95 10.506 3.694 7.459 702 HE2 HIS 95 HE2 HIS 95 10.428 4.646 5.134 703 H THR 96 HN THR 96 6.752 -1.679 6.109 704 HA THR 96 HA THR 96 9.098 -1.776 7.781 705 HB THR 96 HB THR 96 6.323 -2.881 7.807 706 HG1 THR 96 HG1 THR 96 6.160 -1.657 9.539 707 HG21 THR 96 HG21 THR 96 6.834 -4.342 9.670 708 HG22 THR 96 HG22 THR 96 8.556 -3.983 9.493 709 HG23 THR 96 HG23 THR 96 7.689 -4.823 8.205 710 H ARG 97 HN ARG 97 7.359 -3.678 5.370 711 HA ARG 97 HA ARG 97 8.888 -6.012 5.517 712 HB2 ARG 97 HB2 ARG 97 7.147 -4.804 3.427 713 HB3 ARG 97 HB1 ARG 97 8.077 -6.242 3.056 714 HG2 ARG 97 HG2 ARG 97 6.247 -5.983 5.394 715 HG3 ARG 97 HG1 ARG 97 5.744 -6.634 3.831 716 HD2 ARG 97 HD2 ARG 97 7.818 -7.724 5.726 717 HD3 ARG 97 HD1 ARG 97 6.309 -8.470 5.209 718 HE ARG 97 HE ARG 97 8.439 -7.960 3.256 719 HH11 ARG 97 HH11 ARG 97 6.376 -10.216 4.965 720 HH12 ARG 97 HH12 ARG 97 6.840 -11.570 3.986 721 HH21 ARG 97 HH21 ARG 97 9.061 -9.725 1.982 722 HH22 ARG 97 HH22 ARG 97 8.369 -11.289 2.277 723 H LEU 98 HN LEU 98 9.610 -2.984 4.149 724 HA LEU 98 HA LEU 98 11.552 -3.599 2.291 725 HB2 LEU 98 HB2 LEU 98 11.005 -1.319 4.022 726 HB3 LEU 98 HB1 LEU 98 12.658 -1.431 3.478 727 HG LEU 98 HG LEU 98 12.035 -0.376 1.617 728 HD11 LEU 98 HD11 LEU 98 12.070 -2.663 0.715 729 HD12 LEU 98 HD12 LEU 98 10.933 -1.621 -0.136 730 HD13 LEU 98 HD13 LEU 98 10.337 -2.799 1.034 731 HD21 LEU 98 HD21 LEU 98 9.196 -0.993 2.345 732 HD22 LEU 98 HD22 LEU 98 9.722 0.113 1.073 733 HD23 LEU 98 HD23 LEU 98 10.090 0.470 2.763 734 H THR 99 HN THR 99 11.632 -4.310 5.592 735 HA THR 99 HA THR 99 14.497 -4.903 5.394 736 HB THR 99 HB THR 99 14.481 -3.095 6.839 737 HG1 THR 99 HG1 THR 99 15.397 -5.179 7.719 738 HG21 THR 99 HG21 THR 99 12.104 -4.235 8.268 739 HG22 THR 99 HG22 THR 99 12.094 -2.863 7.151 740 HG23 THR 99 HG23 THR 99 12.952 -2.748 8.694 741 H GLN 100 HN GLN 100 11.562 -5.660 7.236 742 HA GLN 100 HA GLN 100 12.654 -8.232 7.978 743 HB2 GLN 100 HB2 GLN 100 10.469 -8.414 9.242 744 HB3 GLN 100 HB1 GLN 100 11.497 -7.077 9.710 745 HG2 GLN 100 HG2 GLN 100 9.491 -6.062 9.634 746 HG3 GLN 100 HG1 GLN 100 10.067 -5.757 7.993 747 HE21 GLN 100 HE21 GLN 100 8.905 -8.884 9.106 748 HE22 GLN 100 HE22 GLN 100 7.459 -8.891 8.165 749 H SER 101 HN SER 101 11.992 -10.197 7.213 750 HA SER 101 HA SER 101 9.722 -10.487 5.515 751 HB2 SER 101 HB2 SER 101 11.050 -11.093 3.470 752 HB3 SER 101 HB1 SER 101 11.088 -9.384 3.899 753 HG SER 101 HG SER 101 13.168 -9.660 3.754 754 H HIS 102 HN HIS 102 9.756 -12.665 4.421 755 HA HIS 102 HA HIS 102 11.403 -14.731 5.354 756 HB2 HIS 102 HB2 HIS 102 9.732 -15.939 6.780 757 HB3 HIS 102 HB1 HIS 102 10.399 -14.503 7.513 758 HD1 HIS 102 HD1 HIS 102 7.346 -16.146 7.403 759 HD2 HIS 102 HD2 HIS 102 8.462 -12.209 6.741 760 HE1 HIS 102 HE1 HIS 102 5.257 -14.789 7.756 761 HE2 HIS 102 HE2 HIS 102 6.013 -12.393 7.566 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 9.479 -3.881 -16.106 2 H2 GLY 1 HT2 GLY 1 7.827 -3.949 -16.462 3 H3 GLY 1 HT3 GLY 1 8.956 -4.502 -17.588 4 HA2 GLY 1 HA1 GLY 1 7.855 -6.336 -16.441 5 HA3 GLY 1 HA2 GLY 1 9.593 -6.311 -16.176 6 H ALA 2 HN ALA 2 8.497 -7.725 -14.354 7 HA ALA 2 HA ALA 2 8.551 -6.054 -11.974 8 HB1 ALA 2 HB1 ALA 2 6.512 -6.994 -11.045 9 HB2 ALA 2 HB2 ALA 2 6.250 -7.926 -12.519 10 HB3 ALA 2 HB3 ALA 2 6.173 -6.165 -12.564 11 H ALA 3 HN ALA 3 10.597 -7.559 -12.627 12 HA ALA 3 HA ALA 3 10.479 -10.217 -11.559 13 HB1 ALA 3 HB1 ALA 3 12.860 -8.446 -12.117 14 HB2 ALA 3 HB2 ALA 3 12.144 -9.605 -13.237 15 HB3 ALA 3 HB3 ALA 3 12.922 -10.171 -11.759 16 H SER 4 HN SER 4 10.866 -7.066 -10.343 17 HA SER 4 HA SER 4 10.503 -7.707 -7.678 18 HB2 SER 4 HB2 SER 4 12.829 -8.609 -7.789 19 HB3 SER 4 HB1 SER 4 13.387 -7.002 -8.252 20 HG SER 4 HG SER 4 13.233 -7.826 -5.857 21 H ALA 5 HN ALA 5 9.093 -5.994 -7.822 22 HA ALA 5 HA ALA 5 10.166 -3.364 -8.426 23 HB1 ALA 5 HB1 ALA 5 7.882 -3.877 -9.104 24 HB2 ALA 5 HB2 ALA 5 7.912 -2.543 -7.953 25 HB3 ALA 5 HB3 ALA 5 7.434 -4.154 -7.423 26 H ALA 6 HN ALA 6 10.578 -5.344 -5.967 27 HA ALA 6 HA ALA 6 10.140 -3.555 -3.739 28 HB1 ALA 6 HB1 ALA 6 9.910 -5.943 -3.418 29 HB2 ALA 6 HB2 ALA 6 11.266 -5.348 -2.454 30 HB3 ALA 6 HB3 ALA 6 11.568 -6.207 -3.969 31 H THR 7 HN THR 7 12.534 -4.240 -6.043 32 HA THR 7 HA THR 7 14.555 -2.757 -4.534 33 HB THR 7 HB THR 7 15.365 -4.845 -5.467 34 HG1 THR 7 HG1 THR 7 16.889 -3.196 -5.424 35 HG21 THR 7 HG21 THR 7 13.820 -5.061 -7.355 36 HG22 THR 7 HG22 THR 7 15.497 -5.223 -7.880 37 HG23 THR 7 HG23 THR 7 14.627 -3.717 -8.167 38 H ASP 8 HN ASP 8 12.035 -2.254 -6.568 39 HA ASP 8 HA ASP 8 13.224 0.064 -7.876 40 HB2 ASP 8 HB2 ASP 8 10.919 -1.671 -8.386 41 HB3 ASP 8 HB1 ASP 8 10.597 0.050 -8.564 42 H LEU 9 HN LEU 9 10.862 -1.055 -5.605 43 HA LEU 9 HA LEU 9 9.619 1.418 -5.084 44 HB2 LEU 9 HB2 LEU 9 8.496 -0.552 -4.369 45 HB3 LEU 9 HB1 LEU 9 9.888 -1.106 -3.469 46 HG LEU 9 HG LEU 9 9.615 0.912 -1.995 47 HD11 LEU 9 HD11 LEU 9 8.245 2.219 -3.555 48 HD12 LEU 9 HD12 LEU 9 7.468 2.026 -1.975 49 HD13 LEU 9 HD13 LEU 9 6.924 1.053 -3.344 50 HD21 LEU 9 HD21 LEU 9 7.996 -0.157 -0.620 51 HD22 LEU 9 HD22 LEU 9 8.938 -1.401 -1.445 52 HD23 LEU 9 HD23 LEU 9 7.314 -1.013 -1.999 53 H ALA 10 HN ALA 10 11.884 -0.516 -3.251 54 HA ALA 10 HA ALA 10 12.714 1.465 -1.425 55 HB1 ALA 10 HB1 ALA 10 14.625 0.017 -0.985 56 HB2 ALA 10 HB2 ALA 10 14.296 -0.894 -2.460 57 HB3 ALA 10 HB3 ALA 10 13.145 -0.934 -1.123 58 H ALA 11 HN ALA 11 13.073 1.499 -4.699 59 HA ALA 11 HA ALA 11 15.603 2.899 -4.749 60 HB1 ALA 11 HB1 ALA 11 15.167 1.412 -6.569 61 HB2 ALA 11 HB2 ALA 11 15.161 3.072 -7.169 62 HB3 ALA 11 HB3 ALA 11 13.633 2.221 -6.905 63 H ARG 12 HN ARG 12 12.081 3.563 -5.106 64 HA ARG 12 HA ARG 12 12.335 6.343 -5.458 65 HB2 ARG 12 HB2 ARG 12 10.254 4.515 -4.349 66 HB3 ARG 12 HB1 ARG 12 10.028 6.246 -4.235 67 HG2 ARG 12 HG2 ARG 12 8.849 5.670 -6.115 68 HG3 ARG 12 HG1 ARG 12 10.399 6.187 -6.781 69 HD2 ARG 12 HD2 ARG 12 11.096 3.989 -7.154 70 HD3 ARG 12 HD1 ARG 12 9.848 3.347 -6.086 71 HE ARG 12 HE ARG 12 8.998 4.727 -8.522 72 HH11 ARG 12 HH11 ARG 12 9.471 1.680 -6.862 73 HH12 ARG 12 HH12 ARG 12 8.440 0.793 -7.936 74 HH21 ARG 12 HH21 ARG 12 7.636 3.554 -9.925 75 HH22 ARG 12 HH22 ARG 12 7.392 1.855 -9.666 76 H LEU 13 HN LEU 13 12.439 4.183 -2.783 77 HA LEU 13 HA LEU 13 12.150 6.169 -0.723 78 HB2 LEU 13 HB2 LEU 13 12.640 3.230 -0.832 79 HB3 LEU 13 HB1 LEU 13 12.859 4.082 0.679 80 HG LEU 13 HG LEU 13 10.549 4.632 0.814 81 HD11 LEU 13 HD11 LEU 13 8.966 3.929 -0.994 82 HD12 LEU 13 HD12 LEU 13 10.393 3.779 -2.039 83 HD13 LEU 13 HD13 LEU 13 9.976 5.338 -1.315 84 HD21 LEU 13 HD21 LEU 13 11.106 2.325 1.402 85 HD22 LEU 13 HD22 LEU 13 10.716 1.833 -0.247 86 HD23 LEU 13 HD23 LEU 13 9.458 2.490 0.799 87 H ASN 14 HN ASN 14 14.645 4.303 -2.215 88 HA ASN 14 HA ASN 14 16.902 4.712 -0.833 89 HB2 ASN 14 HB2 ASN 14 16.217 3.899 -3.315 90 HB3 ASN 14 HB1 ASN 14 17.118 5.364 -3.695 91 HD21 ASN 14 HD21 ASN 14 17.242 2.132 -2.596 92 HD22 ASN 14 HD22 ASN 14 18.961 1.990 -2.519 93 H GLY 15 HN GLY 15 17.873 6.402 0.022 94 HA2 GLY 15 HA2 GLY 15 19.018 8.456 -0.092 95 HA3 GLY 15 HA1 GLY 15 18.041 8.900 -1.484 96 H LEU 16 HN LEU 16 15.746 7.800 0.365 97 HA LEU 16 HA LEU 16 15.154 10.475 1.379 98 HB2 LEU 16 HB2 LEU 16 13.496 8.138 0.552 99 HB3 LEU 16 HB1 LEU 16 12.819 9.303 1.664 100 HG LEU 16 HG LEU 16 12.088 9.872 -0.529 101 HD11 LEU 16 HD11 LEU 16 14.343 11.738 0.116 102 HD12 LEU 16 HD12 LEU 16 12.841 11.666 1.034 103 HD13 LEU 16 HD13 LEU 16 12.811 12.117 -0.673 104 HD21 LEU 16 HD21 LEU 16 13.763 8.688 -1.831 105 HD22 LEU 16 HD22 LEU 16 14.992 9.853 -1.336 106 HD23 LEU 16 HD23 LEU 16 13.646 10.368 -2.353 107 H SER 17 HN SER 17 14.008 10.689 3.380 108 HA SER 17 HA SER 17 15.123 9.074 5.511 109 HB2 SER 17 HB2 SER 17 13.197 11.409 5.561 110 HB3 SER 17 HB1 SER 17 14.026 10.730 6.956 111 HG SER 17 HG SER 17 15.642 11.474 4.830 112 HA PRO 18 HA PRO 18 12.008 6.161 6.336 113 HB2 PRO 18 HB2 PRO 18 11.419 7.616 8.888 114 HB3 PRO 18 HB1 PRO 18 11.674 5.886 8.614 115 HG2 PRO 18 HG2 PRO 18 13.647 7.315 9.616 116 HG3 PRO 18 HG1 PRO 18 13.991 6.153 8.319 117 HD2 PRO 18 HD2 PRO 18 13.766 9.122 8.178 118 HD3 PRO 18 HD1 PRO 18 14.894 8.031 7.347 119 H GLN 19 HN GLN 19 10.823 9.343 7.452 120 HA GLN 19 HA GLN 19 8.083 8.734 6.953 121 HB2 GLN 19 HB2 GLN 19 8.845 10.508 8.520 122 HB3 GLN 19 HB1 GLN 19 9.344 11.463 7.130 123 HG2 GLN 19 HG2 GLN 19 6.958 11.212 6.315 124 HG3 GLN 19 HG1 GLN 19 6.580 10.664 7.944 125 HE21 GLN 19 HE21 GLN 19 6.699 12.113 9.657 126 HE22 GLN 19 HE22 GLN 19 6.756 13.825 9.410 127 H GLN 20 HN GLN 20 10.633 10.092 4.965 128 HA GLN 20 HA GLN 20 8.936 11.036 2.854 129 HB2 GLN 20 HB2 GLN 20 11.868 10.340 3.018 130 HB3 GLN 20 HB1 GLN 20 11.112 10.840 1.513 131 HG2 GLN 20 HG2 GLN 20 11.172 12.495 4.016 132 HG3 GLN 20 HG1 GLN 20 12.304 12.653 2.683 133 HE21 GLN 20 HE21 GLN 20 10.481 14.632 3.728 134 HE22 GLN 20 HE22 GLN 20 9.447 15.083 2.417 135 H GLN 21 HN GLN 21 10.949 8.199 3.386 136 HA GLN 21 HA GLN 21 10.289 6.692 1.135 137 HB2 GLN 21 HB2 GLN 21 11.008 5.881 3.963 138 HB3 GLN 21 HB1 GLN 21 10.892 4.735 2.637 139 HG2 GLN 21 HG2 GLN 21 12.647 5.911 1.449 140 HG3 GLN 21 HG1 GLN 21 12.765 7.093 2.751 141 HE21 GLN 21 HE21 GLN 21 12.395 5.037 4.825 142 HE22 GLN 21 HE22 GLN 21 13.889 4.179 4.907 143 H GLN 22 HN GLN 22 8.619 7.242 4.129 144 HA GLN 22 HA GLN 22 6.599 5.294 3.819 145 HB2 GLN 22 HB2 GLN 22 7.197 6.539 5.924 146 HB3 GLN 22 HB1 GLN 22 6.383 7.918 5.239 147 HG2 GLN 22 HG2 GLN 22 4.387 6.282 5.020 148 HG3 GLN 22 HG1 GLN 22 5.305 5.376 6.213 149 HE21 GLN 22 HE21 GLN 22 5.247 8.866 6.067 150 HE22 GLN 22 HE22 GLN 22 4.378 9.098 7.540 151 H GLN 23 HN GLN 23 6.748 8.756 3.108 152 HA GLN 23 HA GLN 23 4.268 9.276 2.137 153 HB2 GLN 23 HB2 GLN 23 6.889 10.266 1.175 154 HB3 GLN 23 HB1 GLN 23 5.354 10.979 0.710 155 HG2 GLN 23 HG2 GLN 23 4.875 11.573 2.969 156 HG3 GLN 23 HG1 GLN 23 6.278 10.703 3.549 157 HE21 GLN 23 HE21 GLN 23 6.321 12.634 0.652 158 HE22 GLN 23 HE22 GLN 23 7.328 13.897 1.269 159 H THR 24 HN THR 24 6.945 7.898 0.267 160 HA THR 24 HA THR 24 5.724 7.926 -2.246 161 HB THR 24 HB THR 24 7.832 6.246 -0.958 162 HG1 THR 24 HG1 THR 24 8.140 7.731 -3.325 163 HG21 THR 24 HG21 THR 24 6.913 5.917 -3.818 164 HG22 THR 24 HG22 THR 24 6.568 4.775 -2.521 165 HG23 THR 24 HG23 THR 24 8.238 5.060 -3.024 166 H LEU 25 HN LEU 25 5.643 5.427 0.293 167 HA LEU 25 HA LEU 25 3.818 3.736 -1.182 168 HB2 LEU 25 HB2 LEU 25 4.444 3.872 1.751 169 HB3 LEU 25 HB1 LEU 25 3.551 2.588 0.972 170 HG LEU 25 HG LEU 25 6.341 3.168 0.089 171 HD11 LEU 25 HD11 LEU 25 7.228 1.790 1.837 172 HD12 LEU 25 HD12 LEU 25 5.613 1.469 2.470 173 HD13 LEU 25 HD13 LEU 25 6.295 3.096 2.577 174 HD21 LEU 25 HD21 LEU 25 6.304 0.753 -0.323 175 HD22 LEU 25 HD22 LEU 25 4.978 1.567 -1.152 176 HD23 LEU 25 HD23 LEU 25 4.670 0.666 0.333 177 H ALA 26 HN ALA 26 3.692 6.136 1.343 178 HA ALA 26 HA ALA 26 0.907 6.009 1.838 179 HB1 ALA 26 HB1 ALA 26 2.846 8.272 2.339 180 HB2 ALA 26 HB2 ALA 26 2.636 6.878 3.396 181 HB3 ALA 26 HB3 ALA 26 1.300 8.013 3.154 182 H THR 27 HN THR 27 2.287 6.714 -0.900 183 HA THR 27 HA THR 27 0.233 8.630 -1.722 184 HB THR 27 HB THR 27 3.118 8.346 -2.528 185 HG1 THR 27 HG1 THR 27 2.621 9.907 -0.973 186 HG21 THR 27 HG21 THR 27 2.747 9.757 -4.472 187 HG22 THR 27 HG22 THR 27 1.007 9.723 -4.180 188 HG23 THR 27 HG23 THR 27 1.861 8.235 -4.608 189 H LEU 28 HN LEU 28 2.346 5.999 -2.654 190 HA LEU 28 HA LEU 28 1.041 5.255 -5.005 191 HB2 LEU 28 HB2 LEU 28 3.221 4.560 -4.929 192 HB3 LEU 28 HB1 LEU 28 3.110 4.118 -3.243 193 HG LEU 28 HG LEU 28 1.406 2.347 -4.243 194 HD11 LEU 28 HD11 LEU 28 1.695 3.022 -6.533 195 HD12 LEU 28 HD12 LEU 28 2.314 1.385 -6.297 196 HD13 LEU 28 HD13 LEU 28 3.433 2.746 -6.417 197 HD21 LEU 28 HD21 LEU 28 3.063 1.673 -2.778 198 HD22 LEU 28 HD22 LEU 28 4.362 2.160 -3.878 199 HD23 LEU 28 HD23 LEU 28 3.368 0.749 -4.259 200 H VAL 29 HN VAL 29 0.962 4.065 -1.735 201 HA VAL 29 HA VAL 29 -0.687 1.840 -2.235 202 HB VAL 29 HB VAL 29 -0.091 3.383 0.280 203 HG11 VAL 29 HG11 VAL 29 -2.312 2.395 0.507 204 HG12 VAL 29 HG12 VAL 29 -1.148 1.552 1.531 205 HG13 VAL 29 HG13 VAL 29 -1.679 0.828 0.014 206 HG21 VAL 29 HG21 VAL 29 0.737 0.617 -0.580 207 HG22 VAL 29 HG22 VAL 29 1.317 1.520 0.819 208 HG23 VAL 29 HG23 VAL 29 1.711 2.067 -0.812 209 H ALA 30 HN ALA 30 -1.264 5.153 -1.443 210 HA ALA 30 HA ALA 30 -4.094 4.864 -1.183 211 HB1 ALA 30 HB1 ALA 30 -2.323 7.256 -1.505 212 HB2 ALA 30 HB2 ALA 30 -2.971 6.611 0.004 213 HB3 ALA 30 HB3 ALA 30 -4.053 7.324 -1.192 214 H ALA 31 HN ALA 31 -1.799 5.694 -3.639 215 HA ALA 31 HA ALA 31 -3.572 6.483 -5.673 216 HB1 ALA 31 HB1 ALA 31 -1.691 5.849 -7.190 217 HB2 ALA 31 HB2 ALA 31 -0.855 5.160 -5.787 218 HB3 ALA 31 HB3 ALA 31 -1.195 6.885 -5.847 219 H ALA 32 HN ALA 32 -2.231 3.422 -4.672 220 HA ALA 32 HA ALA 32 -3.511 1.662 -6.376 221 HB1 ALA 32 HB1 ALA 32 -3.304 0.105 -4.366 222 HB2 ALA 32 HB2 ALA 32 -2.607 1.498 -3.523 223 HB3 ALA 32 HB3 ALA 32 -1.824 0.854 -4.966 224 H THR 33 HN THR 33 -4.646 2.926 -3.204 225 HA THR 33 HA THR 33 -7.159 1.541 -3.482 226 HB THR 33 HB THR 33 -6.616 3.832 -1.591 227 HG1 THR 33 HG1 THR 33 -4.947 2.161 -1.481 228 HG21 THR 33 HG21 THR 33 -8.162 2.453 -0.151 229 HG22 THR 33 HG22 THR 33 -8.462 1.445 -1.573 230 HG23 THR 33 HG23 THR 33 -8.900 3.154 -1.591 231 H ALA 34 HN ALA 34 -5.878 4.581 -4.475 232 HA ALA 34 HA ALA 34 -8.328 5.893 -4.989 233 HB1 ALA 34 HB1 ALA 34 -6.995 7.336 -6.471 234 HB2 ALA 34 HB2 ALA 34 -5.629 6.232 -6.297 235 HB3 ALA 34 HB3 ALA 34 -6.235 7.116 -4.894 236 H THR 35 HN THR 35 -6.428 3.507 -6.632 237 HA THR 35 HA THR 35 -7.847 3.560 -9.089 238 HB THR 35 HB THR 35 -5.780 1.898 -7.785 239 HG1 THR 35 HG1 THR 35 -5.988 3.563 -9.840 240 HG21 THR 35 HG21 THR 35 -6.015 0.026 -9.252 241 HG22 THR 35 HG22 THR 35 -7.391 0.776 -10.062 242 HG23 THR 35 HG23 THR 35 -7.533 0.263 -8.375 243 H VAL 36 HN VAL 36 -7.940 1.476 -6.192 244 HA VAL 36 HA VAL 36 -9.755 -0.392 -7.159 245 HB VAL 36 HB VAL 36 -10.229 -0.944 -4.794 246 HG11 VAL 36 HG11 VAL 36 -7.845 -1.457 -4.155 247 HG12 VAL 36 HG12 VAL 36 -7.402 -0.686 -5.683 248 HG13 VAL 36 HG13 VAL 36 -8.444 -2.112 -5.674 249 HG21 VAL 36 HG21 VAL 36 -8.590 0.262 -3.186 250 HG22 VAL 36 HG22 VAL 36 -10.213 0.869 -3.496 251 HG23 VAL 36 HG23 VAL 36 -8.833 1.587 -4.327 252 H LEU 37 HN LEU 37 -10.361 2.766 -5.760 253 HA LEU 37 HA LEU 37 -13.242 2.194 -5.702 254 HB2 LEU 37 HB2 LEU 37 -11.939 4.662 -4.630 255 HB3 LEU 37 HB1 LEU 37 -13.461 3.933 -4.159 256 HG LEU 37 HG LEU 37 -10.805 2.629 -3.658 257 HD11 LEU 37 HD11 LEU 37 -10.916 3.484 -1.409 258 HD12 LEU 37 HD12 LEU 37 -12.394 4.367 -1.792 259 HD13 LEU 37 HD13 LEU 37 -10.874 4.803 -2.574 260 HD21 LEU 37 HD21 LEU 37 -12.712 1.138 -3.630 261 HD22 LEU 37 HD22 LEU 37 -13.555 2.205 -2.509 262 HD23 LEU 37 HD23 LEU 37 -12.094 1.362 -1.993 263 H GLY 38 HN GLY 38 -11.157 3.281 -7.903 264 HA2 GLY 38 HA2 GLY 38 -11.354 4.551 -9.798 265 HA3 GLY 38 HA1 GLY 38 -13.078 4.585 -9.484 266 H HIS 39 HN HIS 39 -10.661 5.891 -7.294 267 HA HIS 39 HA HIS 39 -11.892 8.525 -7.610 268 HB2 HIS 39 HB2 HIS 39 -10.242 7.244 -5.482 269 HB3 HIS 39 HB1 HIS 39 -10.253 8.999 -5.602 270 HD1 HIS 39 HD1 HIS 39 -11.789 9.871 -3.866 271 HD2 HIS 39 HD2 HIS 39 -13.280 6.430 -5.679 272 HE1 HIS 39 HE1 HIS 39 -14.054 9.478 -2.837 273 HE2 HIS 39 HE2 HIS 39 -14.866 7.317 -3.842 274 H HIS 40 HN HIS 40 -8.941 6.816 -8.163 275 HA HIS 40 HA HIS 40 -7.102 7.263 -9.392 276 HB2 HIS 40 HB2 HIS 40 -8.679 8.385 -10.966 277 HB3 HIS 40 HB1 HIS 40 -8.377 9.901 -10.129 278 HD1 HIS 40 HD1 HIS 40 -7.414 10.913 -12.325 279 HD2 HIS 40 HD2 HIS 40 -5.290 7.652 -10.859 280 HE1 HIS 40 HE1 HIS 40 -5.258 10.878 -13.614 281 HE2 HIS 40 HE2 HIS 40 -4.060 8.808 -12.819 282 H THR 41 HN THR 41 -8.190 10.106 -7.543 283 HA THR 41 HA THR 41 -5.516 11.032 -7.112 284 HB THR 41 HB THR 41 -6.982 12.215 -5.163 285 HG1 THR 41 HG1 THR 41 -8.786 12.476 -7.227 286 HG21 THR 41 HG21 THR 41 -5.559 13.421 -6.650 287 HG22 THR 41 HG22 THR 41 -7.176 14.123 -6.738 288 HG23 THR 41 HG23 THR 41 -6.606 13.058 -8.023 289 HA PRO 42 HA PRO 42 -4.719 8.417 -3.544 290 HB2 PRO 42 HB2 PRO 42 -2.207 9.878 -3.380 291 HB3 PRO 42 HB1 PRO 42 -2.476 8.178 -3.767 292 HG2 PRO 42 HG2 PRO 42 -1.605 9.985 -5.599 293 HG3 PRO 42 HG1 PRO 42 -2.584 8.568 -6.020 294 HD2 PRO 42 HD2 PRO 42 -3.436 11.421 -5.689 295 HD3 PRO 42 HD1 PRO 42 -3.937 10.225 -6.901 296 H GLU 43 HN GLU 43 -4.692 11.848 -3.845 297 HA GLU 43 HA GLU 43 -4.343 12.421 -1.067 298 HB2 GLU 43 HB2 GLU 43 -5.336 14.115 -3.346 299 HB3 GLU 43 HB1 GLU 43 -5.044 14.718 -1.716 300 HG2 GLU 43 HG2 GLU 43 -2.704 14.025 -1.915 301 HG3 GLU 43 HG1 GLU 43 -3.041 13.465 -3.548 302 H SER 44 HN SER 44 -6.986 11.906 -3.260 303 HA SER 44 HA SER 44 -9.112 12.634 -1.572 304 HB2 SER 44 HB2 SER 44 -9.356 12.313 -4.007 305 HB3 SER 44 HB1 SER 44 -9.013 10.602 -3.796 306 HG SER 44 HG SER 44 -11.266 12.042 -2.852 307 H ILE 45 HN ILE 45 -7.130 9.844 -1.906 308 HA ILE 45 HA ILE 45 -8.669 8.105 -0.211 309 HB ILE 45 HB ILE 45 -5.833 7.853 -1.199 310 HG12 ILE 45 HG12 ILE 45 -7.333 8.063 -3.071 311 HG13 ILE 45 HG11 ILE 45 -6.810 6.392 -2.938 312 HG21 ILE 45 HG21 ILE 45 -5.913 5.559 -0.670 313 HG22 ILE 45 HG22 ILE 45 -7.648 5.620 -0.350 314 HG23 ILE 45 HG23 ILE 45 -6.519 6.405 0.758 315 HD11 ILE 45 HD11 ILE 45 -9.453 7.459 -1.987 316 HD12 ILE 45 HD12 ILE 45 -8.925 5.776 -1.949 317 HD13 ILE 45 HD13 ILE 45 -9.171 6.591 -3.494 318 H SER 46 HN SER 46 -8.824 9.280 1.765 319 HA SER 46 HA SER 46 -6.590 10.268 3.174 320 HB2 SER 46 HB2 SER 46 -9.091 9.292 4.502 321 HB3 SER 46 HB1 SER 46 -8.063 10.642 4.960 322 HG SER 46 HG SER 46 -9.149 11.890 3.675 323 HA PRO 47 HA PRO 47 -4.843 6.524 4.508 324 HB2 PRO 47 HB2 PRO 47 -3.027 7.445 6.186 325 HB3 PRO 47 HB1 PRO 47 -3.055 8.038 4.527 326 HG2 PRO 47 HG2 PRO 47 -3.975 9.360 7.026 327 HG3 PRO 47 HG1 PRO 47 -3.232 10.073 5.593 328 HD2 PRO 47 HD2 PRO 47 -6.001 9.923 6.208 329 HD3 PRO 47 HD1 PRO 47 -5.275 10.484 4.680 330 H ALA 48 HN ALA 48 -6.810 8.197 6.652 331 HA ALA 48 HA ALA 48 -6.365 6.190 8.717 332 HB1 ALA 48 HB1 ALA 48 -6.471 7.828 10.408 333 HB2 ALA 48 HB2 ALA 48 -7.025 9.055 9.270 334 HB3 ALA 48 HB3 ALA 48 -5.373 8.439 9.163 335 H THR 49 HN THR 49 -8.458 7.276 6.521 336 HA THR 49 HA THR 49 -10.943 7.295 7.865 337 HB THR 49 HB THR 49 -10.079 6.905 5.021 338 HG1 THR 49 HG1 THR 49 -11.433 8.926 6.490 339 HG21 THR 49 HG21 THR 49 -12.923 6.821 6.000 340 HG22 THR 49 HG22 THR 49 -11.999 5.460 5.359 341 HG23 THR 49 HG23 THR 49 -12.398 6.829 4.314 342 H ALA 50 HN ALA 50 -9.056 4.873 6.228 343 HA ALA 50 HA ALA 50 -8.811 2.629 6.758 344 HB1 ALA 50 HB1 ALA 50 -11.673 2.639 7.676 345 HB2 ALA 50 HB2 ALA 50 -10.268 2.782 8.738 346 HB3 ALA 50 HB3 ALA 50 -10.517 1.308 7.801 347 H PHE 51 HN PHE 51 -8.917 1.088 5.365 348 HA PHE 51 HA PHE 51 -9.927 1.384 2.813 349 HB2 PHE 51 HB2 PHE 51 -9.288 -1.100 4.390 350 HB3 PHE 51 HB1 PHE 51 -9.637 -1.119 2.662 351 HD1 PHE 51 HD1 PHE 51 -8.303 1.130 1.601 352 HD2 PHE 51 HD2 PHE 51 -7.086 -1.454 4.732 353 HE1 PHE 51 HE1 PHE 51 -5.961 1.699 1.138 354 HE2 PHE 51 HE2 PHE 51 -4.740 -0.901 4.288 355 HZ PHE 51 HZ PHE 51 -4.169 0.679 2.481 356 H LYS 52 HN LYS 52 -11.301 -0.343 5.546 357 HA LYS 52 HA LYS 52 -13.586 -1.403 4.467 358 HB2 LYS 52 HB2 LYS 52 -13.321 0.029 7.118 359 HB3 LYS 52 HB1 LYS 52 -14.578 -1.114 6.709 360 HG2 LYS 52 HG2 LYS 52 -12.828 -2.860 6.482 361 HG3 LYS 52 HG1 LYS 52 -11.636 -1.674 7.003 362 HD2 LYS 52 HD2 LYS 52 -14.022 -2.536 8.640 363 HD3 LYS 52 HD1 LYS 52 -12.401 -3.189 8.803 364 HE2 LYS 52 HE2 LYS 52 -12.588 -1.613 10.509 365 HE3 LYS 52 HE1 LYS 52 -11.624 -0.856 9.256 366 HZ1 LYS 52 HZ1 LYS 52 -14.541 -0.392 9.520 367 HZ2 LYS 52 HZ2 LYS 52 -13.428 0.528 8.638 368 HZ3 LYS 52 HZ3 LYS 52 -13.400 0.556 10.323 369 H ASP 53 HN ASP 53 -12.911 1.822 5.588 370 HA ASP 53 HA ASP 53 -15.613 2.726 5.228 371 HB2 ASP 53 HB2 ASP 53 -13.094 4.071 6.227 372 HB3 ASP 53 HB1 ASP 53 -14.665 4.876 6.130 373 H LEU 54 HN LEU 54 -12.972 2.336 3.330 374 HA LEU 54 HA LEU 54 -13.330 4.701 1.676 375 HB2 LEU 54 HB2 LEU 54 -11.324 2.502 1.853 376 HB3 LEU 54 HB1 LEU 54 -11.423 3.436 0.382 377 HG LEU 54 HG LEU 54 -10.995 4.649 3.115 378 HD11 LEU 54 HD11 LEU 54 -9.136 3.196 2.648 379 HD12 LEU 54 HD12 LEU 54 -8.641 4.877 2.434 380 HD13 LEU 54 HD13 LEU 54 -8.976 3.871 1.026 381 HD21 LEU 54 HD21 LEU 54 -10.678 5.705 0.321 382 HD22 LEU 54 HD22 LEU 54 -10.186 6.557 1.784 383 HD23 LEU 54 HD23 LEU 54 -11.890 6.191 1.504 384 H GLY 55 HN GLY 55 -14.114 1.330 1.754 385 HA2 GLY 55 HA2 GLY 55 -16.036 0.808 0.238 386 HA3 GLY 55 HA1 GLY 55 -15.054 1.513 -1.041 387 H ILE 56 HN ILE 56 -12.945 0.047 0.963 388 HA ILE 56 HA ILE 56 -12.415 -2.132 -0.758 389 HB ILE 56 HB ILE 56 -11.480 -1.483 2.027 390 HG12 ILE 56 HG12 ILE 56 -10.229 -0.090 0.762 391 HG13 ILE 56 HG11 ILE 56 -9.245 -1.528 0.609 392 HG21 ILE 56 HG21 ILE 56 -11.335 -3.729 2.153 393 HG22 ILE 56 HG22 ILE 56 -9.755 -3.311 1.470 394 HG23 ILE 56 HG23 ILE 56 -11.039 -3.917 0.425 395 HD11 ILE 56 HD11 ILE 56 -10.385 -2.014 -1.541 396 HD12 ILE 56 HD12 ILE 56 -9.431 -0.533 -1.527 397 HD13 ILE 56 HD13 ILE 56 -11.188 -0.442 -1.398 398 H ASP 57 HN ASP 57 -13.322 -4.079 -0.834 399 HA ASP 57 HA ASP 57 -15.227 -4.776 1.307 400 HB2 ASP 57 HB2 ASP 57 -16.547 -5.946 -0.379 401 HB3 ASP 57 HB1 ASP 57 -16.289 -4.275 -0.867 402 H SER 58 HN SER 58 -12.632 -5.902 -0.683 403 HA SER 58 HA SER 58 -11.591 -8.062 0.316 404 HB2 SER 58 HB2 SER 58 -14.316 -8.857 -0.535 405 HB3 SER 58 HB1 SER 58 -13.003 -10.008 -0.707 406 HG SER 58 HG SER 58 -13.847 -8.713 1.680 407 H LEU 59 HN LEU 59 -13.649 -7.709 -2.561 408 HA LEU 59 HA LEU 59 -11.826 -8.729 -4.456 409 HB2 LEU 59 HB2 LEU 59 -14.088 -6.753 -4.616 410 HB3 LEU 59 HB1 LEU 59 -13.150 -7.165 -6.035 411 HG LEU 59 HG LEU 59 -14.693 -9.158 -4.378 412 HD11 LEU 59 HD11 LEU 59 -15.384 -7.748 -6.943 413 HD12 LEU 59 HD12 LEU 59 -16.189 -7.562 -5.386 414 HD13 LEU 59 HD13 LEU 59 -16.291 -9.096 -6.255 415 HD21 LEU 59 HD21 LEU 59 -14.366 -10.615 -6.321 416 HD22 LEU 59 HD22 LEU 59 -12.823 -10.130 -5.618 417 HD23 LEU 59 HD23 LEU 59 -13.399 -9.363 -7.099 418 H THR 60 HN THR 60 -12.492 -5.448 -3.379 419 HA THR 60 HA THR 60 -10.328 -4.376 -4.969 420 HB THR 60 HB THR 60 -10.946 -2.255 -3.636 421 HG1 THR 60 HG1 THR 60 -13.451 -3.475 -3.304 422 HG21 THR 60 HG21 THR 60 -11.435 -2.612 -5.984 423 HG22 THR 60 HG22 THR 60 -12.831 -1.868 -5.188 424 HG23 THR 60 HG23 THR 60 -12.844 -3.597 -5.564 425 H ALA 61 HN ALA 61 -10.728 -5.722 -1.894 426 HA ALA 61 HA ALA 61 -8.413 -4.533 -0.704 427 HB1 ALA 61 HB1 ALA 61 -8.625 -6.233 0.998 428 HB2 ALA 61 HB2 ALA 61 -9.731 -7.163 -0.016 429 HB3 ALA 61 HB3 ALA 61 -10.228 -5.595 0.621 430 H LEU 62 HN LEU 62 -9.147 -7.413 -2.604 431 HA LEU 62 HA LEU 62 -6.465 -8.379 -2.571 432 HB2 LEU 62 HB2 LEU 62 -8.846 -9.504 -3.083 433 HB3 LEU 62 HB1 LEU 62 -8.344 -9.139 -4.713 434 HG LEU 62 HG LEU 62 -7.554 -11.277 -4.524 435 HD11 LEU 62 HD11 LEU 62 -5.172 -11.291 -4.186 436 HD12 LEU 62 HD12 LEU 62 -5.253 -9.787 -3.269 437 HD13 LEU 62 HD13 LEU 62 -5.633 -9.790 -4.994 438 HD21 LEU 62 HD21 LEU 62 -8.322 -11.627 -2.262 439 HD22 LEU 62 HD22 LEU 62 -6.947 -10.719 -1.633 440 HD23 LEU 62 HD23 LEU 62 -6.686 -12.258 -2.456 441 H GLU 63 HN GLU 63 -8.476 -6.462 -4.854 442 HA GLU 63 HA GLU 63 -6.511 -6.277 -6.833 443 HB2 GLU 63 HB2 GLU 63 -8.646 -5.758 -7.532 444 HB3 GLU 63 HB1 GLU 63 -9.029 -4.899 -6.055 445 HG2 GLU 63 HG2 GLU 63 -8.966 -3.294 -7.736 446 HG3 GLU 63 HG1 GLU 63 -7.484 -3.138 -6.794 447 H LEU 64 HN LEU 64 -7.231 -4.428 -3.903 448 HA LEU 64 HA LEU 64 -5.285 -2.436 -4.101 449 HB2 LEU 64 HB2 LEU 64 -6.978 -3.477 -2.082 450 HB3 LEU 64 HB1 LEU 64 -5.334 -3.606 -1.469 451 HG LEU 64 HG LEU 64 -6.649 -1.075 -2.428 452 HD11 LEU 64 HD11 LEU 64 -5.978 -2.119 0.319 453 HD12 LEU 64 HD12 LEU 64 -7.588 -1.787 -0.330 454 HD13 LEU 64 HD13 LEU 64 -6.464 -0.457 -0.026 455 HD21 LEU 64 HD21 LEU 64 -4.214 -1.217 -2.865 456 HD22 LEU 64 HD22 LEU 64 -3.960 -1.514 -1.144 457 HD23 LEU 64 HD23 LEU 64 -4.634 0.026 -1.682 458 H ARG 65 HN ARG 65 -5.214 -5.695 -3.055 459 HA ARG 65 HA ARG 65 -2.555 -5.841 -2.128 460 HB2 ARG 65 HB2 ARG 65 -4.379 -7.432 -1.532 461 HB3 ARG 65 HB1 ARG 65 -4.314 -8.086 -3.162 462 HG2 ARG 65 HG2 ARG 65 -1.872 -8.075 -1.426 463 HG3 ARG 65 HG1 ARG 65 -3.110 -9.311 -1.220 464 HD2 ARG 65 HD2 ARG 65 -2.835 -9.997 -3.540 465 HD3 ARG 65 HD1 ARG 65 -1.650 -8.714 -3.794 466 HE ARG 65 HE ARG 65 -0.875 -10.396 -1.640 467 HH11 ARG 65 HH11 ARG 65 -1.072 -10.371 -5.139 468 HH12 ARG 65 HH12 ARG 65 0.299 -11.410 -5.341 469 HH21 ARG 65 HH21 ARG 65 0.907 -11.766 -1.909 470 HH22 ARG 65 HH22 ARG 65 1.423 -12.216 -3.502 471 H ASN 66 HN ASN 66 -4.089 -6.812 -5.124 472 HA ASN 66 HA ASN 66 -1.946 -7.761 -6.566 473 HB2 ASN 66 HB2 ASN 66 -4.576 -6.591 -7.196 474 HB3 ASN 66 HB1 ASN 66 -3.410 -6.554 -8.505 475 HD21 ASN 66 HD21 ASN 66 -5.403 -8.509 -6.507 476 HD22 ASN 66 HD22 ASN 66 -5.163 -9.982 -7.373 477 H THR 67 HN THR 67 -3.010 -4.374 -6.188 478 HA THR 67 HA THR 67 -1.037 -3.406 -8.024 479 HB THR 67 HB THR 67 -2.582 -1.903 -5.923 480 HG1 THR 67 HG1 THR 67 -4.062 -2.650 -7.377 481 HG21 THR 67 HG21 THR 67 -2.037 0.095 -7.262 482 HG22 THR 67 HG22 THR 67 -1.025 -0.903 -8.308 483 HG23 THR 67 HG23 THR 67 -0.591 -0.682 -6.611 484 H LEU 68 HN LEU 68 -1.355 -3.352 -4.497 485 HA LEU 68 HA LEU 68 1.015 -2.019 -3.940 486 HB2 LEU 68 HB2 LEU 68 -0.495 -4.067 -2.340 487 HB3 LEU 68 HB1 LEU 68 0.886 -3.198 -1.712 488 HG LEU 68 HG LEU 68 -1.874 -2.253 -2.227 489 HD11 LEU 68 HD11 LEU 68 0.210 -1.645 -0.148 490 HD12 LEU 68 HD12 LEU 68 -1.108 -2.805 0.010 491 HD13 LEU 68 HD13 LEU 68 -1.457 -1.085 -0.137 492 HD21 LEU 68 HD21 LEU 68 -1.147 0.070 -2.277 493 HD22 LEU 68 HD22 LEU 68 -0.565 -0.808 -3.690 494 HD23 LEU 68 HD23 LEU 68 0.536 -0.446 -2.359 495 H THR 69 HN THR 69 0.462 -5.552 -3.871 496 HA THR 69 HA THR 69 3.070 -6.251 -3.267 497 HB THR 69 HB THR 69 0.889 -7.685 -3.390 498 HG1 THR 69 HG1 THR 69 3.441 -8.716 -4.145 499 HG21 THR 69 HG21 THR 69 2.030 -8.192 -6.137 500 HG22 THR 69 HG22 THR 69 0.485 -7.421 -5.784 501 HG23 THR 69 HG23 THR 69 0.739 -9.116 -5.369 502 H HIS 70 HN HIS 70 1.670 -5.229 -6.274 503 HA HIS 70 HA HIS 70 3.795 -6.196 -7.920 504 HB2 HIS 70 HB2 HIS 70 1.487 -5.832 -8.786 505 HB3 HIS 70 HB1 HIS 70 1.683 -4.110 -8.512 506 HD1 HIS 70 HD1 HIS 70 2.584 -6.828 -10.890 507 HD2 HIS 70 HD2 HIS 70 3.378 -2.787 -10.333 508 HE1 HIS 70 HE1 HIS 70 3.564 -6.028 -13.063 509 HE2 HIS 70 HE2 HIS 70 4.206 -3.629 -12.633 510 H ASN 71 HN ASN 71 2.978 -3.159 -6.366 511 HA ASN 71 HA ASN 71 5.170 -1.772 -7.626 512 HB2 ASN 71 HB2 ASN 71 3.076 -0.954 -5.657 513 HB3 ASN 71 HB1 ASN 71 4.419 0.105 -6.088 514 HD21 ASN 71 HD21 ASN 71 1.548 -1.473 -7.206 515 HD22 ASN 71 HD22 ASN 71 1.356 -0.536 -8.643 516 H THR 72 HN THR 72 4.783 -3.623 -4.788 517 HA THR 72 HA THR 72 7.186 -2.391 -3.635 518 HB THR 72 HB THR 72 6.422 -3.249 -1.466 519 HG1 THR 72 HG1 THR 72 3.966 -3.905 -2.745 520 HG21 THR 72 HG21 THR 72 5.621 -1.014 -2.638 521 HG22 THR 72 HG22 THR 72 4.926 -1.527 -1.100 522 HG23 THR 72 HG23 THR 72 4.053 -1.828 -2.605 523 H GLY 73 HN GLY 73 5.903 -5.218 -5.053 524 HA2 GLY 73 HA2 GLY 73 7.281 -6.881 -5.934 525 HA3 GLY 73 HA1 GLY 73 8.597 -6.225 -4.986 526 H LEU 74 HN LEU 74 5.998 -6.606 -3.041 527 HA LEU 74 HA LEU 74 7.374 -8.691 -1.629 528 HB2 LEU 74 HB2 LEU 74 5.983 -6.456 -0.920 529 HB3 LEU 74 HB1 LEU 74 4.815 -7.718 -0.588 530 HG LEU 74 HG LEU 74 6.580 -8.870 0.776 531 HD11 LEU 74 HD11 LEU 74 8.009 -6.231 0.626 532 HD12 LEU 74 HD12 LEU 74 8.421 -7.587 -0.422 533 HD13 LEU 74 HD13 LEU 74 8.576 -7.746 1.335 534 HD21 LEU 74 HD21 LEU 74 6.236 -7.497 2.692 535 HD22 LEU 74 HD22 LEU 74 4.776 -7.408 1.705 536 HD23 LEU 74 HD23 LEU 74 5.935 -6.080 1.692 537 H ASP 75 HN ASP 75 5.535 -9.967 -0.274 538 HA ASP 75 HA ASP 75 3.725 -11.310 -2.129 539 HB2 ASP 75 HB2 ASP 75 5.856 -12.525 -2.231 540 HB3 ASP 75 HB1 ASP 75 5.841 -12.672 -0.484 541 H LEU 76 HN LEU 76 2.545 -9.811 -0.617 542 HA LEU 76 HA LEU 76 2.181 -10.829 2.084 543 HB2 LEU 76 HB2 LEU 76 1.090 -8.783 2.601 544 HB3 LEU 76 HB1 LEU 76 2.526 -8.394 1.683 545 HG LEU 76 HG LEU 76 -0.270 -8.427 0.532 546 HD11 LEU 76 HD11 LEU 76 -0.072 -5.978 0.591 547 HD12 LEU 76 HD12 LEU 76 1.444 -6.134 1.477 548 HD13 LEU 76 HD13 LEU 76 -0.065 -6.689 2.203 549 HD21 LEU 76 HD21 LEU 76 0.803 -7.109 -1.283 550 HD22 LEU 76 HD22 LEU 76 1.360 -8.778 -1.193 551 HD23 LEU 76 HD23 LEU 76 2.373 -7.476 -0.567 552 HA PRO 77 HA PRO 77 -1.501 -12.972 1.133 553 HB2 PRO 77 HB2 PRO 77 -2.644 -13.140 3.555 554 HB3 PRO 77 HB1 PRO 77 -1.114 -13.950 3.193 555 HG2 PRO 77 HG2 PRO 77 -1.592 -11.356 4.612 556 HG3 PRO 77 HG1 PRO 77 -0.494 -12.680 5.048 557 HD2 PRO 77 HD2 PRO 77 0.322 -10.419 3.765 558 HD3 PRO 77 HD1 PRO 77 1.120 -11.991 3.572 559 HA PRO 78 HA PRO 78 -5.096 -10.476 0.293 560 HB2 PRO 78 HB2 PRO 78 -6.579 -12.801 1.411 561 HB3 PRO 78 HB1 PRO 78 -6.790 -11.984 -0.141 562 HG2 PRO 78 HG2 PRO 78 -5.602 -14.333 -0.069 563 HG3 PRO 78 HG1 PRO 78 -4.925 -13.043 -1.084 564 HD2 PRO 78 HD2 PRO 78 -4.010 -14.019 1.595 565 HD3 PRO 78 HD1 PRO 78 -3.051 -13.567 0.171 566 H THR 79 HN THR 79 -4.377 -11.501 3.447 567 HA THR 79 HA THR 79 -6.724 -10.142 4.529 568 HB THR 79 HB THR 79 -5.872 -11.068 6.727 569 HG1 THR 79 HG1 THR 79 -4.132 -12.327 6.720 570 HG21 THR 79 HG21 THR 79 -6.614 -12.958 4.494 571 HG22 THR 79 HG22 THR 79 -7.720 -12.108 5.576 572 HG23 THR 79 HG23 THR 79 -6.663 -13.370 6.210 573 H LEU 80 HN LEU 80 -4.431 -8.917 3.184 574 HA LEU 80 HA LEU 80 -2.780 -7.600 5.071 575 HB2 LEU 80 HB2 LEU 80 -2.034 -6.233 3.264 576 HB3 LEU 80 HB1 LEU 80 -2.251 -7.852 2.633 577 HG LEU 80 HG LEU 80 -4.316 -5.680 2.280 578 HD11 LEU 80 HD11 LEU 80 -3.425 -5.339 0.044 579 HD12 LEU 80 HD12 LEU 80 -2.115 -6.471 0.383 580 HD13 LEU 80 HD13 LEU 80 -2.220 -4.949 1.270 581 HD21 LEU 80 HD21 LEU 80 -3.841 -8.282 0.834 582 HD22 LEU 80 HD22 LEU 80 -5.071 -7.087 0.424 583 HD23 LEU 80 HD23 LEU 80 -5.151 -7.939 1.964 584 H ILE 81 HN ILE 81 -5.798 -6.768 3.444 585 HA ILE 81 HA ILE 81 -5.966 -4.131 4.564 586 HB ILE 81 HB ILE 81 -8.215 -5.834 3.461 587 HG12 ILE 81 HG12 ILE 81 -6.587 -5.674 1.740 588 HG13 ILE 81 HG11 ILE 81 -7.799 -4.455 1.398 589 HG21 ILE 81 HG21 ILE 81 -8.028 -2.854 3.388 590 HG22 ILE 81 HG22 ILE 81 -8.756 -3.700 4.763 591 HG23 ILE 81 HG23 ILE 81 -9.444 -3.883 3.142 592 HD11 ILE 81 HD11 ILE 81 -5.240 -3.888 2.840 593 HD12 ILE 81 HD12 ILE 81 -6.404 -2.733 2.184 594 HD13 ILE 81 HD13 ILE 81 -5.447 -3.741 1.096 595 H PHE 82 HN PHE 82 -7.184 -7.272 5.412 596 HA PHE 82 HA PHE 82 -8.794 -6.510 7.570 597 HB2 PHE 82 HB2 PHE 82 -7.426 -9.126 6.922 598 HB3 PHE 82 HB1 PHE 82 -8.668 -8.925 8.149 599 HD1 PHE 82 HD1 PHE 82 -10.877 -9.225 7.599 600 HD2 PHE 82 HD2 PHE 82 -8.084 -8.368 4.494 601 HE1 PHE 82 HE1 PHE 82 -12.634 -9.571 5.919 602 HE2 PHE 82 HE2 PHE 82 -9.840 -8.723 2.816 603 HZ PHE 82 HZ PHE 82 -12.120 -9.319 3.524 604 H ASP 83 HN ASP 83 -5.358 -7.196 7.322 605 HA ASP 83 HA ASP 83 -5.029 -7.086 10.219 606 HB2 ASP 83 HB2 ASP 83 -3.738 -8.722 8.835 607 HB3 ASP 83 HB1 ASP 83 -2.912 -7.368 8.083 608 H HIS 84 HN HIS 84 -4.610 -5.129 7.403 609 HA HIS 84 HA HIS 84 -3.712 -2.894 9.092 610 HB2 HIS 84 HB2 HIS 84 -2.648 -3.728 6.399 611 HB3 HIS 84 HB1 HIS 84 -2.416 -2.109 7.030 612 HD1 HIS 84 HD1 HIS 84 -0.661 -1.827 8.911 613 HD2 HIS 84 HD2 HIS 84 -1.220 -5.764 7.707 614 HE1 HIS 84 HE1 HIS 84 1.209 -3.124 9.967 615 HE2 HIS 84 HE2 HIS 84 0.737 -5.527 9.375 616 HA PRO 85 HA PRO 85 -7.574 -2.147 6.919 617 HB2 PRO 85 HB2 PRO 85 -8.897 -0.895 8.865 618 HB3 PRO 85 HB1 PRO 85 -8.533 -2.622 8.968 619 HG2 PRO 85 HG2 PRO 85 -7.146 -0.312 10.273 620 HG3 PRO 85 HG1 PRO 85 -7.571 -1.892 10.957 621 HD2 PRO 85 HD2 PRO 85 -5.075 -1.218 9.987 622 HD3 PRO 85 HD1 PRO 85 -5.684 -2.878 10.135 623 H THR 86 HN THR 86 -5.190 0.152 7.435 624 HA THR 86 HA THR 86 -6.923 2.147 6.169 625 HB THR 86 HB THR 86 -5.782 3.960 7.330 626 HG1 THR 86 HG1 THR 86 -4.622 2.782 9.367 627 HG21 THR 86 HG21 THR 86 -6.935 1.895 9.201 628 HG22 THR 86 HG22 THR 86 -7.817 3.165 8.355 629 HG23 THR 86 HG23 THR 86 -6.660 3.586 9.615 630 HA PRO 87 HA PRO 87 -3.783 2.524 3.020 631 HB2 PRO 87 HB2 PRO 87 -3.904 5.455 3.407 632 HB3 PRO 87 HB1 PRO 87 -4.067 4.508 1.930 633 HG2 PRO 87 HG2 PRO 87 -6.209 5.590 3.098 634 HG3 PRO 87 HG1 PRO 87 -6.283 3.996 2.327 635 HD2 PRO 87 HD2 PRO 87 -6.193 4.698 5.227 636 HD3 PRO 87 HD1 PRO 87 -7.041 3.371 4.408 637 H HIS 88 HN HIS 88 -3.506 4.529 5.885 638 HA HIS 88 HA HIS 88 -0.703 4.861 5.886 639 HB2 HIS 88 HB2 HIS 88 -2.330 6.122 7.313 640 HB3 HIS 88 HB1 HIS 88 -2.574 4.664 8.259 641 HD1 HIS 88 HD1 HIS 88 0.274 7.009 7.328 642 HD2 HIS 88 HD2 HIS 88 -0.940 4.475 10.388 643 HE1 HIS 88 HE1 HIS 88 1.970 7.302 9.158 644 HE2 HIS 88 HE2 HIS 88 1.094 5.917 11.076 645 H ALA 89 HN ALA 89 -2.808 2.488 7.470 646 HA ALA 89 HA ALA 89 -0.880 0.903 8.673 647 HB1 ALA 89 HB1 ALA 89 -3.260 0.721 9.139 648 HB2 ALA 89 HB2 ALA 89 -2.568 -0.847 8.711 649 HB3 ALA 89 HB3 ALA 89 -3.526 0.049 7.528 650 H LEU 90 HN LEU 90 -2.487 0.201 5.523 651 HA LEU 90 HA LEU 90 -0.966 -1.993 4.817 652 HB2 LEU 90 HB2 LEU 90 -2.818 -0.307 3.561 653 HB3 LEU 90 HB1 LEU 90 -1.417 -0.306 2.533 654 HG LEU 90 HG LEU 90 -1.502 -2.703 2.277 655 HD11 LEU 90 HD11 LEU 90 -2.358 -3.208 4.543 656 HD12 LEU 90 HD12 LEU 90 -3.221 -4.055 3.265 657 HD13 LEU 90 HD13 LEU 90 -3.948 -2.645 4.032 658 HD21 LEU 90 HD21 LEU 90 -3.400 -2.840 0.914 659 HD22 LEU 90 HD22 LEU 90 -2.982 -1.126 0.924 660 HD23 LEU 90 HD23 LEU 90 -4.311 -1.716 1.921 661 H THR 91 HN THR 91 -0.318 1.413 4.288 662 HA THR 91 HA THR 91 2.023 1.140 2.836 663 HB THR 91 HB THR 91 1.011 3.288 4.696 664 HG1 THR 91 HG1 THR 91 -0.061 3.470 2.854 665 HG21 THR 91 HG21 THR 91 3.631 3.219 3.243 666 HG22 THR 91 HG22 THR 91 3.313 3.631 4.926 667 HG23 THR 91 HG23 THR 91 2.834 4.738 3.640 668 H GLN 92 HN GLN 92 1.495 1.441 6.320 669 HA GLN 92 HA GLN 92 4.109 1.359 7.218 670 HB2 GLN 92 HB2 GLN 92 1.580 0.277 8.452 671 HB3 GLN 92 HB1 GLN 92 3.105 0.348 9.311 672 HG2 GLN 92 HG2 GLN 92 3.010 2.877 8.603 673 HG3 GLN 92 HG1 GLN 92 1.288 2.536 8.477 674 HE21 GLN 92 HE21 GLN 92 0.130 1.980 10.325 675 HE22 GLN 92 HE22 GLN 92 0.728 2.328 11.907 676 H HIS 93 HN HIS 93 2.003 -1.258 6.238 677 HA HIS 93 HA HIS 93 3.539 -3.428 7.105 678 HB2 HIS 93 HB2 HIS 93 1.276 -3.761 6.362 679 HB3 HIS 93 HB1 HIS 93 1.648 -3.131 4.764 680 HD1 HIS 93 HD1 HIS 93 2.074 -6.193 6.903 681 HD2 HIS 93 HD2 HIS 93 2.742 -4.957 2.980 682 HE1 HIS 93 HE1 HIS 93 2.592 -8.282 5.615 683 HE2 HIS 93 HE2 HIS 93 3.209 -7.491 3.314 684 H LEU 94 HN LEU 94 3.553 -1.793 3.915 685 HA LEU 94 HA LEU 94 5.697 -3.496 2.985 686 HB2 LEU 94 HB2 LEU 94 4.434 -1.047 1.739 687 HB3 LEU 94 HB1 LEU 94 5.492 -2.186 0.928 688 HG LEU 94 HG LEU 94 2.899 -3.055 2.169 689 HD11 LEU 94 HD11 LEU 94 3.237 -2.287 -0.711 690 HD12 LEU 94 HD12 LEU 94 2.522 -1.235 0.522 691 HD13 LEU 94 HD13 LEU 94 1.770 -2.784 0.136 692 HD21 LEU 94 HD21 LEU 94 4.566 -4.206 -0.083 693 HD22 LEU 94 HD22 LEU 94 3.095 -4.907 0.600 694 HD23 LEU 94 HD23 LEU 94 4.551 -4.788 1.586 695 H HIS 95 HN HIS 95 5.460 -0.493 4.606 696 HA HIS 95 HA HIS 95 8.030 0.546 3.753 697 HB2 HIS 95 HB2 HIS 95 6.168 2.046 4.448 698 HB3 HIS 95 HB1 HIS 95 6.219 1.343 6.056 699 HD1 HIS 95 HD1 HIS 95 8.002 2.167 7.654 700 HD2 HIS 95 HD2 HIS 95 8.292 3.867 3.859 701 HE1 HIS 95 HE1 HIS 95 9.573 4.101 7.897 702 HE2 HIS 95 HE2 HIS 95 9.528 5.242 5.664 703 H THR 96 HN THR 96 6.723 -1.562 6.083 704 HA THR 96 HA THR 96 9.050 -1.566 7.800 705 HB THR 96 HB THR 96 6.281 -2.612 7.854 706 HG1 THR 96 HG1 THR 96 6.714 -0.827 9.079 707 HG21 THR 96 HG21 THR 96 7.521 -4.669 8.085 708 HG22 THR 96 HG22 THR 96 6.744 -4.231 9.608 709 HG23 THR 96 HG23 THR 96 8.476 -3.971 9.394 710 H ARG 97 HN ARG 97 7.301 -3.705 5.583 711 HA ARG 97 HA ARG 97 8.955 -5.950 5.875 712 HB2 ARG 97 HB2 ARG 97 6.966 -5.058 3.838 713 HB3 ARG 97 HB1 ARG 97 7.938 -6.491 3.536 714 HG2 ARG 97 HG2 ARG 97 6.321 -6.089 6.015 715 HG3 ARG 97 HG1 ARG 97 5.697 -6.910 4.581 716 HD2 ARG 97 HD2 ARG 97 7.612 -8.479 4.741 717 HD3 ARG 97 HD1 ARG 97 8.080 -7.708 6.249 718 HE ARG 97 HE ARG 97 5.378 -8.667 6.268 719 HH11 ARG 97 HH11 ARG 97 8.732 -9.536 6.755 720 HH12 ARG 97 HH12 ARG 97 8.365 -10.900 7.765 721 HH21 ARG 97 HH21 ARG 97 4.888 -10.480 7.567 722 HH22 ARG 97 HH22 ARG 97 6.176 -11.435 8.230 723 H LEU 98 HN LEU 98 9.407 -3.054 4.198 724 HA LEU 98 HA LEU 98 11.181 -3.585 2.191 725 HB2 LEU 98 HB2 LEU 98 10.834 -1.409 4.123 726 HB3 LEU 98 HB1 LEU 98 12.417 -1.486 3.392 727 HG LEU 98 HG LEU 98 10.134 -0.266 2.340 728 HD11 LEU 98 HD11 LEU 98 11.640 0.176 0.436 729 HD12 LEU 98 HD12 LEU 98 12.778 -0.998 1.101 730 HD13 LEU 98 HD13 LEU 98 12.396 0.468 2.002 731 HD21 LEU 98 HD21 LEU 98 10.922 -2.583 0.582 732 HD22 LEU 98 HD22 LEU 98 9.674 -1.375 0.290 733 HD23 LEU 98 HD23 LEU 98 9.462 -2.564 1.573 734 H THR 99 HN THR 99 11.865 -3.527 5.638 735 HA THR 99 HA THR 99 14.520 -4.646 5.091 736 HB THR 99 HB THR 99 14.722 -2.654 6.374 737 HG1 THR 99 HG1 THR 99 15.949 -4.500 7.126 738 HG21 THR 99 HG21 THR 99 12.661 -3.785 8.256 739 HG22 THR 99 HG22 THR 99 12.423 -2.446 7.130 740 HG23 THR 99 HG23 THR 99 13.543 -2.275 8.485 741 H GLN 100 HN GLN 100 11.580 -5.066 6.964 742 HA GLN 100 HA GLN 100 12.366 -7.517 8.185 743 HB2 GLN 100 HB2 GLN 100 9.596 -6.427 7.756 744 HB3 GLN 100 HB1 GLN 100 10.050 -7.683 8.893 745 HG2 GLN 100 HG2 GLN 100 11.005 -4.833 8.981 746 HG3 GLN 100 HG1 GLN 100 9.703 -5.508 9.958 747 HE21 GLN 100 HE21 GLN 100 12.218 -4.288 10.780 748 HE22 GLN 100 HE22 GLN 100 13.043 -5.474 11.728 749 H SER 101 HN SER 101 13.144 -8.295 5.952 750 HA SER 101 HA SER 101 11.288 -10.302 5.072 751 HB2 SER 101 HB2 SER 101 11.481 -9.613 2.647 752 HB3 SER 101 HB1 SER 101 10.492 -8.545 3.642 753 HG SER 101 HG SER 101 11.824 -6.982 3.241 754 H HIS 102 HN HIS 102 12.445 -11.348 2.963 755 HA HIS 102 HA HIS 102 15.157 -11.944 3.846 756 HB2 HIS 102 HB2 HIS 102 13.408 -13.265 1.785 757 HB3 HIS 102 HB1 HIS 102 15.035 -13.774 2.152 758 HD1 HIS 102 HD1 HIS 102 15.270 -15.484 3.946 759 HD2 HIS 102 HD2 HIS 102 11.600 -13.545 4.092 760 HE1 HIS 102 HE1 HIS 102 13.940 -16.687 5.707 761 HE2 HIS 102 HE2 HIS 102 11.788 -15.393 5.887 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 5.995 -8.954 -16.572 2 H2 GLY 1 HT2 GLY 1 5.317 -10.482 -16.323 3 H3 GLY 1 HT3 GLY 1 6.857 -10.130 -15.716 4 HA2 GLY 1 HA1 GLY 1 4.319 -8.874 -14.844 5 HA3 GLY 1 HA2 GLY 1 5.213 -10.095 -13.952 6 H ALA 2 HN ALA 2 5.227 -8.488 -12.228 7 HA ALA 2 HA ALA 2 6.632 -6.037 -12.525 8 HB1 ALA 2 HB1 ALA 2 6.556 -5.911 -10.092 9 HB2 ALA 2 HB2 ALA 2 6.045 -7.598 -10.012 10 HB3 ALA 2 HB3 ALA 2 4.991 -6.389 -10.747 11 H ALA 3 HN ALA 3 7.544 -9.286 -11.686 12 HA ALA 3 HA ALA 3 9.525 -10.362 -11.473 13 HB1 ALA 3 HB1 ALA 3 10.874 -7.843 -12.412 14 HB2 ALA 3 HB2 ALA 3 10.185 -9.059 -13.493 15 HB3 ALA 3 HB3 ALA 3 11.527 -9.481 -12.426 16 H SER 4 HN SER 4 10.358 -7.022 -10.659 17 HA SER 4 HA SER 4 10.908 -7.691 -7.924 18 HB2 SER 4 HB2 SER 4 13.362 -6.919 -8.285 19 HB3 SER 4 HB1 SER 4 12.936 -8.578 -8.678 20 HG SER 4 HG SER 4 13.280 -8.184 -10.724 21 H ALA 5 HN ALA 5 9.224 -5.939 -8.038 22 HA ALA 5 HA ALA 5 10.292 -3.298 -8.662 23 HB1 ALA 5 HB1 ALA 5 8.045 -2.487 -8.238 24 HB2 ALA 5 HB2 ALA 5 7.560 -4.078 -7.651 25 HB3 ALA 5 HB3 ALA 5 8.004 -3.860 -9.344 26 H ALA 6 HN ALA 6 10.666 -5.278 -6.129 27 HA ALA 6 HA ALA 6 10.185 -3.400 -3.983 28 HB1 ALA 6 HB1 ALA 6 11.666 -6.032 -4.046 29 HB2 ALA 6 HB2 ALA 6 10.000 -5.764 -3.522 30 HB3 ALA 6 HB3 ALA 6 11.337 -5.089 -2.591 31 H THR 7 HN THR 7 12.545 -3.967 -6.300 32 HA THR 7 HA THR 7 14.510 -2.395 -4.807 33 HB THR 7 HB THR 7 15.493 -4.383 -5.718 34 HG1 THR 7 HG1 THR 7 16.349 -1.955 -6.302 35 HG21 THR 7 HG21 THR 7 14.473 -3.476 -8.407 36 HG22 THR 7 HG22 THR 7 13.889 -4.861 -7.485 37 HG23 THR 7 HG23 THR 7 15.532 -4.858 -8.125 38 H ASP 8 HN ASP 8 11.910 -1.967 -6.784 39 HA ASP 8 HA ASP 8 13.018 0.411 -8.051 40 HB2 ASP 8 HB2 ASP 8 10.784 -1.377 -8.628 41 HB3 ASP 8 HB1 ASP 8 10.328 0.324 -8.612 42 H LEU 9 HN LEU 9 10.749 -0.835 -5.747 43 HA LEU 9 HA LEU 9 9.453 1.594 -5.152 44 HB2 LEU 9 HB2 LEU 9 8.424 -0.437 -4.447 45 HB3 LEU 9 HB1 LEU 9 9.850 -0.932 -3.564 46 HG LEU 9 HG LEU 9 9.536 1.071 -2.097 47 HD11 LEU 9 HD11 LEU 9 6.838 1.166 -3.425 48 HD12 LEU 9 HD12 LEU 9 8.146 2.352 -3.634 49 HD13 LEU 9 HD13 LEU 9 7.372 2.144 -2.053 50 HD21 LEU 9 HD21 LEU 9 7.319 -0.956 -2.078 51 HD22 LEU 9 HD22 LEU 9 7.894 -0.006 -0.710 52 HD23 LEU 9 HD23 LEU 9 8.946 -1.210 -1.454 53 H ALA 10 HN ALA 10 11.806 -0.300 -3.391 54 HA ALA 10 HA ALA 10 12.640 1.649 -1.550 55 HB1 ALA 10 HB1 ALA 10 14.285 -0.591 -2.748 56 HB2 ALA 10 HB2 ALA 10 13.223 -0.723 -1.346 57 HB3 ALA 10 HB3 ALA 10 14.660 0.295 -1.270 58 H ALA 11 HN ALA 11 12.958 1.749 -4.884 59 HA ALA 11 HA ALA 11 15.492 3.117 -4.981 60 HB1 ALA 11 HB1 ALA 11 14.899 3.497 -7.351 61 HB2 ALA 11 HB2 ALA 11 13.345 2.708 -7.046 62 HB3 ALA 11 HB3 ALA 11 14.848 1.796 -6.885 63 H ARG 12 HN ARG 12 12.000 3.899 -5.085 64 HA ARG 12 HA ARG 12 12.302 6.689 -5.308 65 HB2 ARG 12 HB2 ARG 12 10.205 4.868 -4.191 66 HB3 ARG 12 HB1 ARG 12 10.016 6.600 -4.089 67 HG2 ARG 12 HG2 ARG 12 8.782 5.914 -5.943 68 HG3 ARG 12 HG1 ARG 12 10.268 6.600 -6.594 69 HD2 ARG 12 HD2 ARG 12 11.191 4.463 -6.988 70 HD3 ARG 12 HD1 ARG 12 9.917 3.692 -6.041 71 HE ARG 12 HE ARG 12 8.462 4.752 -7.964 72 HH11 ARG 12 HH11 ARG 12 11.542 3.114 -8.246 73 HH12 ARG 12 HH12 ARG 12 11.233 2.520 -9.849 74 HH21 ARG 12 HH21 ARG 12 8.057 3.997 -10.079 75 HH22 ARG 12 HH22 ARG 12 9.254 3.044 -10.895 76 H LEU 13 HN LEU 13 12.581 4.428 -2.734 77 HA LEU 13 HA LEU 13 12.138 6.347 -0.620 78 HB2 LEU 13 HB2 LEU 13 12.628 3.416 -0.777 79 HB3 LEU 13 HB1 LEU 13 12.816 4.234 0.756 80 HG LEU 13 HG LEU 13 10.504 4.837 0.813 81 HD11 LEU 13 HD11 LEU 13 8.981 4.019 -1.032 82 HD12 LEU 13 HD12 LEU 13 10.450 3.971 -2.026 83 HD13 LEU 13 HD13 LEU 13 9.916 5.491 -1.295 84 HD21 LEU 13 HD21 LEU 13 10.753 2.004 -0.124 85 HD22 LEU 13 HD22 LEU 13 9.410 2.679 0.797 86 HD23 LEU 13 HD23 LEU 13 11.014 2.580 1.522 87 H ASN 14 HN ASN 14 14.711 4.277 -1.736 88 HA ASN 14 HA ASN 14 16.765 4.956 -0.069 89 HB2 ASN 14 HB2 ASN 14 16.482 4.034 -2.848 90 HB3 ASN 14 HB1 ASN 14 18.075 4.691 -2.419 91 HD21 ASN 14 HD21 ASN 14 17.379 1.995 -3.126 92 HD22 ASN 14 HD22 ASN 14 17.763 0.991 -1.772 93 H GLY 15 HN GLY 15 17.889 6.709 0.372 94 HA2 GLY 15 HA2 GLY 15 18.991 8.742 -0.177 95 HA3 GLY 15 HA1 GLY 15 17.903 8.934 -1.545 96 H LEU 16 HN LEU 16 15.743 8.036 0.469 97 HA LEU 16 HA LEU 16 15.204 10.772 1.364 98 HB2 LEU 16 HB2 LEU 16 13.492 8.509 0.475 99 HB3 LEU 16 HB1 LEU 16 12.825 9.645 1.622 100 HG LEU 16 HG LEU 16 12.146 10.297 -0.568 101 HD11 LEU 16 HD11 LEU 16 14.391 12.104 0.246 102 HD12 LEU 16 HD12 LEU 16 12.850 12.001 1.104 103 HD13 LEU 16 HD13 LEU 16 12.892 12.543 -0.579 104 HD21 LEU 16 HD21 LEU 16 15.073 10.301 -1.295 105 HD22 LEU 16 HD22 LEU 16 13.759 10.873 -2.323 106 HD23 LEU 16 HD23 LEU 16 13.854 9.169 -1.880 107 H SER 17 HN SER 17 13.936 10.997 3.328 108 HA SER 17 HA SER 17 15.021 9.406 5.480 109 HB2 SER 17 HB2 SER 17 13.144 11.773 5.407 110 HB3 SER 17 HB1 SER 17 13.742 11.032 6.883 111 HG SER 17 HG SER 17 15.695 11.680 5.050 112 HA PRO 18 HA PRO 18 12.040 6.360 6.190 113 HB2 PRO 18 HB2 PRO 18 11.432 7.718 8.791 114 HB3 PRO 18 HB1 PRO 18 11.735 6.006 8.463 115 HG2 PRO 18 HG2 PRO 18 13.677 7.461 9.480 116 HG3 PRO 18 HG1 PRO 18 14.036 6.351 8.143 117 HD2 PRO 18 HD2 PRO 18 13.730 9.316 8.102 118 HD3 PRO 18 HD1 PRO 18 14.867 8.281 7.212 119 H GLN 19 HN GLN 19 10.763 9.468 7.366 120 HA GLN 19 HA GLN 19 8.018 8.801 6.931 121 HB2 GLN 19 HB2 GLN 19 8.876 10.604 8.463 122 HB3 GLN 19 HB1 GLN 19 9.205 11.569 7.031 123 HG2 GLN 19 HG2 GLN 19 7.113 12.286 7.812 124 HG3 GLN 19 HG1 GLN 19 6.802 11.254 6.414 125 HE21 GLN 19 HE21 GLN 19 4.720 10.764 7.050 126 HE22 GLN 19 HE22 GLN 19 4.390 9.705 8.376 127 H GLN 20 HN GLN 20 10.481 10.280 4.905 128 HA GLN 20 HA GLN 20 8.683 11.147 2.845 129 HB2 GLN 20 HB2 GLN 20 11.655 10.576 2.864 130 HB3 GLN 20 HB1 GLN 20 10.802 11.184 1.450 131 HG2 GLN 20 HG2 GLN 20 11.031 12.578 4.098 132 HG3 GLN 20 HG1 GLN 20 11.970 12.944 2.664 133 HE21 GLN 20 HE21 GLN 20 9.709 12.556 0.858 134 HE22 GLN 20 HE22 GLN 20 8.699 13.943 1.064 135 H GLN 21 HN GLN 21 10.808 8.395 3.372 136 HA GLN 21 HA GLN 21 10.190 6.850 1.131 137 HB2 GLN 21 HB2 GLN 21 10.942 6.061 3.955 138 HB3 GLN 21 HB1 GLN 21 10.917 4.937 2.604 139 HG2 GLN 21 HG2 GLN 21 12.610 6.226 1.471 140 HG3 GLN 21 HG1 GLN 21 12.626 7.417 2.770 141 HE21 GLN 21 HE21 GLN 21 12.331 5.246 4.791 142 HE22 GLN 21 HE22 GLN 21 13.896 4.536 4.919 143 H GLN 22 HN GLN 22 8.543 7.373 4.123 144 HA GLN 22 HA GLN 22 6.594 5.345 3.941 145 HB2 GLN 22 HB2 GLN 22 7.364 7.146 5.796 146 HB3 GLN 22 HB1 GLN 22 5.945 7.908 5.170 147 HG2 GLN 22 HG2 GLN 22 4.636 6.039 5.683 148 HG3 GLN 22 HG1 GLN 22 6.019 5.155 6.299 149 HE21 GLN 22 HE21 GLN 22 6.944 5.858 8.271 150 HE22 GLN 22 HE22 GLN 22 6.056 6.843 9.378 151 H GLN 23 HN GLN 23 6.565 8.781 3.300 152 HA GLN 23 HA GLN 23 4.094 9.234 2.286 153 HB2 GLN 23 HB2 GLN 23 6.690 10.346 1.387 154 HB3 GLN 23 HB1 GLN 23 5.138 11.014 0.903 155 HG2 GLN 23 HG2 GLN 23 4.582 11.454 3.215 156 HG3 GLN 23 HG1 GLN 23 6.093 10.746 3.736 157 HE21 GLN 23 HE21 GLN 23 5.727 12.776 0.915 158 HE22 GLN 23 HE22 GLN 23 6.614 14.125 1.528 159 H THR 24 HN THR 24 6.829 8.001 0.390 160 HA THR 24 HA THR 24 5.601 8.032 -2.121 161 HB THR 24 HB THR 24 7.735 6.352 -0.869 162 HG1 THR 24 HG1 THR 24 7.756 8.694 -1.859 163 HG21 THR 24 HG21 THR 24 6.883 6.154 -3.762 164 HG22 THR 24 HG22 THR 24 6.489 4.952 -2.532 165 HG23 THR 24 HG23 THR 24 8.177 5.251 -2.969 166 H LEU 25 HN LEU 25 5.555 5.523 0.400 167 HA LEU 25 HA LEU 25 3.772 3.794 -1.086 168 HB2 LEU 25 HB2 LEU 25 4.345 3.952 1.858 169 HB3 LEU 25 HB1 LEU 25 3.499 2.647 1.062 170 HG LEU 25 HG LEU 25 6.302 3.296 0.261 171 HD11 LEU 25 HD11 LEU 25 7.153 1.882 2.003 172 HD12 LEU 25 HD12 LEU 25 5.523 1.539 2.583 173 HD13 LEU 25 HD13 LEU 25 6.190 3.167 2.739 174 HD21 LEU 25 HD21 LEU 25 4.648 0.775 0.374 175 HD22 LEU 25 HD22 LEU 25 6.319 0.873 -0.173 176 HD23 LEU 25 HD23 LEU 25 5.049 1.700 -1.073 177 H ALA 26 HN ALA 26 3.583 6.178 1.457 178 HA ALA 26 HA ALA 26 0.806 6.044 1.923 179 HB1 ALA 26 HB1 ALA 26 2.470 8.502 2.376 180 HB2 ALA 26 HB2 ALA 26 2.746 7.043 3.324 181 HB3 ALA 26 HB3 ALA 26 1.167 7.846 3.373 182 H THR 27 HN THR 27 2.192 6.765 -0.827 183 HA THR 27 HA THR 27 0.103 8.634 -1.669 184 HB THR 27 HB THR 27 3.003 8.431 -2.423 185 HG1 THR 27 HG1 THR 27 2.567 10.021 -0.967 186 HG21 THR 27 HG21 THR 27 1.795 8.247 -4.533 187 HG22 THR 27 HG22 THR 27 2.633 9.796 -4.400 188 HG23 THR 27 HG23 THR 27 0.888 9.714 -4.149 189 H LEU 28 HN LEU 28 2.281 6.044 -2.586 190 HA LEU 28 HA LEU 28 1.013 5.264 -4.945 191 HB2 LEU 28 HB2 LEU 28 3.198 4.594 -4.833 192 HB3 LEU 28 HB1 LEU 28 3.068 4.163 -3.145 193 HG LEU 28 HG LEU 28 1.398 2.368 -4.139 194 HD11 LEU 28 HD11 LEU 28 3.435 2.726 -6.311 195 HD12 LEU 28 HD12 LEU 28 1.712 3.079 -6.435 196 HD13 LEU 28 HD13 LEU 28 2.255 1.416 -6.192 197 HD21 LEU 28 HD21 LEU 28 4.349 2.235 -3.744 198 HD22 LEU 28 HD22 LEU 28 3.406 0.804 -4.169 199 HD23 LEU 28 HD23 LEU 28 3.044 1.694 -2.677 200 H VAL 29 HN VAL 29 0.913 4.090 -1.667 201 HA VAL 29 HA VAL 29 -0.725 1.841 -2.158 202 HB VAL 29 HB VAL 29 -0.139 3.427 0.336 203 HG11 VAL 29 HG11 VAL 29 -1.223 1.678 1.631 204 HG12 VAL 29 HG12 VAL 29 -1.691 0.843 0.151 205 HG13 VAL 29 HG13 VAL 29 -2.378 2.424 0.524 206 HG21 VAL 29 HG21 VAL 29 0.690 0.649 -0.490 207 HG22 VAL 29 HG22 VAL 29 1.257 1.559 0.912 208 HG23 VAL 29 HG23 VAL 29 1.668 2.099 -0.720 209 H ALA 30 HN ALA 30 -1.301 5.165 -1.431 210 HA ALA 30 HA ALA 30 -4.132 4.920 -1.160 211 HB1 ALA 30 HB1 ALA 30 -2.997 6.694 -0.041 212 HB2 ALA 30 HB2 ALA 30 -4.048 7.383 -1.280 213 HB3 ALA 30 HB3 ALA 30 -2.313 7.262 -1.562 214 H ALA 31 HN ALA 31 -1.847 5.683 -3.650 215 HA ALA 31 HA ALA 31 -3.627 6.396 -5.705 216 HB1 ALA 31 HB1 ALA 31 -0.862 5.190 -5.667 217 HB2 ALA 31 HB2 ALA 31 -1.320 6.859 -6.002 218 HB3 ALA 31 HB3 ALA 31 -1.696 5.593 -7.175 219 H ALA 32 HN ALA 32 -2.253 3.380 -4.616 220 HA ALA 32 HA ALA 32 -3.510 1.547 -6.249 221 HB1 ALA 32 HB1 ALA 32 -1.813 0.851 -4.756 222 HB2 ALA 32 HB2 ALA 32 -3.294 0.053 -4.215 223 HB3 ALA 32 HB3 ALA 32 -2.689 1.481 -3.362 224 H THR 33 HN THR 33 -4.684 2.939 -3.148 225 HA THR 33 HA THR 33 -7.194 1.555 -3.368 226 HB THR 33 HB THR 33 -6.601 3.947 -1.624 227 HG1 THR 33 HG1 THR 33 -5.026 2.213 -1.384 228 HG21 THR 33 HG21 THR 33 -8.903 3.447 -1.574 229 HG22 THR 33 HG22 THR 33 -8.238 2.663 -0.139 230 HG23 THR 33 HG23 THR 33 -8.609 1.708 -1.576 231 H ALA 34 HN ALA 34 -5.981 4.679 -4.349 232 HA ALA 34 HA ALA 34 -8.402 5.911 -4.986 233 HB1 ALA 34 HB1 ALA 34 -5.727 6.143 -6.390 234 HB2 ALA 34 HB2 ALA 34 -6.268 7.108 -5.016 235 HB3 ALA 34 HB3 ALA 34 -7.079 7.262 -6.577 236 H THR 35 HN THR 35 -6.473 3.491 -6.584 237 HA THR 35 HA THR 35 -7.780 3.377 -9.063 238 HB THR 35 HB THR 35 -6.039 1.567 -7.450 239 HG1 THR 35 HG1 THR 35 -5.130 3.201 -8.799 240 HG21 THR 35 HG21 THR 35 -6.174 -0.179 -9.121 241 HG22 THR 35 HG22 THR 35 -7.422 0.724 -9.981 242 HG23 THR 35 HG23 THR 35 -7.741 0.107 -8.356 243 H VAL 36 HN VAL 36 -8.123 1.455 -6.105 244 HA VAL 36 HA VAL 36 -9.894 -0.390 -7.216 245 HB VAL 36 HB VAL 36 -10.397 -0.720 -4.606 246 HG11 VAL 36 HG11 VAL 36 -7.905 -1.503 -6.079 247 HG12 VAL 36 HG12 VAL 36 -9.450 -2.364 -6.119 248 HG13 VAL 36 HG13 VAL 36 -8.521 -2.286 -4.619 249 HG21 VAL 36 HG21 VAL 36 -7.697 0.540 -4.739 250 HG22 VAL 36 HG22 VAL 36 -8.414 -0.249 -3.335 251 HG23 VAL 36 HG23 VAL 36 -9.116 1.243 -3.965 252 H LEU 37 HN LEU 37 -10.474 2.680 -5.792 253 HA LEU 37 HA LEU 37 -13.329 2.087 -5.516 254 HB2 LEU 37 HB2 LEU 37 -11.942 4.636 -4.772 255 HB3 LEU 37 HB1 LEU 37 -13.463 4.011 -4.167 256 HG LEU 37 HG LEU 37 -10.794 2.717 -3.656 257 HD11 LEU 37 HD11 LEU 37 -10.913 4.963 -2.709 258 HD12 LEU 37 HD12 LEU 37 -10.874 3.709 -1.472 259 HD13 LEU 37 HD13 LEU 37 -12.393 4.516 -1.859 260 HD21 LEU 37 HD21 LEU 37 -13.519 2.317 -2.442 261 HD22 LEU 37 HD22 LEU 37 -12.035 1.538 -1.894 262 HD23 LEU 37 HD23 LEU 37 -12.669 1.197 -3.503 263 H GLY 38 HN GLY 38 -11.547 2.889 -8.040 264 HA2 GLY 38 HA2 GLY 38 -12.165 3.756 -10.088 265 HA3 GLY 38 HA1 GLY 38 -13.746 4.105 -9.410 266 H HIS 39 HN HIS 39 -10.628 5.264 -8.271 267 HA HIS 39 HA HIS 39 -11.311 7.979 -9.184 268 HB2 HIS 39 HB2 HIS 39 -10.391 7.079 -6.456 269 HB3 HIS 39 HB1 HIS 39 -10.076 8.715 -7.019 270 HD1 HIS 39 HD1 HIS 39 -11.971 10.378 -6.877 271 HD2 HIS 39 HD2 HIS 39 -13.169 6.478 -6.066 272 HE1 HIS 39 HE1 HIS 39 -14.326 10.558 -6.018 273 HE2 HIS 39 HE2 HIS 39 -15.071 8.182 -5.644 274 H HIS 40 HN HIS 40 -9.116 9.350 -8.653 275 HA HIS 40 HA HIS 40 -6.824 7.705 -9.462 276 HB2 HIS 40 HB2 HIS 40 -7.648 8.796 -11.479 277 HB3 HIS 40 HB1 HIS 40 -7.603 10.359 -10.678 278 HD1 HIS 40 HD1 HIS 40 -5.693 11.688 -11.498 279 HD2 HIS 40 HD2 HIS 40 -4.755 7.641 -11.246 280 HE1 HIS 40 HE1 HIS 40 -3.305 11.494 -12.257 281 HE2 HIS 40 HE2 HIS 40 -2.809 9.026 -12.243 282 H THR 41 HN THR 41 -8.116 10.134 -7.456 283 HA THR 41 HA THR 41 -5.596 11.382 -6.847 284 HB THR 41 HB THR 41 -6.980 12.266 -4.866 285 HG1 THR 41 HG1 THR 41 -9.212 12.243 -5.234 286 HG21 THR 41 HG21 THR 41 -6.243 13.694 -6.633 287 HG22 THR 41 HG22 THR 41 -7.938 14.042 -6.270 288 HG23 THR 41 HG23 THR 41 -7.518 13.098 -7.702 289 HA PRO 42 HA PRO 42 -4.645 8.489 -3.506 290 HB2 PRO 42 HB2 PRO 42 -2.042 9.751 -3.576 291 HB3 PRO 42 HB1 PRO 42 -2.467 8.093 -4.002 292 HG2 PRO 42 HG2 PRO 42 -1.638 9.938 -5.829 293 HG3 PRO 42 HG1 PRO 42 -2.715 8.584 -6.215 294 HD2 PRO 42 HD2 PRO 42 -3.418 11.458 -5.696 295 HD3 PRO 42 HD1 PRO 42 -4.055 10.342 -6.924 296 H GLU 43 HN GLU 43 -4.555 11.850 -3.956 297 HA GLU 43 HA GLU 43 -3.759 12.645 -1.337 298 HB2 GLU 43 HB2 GLU 43 -5.199 14.191 -3.487 299 HB3 GLU 43 HB1 GLU 43 -4.397 14.884 -2.080 300 HG2 GLU 43 HG2 GLU 43 -2.268 14.127 -2.878 301 HG3 GLU 43 HG1 GLU 43 -3.057 13.250 -4.183 302 H SER 44 HN SER 44 -6.775 12.289 -3.095 303 HA SER 44 HA SER 44 -8.462 13.178 -0.998 304 HB2 SER 44 HB2 SER 44 -9.121 11.527 -3.425 305 HB3 SER 44 HB1 SER 44 -10.267 12.441 -2.453 306 HG SER 44 HG SER 44 -8.828 14.300 -3.034 307 H ILE 45 HN ILE 45 -6.883 10.262 -1.736 308 HA ILE 45 HA ILE 45 -8.533 8.507 -0.167 309 HB ILE 45 HB ILE 45 -5.705 8.168 -1.165 310 HG12 ILE 45 HG12 ILE 45 -7.269 8.449 -2.999 311 HG13 ILE 45 HG11 ILE 45 -6.706 6.787 -2.924 312 HG21 ILE 45 HG21 ILE 45 -7.604 6.039 -0.204 313 HG22 ILE 45 HG22 ILE 45 -6.254 6.683 0.736 314 HG23 ILE 45 HG23 ILE 45 -5.945 5.809 -0.767 315 HD11 ILE 45 HD11 ILE 45 -8.793 6.109 -1.887 316 HD12 ILE 45 HD12 ILE 45 -9.069 6.915 -3.433 317 HD13 ILE 45 HD13 ILE 45 -9.358 7.781 -1.925 318 H SER 46 HN SER 46 -8.694 9.308 1.915 319 HA SER 46 HA SER 46 -6.488 10.312 3.390 320 HB2 SER 46 HB2 SER 46 -9.042 10.661 3.783 321 HB3 SER 46 HB1 SER 46 -8.926 9.145 4.669 322 HG SER 46 HG SER 46 -7.792 11.638 5.252 323 HA PRO 47 HA PRO 47 -4.755 6.434 4.495 324 HB2 PRO 47 HB2 PRO 47 -2.836 7.257 6.103 325 HB3 PRO 47 HB1 PRO 47 -2.901 7.887 4.454 326 HG2 PRO 47 HG2 PRO 47 -3.721 9.188 7.006 327 HG3 PRO 47 HG1 PRO 47 -2.947 9.902 5.585 328 HD2 PRO 47 HD2 PRO 47 -5.716 9.900 6.198 329 HD3 PRO 47 HD1 PRO 47 -4.968 10.395 4.658 330 H ALA 48 HN ALA 48 -6.813 7.999 6.437 331 HA ALA 48 HA ALA 48 -6.333 6.239 8.710 332 HB1 ALA 48 HB1 ALA 48 -6.593 8.045 10.232 333 HB2 ALA 48 HB2 ALA 48 -7.044 9.139 8.924 334 HB3 ALA 48 HB3 ALA 48 -5.397 8.509 9.014 335 H THR 49 HN THR 49 -8.437 7.211 6.398 336 HA THR 49 HA THR 49 -10.914 7.331 7.742 337 HB THR 49 HB THR 49 -10.070 6.782 4.917 338 HG1 THR 49 HG1 THR 49 -11.706 8.806 5.046 339 HG21 THR 49 HG21 THR 49 -12.904 6.837 5.927 340 HG22 THR 49 HG22 THR 49 -12.039 5.431 5.304 341 HG23 THR 49 HG23 THR 49 -12.406 6.787 4.234 342 H ALA 50 HN ALA 50 -9.106 4.801 6.199 343 HA ALA 50 HA ALA 50 -8.949 2.559 6.784 344 HB1 ALA 50 HB1 ALA 50 -11.821 2.727 7.676 345 HB2 ALA 50 HB2 ALA 50 -10.405 2.683 8.734 346 HB3 ALA 50 HB3 ALA 50 -10.797 1.290 7.722 347 H PHE 51 HN PHE 51 -8.994 1.131 5.305 348 HA PHE 51 HA PHE 51 -10.002 1.487 2.766 349 HB2 PHE 51 HB2 PHE 51 -9.314 -1.027 4.254 350 HB3 PHE 51 HB1 PHE 51 -9.659 -0.995 2.524 351 HD1 PHE 51 HD1 PHE 51 -8.404 1.199 1.428 352 HD2 PHE 51 HD2 PHE 51 -7.127 -1.165 4.705 353 HE1 PHE 51 HE1 PHE 51 -6.088 1.880 0.997 354 HE2 PHE 51 HE2 PHE 51 -4.824 -0.479 4.306 355 HZ PHE 51 HZ PHE 51 -4.283 1.032 2.437 356 H LYS 52 HN LYS 52 -11.430 -0.380 5.405 357 HA LYS 52 HA LYS 52 -13.664 -1.355 4.139 358 HB2 LYS 52 HB2 LYS 52 -13.372 -0.250 6.942 359 HB3 LYS 52 HB1 LYS 52 -14.746 -1.205 6.392 360 HG2 LYS 52 HG2 LYS 52 -13.082 -3.013 5.816 361 HG3 LYS 52 HG1 LYS 52 -11.877 -2.047 6.658 362 HD2 LYS 52 HD2 LYS 52 -14.428 -3.065 7.871 363 HD3 LYS 52 HD1 LYS 52 -12.861 -3.845 8.053 364 HE2 LYS 52 HE2 LYS 52 -12.022 -1.721 9.063 365 HE3 LYS 52 HE1 LYS 52 -13.678 -1.117 9.014 366 HZ1 LYS 52 HZ1 LYS 52 -14.353 -2.950 10.435 367 HZ2 LYS 52 HZ2 LYS 52 -13.142 -2.039 11.181 368 HZ3 LYS 52 HZ3 LYS 52 -12.766 -3.531 10.482 369 H ASP 53 HN ASP 53 -13.062 1.761 5.605 370 HA ASP 53 HA ASP 53 -15.702 2.770 5.178 371 HB2 ASP 53 HB2 ASP 53 -13.118 3.994 6.139 372 HB3 ASP 53 HB1 ASP 53 -14.561 4.974 5.865 373 H LEU 54 HN LEU 54 -13.008 2.361 3.280 374 HA LEU 54 HA LEU 54 -13.408 4.679 1.582 375 HB2 LEU 54 HB2 LEU 54 -11.363 2.514 1.778 376 HB3 LEU 54 HB1 LEU 54 -11.457 3.475 0.323 377 HG LEU 54 HG LEU 54 -11.140 4.685 3.066 378 HD11 LEU 54 HD11 LEU 54 -9.006 3.875 1.114 379 HD12 LEU 54 HD12 LEU 54 -9.242 3.262 2.751 380 HD13 LEU 54 HD13 LEU 54 -8.753 4.937 2.497 381 HD21 LEU 54 HD21 LEU 54 -10.657 5.711 0.286 382 HD22 LEU 54 HD22 LEU 54 -10.284 6.587 1.770 383 HD23 LEU 54 HD23 LEU 54 -11.958 6.191 1.374 384 H GLY 55 HN GLY 55 -14.130 1.286 1.683 385 HA2 GLY 55 HA2 GLY 55 -15.999 0.696 0.141 386 HA3 GLY 55 HA1 GLY 55 -15.045 1.460 -1.125 387 H ILE 56 HN ILE 56 -12.838 0.085 0.772 388 HA ILE 56 HA ILE 56 -12.235 -2.074 -0.926 389 HB ILE 56 HB ILE 56 -11.361 -1.400 1.867 390 HG12 ILE 56 HG12 ILE 56 -10.179 0.073 0.624 391 HG13 ILE 56 HG11 ILE 56 -9.107 -1.304 0.483 392 HG21 ILE 56 HG21 ILE 56 -10.829 -3.812 0.274 393 HG22 ILE 56 HG22 ILE 56 -11.046 -3.607 2.017 394 HG23 ILE 56 HG23 ILE 56 -9.525 -3.138 1.245 395 HD11 ILE 56 HD11 ILE 56 -10.058 -1.838 -1.695 396 HD12 ILE 56 HD12 ILE 56 -9.382 -0.210 -1.639 397 HD13 ILE 56 HD13 ILE 56 -11.127 -0.436 -1.560 398 H ASP 57 HN ASP 57 -13.840 -3.576 -1.178 399 HA ASP 57 HA ASP 57 -14.502 -5.092 1.257 400 HB2 ASP 57 HB2 ASP 57 -16.435 -3.831 0.296 401 HB3 ASP 57 HB1 ASP 57 -16.258 -4.774 -1.181 402 H SER 58 HN SER 58 -12.796 -6.517 0.978 403 HA SER 58 HA SER 58 -11.827 -8.462 0.410 404 HB2 SER 58 HB2 SER 58 -13.254 -10.267 -0.508 405 HB3 SER 58 HB1 SER 58 -13.986 -9.435 0.860 406 HG SER 58 HG SER 58 -15.086 -8.135 -0.856 407 H LEU 59 HN LEU 59 -13.810 -8.137 -2.530 408 HA LEU 59 HA LEU 59 -11.919 -8.940 -4.387 409 HB2 LEU 59 HB2 LEU 59 -14.140 -6.913 -4.602 410 HB3 LEU 59 HB1 LEU 59 -13.249 -7.498 -5.988 411 HG LEU 59 HG LEU 59 -14.924 -9.213 -4.152 412 HD11 LEU 59 HD11 LEU 59 -16.279 -7.654 -5.413 413 HD12 LEU 59 HD12 LEU 59 -16.480 -9.289 -6.047 414 HD13 LEU 59 HD13 LEU 59 -15.467 -8.126 -6.904 415 HD21 LEU 59 HD21 LEU 59 -13.084 -10.437 -5.198 416 HD22 LEU 59 HD22 LEU 59 -13.581 -9.840 -6.780 417 HD23 LEU 59 HD23 LEU 59 -14.637 -10.923 -5.875 418 H THR 60 HN THR 60 -12.678 -5.632 -3.367 419 HA THR 60 HA THR 60 -10.536 -4.570 -4.986 420 HB THR 60 HB THR 60 -11.254 -2.405 -3.734 421 HG1 THR 60 HG1 THR 60 -13.680 -2.864 -3.285 422 HG21 THR 60 HG21 THR 60 -13.063 -3.887 -5.642 423 HG22 THR 60 HG22 THR 60 -11.674 -2.887 -6.078 424 HG23 THR 60 HG23 THR 60 -13.101 -2.145 -5.344 425 H ALA 61 HN ALA 61 -10.928 -5.752 -1.845 426 HA ALA 61 HA ALA 61 -8.616 -4.526 -0.722 427 HB1 ALA 61 HB1 ALA 61 -8.767 -6.189 1.005 428 HB2 ALA 61 HB2 ALA 61 -9.830 -7.193 0.015 429 HB3 ALA 61 HB3 ALA 61 -10.399 -5.637 0.624 430 H LEU 62 HN LEU 62 -9.226 -7.232 -2.876 431 HA LEU 62 HA LEU 62 -6.575 -8.296 -2.611 432 HB2 LEU 62 HB2 LEU 62 -8.907 -9.415 -3.248 433 HB3 LEU 62 HB1 LEU 62 -8.398 -8.966 -4.855 434 HG LEU 62 HG LEU 62 -7.563 -11.071 -4.828 435 HD11 LEU 62 HD11 LEU 62 -5.609 -9.601 -5.022 436 HD12 LEU 62 HD12 LEU 62 -5.221 -11.167 -4.308 437 HD13 LEU 62 HD13 LEU 62 -5.355 -9.738 -3.281 438 HD21 LEU 62 HD21 LEU 62 -8.487 -11.671 -2.700 439 HD22 LEU 62 HD22 LEU 62 -7.219 -10.784 -1.857 440 HD23 LEU 62 HD23 LEU 62 -6.817 -12.234 -2.777 441 H GLU 63 HN GLU 63 -8.448 -6.395 -4.970 442 HA GLU 63 HA GLU 63 -6.455 -6.077 -6.919 443 HB2 GLU 63 HB2 GLU 63 -8.482 -4.044 -5.994 444 HB3 GLU 63 HB1 GLU 63 -7.790 -4.192 -7.616 445 HG2 GLU 63 HG2 GLU 63 -9.558 -6.135 -6.225 446 HG3 GLU 63 HG1 GLU 63 -10.069 -4.995 -7.463 447 H LEU 64 HN LEU 64 -7.257 -4.391 -3.962 448 HA LEU 64 HA LEU 64 -5.318 -2.382 -4.010 449 HB2 LEU 64 HB2 LEU 64 -7.152 -3.375 -2.135 450 HB3 LEU 64 HB1 LEU 64 -5.569 -3.652 -1.415 451 HG LEU 64 HG LEU 64 -6.762 -1.018 -2.229 452 HD11 LEU 64 HD11 LEU 64 -6.732 -0.497 0.044 453 HD12 LEU 64 HD12 LEU 64 -5.605 -1.804 0.423 454 HD13 LEU 64 HD13 LEU 64 -7.285 -2.181 0.011 455 HD21 LEU 64 HD21 LEU 64 -3.958 -1.670 -1.356 456 HD22 LEU 64 HD22 LEU 64 -4.621 -0.039 -1.486 457 HD23 LEU 64 HD23 LEU 64 -4.444 -1.043 -2.929 458 H ARG 65 HN ARG 65 -5.336 -5.696 -3.055 459 HA ARG 65 HA ARG 65 -2.717 -5.787 -1.936 460 HB2 ARG 65 HB2 ARG 65 -4.390 -7.429 -1.313 461 HB3 ARG 65 HB1 ARG 65 -4.517 -7.988 -2.973 462 HG2 ARG 65 HG2 ARG 65 -1.870 -8.146 -1.613 463 HG3 ARG 65 HG1 ARG 65 -3.122 -9.305 -1.168 464 HD2 ARG 65 HD2 ARG 65 -3.299 -10.077 -3.426 465 HD3 ARG 65 HD1 ARG 65 -2.230 -8.798 -4.003 466 HE ARG 65 HE ARG 65 -0.971 -10.443 -2.040 467 HH11 ARG 65 HH11 ARG 65 -1.860 -10.310 -5.429 468 HH12 ARG 65 HH12 ARG 65 -0.586 -11.372 -5.936 469 HH21 ARG 65 HH21 ARG 65 0.704 -11.847 -2.708 470 HH22 ARG 65 HH22 ARG 65 0.870 -12.251 -4.384 471 H ASN 66 HN ASN 66 -4.064 -6.822 -4.973 472 HA ASN 66 HA ASN 66 -1.809 -7.773 -6.245 473 HB2 ASN 66 HB2 ASN 66 -4.432 -6.653 -7.148 474 HB3 ASN 66 HB1 ASN 66 -3.221 -7.067 -8.346 475 HD21 ASN 66 HD21 ASN 66 -5.859 -8.272 -7.725 476 HD22 ASN 66 HD22 ASN 66 -5.538 -9.942 -7.433 477 H THR 67 HN THR 67 -3.006 -4.446 -5.996 478 HA THR 67 HA THR 67 -1.022 -3.408 -7.771 479 HB THR 67 HB THR 67 -2.611 -1.965 -5.663 480 HG1 THR 67 HG1 THR 67 -4.071 -2.789 -7.099 481 HG21 THR 67 HG21 THR 67 -1.125 -0.928 -8.075 482 HG22 THR 67 HG22 THR 67 -0.664 -0.687 -6.388 483 HG23 THR 67 HG23 THR 67 -2.146 0.040 -7.013 484 H LEU 68 HN LEU 68 -1.402 -3.341 -4.235 485 HA LEU 68 HA LEU 68 0.901 -2.055 -3.487 486 HB2 LEU 68 HB2 LEU 68 -0.184 -4.533 -2.150 487 HB3 LEU 68 HB1 LEU 68 0.807 -3.304 -1.406 488 HG LEU 68 HG LEU 68 -1.957 -2.774 -2.453 489 HD11 LEU 68 HD11 LEU 68 -1.182 -3.253 0.408 490 HD12 LEU 68 HD12 LEU 68 -1.778 -4.535 -0.641 491 HD13 LEU 68 HD13 LEU 68 -2.800 -3.145 -0.290 492 HD21 LEU 68 HD21 LEU 68 -1.820 -0.798 -1.056 493 HD22 LEU 68 HD22 LEU 68 -0.478 -0.819 -2.201 494 HD23 LEU 68 HD23 LEU 68 -0.209 -1.263 -0.516 495 H THR 69 HN THR 69 0.518 -5.568 -3.747 496 HA THR 69 HA THR 69 3.145 -6.250 -3.208 497 HB THR 69 HB THR 69 0.735 -7.572 -4.096 498 HG1 THR 69 HG1 THR 69 3.037 -8.798 -2.986 499 HG21 THR 69 HG21 THR 69 1.685 -9.461 -5.305 500 HG22 THR 69 HG22 THR 69 3.276 -8.698 -5.281 501 HG23 THR 69 HG23 THR 69 1.959 -7.963 -6.198 502 H HIS 70 HN HIS 70 1.644 -5.289 -6.229 503 HA HIS 70 HA HIS 70 3.768 -6.127 -7.909 504 HB2 HIS 70 HB2 HIS 70 1.475 -5.779 -8.743 505 HB3 HIS 70 HB1 HIS 70 1.580 -4.081 -8.338 506 HD1 HIS 70 HD1 HIS 70 2.283 -6.476 -11.029 507 HD2 HIS 70 HD2 HIS 70 3.373 -2.591 -10.039 508 HE1 HIS 70 HE1 HIS 70 3.196 -5.469 -13.142 509 HE2 HIS 70 HE2 HIS 70 3.684 -3.071 -12.564 510 H ASN 71 HN ASN 71 2.945 -3.070 -6.352 511 HA ASN 71 HA ASN 71 5.119 -1.688 -7.627 512 HB2 ASN 71 HB2 ASN 71 3.167 -0.849 -5.519 513 HB3 ASN 71 HB1 ASN 71 4.420 0.208 -6.166 514 HD21 ASN 71 HD21 ASN 71 1.504 -1.509 -6.842 515 HD22 ASN 71 HD22 ASN 71 1.096 -0.670 -8.290 516 H THR 72 HN THR 72 4.799 -3.541 -4.774 517 HA THR 72 HA THR 72 7.197 -2.274 -3.651 518 HB THR 72 HB THR 72 6.461 -3.133 -1.477 519 HG1 THR 72 HG1 THR 72 4.008 -3.850 -2.725 520 HG21 THR 72 HG21 THR 72 4.048 -1.780 -2.599 521 HG22 THR 72 HG22 THR 72 5.591 -0.928 -2.669 522 HG23 THR 72 HG23 THR 72 4.935 -1.437 -1.111 523 H GLY 73 HN GLY 73 5.947 -5.138 -5.035 524 HA2 GLY 73 HA2 GLY 73 7.313 -6.840 -5.839 525 HA3 GLY 73 HA1 GLY 73 8.628 -6.169 -4.900 526 H LEU 74 HN LEU 74 5.932 -6.483 -3.024 527 HA LEU 74 HA LEU 74 7.167 -8.666 -1.590 528 HB2 LEU 74 HB2 LEU 74 5.915 -6.332 -0.855 529 HB3 LEU 74 HB1 LEU 74 4.701 -7.545 -0.510 530 HG LEU 74 HG LEU 74 6.329 -8.768 0.869 531 HD11 LEU 74 HD11 LEU 74 8.096 -6.551 -0.091 532 HD12 LEU 74 HD12 LEU 74 8.422 -8.284 -0.007 533 HD13 LEU 74 HD13 LEU 74 8.403 -7.318 1.472 534 HD21 LEU 74 HD21 LEU 74 4.822 -7.028 1.820 535 HD22 LEU 74 HD22 LEU 74 6.151 -5.876 1.672 536 HD23 LEU 74 HD23 LEU 74 6.311 -7.275 2.729 537 H ASP 75 HN ASP 75 5.465 -10.152 -0.453 538 HA ASP 75 HA ASP 75 3.539 -11.081 -2.454 539 HB2 ASP 75 HB2 ASP 75 5.633 -12.274 -2.865 540 HB3 ASP 75 HB1 ASP 75 5.666 -12.771 -1.181 541 H LEU 76 HN LEU 76 2.350 -9.959 -0.641 542 HA LEU 76 HA LEU 76 1.781 -11.795 1.574 543 HB2 LEU 76 HB2 LEU 76 2.279 -9.413 2.091 544 HB3 LEU 76 HB1 LEU 76 0.866 -8.947 1.166 545 HG LEU 76 HG LEU 76 -0.542 -10.249 2.768 546 HD11 LEU 76 HD11 LEU 76 1.188 -11.771 3.588 547 HD12 LEU 76 HD12 LEU 76 0.418 -10.895 4.910 548 HD13 LEU 76 HD13 LEU 76 2.019 -10.416 4.350 549 HD21 LEU 76 HD21 LEU 76 -0.270 -7.832 2.964 550 HD22 LEU 76 HD22 LEU 76 1.156 -8.072 3.972 551 HD23 LEU 76 HD23 LEU 76 -0.427 -8.593 4.546 552 HA PRO 77 HA PRO 77 -1.917 -13.054 -0.681 553 HB2 PRO 77 HB2 PRO 77 -2.655 -14.303 1.888 554 HB3 PRO 77 HB1 PRO 77 -2.382 -15.054 0.315 555 HG2 PRO 77 HG2 PRO 77 -0.652 -15.367 2.334 556 HG3 PRO 77 HG1 PRO 77 -0.110 -15.250 0.648 557 HD2 PRO 77 HD2 PRO 77 -0.099 -13.157 2.792 558 HD3 PRO 77 HD1 PRO 77 1.150 -13.550 1.591 559 HA PRO 78 HA PRO 78 -5.441 -10.581 0.626 560 HB2 PRO 78 HB2 PRO 78 -7.371 -12.434 1.396 561 HB3 PRO 78 HB1 PRO 78 -7.091 -11.862 -0.250 562 HG2 PRO 78 HG2 PRO 78 -6.131 -14.357 1.077 563 HG3 PRO 78 HG1 PRO 78 -6.715 -14.120 -0.580 564 HD2 PRO 78 HD2 PRO 78 -4.112 -14.351 -0.068 565 HD3 PRO 78 HD1 PRO 78 -4.697 -13.202 -1.288 566 H THR 79 HN THR 79 -7.374 -10.716 2.568 567 HA THR 79 HA THR 79 -7.716 -10.070 4.630 568 HB THR 79 HB THR 79 -6.912 -11.465 6.497 569 HG1 THR 79 HG1 THR 79 -5.086 -12.286 4.667 570 HG21 THR 79 HG21 THR 79 -8.952 -12.030 5.309 571 HG22 THR 79 HG22 THR 79 -8.108 -13.492 5.815 572 HG23 THR 79 HG23 THR 79 -8.028 -12.967 4.134 573 H LEU 80 HN LEU 80 -5.108 -9.188 3.210 574 HA LEU 80 HA LEU 80 -3.484 -8.292 5.383 575 HB2 LEU 80 HB2 LEU 80 -2.163 -7.161 3.783 576 HB3 LEU 80 HB1 LEU 80 -2.637 -8.682 3.061 577 HG LEU 80 HG LEU 80 -3.970 -6.044 2.441 578 HD11 LEU 80 HD11 LEU 80 -1.815 -7.525 0.944 579 HD12 LEU 80 HD12 LEU 80 -1.645 -5.970 1.759 580 HD13 LEU 80 HD13 LEU 80 -2.693 -6.117 0.348 581 HD21 LEU 80 HD21 LEU 80 -4.049 -8.689 0.993 582 HD22 LEU 80 HD22 LEU 80 -4.898 -7.211 0.538 583 HD23 LEU 80 HD23 LEU 80 -5.332 -8.054 2.020 584 H ILE 81 HN ILE 81 -6.083 -6.914 3.474 585 HA ILE 81 HA ILE 81 -5.888 -4.284 4.556 586 HB ILE 81 HB ILE 81 -8.419 -5.579 3.518 587 HG12 ILE 81 HG12 ILE 81 -6.814 -5.772 1.749 588 HG13 ILE 81 HG11 ILE 81 -7.828 -4.390 1.397 589 HG21 ILE 81 HG21 ILE 81 -7.534 -2.724 3.664 590 HG22 ILE 81 HG22 ILE 81 -8.755 -3.481 4.693 591 HG23 ILE 81 HG23 ILE 81 -9.047 -3.295 2.958 592 HD11 ILE 81 HD11 ILE 81 -6.135 -2.902 2.197 593 HD12 ILE 81 HD12 ILE 81 -5.480 -3.968 0.949 594 HD13 ILE 81 HD13 ILE 81 -5.117 -4.269 2.652 595 H PHE 82 HN PHE 82 -7.439 -7.218 5.514 596 HA PHE 82 HA PHE 82 -9.042 -6.208 7.585 597 HB2 PHE 82 HB2 PHE 82 -7.893 -8.959 7.091 598 HB3 PHE 82 HB1 PHE 82 -9.115 -8.595 8.299 599 HD1 PHE 82 HD1 PHE 82 -11.314 -8.910 7.747 600 HD2 PHE 82 HD2 PHE 82 -8.517 -8.109 4.634 601 HE1 PHE 82 HE1 PHE 82 -13.088 -9.202 6.073 602 HE2 PHE 82 HE2 PHE 82 -10.289 -8.404 2.963 603 HZ PHE 82 HZ PHE 82 -12.575 -8.947 3.672 604 H ASP 83 HN ASP 83 -5.684 -7.107 7.405 605 HA ASP 83 HA ASP 83 -5.346 -6.858 10.294 606 HB2 ASP 83 HB2 ASP 83 -4.154 -8.655 9.028 607 HB3 ASP 83 HB1 ASP 83 -3.256 -7.404 8.183 608 H HIS 84 HN HIS 84 -4.710 -5.163 7.325 609 HA HIS 84 HA HIS 84 -3.654 -2.878 8.860 610 HB2 HIS 84 HB2 HIS 84 -2.812 -3.856 6.124 611 HB3 HIS 84 HB1 HIS 84 -2.355 -2.289 6.776 612 HD1 HIS 84 HD1 HIS 84 -0.518 -2.261 8.600 613 HD2 HIS 84 HD2 HIS 84 -1.535 -6.070 7.283 614 HE1 HIS 84 HE1 HIS 84 1.257 -3.784 9.507 615 HE2 HIS 84 HE2 HIS 84 0.474 -6.100 8.906 616 HA PRO 85 HA PRO 85 -7.566 -2.031 6.764 617 HB2 PRO 85 HB2 PRO 85 -8.820 -0.759 8.736 618 HB3 PRO 85 HB1 PRO 85 -8.484 -2.492 8.836 619 HG2 PRO 85 HG2 PRO 85 -7.047 -0.206 10.123 620 HG3 PRO 85 HG1 PRO 85 -7.463 -1.792 10.800 621 HD2 PRO 85 HD2 PRO 85 -4.986 -1.098 9.753 622 HD3 PRO 85 HD1 PRO 85 -5.581 -2.757 9.962 623 H THR 86 HN THR 86 -5.125 0.221 7.301 624 HA THR 86 HA THR 86 -6.783 2.250 6.003 625 HB THR 86 HB THR 86 -5.697 4.031 7.210 626 HG1 THR 86 HG1 THR 86 -4.466 2.946 9.214 627 HG21 THR 86 HG21 THR 86 -6.777 1.926 9.083 628 HG22 THR 86 HG22 THR 86 -7.708 3.168 8.244 629 HG23 THR 86 HG23 THR 86 -6.552 3.626 9.494 630 HA PRO 87 HA PRO 87 -3.509 2.611 2.970 631 HB2 PRO 87 HB2 PRO 87 -3.672 5.549 3.347 632 HB3 PRO 87 HB1 PRO 87 -3.759 4.597 1.865 633 HG2 PRO 87 HG2 PRO 87 -5.964 5.652 2.919 634 HG3 PRO 87 HG1 PRO 87 -5.985 4.039 2.184 635 HD2 PRO 87 HD2 PRO 87 -5.986 4.806 5.075 636 HD3 PRO 87 HD1 PRO 87 -6.826 3.472 4.260 637 H HIS 88 HN HIS 88 -3.329 4.549 5.890 638 HA HIS 88 HA HIS 88 -0.534 4.864 6.041 639 HB2 HIS 88 HB2 HIS 88 -2.130 6.037 7.514 640 HB3 HIS 88 HB1 HIS 88 -2.581 4.510 8.246 641 HD1 HIS 88 HD1 HIS 88 0.720 6.380 7.765 642 HD2 HIS 88 HD2 HIS 88 -1.403 4.247 10.631 643 HE1 HIS 88 HE1 HIS 88 2.160 6.400 9.825 644 HE2 HIS 88 HE2 HIS 88 0.825 5.160 11.567 645 H ALA 89 HN ALA 89 -2.680 2.391 7.370 646 HA ALA 89 HA ALA 89 -0.856 0.709 8.581 647 HB1 ALA 89 HB1 ALA 89 -2.542 -0.975 8.456 648 HB2 ALA 89 HB2 ALA 89 -3.328 -0.148 7.104 649 HB3 ALA 89 HB3 ALA 89 -3.332 0.584 8.715 650 H LEU 90 HN LEU 90 -2.281 0.086 5.334 651 HA LEU 90 HA LEU 90 -0.675 -2.020 4.612 652 HB2 LEU 90 HB2 LEU 90 -2.004 0.143 3.047 653 HB3 LEU 90 HB1 LEU 90 -1.022 -1.053 2.221 654 HG LEU 90 HG LEU 90 -3.578 -1.411 3.722 655 HD11 LEU 90 HD11 LEU 90 -4.117 -2.523 1.490 656 HD12 LEU 90 HD12 LEU 90 -2.671 -1.700 0.906 657 HD13 LEU 90 HD13 LEU 90 -4.017 -0.767 1.554 658 HD21 LEU 90 HD21 LEU 90 -2.090 -3.231 4.365 659 HD22 LEU 90 HD22 LEU 90 -1.861 -3.620 2.659 660 HD23 LEU 90 HD23 LEU 90 -3.463 -3.767 3.395 661 H THR 91 HN THR 91 -0.044 1.427 4.161 662 HA THR 91 HA THR 91 2.427 1.265 2.896 663 HB THR 91 HB THR 91 1.248 3.274 4.818 664 HG1 THR 91 HG1 THR 91 0.282 3.566 2.935 665 HG21 THR 91 HG21 THR 91 3.108 4.811 3.956 666 HG22 THR 91 HG22 THR 91 3.959 3.322 3.537 667 HG23 THR 91 HG23 THR 91 3.517 3.643 5.211 668 H GLN 92 HN GLN 92 1.665 1.404 6.360 669 HA GLN 92 HA GLN 92 4.209 1.254 7.410 670 HB2 GLN 92 HB2 GLN 92 1.641 0.033 8.425 671 HB3 GLN 92 HB1 GLN 92 3.099 0.184 9.388 672 HG2 GLN 92 HG2 GLN 92 2.944 2.685 8.909 673 HG3 GLN 92 HG1 GLN 92 1.314 2.343 8.343 674 HE21 GLN 92 HE21 GLN 92 3.421 2.449 11.091 675 HE22 GLN 92 HE22 GLN 92 2.185 2.329 12.296 676 H HIS 93 HN HIS 93 2.151 -1.342 6.216 677 HA HIS 93 HA HIS 93 3.705 -3.513 7.066 678 HB2 HIS 93 HB2 HIS 93 1.469 -3.898 6.270 679 HB3 HIS 93 HB1 HIS 93 1.854 -3.211 4.696 680 HD1 HIS 93 HD1 HIS 93 2.698 -6.251 6.815 681 HD2 HIS 93 HD2 HIS 93 2.720 -5.012 2.837 682 HE1 HIS 93 HE1 HIS 93 3.291 -8.290 5.477 683 HE2 HIS 93 HE2 HIS 93 3.434 -7.499 3.097 684 H LEU 94 HN LEU 94 3.735 -1.807 3.923 685 HA LEU 94 HA LEU 94 5.908 -3.477 2.970 686 HB2 LEU 94 HB2 LEU 94 4.658 -1.002 1.742 687 HB3 LEU 94 HB1 LEU 94 5.653 -2.188 0.921 688 HG LEU 94 HG LEU 94 3.052 -2.960 2.211 689 HD11 LEU 94 HD11 LEU 94 3.290 -2.273 -0.693 690 HD12 LEU 94 HD12 LEU 94 2.776 -1.093 0.525 691 HD13 LEU 94 HD13 LEU 94 1.842 -2.568 0.277 692 HD21 LEU 94 HD21 LEU 94 3.140 -4.794 0.609 693 HD22 LEU 94 HD22 LEU 94 4.610 -4.750 1.576 694 HD23 LEU 94 HD23 LEU 94 4.628 -4.146 -0.086 695 H HIS 95 HN HIS 95 5.612 -0.472 4.616 696 HA HIS 95 HA HIS 95 8.200 0.562 3.826 697 HB2 HIS 95 HB2 HIS 95 6.281 2.036 4.605 698 HB3 HIS 95 HB1 HIS 95 6.496 1.357 6.208 699 HD1 HIS 95 HD1 HIS 95 8.455 2.183 7.605 700 HD2 HIS 95 HD2 HIS 95 8.311 3.890 3.804 701 HE1 HIS 95 HE1 HIS 95 10.065 4.103 7.664 702 HE2 HIS 95 HE2 HIS 95 9.752 5.258 5.456 703 H THR 96 HN THR 96 6.825 -1.554 6.149 704 HA THR 96 HA THR 96 9.130 -1.559 7.888 705 HB THR 96 HB THR 96 6.355 -2.526 7.956 706 HG1 THR 96 HG1 THR 96 6.442 -1.507 9.801 707 HG21 THR 96 HG21 THR 96 8.481 -4.155 9.329 708 HG22 THR 96 HG22 THR 96 7.478 -4.681 7.978 709 HG23 THR 96 HG23 THR 96 6.739 -4.326 9.540 710 H ARG 97 HN ARG 97 7.434 -3.731 5.647 711 HA ARG 97 HA ARG 97 9.161 -5.913 5.964 712 HB2 ARG 97 HB2 ARG 97 7.161 -5.121 3.905 713 HB3 ARG 97 HB1 ARG 97 8.173 -6.531 3.644 714 HG2 ARG 97 HG2 ARG 97 6.456 -6.079 6.053 715 HG3 ARG 97 HG1 ARG 97 5.990 -7.070 4.670 716 HD2 ARG 97 HD2 ARG 97 7.881 -8.537 5.077 717 HD3 ARG 97 HD1 ARG 97 8.408 -7.533 6.424 718 HE ARG 97 HE ARG 97 5.738 -8.463 6.785 719 HH11 ARG 97 HH11 ARG 97 9.079 -9.485 6.984 720 HH12 ARG 97 HH12 ARG 97 8.770 -10.683 8.201 721 HH21 ARG 97 HH21 ARG 97 5.328 -10.044 8.363 722 HH22 ARG 97 HH22 ARG 97 6.634 -11.000 8.988 723 H LEU 98 HN LEU 98 9.451 -3.045 4.178 724 HA LEU 98 HA LEU 98 11.378 -3.908 2.301 725 HB2 LEU 98 HB2 LEU 98 9.858 -1.784 2.476 726 HB3 LEU 98 HB1 LEU 98 11.315 -1.124 3.205 727 HG LEU 98 HG LEU 98 12.593 -1.519 1.237 728 HD11 LEU 98 HD11 LEU 98 10.272 -3.273 0.506 729 HD12 LEU 98 HD12 LEU 98 11.996 -3.663 0.526 730 HD13 LEU 98 HD13 LEU 98 11.341 -2.629 -0.743 731 HD21 LEU 98 HD21 LEU 98 11.123 0.393 1.132 732 HD22 LEU 98 HD22 LEU 98 9.842 -0.626 0.481 733 HD23 LEU 98 HD23 LEU 98 11.305 -0.344 -0.460 734 H THR 99 HN THR 99 11.542 -3.239 5.638 735 HA THR 99 HA THR 99 14.476 -3.047 5.498 736 HB THR 99 HB THR 99 13.630 -0.874 5.965 737 HG1 THR 99 HG1 THR 99 14.723 -2.159 8.258 738 HG21 THR 99 HG21 THR 99 12.109 -2.115 8.236 739 HG22 THR 99 HG22 THR 99 11.438 -1.366 6.783 740 HG23 THR 99 HG23 THR 99 12.286 -0.379 7.976 741 H GLN 100 HN GLN 100 12.161 -4.996 6.241 742 HA GLN 100 HA GLN 100 13.578 -6.167 8.534 743 HB2 GLN 100 HB2 GLN 100 10.636 -6.331 7.925 744 HB3 GLN 100 HB1 GLN 100 11.445 -7.117 9.270 745 HG2 GLN 100 HG2 GLN 100 11.605 -4.168 8.912 746 HG3 GLN 100 HG1 GLN 100 10.203 -4.912 9.646 747 HE21 GLN 100 HE21 GLN 100 10.602 -3.925 11.635 748 HE22 GLN 100 HE22 GLN 100 11.897 -4.425 12.666 749 H SER 101 HN SER 101 14.271 -6.586 5.875 750 HA SER 101 HA SER 101 13.378 -9.342 5.420 751 HB2 SER 101 HB2 SER 101 13.482 -8.719 2.919 752 HB3 SER 101 HB1 SER 101 12.096 -8.152 3.851 753 HG SER 101 HG SER 101 12.652 -6.262 3.152 754 H HIS 102 HN HIS 102 14.851 -9.937 3.202 755 HA HIS 102 HA HIS 102 17.577 -9.706 4.245 756 HB2 HIS 102 HB2 HIS 102 17.993 -11.835 2.887 757 HB3 HIS 102 HB1 HIS 102 17.054 -11.987 4.350 758 HD1 HIS 102 HD1 HIS 102 17.024 -12.991 0.915 759 HD2 HIS 102 HD2 HIS 102 14.150 -11.944 3.717 760 HE1 HIS 102 HE1 HIS 102 14.863 -13.947 0.049 761 HE2 HIS 102 HE2 HIS 102 13.114 -13.217 1.709 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 8.120 -1.487 -16.625 2 H2 GLY 1 HT2 GLY 1 6.599 -2.222 -16.547 3 H3 GLY 1 HT3 GLY 1 7.373 -2.045 -18.036 4 HA2 GLY 1 HA1 GLY 1 7.524 -4.322 -17.248 5 HA3 GLY 1 HA2 GLY 1 9.106 -3.565 -17.380 6 H ALA 2 HN ALA 2 10.390 -3.588 -15.657 7 HA ALA 2 HA ALA 2 11.187 -3.930 -13.571 8 HB1 ALA 2 HB1 ALA 2 9.821 -1.959 -13.065 9 HB2 ALA 2 HB2 ALA 2 9.917 -3.065 -11.694 10 HB3 ALA 2 HB3 ALA 2 8.458 -3.010 -12.682 11 H ALA 3 HN ALA 3 11.434 -6.157 -13.801 12 HA ALA 3 HA ALA 3 9.481 -8.091 -13.232 13 HB1 ALA 3 HB1 ALA 3 12.468 -8.261 -12.811 14 HB2 ALA 3 HB2 ALA 3 11.615 -8.632 -14.310 15 HB3 ALA 3 HB3 ALA 3 11.355 -9.626 -12.878 16 H SER 4 HN SER 4 12.002 -6.688 -11.160 17 HA SER 4 HA SER 4 10.306 -7.292 -8.839 18 HB2 SER 4 HB2 SER 4 12.581 -8.217 -8.650 19 HB3 SER 4 HB1 SER 4 13.252 -6.607 -8.904 20 HG SER 4 HG SER 4 12.440 -7.715 -6.625 21 H ALA 5 HN ALA 5 8.993 -5.599 -8.504 22 HA ALA 5 HA ALA 5 10.003 -2.913 -8.981 23 HB1 ALA 5 HB1 ALA 5 7.287 -3.795 -8.015 24 HB2 ALA 5 HB2 ALA 5 7.726 -3.459 -9.689 25 HB3 ALA 5 HB3 ALA 5 7.743 -2.162 -8.496 26 H ALA 6 HN ALA 6 10.528 -5.004 -6.638 27 HA ALA 6 HA ALA 6 10.070 -3.295 -4.339 28 HB1 ALA 6 HB1 ALA 6 11.480 -5.941 -4.682 29 HB2 ALA 6 HB2 ALA 6 9.901 -5.643 -3.945 30 HB3 ALA 6 HB3 ALA 6 11.366 -5.079 -3.146 31 H THR 7 HN THR 7 12.448 -3.963 -6.690 32 HA THR 7 HA THR 7 14.492 -2.510 -5.212 33 HB THR 7 HB THR 7 15.285 -4.492 -6.327 34 HG1 THR 7 HG1 THR 7 16.730 -2.724 -6.307 35 HG21 THR 7 HG21 THR 7 13.631 -4.690 -8.093 36 HG22 THR 7 HG22 THR 7 15.258 -4.710 -8.776 37 HG23 THR 7 HG23 THR 7 14.277 -3.249 -8.881 38 H ASP 8 HN ASP 8 11.907 -1.931 -7.279 39 HA ASP 8 HA ASP 8 13.018 0.536 -8.350 40 HB2 ASP 8 HB2 ASP 8 10.762 -1.191 -8.997 41 HB3 ASP 8 HB1 ASP 8 10.313 0.505 -8.867 42 H LEU 9 HN LEU 9 10.812 -0.783 -6.032 43 HA LEU 9 HA LEU 9 9.541 1.652 -5.350 44 HB2 LEU 9 HB2 LEU 9 8.449 -0.359 -4.719 45 HB3 LEU 9 HB1 LEU 9 9.858 -0.956 -3.877 46 HG LEU 9 HG LEU 9 9.644 0.979 -2.298 47 HD11 LEU 9 HD11 LEU 9 7.541 2.150 -2.179 48 HD12 LEU 9 HD12 LEU 9 6.905 1.225 -3.542 49 HD13 LEU 9 HD13 LEU 9 8.244 2.370 -3.791 50 HD21 LEU 9 HD21 LEU 9 8.975 -1.282 -1.756 51 HD22 LEU 9 HD22 LEU 9 7.368 -0.972 -2.398 52 HD23 LEU 9 HD23 LEU 9 7.933 -0.094 -0.982 53 H ALA 10 HN ALA 10 11.885 -0.366 -3.725 54 HA ALA 10 HA ALA 10 12.826 1.421 -1.809 55 HB1 ALA 10 HB1 ALA 10 13.438 -0.989 -1.967 56 HB2 ALA 10 HB2 ALA 10 14.818 0.075 -1.695 57 HB3 ALA 10 HB3 ALA 10 14.518 -0.587 -3.302 58 H ALA 11 HN ALA 11 13.037 1.759 -5.171 59 HA ALA 11 HA ALA 11 15.518 3.217 -5.234 60 HB1 ALA 11 HB1 ALA 11 14.867 2.029 -7.211 61 HB2 ALA 11 HB2 ALA 11 14.816 3.760 -7.554 62 HB3 ALA 11 HB3 ALA 11 13.316 2.872 -7.256 63 H ARG 12 HN ARG 12 12.008 3.945 -5.277 64 HA ARG 12 HA ARG 12 12.251 6.749 -5.282 65 HB2 ARG 12 HB2 ARG 12 10.169 4.818 -4.342 66 HB3 ARG 12 HB1 ARG 12 9.955 6.533 -4.099 67 HG2 ARG 12 HG2 ARG 12 8.760 6.041 -6.016 68 HG3 ARG 12 HG1 ARG 12 10.274 6.717 -6.614 69 HD2 ARG 12 HD2 ARG 12 11.108 4.611 -7.201 70 HD3 ARG 12 HD1 ARG 12 9.884 3.790 -6.229 71 HE ARG 12 HE ARG 12 8.362 5.027 -8.038 72 HH11 ARG 12 HH11 ARG 12 11.297 3.177 -8.490 73 HH12 ARG 12 HH12 ARG 12 10.873 2.640 -10.089 74 HH21 ARG 12 HH21 ARG 12 7.798 4.333 -10.143 75 HH22 ARG 12 HH22 ARG 12 8.893 3.323 -11.033 76 H LEU 13 HN LEU 13 12.614 4.332 -2.892 77 HA LEU 13 HA LEU 13 12.203 6.085 -0.626 78 HB2 LEU 13 HB2 LEU 13 12.774 3.181 -0.993 79 HB3 LEU 13 HB1 LEU 13 12.943 3.909 0.585 80 HG LEU 13 HG LEU 13 10.609 4.333 0.752 81 HD11 LEU 13 HD11 LEU 13 9.964 5.245 -1.258 82 HD12 LEU 13 HD12 LEU 13 9.093 3.709 -1.185 83 HD13 LEU 13 HD13 LEU 13 10.550 3.855 -2.183 84 HD21 LEU 13 HD21 LEU 13 9.608 2.142 0.441 85 HD22 LEU 13 HD22 LEU 13 11.226 2.014 1.128 86 HD23 LEU 13 HD23 LEU 13 10.964 1.665 -0.580 87 H ASN 14 HN ASN 14 14.784 4.178 -2.021 88 HA ASN 14 HA ASN 14 16.909 4.873 -0.426 89 HB2 ASN 14 HB2 ASN 14 16.486 3.980 -3.195 90 HB3 ASN 14 HB1 ASN 14 18.054 4.748 -2.894 91 HD21 ASN 14 HD21 ASN 14 17.312 1.957 -3.524 92 HD22 ASN 14 HD22 ASN 14 17.979 1.000 -2.251 93 H GLY 15 HN GLY 15 17.949 6.668 0.005 94 HA2 GLY 15 HA2 GLY 15 19.002 8.719 -0.568 95 HA3 GLY 15 HA1 GLY 15 17.883 8.884 -1.916 96 H LEU 16 HN LEU 16 15.821 7.925 0.227 97 HA LEU 16 HA LEU 16 15.220 10.664 1.077 98 HB2 LEU 16 HB2 LEU 16 13.523 8.302 0.405 99 HB3 LEU 16 HB1 LEU 16 12.897 9.525 1.480 100 HG LEU 16 HG LEU 16 12.122 9.960 -0.749 101 HD11 LEU 16 HD11 LEU 16 12.774 12.226 -0.923 102 HD12 LEU 16 HD12 LEU 16 14.319 11.903 -0.139 103 HD13 LEU 16 HD13 LEU 16 12.820 11.802 0.796 104 HD21 LEU 16 HD21 LEU 16 13.667 10.454 -2.584 105 HD22 LEU 16 HD22 LEU 16 13.866 8.800 -2.006 106 HD23 LEU 16 HD23 LEU 16 15.033 10.040 -1.547 107 H SER 17 HN SER 17 14.093 10.934 3.088 108 HA SER 17 HA SER 17 15.265 9.435 5.258 109 HB2 SER 17 HB2 SER 17 13.275 11.715 5.195 110 HB3 SER 17 HB1 SER 17 14.045 11.085 6.644 111 HG SER 17 HG SER 17 15.404 12.658 6.135 112 HA PRO 18 HA PRO 18 12.342 6.353 6.103 113 HB2 PRO 18 HB2 PRO 18 11.738 7.751 8.684 114 HB3 PRO 18 HB1 PRO 18 12.087 6.041 8.389 115 HG2 PRO 18 HG2 PRO 18 13.996 7.578 9.355 116 HG3 PRO 18 HG1 PRO 18 14.375 6.448 8.040 117 HD2 PRO 18 HD2 PRO 18 13.972 9.400 7.929 118 HD3 PRO 18 HD1 PRO 18 15.141 8.384 7.062 119 H GLN 19 HN GLN 19 11.023 9.439 7.305 120 HA GLN 19 HA GLN 19 8.303 8.794 6.924 121 HB2 GLN 19 HB2 GLN 19 9.121 10.658 8.335 122 HB3 GLN 19 HB1 GLN 19 9.565 11.526 6.873 123 HG2 GLN 19 HG2 GLN 19 7.500 12.418 7.469 124 HG3 GLN 19 HG1 GLN 19 7.147 11.271 6.179 125 HE21 GLN 19 HE21 GLN 19 6.016 9.410 6.624 126 HE22 GLN 19 HE22 GLN 19 5.189 9.161 8.122 127 H GLN 20 HN GLN 20 10.707 10.166 4.761 128 HA GLN 20 HA GLN 20 8.832 10.970 2.752 129 HB2 GLN 20 HB2 GLN 20 11.817 10.571 2.706 130 HB3 GLN 20 HB1 GLN 20 10.899 11.185 1.331 131 HG2 GLN 20 HG2 GLN 20 10.070 13.011 2.856 132 HG3 GLN 20 HG1 GLN 20 11.243 12.434 4.026 133 HE21 GLN 20 HE21 GLN 20 10.768 14.083 1.035 134 HE22 GLN 20 HE22 GLN 20 12.383 14.685 0.875 135 H GLN 21 HN GLN 21 11.024 8.275 3.244 136 HA GLN 21 HA GLN 21 10.455 6.748 0.987 137 HB2 GLN 21 HB2 GLN 21 11.087 5.912 3.829 138 HB3 GLN 21 HB1 GLN 21 11.110 4.815 2.458 139 HG2 GLN 21 HG2 GLN 21 12.911 5.985 1.456 140 HG3 GLN 21 HG1 GLN 21 12.817 7.287 2.645 141 HE21 GLN 21 HE21 GLN 21 13.849 4.035 2.012 142 HE22 GLN 21 HE22 GLN 21 14.792 3.833 3.442 143 H GLN 22 HN GLN 22 8.787 7.143 4.018 144 HA GLN 22 HA GLN 22 6.817 5.148 3.615 145 HB2 GLN 22 HB2 GLN 22 7.526 6.244 5.793 146 HB3 GLN 22 HB1 GLN 22 6.528 7.592 5.298 147 HG2 GLN 22 HG2 GLN 22 5.022 5.218 5.031 148 HG3 GLN 22 HG1 GLN 22 5.784 5.244 6.615 149 HE21 GLN 22 HE21 GLN 22 3.857 5.538 7.695 150 HE22 GLN 22 HE22 GLN 22 2.987 7.033 7.650 151 H GLN 23 HN GLN 23 6.890 8.651 3.086 152 HA GLN 23 HA GLN 23 4.335 9.132 2.244 153 HB2 GLN 23 HB2 GLN 23 6.905 10.267 1.289 154 HB3 GLN 23 HB1 GLN 23 5.343 10.940 0.850 155 HG2 GLN 23 HG2 GLN 23 4.844 11.412 3.140 156 HG3 GLN 23 HG1 GLN 23 6.300 10.600 3.670 157 HE21 GLN 23 HE21 GLN 23 5.378 13.365 4.060 158 HE22 GLN 23 HE22 GLN 23 6.650 14.370 3.457 159 H THR 24 HN THR 24 7.014 7.957 0.244 160 HA THR 24 HA THR 24 5.710 7.975 -2.227 161 HB THR 24 HB THR 24 7.917 6.361 -1.039 162 HG1 THR 24 HG1 THR 24 8.114 8.575 -1.899 163 HG21 THR 24 HG21 THR 24 6.929 5.981 -3.867 164 HG22 THR 24 HG22 THR 24 6.580 4.860 -2.550 165 HG23 THR 24 HG23 THR 24 8.251 5.125 -3.066 166 H LEU 25 HN LEU 25 5.697 5.482 0.310 167 HA LEU 25 HA LEU 25 3.892 3.747 -1.151 168 HB2 LEU 25 HB2 LEU 25 4.477 3.909 1.791 169 HB3 LEU 25 HB1 LEU 25 3.665 2.589 0.983 170 HG LEU 25 HG LEU 25 6.456 3.314 0.203 171 HD11 LEU 25 HD11 LEU 25 6.374 3.163 2.666 172 HD12 LEU 25 HD12 LEU 25 7.322 1.868 1.927 173 HD13 LEU 25 HD13 LEU 25 5.692 1.542 2.522 174 HD21 LEU 25 HD21 LEU 25 5.268 1.703 -1.161 175 HD22 LEU 25 HD22 LEU 25 4.853 0.758 0.268 176 HD23 LEU 25 HD23 LEU 25 6.532 0.888 -0.243 177 H ALA 26 HN ALA 26 3.738 6.133 1.394 178 HA ALA 26 HA ALA 26 0.973 6.014 1.915 179 HB1 ALA 26 HB1 ALA 26 1.379 7.809 3.351 180 HB2 ALA 26 HB2 ALA 26 2.644 8.471 2.315 181 HB3 ALA 26 HB3 ALA 26 2.960 7.013 3.260 182 H THR 27 HN THR 27 2.332 6.762 -0.852 183 HA THR 27 HA THR 27 0.244 8.650 -1.656 184 HB THR 27 HB THR 27 3.106 8.307 -2.524 185 HG1 THR 27 HG1 THR 27 2.446 9.865 -0.884 186 HG21 THR 27 HG21 THR 27 0.977 9.740 -4.105 187 HG22 THR 27 HG22 THR 27 1.810 8.253 -4.574 188 HG23 THR 27 HG23 THR 27 2.711 9.767 -4.437 189 H LEU 28 HN LEU 28 2.329 6.026 -2.604 190 HA LEU 28 HA LEU 28 1.024 5.283 -4.961 191 HB2 LEU 28 HB2 LEU 28 3.197 4.576 -4.889 192 HB3 LEU 28 HB1 LEU 28 3.090 4.141 -3.199 193 HG LEU 28 HG LEU 28 1.374 2.383 -4.150 194 HD11 LEU 28 HD11 LEU 28 1.651 3.144 -6.454 195 HD12 LEU 28 HD12 LEU 28 2.079 1.444 -6.242 196 HD13 LEU 28 HD13 LEU 28 3.348 2.666 -6.389 197 HD21 LEU 28 HD21 LEU 28 3.069 1.695 -2.748 198 HD22 LEU 28 HD22 LEU 28 4.336 2.182 -3.887 199 HD23 LEU 28 HD23 LEU 28 3.327 0.775 -4.242 200 H VAL 29 HN VAL 29 0.929 4.136 -1.683 201 HA VAL 29 HA VAL 29 -0.702 1.876 -2.173 202 HB VAL 29 HB VAL 29 -0.077 3.427 0.331 203 HG11 VAL 29 HG11 VAL 29 -1.588 0.820 0.156 204 HG12 VAL 29 HG12 VAL 29 -2.323 2.387 0.491 205 HG13 VAL 29 HG13 VAL 29 -1.156 1.698 1.625 206 HG21 VAL 29 HG21 VAL 29 0.749 0.670 -0.562 207 HG22 VAL 29 HG22 VAL 29 1.334 1.552 0.850 208 HG23 VAL 29 HG23 VAL 29 1.717 2.128 -0.775 209 H ALA 30 HN ALA 30 -1.289 5.206 -1.426 210 HA ALA 30 HA ALA 30 -4.116 4.894 -1.097 211 HB1 ALA 30 HB1 ALA 30 -2.364 7.298 -1.473 212 HB2 ALA 30 HB2 ALA 30 -2.990 6.665 0.052 213 HB3 ALA 30 HB3 ALA 30 -4.092 7.357 -1.141 214 H ALA 31 HN ALA 31 -1.867 5.774 -3.575 215 HA ALA 31 HA ALA 31 -3.639 6.486 -5.624 216 HB1 ALA 31 HB1 ALA 31 -1.700 5.649 -7.091 217 HB2 ALA 31 HB2 ALA 31 -0.869 5.298 -5.564 218 HB3 ALA 31 HB3 ALA 31 -1.349 6.950 -5.952 219 H ALA 32 HN ALA 32 -2.285 3.459 -4.545 220 HA ALA 32 HA ALA 32 -3.520 1.650 -6.229 221 HB1 ALA 32 HB1 ALA 32 -1.817 0.922 -4.778 222 HB2 ALA 32 HB2 ALA 32 -3.287 0.121 -4.211 223 HB3 ALA 32 HB3 ALA 32 -2.660 1.539 -3.359 224 H THR 33 HN THR 33 -4.714 2.975 -3.102 225 HA THR 33 HA THR 33 -7.198 1.521 -3.396 226 HB THR 33 HB THR 33 -6.700 3.797 -1.474 227 HG1 THR 33 HG1 THR 33 -5.034 2.177 -1.292 228 HG21 THR 33 HG21 THR 33 -8.976 3.184 -1.475 229 HG22 THR 33 HG22 THR 33 -8.281 2.321 -0.098 230 HG23 THR 33 HG23 THR 33 -8.599 1.466 -1.611 231 H ALA 34 HN ALA 34 -5.974 4.599 -4.360 232 HA ALA 34 HA ALA 34 -8.447 5.835 -4.918 233 HB1 ALA 34 HB1 ALA 34 -5.779 6.170 -6.309 234 HB2 ALA 34 HB2 ALA 34 -6.328 7.070 -4.894 235 HB3 ALA 34 HB3 ALA 34 -7.157 7.267 -6.441 236 H THR 35 HN THR 35 -6.343 3.636 -6.627 237 HA THR 35 HA THR 35 -7.693 3.500 -9.076 238 HB THR 35 HB THR 35 -5.641 1.942 -7.632 239 HG1 THR 35 HG1 THR 35 -5.853 3.499 -9.820 240 HG21 THR 35 HG21 THR 35 -7.083 0.714 -9.968 241 HG22 THR 35 HG22 THR 35 -7.307 0.240 -8.280 242 HG23 THR 35 HG23 THR 35 -5.731 0.030 -9.058 243 H VAL 36 HN VAL 36 -7.887 1.453 -6.161 244 HA VAL 36 HA VAL 36 -9.541 -0.515 -7.203 245 HB VAL 36 HB VAL 36 -10.164 -1.018 -4.849 246 HG11 VAL 36 HG11 VAL 36 -7.771 -1.371 -4.056 247 HG12 VAL 36 HG12 VAL 36 -7.315 -0.715 -5.632 248 HG13 VAL 36 HG13 VAL 36 -8.310 -2.174 -5.526 249 HG21 VAL 36 HG21 VAL 36 -8.744 0.268 -3.151 250 HG22 VAL 36 HG22 VAL 36 -10.300 0.901 -3.677 251 HG23 VAL 36 HG23 VAL 36 -8.810 1.550 -4.361 252 H LEU 37 HN LEU 37 -10.384 2.602 -5.813 253 HA LEU 37 HA LEU 37 -13.216 1.918 -5.823 254 HB2 LEU 37 HB2 LEU 37 -11.969 4.551 -5.101 255 HB3 LEU 37 HB1 LEU 37 -13.539 3.939 -4.626 256 HG LEU 37 HG LEU 37 -10.929 2.719 -3.756 257 HD11 LEU 37 HD11 LEU 37 -12.714 4.653 -2.304 258 HD12 LEU 37 HD12 LEU 37 -11.100 4.982 -2.935 259 HD13 LEU 37 HD13 LEU 37 -11.314 3.824 -1.623 260 HD21 LEU 37 HD21 LEU 37 -12.301 1.579 -2.098 261 HD22 LEU 37 HD22 LEU 37 -12.854 1.209 -3.731 262 HD23 LEU 37 HD23 LEU 37 -13.744 2.366 -2.744 263 H GLY 38 HN GLY 38 -11.340 2.581 -8.271 264 HA2 GLY 38 HA2 GLY 38 -11.814 3.332 -10.395 265 HA3 GLY 38 HA1 GLY 38 -13.439 3.703 -9.846 266 H HIS 39 HN HIS 39 -10.643 5.038 -8.275 267 HA HIS 39 HA HIS 39 -11.152 7.640 -9.568 268 HB2 HIS 39 HB2 HIS 39 -10.412 7.024 -6.697 269 HB3 HIS 39 HB1 HIS 39 -10.239 8.628 -7.395 270 HD1 HIS 39 HD1 HIS 39 -12.255 10.103 -7.317 271 HD2 HIS 39 HD2 HIS 39 -13.189 6.111 -6.627 272 HE1 HIS 39 HE1 HIS 39 -14.679 10.081 -6.668 273 HE2 HIS 39 HE2 HIS 39 -15.264 7.644 -6.432 274 H HIS 40 HN HIS 40 -8.975 9.038 -8.820 275 HA HIS 40 HA HIS 40 -6.625 7.355 -9.214 276 HB2 HIS 40 HB2 HIS 40 -7.460 8.152 -11.469 277 HB3 HIS 40 HB1 HIS 40 -7.097 9.791 -10.942 278 HD1 HIS 40 HD1 HIS 40 -4.880 10.587 -11.687 279 HD2 HIS 40 HD2 HIS 40 -4.964 6.456 -11.225 280 HE1 HIS 40 HE1 HIS 40 -2.608 9.779 -12.393 281 HE2 HIS 40 HE2 HIS 40 -2.741 7.269 -12.265 282 H THR 41 HN THR 41 -8.075 9.515 -7.355 283 HA THR 41 HA THR 41 -5.707 11.162 -6.883 284 HB THR 41 HB THR 41 -7.273 12.247 -5.170 285 HG1 THR 41 HG1 THR 41 -9.405 11.662 -6.828 286 HG21 THR 41 HG21 THR 41 -8.232 13.720 -6.924 287 HG22 THR 41 HG22 THR 41 -7.627 12.588 -8.137 288 HG23 THR 41 HG23 THR 41 -6.498 13.439 -7.079 289 HA PRO 42 HA PRO 42 -4.894 8.616 -3.252 290 HB2 PRO 42 HB2 PRO 42 -2.383 10.074 -3.186 291 HB3 PRO 42 HB1 PRO 42 -2.652 8.357 -3.492 292 HG2 PRO 42 HG2 PRO 42 -1.783 10.083 -5.410 293 HG3 PRO 42 HG1 PRO 42 -2.749 8.636 -5.760 294 HD2 PRO 42 HD2 PRO 42 -3.645 11.496 -5.556 295 HD3 PRO 42 HD1 PRO 42 -4.113 10.248 -6.729 296 H GLU 43 HN GLU 43 -5.022 11.953 -3.890 297 HA GLU 43 HA GLU 43 -4.545 12.967 -1.284 298 HB2 GLU 43 HB2 GLU 43 -6.064 14.176 -3.587 299 HB3 GLU 43 HB1 GLU 43 -5.509 15.046 -2.161 300 HG2 GLU 43 HG2 GLU 43 -3.219 14.611 -2.757 301 HG3 GLU 43 HG1 GLU 43 -3.758 13.613 -4.105 302 H SER 44 HN SER 44 -7.338 11.899 -3.080 303 HA SER 44 HA SER 44 -9.246 12.709 -1.094 304 HB2 SER 44 HB2 SER 44 -9.694 12.509 -3.594 305 HB3 SER 44 HB1 SER 44 -9.688 10.769 -3.347 306 HG SER 44 HG SER 44 -11.450 12.676 -2.217 307 H ILE 45 HN ILE 45 -7.194 10.072 -1.663 308 HA ILE 45 HA ILE 45 -8.659 8.174 -0.047 309 HB ILE 45 HB ILE 45 -5.852 8.001 -1.136 310 HG12 ILE 45 HG12 ILE 45 -7.444 8.244 -2.949 311 HG13 ILE 45 HG11 ILE 45 -6.834 6.598 -2.899 312 HG21 ILE 45 HG21 ILE 45 -5.915 5.678 -0.686 313 HG22 ILE 45 HG22 ILE 45 -7.632 5.736 -0.278 314 HG23 ILE 45 HG23 ILE 45 -6.447 6.488 0.793 315 HD11 ILE 45 HD11 ILE 45 -8.883 5.837 -1.868 316 HD12 ILE 45 HD12 ILE 45 -9.219 6.696 -3.373 317 HD13 ILE 45 HD13 ILE 45 -9.494 7.492 -1.825 318 H SER 46 HN SER 46 -8.775 9.346 1.923 319 HA SER 46 HA SER 46 -6.498 10.313 3.293 320 HB2 SER 46 HB2 SER 46 -9.022 10.809 3.712 321 HB3 SER 46 HB1 SER 46 -8.963 9.347 4.690 322 HG SER 46 HG SER 46 -7.894 11.844 5.174 323 HA PRO 47 HA PRO 47 -4.834 6.464 4.490 324 HB2 PRO 47 HB2 PRO 47 -2.911 7.261 6.114 325 HB3 PRO 47 HB1 PRO 47 -2.949 7.874 4.461 326 HG2 PRO 47 HG2 PRO 47 -3.774 9.215 6.991 327 HG3 PRO 47 HG1 PRO 47 -2.957 9.898 5.580 328 HD2 PRO 47 HD2 PRO 47 -5.722 9.992 6.142 329 HD3 PRO 47 HD1 PRO 47 -4.946 10.413 4.592 330 H ALA 48 HN ALA 48 -6.757 8.186 6.482 331 HA ALA 48 HA ALA 48 -6.414 6.324 8.692 332 HB1 ALA 48 HB1 ALA 48 -7.063 9.230 8.986 333 HB2 ALA 48 HB2 ALA 48 -5.424 8.580 9.034 334 HB3 ALA 48 HB3 ALA 48 -6.609 8.087 10.255 335 H THR 49 HN THR 49 -8.394 7.182 6.306 336 HA THR 49 HA THR 49 -10.936 7.365 7.505 337 HB THR 49 HB THR 49 -9.969 6.525 4.778 338 HG1 THR 49 HG1 THR 49 -10.930 8.558 4.214 339 HG21 THR 49 HG21 THR 49 -12.820 6.847 5.677 340 HG22 THR 49 HG22 THR 49 -12.023 5.338 5.231 341 HG23 THR 49 HG23 THR 49 -12.281 6.594 4.016 342 H ALA 50 HN ALA 50 -9.100 4.738 6.123 343 HA ALA 50 HA ALA 50 -8.934 2.525 6.837 344 HB1 ALA 50 HB1 ALA 50 -11.819 2.691 7.693 345 HB2 ALA 50 HB2 ALA 50 -10.429 2.802 8.779 346 HB3 ALA 50 HB3 ALA 50 -10.730 1.313 7.882 347 H PHE 51 HN PHE 51 -9.042 0.969 5.445 348 HA PHE 51 HA PHE 51 -10.022 1.256 2.880 349 HB2 PHE 51 HB2 PHE 51 -9.455 -1.233 4.468 350 HB3 PHE 51 HB1 PHE 51 -9.752 -1.240 2.725 351 HD1 PHE 51 HD1 PHE 51 -8.403 0.923 1.654 352 HD2 PHE 51 HD2 PHE 51 -7.269 -1.491 4.946 353 HE1 PHE 51 HE1 PHE 51 -6.060 1.412 1.191 354 HE2 PHE 51 HE2 PHE 51 -4.904 -0.992 4.517 355 HZ PHE 51 HZ PHE 51 -4.321 0.680 2.780 356 H LYS 52 HN LYS 52 -11.513 -0.476 5.568 357 HA LYS 52 HA LYS 52 -13.807 -1.382 4.404 358 HB2 LYS 52 HB2 LYS 52 -13.499 -0.048 7.105 359 HB3 LYS 52 HB1 LYS 52 -14.858 -1.058 6.633 360 HG2 LYS 52 HG2 LYS 52 -13.290 -2.949 6.365 361 HG3 LYS 52 HG1 LYS 52 -11.983 -1.911 6.923 362 HD2 LYS 52 HD2 LYS 52 -14.446 -2.645 8.485 363 HD3 LYS 52 HD1 LYS 52 -12.840 -3.329 8.729 364 HE2 LYS 52 HE2 LYS 52 -12.015 -1.059 9.267 365 HE3 LYS 52 HE1 LYS 52 -13.663 -0.461 9.093 366 HZ1 LYS 52 HZ1 LYS 52 -13.041 -0.879 11.412 367 HZ2 LYS 52 HZ2 LYS 52 -12.828 -2.517 11.059 368 HZ3 LYS 52 HZ3 LYS 52 -14.360 -1.814 10.924 369 H ASP 53 HN ASP 53 -13.076 1.804 5.680 370 HA ASP 53 HA ASP 53 -15.702 2.830 5.186 371 HB2 ASP 53 HB2 ASP 53 -13.145 4.016 6.261 372 HB3 ASP 53 HB1 ASP 53 -14.558 5.019 5.921 373 H LEU 54 HN LEU 54 -12.909 2.432 3.390 374 HA LEU 54 HA LEU 54 -13.194 4.763 1.698 375 HB2 LEU 54 HB2 LEU 54 -11.302 2.460 1.869 376 HB3 LEU 54 HB1 LEU 54 -11.340 3.419 0.409 377 HG LEU 54 HG LEU 54 -10.926 4.640 3.132 378 HD11 LEU 54 HD11 LEU 54 -9.174 3.015 2.839 379 HD12 LEU 54 HD12 LEU 54 -8.526 4.640 2.614 380 HD13 LEU 54 HD13 LEU 54 -8.849 3.619 1.214 381 HD21 LEU 54 HD21 LEU 54 -11.588 6.163 1.376 382 HD22 LEU 54 HD22 LEU 54 -10.309 5.544 0.333 383 HD23 LEU 54 HD23 LEU 54 -9.896 6.426 1.802 384 H GLY 55 HN GLY 55 -14.054 1.405 1.730 385 HA2 GLY 55 HA2 GLY 55 -15.962 0.908 0.204 386 HA3 GLY 55 HA1 GLY 55 -14.992 1.649 -1.061 387 H ILE 56 HN ILE 56 -12.942 0.082 0.978 388 HA ILE 56 HA ILE 56 -12.345 -2.007 -0.837 389 HB ILE 56 HB ILE 56 -11.505 -1.438 1.988 390 HG12 ILE 56 HG12 ILE 56 -10.100 -0.154 0.809 391 HG13 ILE 56 HG11 ILE 56 -9.225 -1.658 0.627 392 HG21 ILE 56 HG21 ILE 56 -11.374 -3.645 2.245 393 HG22 ILE 56 HG22 ILE 56 -9.829 -3.384 1.420 394 HG23 ILE 56 HG23 ILE 56 -11.231 -3.951 0.514 395 HD11 ILE 56 HD11 ILE 56 -10.379 -1.998 -1.541 396 HD12 ILE 56 HD12 ILE 56 -9.303 -0.604 -1.478 397 HD13 ILE 56 HD13 ILE 56 -11.047 -0.367 -1.369 398 H ASP 57 HN ASP 57 -13.246 -3.962 -1.037 399 HA ASP 57 HA ASP 57 -14.539 -5.251 1.199 400 HB2 ASP 57 HB2 ASP 57 -16.295 -3.709 0.204 401 HB3 ASP 57 HB1 ASP 57 -16.229 -4.707 -1.245 402 H SER 58 HN SER 58 -12.745 -6.632 0.693 403 HA SER 58 HA SER 58 -12.003 -8.663 0.022 404 HB2 SER 58 HB2 SER 58 -14.541 -8.958 -1.518 405 HB3 SER 58 HB1 SER 58 -13.476 -10.250 -0.998 406 HG SER 58 HG SER 58 -14.253 -8.709 1.092 407 H LEU 59 HN LEU 59 -13.828 -7.617 -2.827 408 HA LEU 59 HA LEU 59 -11.996 -8.557 -4.734 409 HB2 LEU 59 HB2 LEU 59 -14.029 -6.337 -4.870 410 HB3 LEU 59 HB1 LEU 59 -13.119 -6.887 -6.251 411 HG LEU 59 HG LEU 59 -14.190 -9.064 -6.158 412 HD11 LEU 59 HD11 LEU 59 -15.996 -9.539 -4.606 413 HD12 LEU 59 HD12 LEU 59 -15.718 -7.998 -3.794 414 HD13 LEU 59 HD13 LEU 59 -14.484 -9.257 -3.744 415 HD21 LEU 59 HD21 LEU 59 -16.471 -8.345 -6.693 416 HD22 LEU 59 HD22 LEU 59 -15.257 -7.292 -7.420 417 HD23 LEU 59 HD23 LEU 59 -16.127 -6.771 -5.978 418 H THR 60 HN THR 60 -12.546 -5.316 -3.462 419 HA THR 60 HA THR 60 -10.353 -4.264 -4.996 420 HB THR 60 HB THR 60 -10.948 -2.174 -3.545 421 HG1 THR 60 HG1 THR 60 -13.471 -2.629 -3.302 422 HG21 THR 60 HG21 THR 60 -12.835 -3.272 -5.633 423 HG22 THR 60 HG22 THR 60 -11.301 -2.463 -5.969 424 HG23 THR 60 HG23 THR 60 -12.625 -1.572 -5.202 425 H ALA 61 HN ALA 61 -10.764 -5.772 -2.025 426 HA ALA 61 HA ALA 61 -8.452 -4.577 -0.771 427 HB1 ALA 61 HB1 ALA 61 -8.713 -6.253 0.943 428 HB2 ALA 61 HB2 ALA 61 -9.861 -7.149 -0.058 429 HB3 ALA 61 HB3 ALA 61 -10.291 -5.554 0.563 430 H LEU 62 HN LEU 62 -9.247 -7.486 -2.626 431 HA LEU 62 HA LEU 62 -6.601 -8.500 -2.620 432 HB2 LEU 62 HB2 LEU 62 -8.955 -9.577 -3.210 433 HB3 LEU 62 HB1 LEU 62 -8.516 -9.055 -4.816 434 HG LEU 62 HG LEU 62 -7.696 -11.166 -4.920 435 HD11 LEU 62 HD11 LEU 62 -5.418 -9.814 -3.493 436 HD12 LEU 62 HD12 LEU 62 -5.762 -9.745 -5.222 437 HD13 LEU 62 HD13 LEU 62 -5.310 -11.278 -4.476 438 HD21 LEU 62 HD21 LEU 62 -7.096 -11.042 -1.970 439 HD22 LEU 62 HD22 LEU 62 -6.882 -12.453 -3.006 440 HD23 LEU 62 HD23 LEU 62 -8.497 -11.808 -2.717 441 H GLU 63 HN GLU 63 -8.526 -6.514 -4.917 442 HA GLU 63 HA GLU 63 -6.514 -6.278 -6.841 443 HB2 GLU 63 HB2 GLU 63 -8.637 -5.718 -7.566 444 HB3 GLU 63 HB1 GLU 63 -9.035 -4.883 -6.075 445 HG2 GLU 63 HG2 GLU 63 -8.897 -3.231 -7.705 446 HG3 GLU 63 HG1 GLU 63 -7.417 -3.149 -6.751 447 H LEU 64 HN LEU 64 -7.272 -4.474 -3.874 448 HA LEU 64 HA LEU 64 -5.319 -2.485 -4.066 449 HB2 LEU 64 HB2 LEU 64 -7.033 -3.466 -2.048 450 HB3 LEU 64 HB1 LEU 64 -5.398 -3.650 -1.425 451 HG LEU 64 HG LEU 64 -6.678 -1.080 -2.342 452 HD11 LEU 64 HD11 LEU 64 -6.042 -2.288 0.321 453 HD12 LEU 64 HD12 LEU 64 -7.527 -1.490 -0.215 454 HD13 LEU 64 HD13 LEU 64 -6.075 -0.536 0.123 455 HD21 LEU 64 HD21 LEU 64 -3.909 -1.605 -1.287 456 HD22 LEU 64 HD22 LEU 64 -4.597 -0.018 -1.643 457 HD23 LEU 64 HD23 LEU 64 -4.313 -1.174 -2.947 458 H ARG 65 HN ARG 65 -5.284 -5.732 -2.937 459 HA ARG 65 HA ARG 65 -2.646 -5.938 -2.021 460 HB2 ARG 65 HB2 ARG 65 -4.288 -7.566 -1.368 461 HB3 ARG 65 HB1 ARG 65 -4.591 -8.018 -3.038 462 HG2 ARG 65 HG2 ARG 65 -1.870 -8.431 -1.860 463 HG3 ARG 65 HG1 ARG 65 -3.174 -9.552 -1.472 464 HD2 ARG 65 HD2 ARG 65 -3.516 -9.660 -4.039 465 HD3 ARG 65 HD1 ARG 65 -1.893 -8.982 -4.123 466 HE ARG 65 HE ARG 65 -1.492 -11.062 -2.511 467 HH11 ARG 65 HH11 ARG 65 -3.177 -10.820 -5.575 468 HH12 ARG 65 HH12 ARG 65 -2.936 -12.488 -5.982 469 HH21 ARG 65 HH21 ARG 65 -1.146 -13.262 -3.066 470 HH22 ARG 65 HH22 ARG 65 -1.796 -13.876 -4.556 471 H ASN 66 HN ASN 66 -4.121 -6.864 -5.039 472 HA ASN 66 HA ASN 66 -1.906 -7.772 -6.420 473 HB2 ASN 66 HB2 ASN 66 -4.545 -6.607 -7.240 474 HB3 ASN 66 HB1 ASN 66 -3.366 -7.067 -8.457 475 HD21 ASN 66 HD21 ASN 66 -6.044 -8.199 -7.720 476 HD22 ASN 66 HD22 ASN 66 -5.742 -9.880 -7.459 477 H THR 67 HN THR 67 -3.142 -4.451 -6.108 478 HA THR 67 HA THR 67 -1.193 -3.374 -7.895 479 HB THR 67 HB THR 67 -2.752 -1.968 -5.741 480 HG1 THR 67 HG1 THR 67 -4.156 -2.861 -7.277 481 HG21 THR 67 HG21 THR 67 -1.264 -0.881 -8.134 482 HG22 THR 67 HG22 THR 67 -0.797 -0.685 -6.443 483 HG23 THR 67 HG23 THR 67 -2.276 0.067 -7.044 484 H LEU 68 HN LEU 68 -1.501 -3.377 -4.357 485 HA LEU 68 HA LEU 68 0.759 -2.012 -3.636 486 HB2 LEU 68 HB2 LEU 68 -0.222 -4.537 -2.310 487 HB3 LEU 68 HB1 LEU 68 0.770 -3.303 -1.574 488 HG LEU 68 HG LEU 68 -2.035 -2.806 -2.530 489 HD11 LEU 68 HD11 LEU 68 -2.806 -3.223 -0.348 490 HD12 LEU 68 HD12 LEU 68 -1.170 -3.314 0.301 491 HD13 LEU 68 HD13 LEU 68 -1.774 -4.594 -0.750 492 HD21 LEU 68 HD21 LEU 68 -0.251 -1.290 -0.628 493 HD22 LEU 68 HD22 LEU 68 -1.889 -0.846 -1.108 494 HD23 LEU 68 HD23 LEU 68 -0.587 -0.830 -2.296 495 H THR 69 HN THR 69 0.526 -5.541 -3.977 496 HA THR 69 HA THR 69 3.237 -5.977 -3.385 497 HB THR 69 HB THR 69 1.421 -7.683 -3.165 498 HG1 THR 69 HG1 THR 69 3.598 -8.543 -4.797 499 HG21 THR 69 HG21 THR 69 0.745 -8.981 -5.097 500 HG22 THR 69 HG22 THR 69 1.767 -8.003 -6.150 501 HG23 THR 69 HG23 THR 69 0.357 -7.282 -5.370 502 H HIS 70 HN HIS 70 1.594 -5.202 -6.357 503 HA HIS 70 HA HIS 70 3.681 -6.043 -8.084 504 HB2 HIS 70 HB2 HIS 70 1.333 -5.671 -8.840 505 HB3 HIS 70 HB1 HIS 70 1.538 -3.953 -8.542 506 HD1 HIS 70 HD1 HIS 70 2.437 -6.650 -10.964 507 HD2 HIS 70 HD2 HIS 70 3.052 -2.571 -10.447 508 HE1 HIS 70 HE1 HIS 70 3.370 -5.825 -13.148 509 HE2 HIS 70 HE2 HIS 70 3.561 -3.328 -12.867 510 H ASN 71 HN ASN 71 2.837 -3.011 -6.515 511 HA ASN 71 HA ASN 71 4.986 -1.597 -7.792 512 HB2 ASN 71 HB2 ASN 71 3.031 -0.795 -5.672 513 HB3 ASN 71 HB1 ASN 71 4.267 0.281 -6.318 514 HD21 ASN 71 HD21 ASN 71 1.362 -1.451 -6.979 515 HD22 ASN 71 HD22 ASN 71 0.936 -0.603 -8.415 516 H THR 72 HN THR 72 4.709 -3.487 -4.960 517 HA THR 72 HA THR 72 7.104 -2.208 -3.859 518 HB THR 72 HB THR 72 6.424 -3.173 -1.692 519 HG1 THR 72 HG1 THR 72 3.914 -3.754 -2.882 520 HG21 THR 72 HG21 THR 72 4.886 -1.480 -1.217 521 HG22 THR 72 HG22 THR 72 4.048 -1.679 -2.755 522 HG23 THR 72 HG23 THR 72 5.618 -0.874 -2.708 523 H GLY 73 HN GLY 73 5.860 -5.083 -5.253 524 HA2 GLY 73 HA2 GLY 73 7.228 -6.737 -6.155 525 HA3 GLY 73 HA1 GLY 73 8.573 -6.016 -5.292 526 H LEU 74 HN LEU 74 6.007 -6.486 -3.297 527 HA LEU 74 HA LEU 74 7.474 -8.364 -1.753 528 HB2 LEU 74 HB2 LEU 74 5.724 -6.364 -1.243 529 HB3 LEU 74 HB1 LEU 74 4.715 -7.766 -0.975 530 HG LEU 74 HG LEU 74 6.498 -8.657 0.548 531 HD11 LEU 74 HD11 LEU 74 8.311 -7.311 1.188 532 HD12 LEU 74 HD12 LEU 74 7.589 -5.862 0.492 533 HD13 LEU 74 HD13 LEU 74 8.226 -7.117 -0.571 534 HD21 LEU 74 HD21 LEU 74 5.446 -5.964 1.378 535 HD22 LEU 74 HD22 LEU 74 5.828 -7.338 2.413 536 HD23 LEU 74 HD23 LEU 74 4.452 -7.417 1.313 537 H ASP 75 HN ASP 75 5.688 -9.848 -0.516 538 HA ASP 75 HA ASP 75 5.786 -12.073 -2.347 539 HB2 ASP 75 HB2 ASP 75 6.926 -12.226 -0.264 540 HB3 ASP 75 HB1 ASP 75 5.499 -11.741 0.621 541 H LEU 76 HN LEU 76 3.720 -10.114 -2.546 542 HA LEU 76 HA LEU 76 1.414 -9.802 -2.574 543 HB2 LEU 76 HB2 LEU 76 0.431 -11.329 -4.281 544 HB3 LEU 76 HB1 LEU 76 1.913 -10.528 -4.751 545 HG LEU 76 HG LEU 76 2.084 -13.306 -3.670 546 HD11 LEU 76 HD11 LEU 76 0.258 -13.407 -5.290 547 HD12 LEU 76 HD12 LEU 76 1.703 -14.206 -5.910 548 HD13 LEU 76 HD13 LEU 76 1.270 -12.597 -6.486 549 HD21 LEU 76 HD21 LEU 76 3.563 -11.811 -5.835 550 HD22 LEU 76 HD22 LEU 76 3.942 -13.430 -5.249 551 HD23 LEU 76 HD23 LEU 76 4.122 -12.039 -4.179 552 HA PRO 77 HA PRO 77 -0.391 -12.857 0.297 553 HB2 PRO 77 HB2 PRO 77 -0.211 -11.496 2.613 554 HB3 PRO 77 HB1 PRO 77 1.135 -12.444 1.976 555 HG2 PRO 77 HG2 PRO 77 0.839 -9.531 2.166 556 HG3 PRO 77 HG1 PRO 77 2.305 -10.496 1.943 557 HD2 PRO 77 HD2 PRO 77 0.713 -9.104 -0.052 558 HD3 PRO 77 HD1 PRO 77 2.287 -9.903 -0.243 559 HA PRO 78 HA PRO 78 -4.290 -10.463 0.385 560 HB2 PRO 78 HB2 PRO 78 -5.886 -12.534 1.056 561 HB3 PRO 78 HB1 PRO 78 -5.305 -12.312 -0.597 562 HG2 PRO 78 HG2 PRO 78 -4.313 -14.166 1.530 563 HG3 PRO 78 HG1 PRO 78 -4.526 -14.463 -0.204 564 HD2 PRO 78 HD2 PRO 78 -2.113 -13.895 0.964 565 HD3 PRO 78 HD1 PRO 78 -2.495 -13.545 -0.732 566 H THR 79 HN THR 79 -6.179 -10.652 2.302 567 HA THR 79 HA THR 79 -6.638 -10.114 4.356 568 HB THR 79 HB THR 79 -5.746 -11.452 6.225 569 HG1 THR 79 HG1 THR 79 -3.822 -12.095 4.384 570 HG21 THR 79 HG21 THR 79 -6.697 -13.579 5.481 571 HG22 THR 79 HG22 THR 79 -6.604 -13.034 3.806 572 HG23 THR 79 HG23 THR 79 -7.670 -12.211 4.944 573 H LEU 80 HN LEU 80 -4.188 -8.837 2.994 574 HA LEU 80 HA LEU 80 -2.831 -7.816 5.314 575 HB2 LEU 80 HB2 LEU 80 -1.855 -6.150 3.596 576 HB3 LEU 80 HB1 LEU 80 -1.339 -7.819 3.585 577 HG LEU 80 HG LEU 80 -2.832 -8.243 1.650 578 HD11 LEU 80 HD11 LEU 80 -4.469 -6.458 2.062 579 HD12 LEU 80 HD12 LEU 80 -3.802 -6.392 0.431 580 HD13 LEU 80 HD13 LEU 80 -3.241 -5.259 1.660 581 HD21 LEU 80 HD21 LEU 80 -0.864 -5.987 1.298 582 HD22 LEU 80 HD22 LEU 80 -1.457 -7.051 0.023 583 HD23 LEU 80 HD23 LEU 80 -0.477 -7.708 1.333 584 H ILE 81 HN ILE 81 -5.618 -6.948 3.439 585 HA ILE 81 HA ILE 81 -5.791 -4.290 4.568 586 HB ILE 81 HB ILE 81 -8.121 -5.878 3.460 587 HG12 ILE 81 HG12 ILE 81 -6.506 -5.762 1.681 588 HG13 ILE 81 HG11 ILE 81 -7.721 -4.522 1.399 589 HG21 ILE 81 HG21 ILE 81 -7.606 -2.934 3.693 590 HG22 ILE 81 HG22 ILE 81 -8.688 -3.870 4.737 591 HG23 ILE 81 HG23 ILE 81 -9.056 -3.679 3.017 592 HD11 ILE 81 HD11 ILE 81 -5.360 -3.843 1.034 593 HD12 ILE 81 HD12 ILE 81 -5.138 -3.984 2.780 594 HD13 ILE 81 HD13 ILE 81 -6.300 -2.831 2.132 595 H PHE 82 HN PHE 82 -7.025 -7.458 5.281 596 HA PHE 82 HA PHE 82 -8.700 -6.798 7.417 597 HB2 PHE 82 HB2 PHE 82 -7.235 -9.353 6.738 598 HB3 PHE 82 HB1 PHE 82 -8.494 -9.224 7.957 599 HD1 PHE 82 HD1 PHE 82 -10.705 -9.686 7.341 600 HD2 PHE 82 HD2 PHE 82 -7.898 -8.496 4.366 601 HE1 PHE 82 HE1 PHE 82 -12.391 -10.062 5.598 602 HE2 PHE 82 HE2 PHE 82 -9.582 -8.877 2.623 603 HZ PHE 82 HZ PHE 82 -11.889 -9.689 3.295 604 H ASP 83 HN ASP 83 -5.241 -7.346 7.241 605 HA ASP 83 HA ASP 83 -5.000 -7.214 10.150 606 HB2 ASP 83 HB2 ASP 83 -3.629 -8.836 8.791 607 HB3 ASP 83 HB1 ASP 83 -2.774 -7.453 8.122 608 H HIS 84 HN HIS 84 -4.544 -5.275 7.315 609 HA HIS 84 HA HIS 84 -3.654 -3.022 8.991 610 HB2 HIS 84 HB2 HIS 84 -2.676 -3.817 6.243 611 HB3 HIS 84 HB1 HIS 84 -2.406 -2.218 6.921 612 HD1 HIS 84 HD1 HIS 84 -0.590 -2.004 8.744 613 HD2 HIS 84 HD2 HIS 84 -1.210 -5.901 7.439 614 HE1 HIS 84 HE1 HIS 84 1.340 -3.329 9.641 615 HE2 HIS 84 HE2 HIS 84 0.829 -5.714 9.015 616 HA PRO 85 HA PRO 85 -7.566 -2.188 6.948 617 HB2 PRO 85 HB2 PRO 85 -8.805 -0.960 8.951 618 HB3 PRO 85 HB1 PRO 85 -8.406 -2.680 9.047 619 HG2 PRO 85 HG2 PRO 85 -7.015 -0.341 10.290 620 HG3 PRO 85 HG1 PRO 85 -7.357 -1.936 10.982 621 HD2 PRO 85 HD2 PRO 85 -4.938 -1.151 9.850 622 HD3 PRO 85 HD1 PRO 85 -5.455 -2.828 10.111 623 H THR 86 HN THR 86 -5.175 0.149 7.439 624 HA THR 86 HA THR 86 -6.928 2.125 6.170 625 HB THR 86 HB THR 86 -5.830 3.944 7.327 626 HG1 THR 86 HG1 THR 86 -4.535 2.884 9.309 627 HG21 THR 86 HG21 THR 86 -6.826 1.837 9.245 628 HG22 THR 86 HG22 THR 86 -7.800 3.056 8.423 629 HG23 THR 86 HG23 THR 86 -6.620 3.544 9.637 630 HA PRO 87 HA PRO 87 -3.752 2.523 3.035 631 HB2 PRO 87 HB2 PRO 87 -3.876 5.453 3.389 632 HB3 PRO 87 HB1 PRO 87 -4.055 4.490 1.924 633 HG2 PRO 87 HG2 PRO 87 -6.181 5.608 3.101 634 HG3 PRO 87 HG1 PRO 87 -6.276 4.014 2.333 635 HD2 PRO 87 HD2 PRO 87 -6.162 4.719 5.230 636 HD3 PRO 87 HD1 PRO 87 -7.031 3.401 4.419 637 H HIS 88 HN HIS 88 -3.535 4.544 5.896 638 HA HIS 88 HA HIS 88 -0.766 4.922 6.008 639 HB2 HIS 88 HB2 HIS 88 -2.321 6.066 7.516 640 HB3 HIS 88 HB1 HIS 88 -2.787 4.534 8.230 641 HD1 HIS 88 HD1 HIS 88 0.479 6.474 7.817 642 HD2 HIS 88 HD2 HIS 88 -1.569 4.137 10.579 643 HE1 HIS 88 HE1 HIS 88 1.936 6.410 9.864 644 HE2 HIS 88 HE2 HIS 88 0.638 5.066 11.553 645 H ALA 89 HN ALA 89 -2.798 2.394 7.391 646 HA ALA 89 HA ALA 89 -0.887 0.778 8.567 647 HB1 ALA 89 HB1 ALA 89 -3.382 -0.151 7.178 648 HB2 ALA 89 HB2 ALA 89 -3.353 0.599 8.781 649 HB3 ALA 89 HB3 ALA 89 -2.537 -0.945 8.513 650 H LEU 90 HN LEU 90 -2.381 0.163 5.348 651 HA LEU 90 HA LEU 90 -0.769 -1.899 4.529 652 HB2 LEU 90 HB2 LEU 90 -2.176 0.292 3.095 653 HB3 LEU 90 HB1 LEU 90 -1.128 -0.775 2.178 654 HG LEU 90 HG LEU 90 -3.708 -1.328 3.550 655 HD11 LEU 90 HD11 LEU 90 -4.162 -2.386 1.356 656 HD12 LEU 90 HD12 LEU 90 -2.596 -1.784 0.815 657 HD13 LEU 90 HD13 LEU 90 -3.857 -0.653 1.296 658 HD21 LEU 90 HD21 LEU 90 -2.213 -3.075 4.345 659 HD22 LEU 90 HD22 LEU 90 -1.769 -3.446 2.679 660 HD23 LEU 90 HD23 LEU 90 -3.429 -3.696 3.231 661 H THR 91 HN THR 91 -0.181 1.554 4.171 662 HA THR 91 HA THR 91 2.245 1.450 2.814 663 HB THR 91 HB THR 91 1.058 3.409 4.780 664 HG1 THR 91 HG1 THR 91 0.059 3.581 2.861 665 HG21 THR 91 HG21 THR 91 3.356 3.772 5.126 666 HG22 THR 91 HG22 THR 91 2.848 5.014 3.977 667 HG23 THR 91 HG23 THR 91 3.725 3.592 3.414 668 H GLN 92 HN GLN 92 1.642 1.667 6.325 669 HA GLN 92 HA GLN 92 4.196 1.462 7.284 670 HB2 GLN 92 HB2 GLN 92 1.594 0.399 8.315 671 HB3 GLN 92 HB1 GLN 92 3.073 0.437 9.273 672 HG2 GLN 92 HG2 GLN 92 1.923 2.852 7.934 673 HG3 GLN 92 HG1 GLN 92 1.517 2.366 9.551 674 HE21 GLN 92 HE21 GLN 92 3.085 2.485 11.185 675 HE22 GLN 92 HE22 GLN 92 4.504 3.458 10.997 676 H HIS 93 HN HIS 93 2.023 -1.099 6.246 677 HA HIS 93 HA HIS 93 3.570 -3.320 6.950 678 HB2 HIS 93 HB2 HIS 93 1.295 -3.667 6.322 679 HB3 HIS 93 HB1 HIS 93 1.529 -2.886 4.766 680 HD1 HIS 93 HD1 HIS 93 2.576 -6.055 6.588 681 HD2 HIS 93 HD2 HIS 93 2.090 -4.593 2.717 682 HE1 HIS 93 HE1 HIS 93 2.912 -8.031 5.071 683 HE2 HIS 93 HE2 HIS 93 2.725 -7.108 2.739 684 H LEU 94 HN LEU 94 3.388 -1.677 3.750 685 HA LEU 94 HA LEU 94 5.456 -3.383 2.705 686 HB2 LEU 94 HB2 LEU 94 4.275 -0.826 1.597 687 HB3 LEU 94 HB1 LEU 94 5.279 -1.957 0.713 688 HG LEU 94 HG LEU 94 2.653 -2.764 1.929 689 HD11 LEU 94 HD11 LEU 94 3.020 -1.985 -0.942 690 HD12 LEU 94 HD12 LEU 94 2.463 -0.850 0.306 691 HD13 LEU 94 HD13 LEU 94 1.528 -2.304 -0.048 692 HD21 LEU 94 HD21 LEU 94 2.770 -4.570 0.293 693 HD22 LEU 94 HD22 LEU 94 4.217 -4.563 1.296 694 HD23 LEU 94 HD23 LEU 94 4.283 -3.923 -0.351 695 H HIS 95 HN HIS 95 5.465 -0.351 4.402 696 HA HIS 95 HA HIS 95 8.055 0.488 3.495 697 HB2 HIS 95 HB2 HIS 95 6.399 2.033 4.597 698 HB3 HIS 95 HB1 HIS 95 6.671 1.175 6.107 699 HD1 HIS 95 HD1 HIS 95 8.766 1.740 7.427 700 HD2 HIS 95 HD2 HIS 95 8.579 3.716 3.757 701 HE1 HIS 95 HE1 HIS 95 10.576 3.472 7.497 702 HE2 HIS 95 HE2 HIS 95 10.300 4.777 5.368 703 H THR 96 HN THR 96 6.881 -0.991 6.513 704 HA THR 96 HA THR 96 9.292 -1.762 7.571 705 HB THR 96 HB THR 96 6.448 -2.537 7.835 706 HG1 THR 96 HG1 THR 96 8.246 -2.147 9.962 707 HG21 THR 96 HG21 THR 96 8.640 -4.223 9.010 708 HG22 THR 96 HG22 THR 96 7.489 -4.708 7.767 709 HG23 THR 96 HG23 THR 96 6.922 -4.337 9.394 710 H ARG 97 HN ARG 97 7.142 -3.594 5.352 711 HA ARG 97 HA ARG 97 8.787 -5.897 5.481 712 HB2 ARG 97 HB2 ARG 97 6.501 -5.153 3.718 713 HB3 ARG 97 HB1 ARG 97 7.338 -6.680 3.565 714 HG2 ARG 97 HG2 ARG 97 5.797 -5.620 5.883 715 HG3 ARG 97 HG1 ARG 97 5.411 -7.027 4.894 716 HD2 ARG 97 HD2 ARG 97 7.667 -6.698 6.863 717 HD3 ARG 97 HD1 ARG 97 6.275 -7.758 6.984 718 HE ARG 97 HE ARG 97 8.516 -8.118 5.106 719 HH11 ARG 97 HH11 ARG 97 5.800 -9.435 6.885 720 HH12 ARG 97 HH12 ARG 97 6.277 -11.081 6.639 721 HH21 ARG 97 HH21 ARG 97 9.149 -10.286 4.797 722 HH22 ARG 97 HH22 ARG 97 8.180 -11.567 5.446 723 H LEU 98 HN LEU 98 8.690 -3.143 3.362 724 HA LEU 98 HA LEU 98 10.120 -3.970 1.212 725 HB2 LEU 98 HB2 LEU 98 9.230 -1.631 2.017 726 HB3 LEU 98 HB1 LEU 98 10.890 -1.426 2.508 727 HG LEU 98 HG LEU 98 9.958 -0.711 0.096 728 HD11 LEU 98 HD11 LEU 98 12.212 -0.361 1.160 729 HD12 LEU 98 HD12 LEU 98 12.179 -0.514 -0.596 730 HD13 LEU 98 HD13 LEU 98 12.698 -1.879 0.402 731 HD21 LEU 98 HD21 LEU 98 9.385 -3.064 -0.427 732 HD22 LEU 98 HD22 LEU 98 11.101 -3.468 -0.323 733 HD23 LEU 98 HD23 LEU 98 10.536 -2.355 -1.566 734 H THR 99 HN THR 99 11.505 -2.866 4.290 735 HA THR 99 HA THR 99 14.129 -3.764 3.520 736 HB THR 99 HB THR 99 14.182 -1.894 4.936 737 HG1 THR 99 HG1 THR 99 15.595 -3.722 5.568 738 HG21 THR 99 HG21 THR 99 13.067 -1.781 7.126 739 HG22 THR 99 HG22 THR 99 12.326 -3.350 6.813 740 HG23 THR 99 HG23 THR 99 11.922 -1.964 5.796 741 H GLN 100 HN GLN 100 11.603 -4.846 5.768 742 HA GLN 100 HA GLN 100 12.961 -7.292 6.404 743 HB2 GLN 100 HB2 GLN 100 10.141 -6.365 6.874 744 HB3 GLN 100 HB1 GLN 100 10.811 -7.850 7.522 745 HG2 GLN 100 HG2 GLN 100 11.967 -5.130 8.056 746 HG3 GLN 100 HG1 GLN 100 10.770 -5.904 9.093 747 HE21 GLN 100 HE21 GLN 100 13.567 -5.109 9.612 748 HE22 GLN 100 HE22 GLN 100 14.360 -6.552 10.149 749 H SER 101 HN SER 101 13.268 -7.880 4.062 750 HA SER 101 HA SER 101 10.998 -9.488 3.157 751 HB2 SER 101 HB2 SER 101 11.357 -8.643 0.828 752 HB3 SER 101 HB1 SER 101 10.754 -7.427 1.951 753 HG SER 101 HG SER 101 12.488 -6.302 1.610 754 H HIS 102 HN HIS 102 11.796 -10.672 1.006 755 HA HIS 102 HA HIS 102 14.541 -11.574 1.451 756 HB2 HIS 102 HB2 HIS 102 13.880 -13.902 0.890 757 HB3 HIS 102 HB1 HIS 102 13.212 -13.330 2.395 758 HD1 HIS 102 HD1 HIS 102 12.238 -15.358 -0.242 759 HD2 HIS 102 HD2 HIS 102 10.451 -12.133 1.658 760 HE1 HIS 102 HE1 HIS 102 9.777 -15.609 -0.677 761 HE2 HIS 102 HE2 HIS 102 8.698 -13.771 0.673 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 7.240 -5.058 -17.661 2 H2 GLY 1 HT2 GLY 1 6.242 -6.415 -17.784 3 H3 GLY 1 HT3 GLY 1 7.882 -6.535 -18.170 4 HA2 GLY 1 HA1 GLY 1 6.766 -5.986 -15.481 5 HA3 GLY 1 HA2 GLY 1 7.460 -7.511 -16.016 6 H ALA 2 HN ALA 2 8.565 -6.543 -13.838 7 HA ALA 2 HA ALA 2 11.147 -5.491 -14.759 8 HB1 ALA 2 HB1 ALA 2 11.274 -3.992 -12.847 9 HB2 ALA 2 HB2 ALA 2 9.675 -4.505 -12.314 10 HB3 ALA 2 HB3 ALA 2 9.857 -3.613 -13.825 11 H ALA 3 HN ALA 3 12.924 -6.096 -13.447 12 HA ALA 3 HA ALA 3 12.570 -8.612 -12.090 13 HB1 ALA 3 HB1 ALA 3 15.043 -6.918 -12.454 14 HB2 ALA 3 HB2 ALA 3 14.531 -8.248 -13.493 15 HB3 ALA 3 HB3 ALA 3 15.007 -8.566 -11.825 16 H SER 4 HN SER 4 11.276 -8.064 -10.334 17 HA SER 4 HA SER 4 10.869 -7.611 -8.157 18 HB2 SER 4 HB2 SER 4 13.135 -8.485 -7.693 19 HB3 SER 4 HB1 SER 4 13.796 -6.876 -7.964 20 HG SER 4 HG SER 4 13.231 -7.632 -5.700 21 H ALA 5 HN ALA 5 9.486 -5.934 -8.171 22 HA ALA 5 HA ALA 5 10.474 -3.251 -8.627 23 HB1 ALA 5 HB1 ALA 5 8.158 -2.554 -8.331 24 HB2 ALA 5 HB2 ALA 5 7.719 -4.187 -7.826 25 HB3 ALA 5 HB3 ALA 5 8.270 -3.892 -9.475 26 H ALA 6 HN ALA 6 10.678 -5.294 -6.097 27 HA ALA 6 HA ALA 6 10.055 -3.468 -3.941 28 HB1 ALA 6 HB1 ALA 6 9.868 -5.841 -3.532 29 HB2 ALA 6 HB2 ALA 6 11.166 -5.189 -2.533 30 HB3 ALA 6 HB3 ALA 6 11.551 -6.093 -3.998 31 H THR 7 HN THR 7 12.587 -4.060 -6.081 32 HA THR 7 HA THR 7 14.467 -2.553 -4.421 33 HB THR 7 HB THR 7 15.396 -4.620 -5.273 34 HG1 THR 7 HG1 THR 7 17.021 -3.354 -6.817 35 HG21 THR 7 HG21 THR 7 15.742 -5.007 -7.659 36 HG22 THR 7 HG22 THR 7 14.870 -3.519 -8.029 37 HG23 THR 7 HG23 THR 7 14.021 -4.876 -7.285 38 H ASP 8 HN ASP 8 12.066 -2.051 -6.550 39 HA ASP 8 HA ASP 8 13.305 0.297 -7.772 40 HB2 ASP 8 HB2 ASP 8 11.131 -1.488 -8.518 41 HB3 ASP 8 HB1 ASP 8 10.653 0.205 -8.527 42 H LEU 9 HN LEU 9 10.860 -0.903 -5.637 43 HA LEU 9 HA LEU 9 9.563 1.561 -5.160 44 HB2 LEU 9 HB2 LEU 9 8.426 -0.445 -4.546 45 HB3 LEU 9 HB1 LEU 9 9.755 -0.967 -3.536 46 HG LEU 9 HG LEU 9 9.364 1.106 -2.151 47 HD11 LEU 9 HD11 LEU 9 6.742 1.111 -3.625 48 HD12 LEU 9 HD12 LEU 9 8.044 2.312 -3.809 49 HD13 LEU 9 HD13 LEU 9 7.193 2.144 -2.263 50 HD21 LEU 9 HD21 LEU 9 8.767 -1.173 -1.486 51 HD22 LEU 9 HD22 LEU 9 7.174 -0.941 -2.195 52 HD23 LEU 9 HD23 LEU 9 7.678 0.044 -0.828 53 H ALA 10 HN ALA 10 11.718 -0.405 -3.236 54 HA ALA 10 HA ALA 10 12.431 1.544 -1.330 55 HB1 ALA 10 HB1 ALA 10 14.013 -0.836 -2.296 56 HB2 ALA 10 HB2 ALA 10 12.840 -0.820 -0.974 57 HB3 ALA 10 HB3 ALA 10 14.345 0.092 -0.832 58 H ALA 11 HN ALA 11 13.022 1.578 -4.590 59 HA ALA 11 HA ALA 11 15.582 2.897 -4.505 60 HB1 ALA 11 HB1 ALA 11 15.164 3.296 -6.904 61 HB2 ALA 11 HB2 ALA 11 13.570 2.551 -6.716 62 HB3 ALA 11 HB3 ALA 11 15.033 1.596 -6.457 63 H ARG 12 HN ARG 12 12.114 3.757 -4.852 64 HA ARG 12 HA ARG 12 12.498 6.549 -5.043 65 HB2 ARG 12 HB2 ARG 12 10.275 4.770 -4.132 66 HB3 ARG 12 HB1 ARG 12 10.126 6.502 -3.978 67 HG2 ARG 12 HG2 ARG 12 9.023 5.978 -5.938 68 HG3 ARG 12 HG1 ARG 12 10.605 6.549 -6.474 69 HD2 ARG 12 HD2 ARG 12 11.357 4.384 -6.922 70 HD3 ARG 12 HD1 ARG 12 10.045 3.670 -5.977 71 HE ARG 12 HE ARG 12 8.671 4.881 -7.915 72 HH11 ARG 12 HH11 ARG 12 11.547 2.902 -8.138 73 HH12 ARG 12 HH12 ARG 12 11.179 2.316 -9.733 74 HH21 ARG 12 HH21 ARG 12 8.188 4.126 -10.009 75 HH22 ARG 12 HH22 ARG 12 9.278 3.034 -10.803 76 H LEU 13 HN LEU 13 12.565 4.278 -2.481 77 HA LEU 13 HA LEU 13 12.044 6.186 -0.373 78 HB2 LEU 13 HB2 LEU 13 12.545 3.253 -0.522 79 HB3 LEU 13 HB1 LEU 13 12.648 4.069 1.019 80 HG LEU 13 HG LEU 13 10.337 4.630 0.988 81 HD11 LEU 13 HD11 LEU 13 8.914 3.871 -0.973 82 HD12 LEU 13 HD12 LEU 13 10.433 3.858 -1.888 83 HD13 LEU 13 HD13 LEU 13 9.856 5.353 -1.138 84 HD21 LEU 13 HD21 LEU 13 9.265 2.459 0.833 85 HD22 LEU 13 HD22 LEU 13 10.834 2.344 1.630 86 HD23 LEU 13 HD23 LEU 13 10.656 1.830 -0.047 87 H ASN 14 HN ASN 14 14.648 4.121 -1.419 88 HA ASN 14 HA ASN 14 16.657 4.906 0.301 89 HB2 ASN 14 HB2 ASN 14 16.455 3.804 -2.431 90 HB3 ASN 14 HB1 ASN 14 18.037 4.464 -1.967 91 HD21 ASN 14 HD21 ASN 14 17.251 1.731 -2.540 92 HD22 ASN 14 HD22 ASN 14 17.575 0.804 -1.119 93 H GLY 15 HN GLY 15 17.750 6.712 0.615 94 HA2 GLY 15 HA2 GLY 15 18.798 8.731 -0.085 95 HA3 GLY 15 HA1 GLY 15 17.684 8.805 -1.444 96 H LEU 16 HN LEU 16 15.615 7.933 0.716 97 HA LEU 16 HA LEU 16 14.985 10.698 1.469 98 HB2 LEU 16 HB2 LEU 16 13.311 8.353 0.712 99 HB3 LEU 16 HB1 LEU 16 12.634 9.557 1.778 100 HG LEU 16 HG LEU 16 11.951 10.044 -0.462 101 HD11 LEU 16 HD11 LEU 16 12.631 11.852 1.126 102 HD12 LEU 16 HD12 LEU 16 12.634 12.296 -0.589 103 HD13 LEU 16 HD13 LEU 16 14.155 11.947 0.234 104 HD21 LEU 16 HD21 LEU 16 13.709 8.872 -1.684 105 HD22 LEU 16 HD22 LEU 16 14.885 10.083 -1.169 106 HD23 LEU 16 HD23 LEU 16 13.560 10.540 -2.239 107 H SER 17 HN SER 17 13.740 10.997 3.421 108 HA SER 17 HA SER 17 14.804 9.587 5.690 109 HB2 SER 17 HB2 SER 17 12.565 11.616 5.587 110 HB3 SER 17 HB1 SER 17 13.532 11.180 6.991 111 HG SER 17 HG SER 17 14.294 13.111 6.093 112 HA PRO 18 HA PRO 18 11.976 6.340 6.362 113 HB2 PRO 18 HB2 PRO 18 11.258 7.715 8.927 114 HB3 PRO 18 HB1 PRO 18 11.652 6.013 8.641 115 HG2 PRO 18 HG2 PRO 18 13.496 7.582 9.670 116 HG3 PRO 18 HG1 PRO 18 13.942 6.476 8.355 117 HD2 PRO 18 HD2 PRO 18 13.459 9.419 8.259 118 HD3 PRO 18 HD1 PRO 18 14.684 8.445 7.422 119 H GLN 19 HN GLN 19 10.577 9.401 7.475 120 HA GLN 19 HA GLN 19 7.866 8.648 6.951 121 HB2 GLN 19 HB2 GLN 19 8.541 10.453 8.537 122 HB3 GLN 19 HB1 GLN 19 8.963 11.446 7.146 123 HG2 GLN 19 HG2 GLN 19 6.618 11.091 6.337 124 HG3 GLN 19 HG1 GLN 19 6.262 10.412 7.919 125 HE21 GLN 19 HE21 GLN 19 4.795 12.009 8.419 126 HE22 GLN 19 HE22 GLN 19 5.272 13.627 8.793 127 H GLN 20 HN GLN 20 10.359 10.156 4.995 128 HA GLN 20 HA GLN 20 8.566 11.007 2.922 129 HB2 GLN 20 HB2 GLN 20 11.554 10.633 2.983 130 HB3 GLN 20 HB1 GLN 20 10.684 11.233 1.575 131 HG2 GLN 20 HG2 GLN 20 9.779 13.059 3.062 132 HG3 GLN 20 HG1 GLN 20 10.923 12.503 4.269 133 HE21 GLN 20 HE21 GLN 20 13.108 12.898 4.004 134 HE22 GLN 20 HE22 GLN 20 13.708 13.987 2.806 135 H GLN 21 HN GLN 21 10.785 8.333 3.449 136 HA GLN 21 HA GLN 21 10.286 6.777 1.209 137 HB2 GLN 21 HB2 GLN 21 10.772 5.967 4.091 138 HB3 GLN 21 HB1 GLN 21 10.858 4.856 2.736 139 HG2 GLN 21 HG2 GLN 21 12.730 6.000 1.824 140 HG3 GLN 21 HG1 GLN 21 12.585 7.310 2.999 141 HE21 GLN 21 HE21 GLN 21 13.577 4.010 2.465 142 HE22 GLN 21 HE22 GLN 21 14.437 3.815 3.947 143 H GLN 22 HN GLN 22 8.490 7.236 4.148 144 HA GLN 22 HA GLN 22 6.550 5.222 3.802 145 HB2 GLN 22 HB2 GLN 22 7.273 6.877 5.781 146 HB3 GLN 22 HB1 GLN 22 5.885 7.717 5.173 147 HG2 GLN 22 HG2 GLN 22 4.471 6.000 5.636 148 HG3 GLN 22 HG1 GLN 22 5.758 4.841 5.898 149 HE21 GLN 22 HE21 GLN 22 3.964 7.510 7.215 150 HE22 GLN 22 HE22 GLN 22 4.511 7.336 8.849 151 H GLN 23 HN GLN 23 6.449 8.697 3.380 152 HA GLN 23 HA GLN 23 4.065 9.212 2.262 153 HB2 GLN 23 HB2 GLN 23 6.715 10.232 1.422 154 HB3 GLN 23 HB1 GLN 23 5.201 10.950 0.894 155 HG2 GLN 23 HG2 GLN 23 4.620 11.548 3.110 156 HG3 GLN 23 HG1 GLN 23 5.942 10.610 3.776 157 HE21 GLN 23 HE21 GLN 23 6.282 12.583 0.931 158 HE22 GLN 23 HE22 GLN 23 7.297 13.785 1.647 159 H THR 24 HN THR 24 6.804 7.911 0.427 160 HA THR 24 HA THR 24 5.645 7.965 -2.121 161 HB THR 24 HB THR 24 7.716 6.248 -0.809 162 HG1 THR 24 HG1 THR 24 7.941 8.554 -1.630 163 HG21 THR 24 HG21 THR 24 6.514 4.861 -2.499 164 HG22 THR 24 HG22 THR 24 8.209 5.158 -2.904 165 HG23 THR 24 HG23 THR 24 6.933 6.063 -3.723 166 H LEU 25 HN LEU 25 5.493 5.458 0.395 167 HA LEU 25 HA LEU 25 3.727 3.758 -1.144 168 HB2 LEU 25 HB2 LEU 25 4.274 3.881 1.804 169 HB3 LEU 25 HB1 LEU 25 3.409 2.597 0.993 170 HG LEU 25 HG LEU 25 6.197 3.169 0.133 171 HD11 LEU 25 HD11 LEU 25 6.244 3.218 2.596 172 HD12 LEU 25 HD12 LEU 25 7.084 1.813 1.933 173 HD13 LEU 25 HD13 LEU 25 5.470 1.633 2.624 174 HD21 LEU 25 HD21 LEU 25 6.150 0.676 -0.046 175 HD22 LEU 25 HD22 LEU 25 4.976 1.499 -1.067 176 HD23 LEU 25 HD23 LEU 25 4.455 0.727 0.430 177 H ALA 26 HN ALA 26 3.529 6.131 1.405 178 HA ALA 26 HA ALA 26 0.739 5.996 1.834 179 HB1 ALA 26 HB1 ALA 26 2.464 8.399 2.359 180 HB2 ALA 26 HB2 ALA 26 2.627 6.926 3.313 181 HB3 ALA 26 HB3 ALA 26 1.088 7.806 3.295 182 H THR 27 HN THR 27 2.194 6.740 -0.864 183 HA THR 27 HA THR 27 0.152 8.643 -1.737 184 HB THR 27 HB THR 27 3.047 8.332 -2.489 185 HG1 THR 27 HG1 THR 27 2.678 9.883 -0.964 186 HG21 THR 27 HG21 THR 27 1.832 8.270 -4.589 187 HG22 THR 27 HG22 THR 27 2.716 9.790 -4.411 188 HG23 THR 27 HG23 THR 27 0.970 9.750 -4.149 189 H LEU 28 HN LEU 28 2.290 6.025 -2.634 190 HA LEU 28 HA LEU 28 1.042 5.288 -5.023 191 HB2 LEU 28 HB2 LEU 28 3.215 4.586 -4.915 192 HB3 LEU 28 HB1 LEU 28 3.080 4.147 -3.228 193 HG LEU 28 HG LEU 28 1.386 2.376 -4.231 194 HD11 LEU 28 HD11 LEU 28 2.268 1.401 -6.280 195 HD12 LEU 28 HD12 LEU 28 3.417 2.738 -6.407 196 HD13 LEU 28 HD13 LEU 28 1.684 3.050 -6.526 197 HD21 LEU 28 HD21 LEU 28 3.051 1.713 -2.763 198 HD22 LEU 28 HD22 LEU 28 4.344 2.178 -3.879 199 HD23 LEU 28 HD23 LEU 28 3.335 0.772 -4.236 200 H VAL 29 HN VAL 29 0.904 4.093 -1.760 201 HA VAL 29 HA VAL 29 -0.731 1.855 -2.302 202 HB VAL 29 HB VAL 29 -0.164 3.375 0.237 203 HG11 VAL 29 HG11 VAL 29 -2.382 2.396 0.434 204 HG12 VAL 29 HG12 VAL 29 -1.233 1.530 1.456 205 HG13 VAL 29 HG13 VAL 29 -1.756 0.830 -0.076 206 HG21 VAL 29 HG21 VAL 29 0.681 0.622 -0.652 207 HG22 VAL 29 HG22 VAL 29 1.227 1.492 0.782 208 HG23 VAL 29 HG23 VAL 29 1.659 2.080 -0.826 209 H ALA 30 HN ALA 30 -1.294 5.168 -1.499 210 HA ALA 30 HA ALA 30 -4.124 4.891 -1.236 211 HB1 ALA 30 HB1 ALA 30 -3.027 6.629 -0.034 212 HB2 ALA 30 HB2 ALA 30 -4.053 7.369 -1.265 213 HB3 ALA 30 HB3 ALA 30 -2.314 7.257 -1.517 214 H ALA 31 HN ALA 31 -1.831 5.757 -3.688 215 HA ALA 31 HA ALA 31 -3.606 6.524 -5.727 216 HB1 ALA 31 HB1 ALA 31 -1.675 5.769 -7.221 217 HB2 ALA 31 HB2 ALA 31 -0.837 5.331 -5.719 218 HB3 ALA 31 HB3 ALA 31 -1.309 7.002 -6.014 219 H ALA 32 HN ALA 32 -2.267 3.474 -4.703 220 HA ALA 32 HA ALA 32 -3.517 1.720 -6.457 221 HB1 ALA 32 HB1 ALA 32 -2.588 1.527 -3.616 222 HB2 ALA 32 HB2 ALA 32 -1.814 0.901 -5.075 223 HB3 ALA 32 HB3 ALA 32 -3.286 0.140 -4.462 224 H THR 33 HN THR 33 -4.646 2.988 -3.292 225 HA THR 33 HA THR 33 -7.140 1.552 -3.519 226 HB THR 33 HB THR 33 -6.554 3.838 -1.629 227 HG1 THR 33 HG1 THR 33 -4.897 2.171 -1.534 228 HG21 THR 33 HG21 THR 33 -8.103 2.511 -0.169 229 HG22 THR 33 HG22 THR 33 -8.413 1.463 -1.557 230 HG23 THR 33 HG23 THR 33 -8.852 3.169 -1.622 231 H ALA 34 HN ALA 34 -5.897 4.580 -4.557 232 HA ALA 34 HA ALA 34 -8.369 5.890 -4.982 233 HB1 ALA 34 HB1 ALA 34 -7.087 7.364 -6.463 234 HB2 ALA 34 HB2 ALA 34 -5.718 6.254 -6.378 235 HB3 ALA 34 HB3 ALA 34 -6.258 7.104 -4.928 236 H THR 35 HN THR 35 -6.583 3.443 -6.608 237 HA THR 35 HA THR 35 -8.004 3.561 -9.083 238 HB THR 35 HB THR 35 -5.905 1.884 -7.848 239 HG1 THR 35 HG1 THR 35 -5.028 2.152 -9.962 240 HG21 THR 35 HG21 THR 35 -7.648 0.242 -8.400 241 HG22 THR 35 HG22 THR 35 -6.174 0.033 -9.358 242 HG23 THR 35 HG23 THR 35 -7.599 0.784 -10.081 243 H VAL 36 HN VAL 36 -8.024 1.460 -6.216 244 HA VAL 36 HA VAL 36 -9.837 -0.427 -7.133 245 HB VAL 36 HB VAL 36 -10.268 -0.922 -4.725 246 HG11 VAL 36 HG11 VAL 36 -7.868 -1.467 -4.181 247 HG12 VAL 36 HG12 VAL 36 -7.479 -0.741 -5.745 248 HG13 VAL 36 HG13 VAL 36 -8.548 -2.145 -5.656 249 HG21 VAL 36 HG21 VAL 36 -10.154 0.945 -3.497 250 HG22 VAL 36 HG22 VAL 36 -8.781 1.581 -4.399 251 HG23 VAL 36 HG23 VAL 36 -8.541 0.288 -3.221 252 H LEU 37 HN LEU 37 -10.438 2.734 -5.745 253 HA LEU 37 HA LEU 37 -13.298 2.117 -5.517 254 HB2 LEU 37 HB2 LEU 37 -11.996 4.659 -4.637 255 HB3 LEU 37 HB1 LEU 37 -13.468 3.918 -4.044 256 HG LEU 37 HG LEU 37 -10.747 2.715 -3.639 257 HD11 LEU 37 HD11 LEU 37 -10.863 4.941 -2.648 258 HD12 LEU 37 HD12 LEU 37 -10.761 3.668 -1.436 259 HD13 LEU 37 HD13 LEU 37 -12.305 4.460 -1.753 260 HD21 LEU 37 HD21 LEU 37 -13.414 2.251 -2.323 261 HD22 LEU 37 HD22 LEU 37 -11.899 1.471 -1.867 262 HD23 LEU 37 HD23 LEU 37 -12.607 1.168 -3.453 263 H GLY 38 HN GLY 38 -11.284 3.318 -7.815 264 HA2 GLY 38 HA2 GLY 38 -11.546 4.673 -9.646 265 HA3 GLY 38 HA1 GLY 38 -13.274 4.591 -9.338 266 H HIS 39 HN HIS 39 -10.583 6.010 -7.482 267 HA HIS 39 HA HIS 39 -12.013 8.589 -7.577 268 HB2 HIS 39 HB2 HIS 39 -10.294 7.362 -5.452 269 HB3 HIS 39 HB1 HIS 39 -10.496 9.105 -5.533 270 HD1 HIS 39 HD1 HIS 39 -12.017 9.660 -3.648 271 HD2 HIS 39 HD2 HIS 39 -13.326 6.337 -5.792 272 HE1 HIS 39 HE1 HIS 39 -14.220 9.008 -2.622 273 HE2 HIS 39 HE2 HIS 39 -14.969 6.965 -3.897 274 H HIS 40 HN HIS 40 -9.079 6.903 -8.164 275 HA HIS 40 HA HIS 40 -7.175 7.368 -9.257 276 HB2 HIS 40 HB2 HIS 40 -8.568 8.460 -10.949 277 HB3 HIS 40 HB1 HIS 40 -8.489 9.970 -10.047 278 HD1 HIS 40 HD1 HIS 40 -7.188 11.367 -11.700 279 HD2 HIS 40 HD2 HIS 40 -5.328 7.747 -10.827 280 HE1 HIS 40 HE1 HIS 40 -4.913 11.493 -12.766 281 HE2 HIS 40 HE2 HIS 40 -3.878 9.232 -12.368 282 H THR 41 HN THR 41 -8.328 10.158 -7.381 283 HA THR 41 HA THR 41 -5.675 11.130 -6.922 284 HB THR 41 HB THR 41 -7.087 12.275 -4.962 285 HG1 THR 41 HG1 THR 41 -9.108 12.543 -6.717 286 HG21 THR 41 HG21 THR 41 -7.583 14.102 -6.602 287 HG22 THR 41 HG22 THR 41 -6.924 13.047 -7.855 288 HG23 THR 41 HG23 THR 41 -5.904 13.577 -6.513 289 HA PRO 42 HA PRO 42 -4.873 8.593 -3.277 290 HB2 PRO 42 HB2 PRO 42 -2.375 10.091 -3.164 291 HB3 PRO 42 HB1 PRO 42 -2.616 8.369 -3.461 292 HG2 PRO 42 HG2 PRO 42 -1.738 10.078 -5.379 293 HG3 PRO 42 HG1 PRO 42 -2.706 8.635 -5.738 294 HD2 PRO 42 HD2 PRO 42 -3.581 11.496 -5.535 295 HD3 PRO 42 HD1 PRO 42 -4.051 10.261 -6.719 296 H GLU 43 HN GLU 43 -4.966 11.938 -3.881 297 HA GLU 43 HA GLU 43 -4.705 12.972 -1.258 298 HB2 GLU 43 HB2 GLU 43 -6.427 14.210 -3.354 299 HB3 GLU 43 HB1 GLU 43 -5.421 14.996 -2.156 300 HG2 GLU 43 HG2 GLU 43 -3.439 14.349 -3.343 301 HG3 GLU 43 HG1 GLU 43 -4.394 13.472 -4.528 302 H SER 44 HN SER 44 -7.366 11.869 -3.239 303 HA SER 44 HA SER 44 -9.453 12.492 -1.420 304 HB2 SER 44 HB2 SER 44 -9.776 12.235 -3.865 305 HB3 SER 44 HB1 SER 44 -9.390 10.528 -3.703 306 HG SER 44 HG SER 44 -11.500 11.716 -2.245 307 H ILE 45 HN ILE 45 -7.169 9.999 -1.702 308 HA ILE 45 HA ILE 45 -8.640 8.078 -0.097 309 HB ILE 45 HB ILE 45 -5.813 7.944 -1.127 310 HG12 ILE 45 HG12 ILE 45 -7.335 8.177 -2.988 311 HG13 ILE 45 HG11 ILE 45 -6.747 6.523 -2.913 312 HG21 ILE 45 HG21 ILE 45 -6.410 6.419 0.768 313 HG22 ILE 45 HG22 ILE 45 -5.891 5.607 -0.710 314 HG23 ILE 45 HG23 ILE 45 -7.608 5.677 -0.299 315 HD11 ILE 45 HD11 ILE 45 -8.832 5.794 -1.937 316 HD12 ILE 45 HD12 ILE 45 -9.118 6.646 -3.454 317 HD13 ILE 45 HD13 ILE 45 -9.424 7.456 -1.919 318 H SER 46 HN SER 46 -8.803 9.220 1.888 319 HA SER 46 HA SER 46 -6.543 10.250 3.253 320 HB2 SER 46 HB2 SER 46 -9.053 9.286 4.583 321 HB3 SER 46 HB1 SER 46 -7.980 10.579 5.096 322 HG SER 46 HG SER 46 -8.649 11.465 2.863 323 HA PRO 47 HA PRO 47 -4.750 6.529 4.541 324 HB2 PRO 47 HB2 PRO 47 -2.934 7.451 6.217 325 HB3 PRO 47 HB1 PRO 47 -2.986 8.075 4.570 326 HG2 PRO 47 HG2 PRO 47 -3.921 9.329 7.102 327 HG3 PRO 47 HG1 PRO 47 -3.184 10.085 5.687 328 HD2 PRO 47 HD2 PRO 47 -5.950 9.892 6.288 329 HD3 PRO 47 HD1 PRO 47 -5.228 10.477 4.766 330 H ALA 48 HN ALA 48 -6.732 8.145 6.698 331 HA ALA 48 HA ALA 48 -6.318 6.094 8.723 332 HB1 ALA 48 HB1 ALA 48 -6.392 7.695 10.457 333 HB2 ALA 48 HB2 ALA 48 -6.882 8.965 9.335 334 HB3 ALA 48 HB3 ALA 48 -5.255 8.289 9.238 335 H THR 49 HN THR 49 -8.346 7.099 6.525 336 HA THR 49 HA THR 49 -10.838 7.286 7.879 337 HB THR 49 HB THR 49 -9.977 6.838 5.047 338 HG1 THR 49 HG1 THR 49 -11.296 8.899 6.486 339 HG21 THR 49 HG21 THR 49 -12.300 6.843 4.324 340 HG22 THR 49 HG22 THR 49 -12.830 6.829 6.008 341 HG23 THR 49 HG23 THR 49 -11.941 5.452 5.351 342 H ALA 50 HN ALA 50 -9.040 4.778 6.295 343 HA ALA 50 HA ALA 50 -8.907 2.519 6.853 344 HB1 ALA 50 HB1 ALA 50 -11.796 2.734 7.687 345 HB2 ALA 50 HB2 ALA 50 -10.403 2.591 8.762 346 HB3 ALA 50 HB3 ALA 50 -10.832 1.255 7.690 347 H PHE 51 HN PHE 51 -8.925 1.107 5.373 348 HA PHE 51 HA PHE 51 -9.813 1.506 2.800 349 HB2 PHE 51 HB2 PHE 51 -9.218 -1.022 4.308 350 HB3 PHE 51 HB1 PHE 51 -9.539 -1.001 2.575 351 HD1 PHE 51 HD1 PHE 51 -8.197 1.248 1.559 352 HD2 PHE 51 HD2 PHE 51 -7.019 -1.345 4.700 353 HE1 PHE 51 HE1 PHE 51 -5.848 1.804 1.119 354 HE2 PHE 51 HE2 PHE 51 -4.670 -0.803 4.279 355 HZ PHE 51 HZ PHE 51 -4.073 0.772 2.476 356 H LYS 52 HN LYS 52 -11.369 -0.406 5.343 357 HA LYS 52 HA LYS 52 -13.587 -1.302 3.997 358 HB2 LYS 52 HB2 LYS 52 -13.381 -0.244 6.821 359 HB3 LYS 52 HB1 LYS 52 -14.732 -1.191 6.208 360 HG2 LYS 52 HG2 LYS 52 -13.078 -3.008 5.699 361 HG3 LYS 52 HG1 LYS 52 -11.873 -2.048 6.552 362 HD2 LYS 52 HD2 LYS 52 -14.438 -3.116 7.703 363 HD3 LYS 52 HD1 LYS 52 -12.824 -3.753 8.012 364 HE2 LYS 52 HE2 LYS 52 -12.213 -1.537 8.960 365 HE3 LYS 52 HE1 LYS 52 -13.892 -1.042 8.753 366 HZ1 LYS 52 HZ1 LYS 52 -14.553 -2.850 10.228 367 HZ2 LYS 52 HZ2 LYS 52 -13.504 -1.776 11.000 368 HZ3 LYS 52 HZ3 LYS 52 -12.932 -3.273 10.460 369 H ASP 53 HN ASP 53 -12.996 1.774 5.562 370 HA ASP 53 HA ASP 53 -15.623 2.799 5.111 371 HB2 ASP 53 HB2 ASP 53 -13.058 3.971 6.179 372 HB3 ASP 53 HB1 ASP 53 -14.481 4.976 5.887 373 H LEU 54 HN LEU 54 -12.909 2.436 3.260 374 HA LEU 54 HA LEU 54 -13.303 4.762 1.570 375 HB2 LEU 54 HB2 LEU 54 -11.276 2.573 1.756 376 HB3 LEU 54 HB1 LEU 54 -11.352 3.559 0.316 377 HG LEU 54 HG LEU 54 -11.015 4.701 3.088 378 HD11 LEU 54 HD11 LEU 54 -8.623 4.954 2.461 379 HD12 LEU 54 HD12 LEU 54 -8.921 3.875 1.099 380 HD13 LEU 54 HD13 LEU 54 -9.134 3.292 2.751 381 HD21 LEU 54 HD21 LEU 54 -11.828 6.276 1.469 382 HD22 LEU 54 HD22 LEU 54 -10.571 5.801 0.327 383 HD23 LEU 54 HD23 LEU 54 -10.137 6.626 1.825 384 H GLY 55 HN GLY 55 -14.073 1.385 1.707 385 HA2 GLY 55 HA2 GLY 55 -15.976 0.847 0.169 386 HA3 GLY 55 HA1 GLY 55 -14.966 1.501 -1.112 387 H ILE 56 HN ILE 56 -12.862 0.122 0.869 388 HA ILE 56 HA ILE 56 -12.329 -2.099 -0.794 389 HB ILE 56 HB ILE 56 -11.347 -1.412 1.966 390 HG12 ILE 56 HG12 ILE 56 -10.286 0.125 0.674 391 HG13 ILE 56 HG11 ILE 56 -9.161 -1.204 0.541 392 HG21 ILE 56 HG21 ILE 56 -10.772 -3.731 0.228 393 HG22 ILE 56 HG22 ILE 56 -11.047 -3.651 1.973 394 HG23 ILE 56 HG23 ILE 56 -9.520 -3.089 1.284 395 HD11 ILE 56 HD11 ILE 56 -11.257 -0.520 -1.488 396 HD12 ILE 56 HD12 ILE 56 -10.048 -1.807 -1.613 397 HD13 ILE 56 HD13 ILE 56 -9.548 -0.116 -1.590 398 H ASP 57 HN ASP 57 -13.779 -3.754 -0.910 399 HA ASP 57 HA ASP 57 -13.986 -5.296 1.577 400 HB2 ASP 57 HB2 ASP 57 -16.160 -4.176 1.219 401 HB3 ASP 57 HB1 ASP 57 -16.273 -4.928 -0.370 402 H SER 58 HN SER 58 -12.653 -6.894 1.123 403 HA SER 58 HA SER 58 -11.712 -8.715 0.228 404 HB2 SER 58 HB2 SER 58 -13.291 -10.241 -1.141 405 HB3 SER 58 HB1 SER 58 -13.646 -9.949 0.562 406 HG SER 58 HG SER 58 -14.896 -8.057 -0.710 407 H LEU 59 HN LEU 59 -13.752 -7.806 -2.554 408 HA LEU 59 HA LEU 59 -11.960 -8.734 -4.486 409 HB2 LEU 59 HB2 LEU 59 -14.058 -6.582 -4.657 410 HB3 LEU 59 HB1 LEU 59 -13.172 -7.178 -6.036 411 HG LEU 59 HG LEU 59 -14.132 -9.424 -5.685 412 HD11 LEU 59 HD11 LEU 59 -15.991 -9.735 -4.160 413 HD12 LEU 59 HD12 LEU 59 -15.784 -8.090 -3.554 414 HD13 LEU 59 HD13 LEU 59 -14.521 -9.294 -3.289 415 HD21 LEU 59 HD21 LEU 59 -15.184 -7.948 -7.245 416 HD22 LEU 59 HD22 LEU 59 -16.041 -7.120 -5.947 417 HD23 LEU 59 HD23 LEU 59 -16.447 -8.791 -6.346 418 H THR 60 HN THR 60 -12.584 -5.425 -3.403 419 HA THR 60 HA THR 60 -10.410 -4.403 -4.981 420 HB THR 60 HB THR 60 -10.977 -2.282 -3.552 421 HG1 THR 60 HG1 THR 60 -13.561 -3.226 -3.423 422 HG21 THR 60 HG21 THR 60 -12.691 -1.712 -5.188 423 HG22 THR 60 HG22 THR 60 -12.883 -3.418 -5.600 424 HG23 THR 60 HG23 THR 60 -11.363 -2.589 -5.960 425 H ALA 61 HN ALA 61 -10.796 -5.745 -1.902 426 HA ALA 61 HA ALA 61 -8.456 -4.547 -0.747 427 HB1 ALA 61 HB1 ALA 61 -9.792 -7.145 0.021 428 HB2 ALA 61 HB2 ALA 61 -10.271 -5.556 0.617 429 HB3 ALA 61 HB3 ALA 61 -8.668 -6.192 0.997 430 H LEU 62 HN LEU 62 -9.225 -7.444 -2.602 431 HA LEU 62 HA LEU 62 -6.580 -8.478 -2.581 432 HB2 LEU 62 HB2 LEU 62 -8.934 -9.546 -3.196 433 HB3 LEU 62 HB1 LEU 62 -8.472 -9.018 -4.795 434 HG LEU 62 HG LEU 62 -7.647 -11.125 -4.903 435 HD11 LEU 62 HD11 LEU 62 -5.692 -9.705 -5.136 436 HD12 LEU 62 HD12 LEU 62 -5.272 -11.252 -4.400 437 HD13 LEU 62 HD13 LEU 62 -5.394 -9.801 -3.399 438 HD21 LEU 62 HD21 LEU 62 -8.506 -11.782 -2.737 439 HD22 LEU 62 HD22 LEU 62 -7.134 -11.010 -1.945 440 HD23 LEU 62 HD23 LEU 62 -6.878 -12.418 -2.972 441 H GLU 63 HN GLU 63 -8.495 -6.492 -4.900 442 HA GLU 63 HA GLU 63 -6.482 -6.290 -6.817 443 HB2 GLU 63 HB2 GLU 63 -8.580 -5.706 -7.567 444 HB3 GLU 63 HB1 GLU 63 -9.010 -4.915 -6.061 445 HG2 GLU 63 HG2 GLU 63 -8.891 -3.236 -7.676 446 HG3 GLU 63 HG1 GLU 63 -7.450 -3.119 -6.672 447 H LEU 64 HN LEU 64 -7.238 -4.421 -3.893 448 HA LEU 64 HA LEU 64 -5.264 -2.459 -4.081 449 HB2 LEU 64 HB2 LEU 64 -7.020 -3.423 -2.096 450 HB3 LEU 64 HB1 LEU 64 -5.396 -3.591 -1.432 451 HG LEU 64 HG LEU 64 -6.662 -1.048 -2.423 452 HD11 LEU 64 HD11 LEU 64 -6.518 -0.366 -0.098 453 HD12 LEU 64 HD12 LEU 64 -5.802 -1.924 0.331 454 HD13 LEU 64 HD13 LEU 64 -7.470 -1.850 -0.243 455 HD21 LEU 64 HD21 LEU 64 -4.598 0.035 -1.722 456 HD22 LEU 64 HD22 LEU 64 -4.261 -1.183 -2.960 457 HD23 LEU 64 HD23 LEU 64 -3.923 -1.530 -1.265 458 H ARG 65 HN ARG 65 -5.242 -5.701 -2.964 459 HA ARG 65 HA ARG 65 -2.604 -5.859 -2.009 460 HB2 ARG 65 HB2 ARG 65 -4.235 -7.490 -1.302 461 HB3 ARG 65 HB1 ARG 65 -4.524 -8.001 -2.961 462 HG2 ARG 65 HG2 ARG 65 -1.793 -8.297 -1.761 463 HG3 ARG 65 HG1 ARG 65 -3.063 -9.453 -1.357 464 HD2 ARG 65 HD2 ARG 65 -3.353 -10.000 -3.700 465 HD3 ARG 65 HD1 ARG 65 -2.183 -8.767 -4.162 466 HE ARG 65 HE ARG 65 -1.031 -10.648 -2.367 467 HH11 ARG 65 HH11 ARG 65 -2.032 -10.268 -5.716 468 HH12 ARG 65 HH12 ARG 65 -0.858 -11.395 -6.320 469 HH21 ARG 65 HH21 ARG 65 0.499 -12.146 -3.180 470 HH22 ARG 65 HH22 ARG 65 0.578 -12.452 -4.887 471 H ASN 66 HN ASN 66 -4.109 -6.812 -5.007 472 HA ASN 66 HA ASN 66 -1.912 -7.836 -6.343 473 HB2 ASN 66 HB2 ASN 66 -4.533 -6.680 -7.201 474 HB3 ASN 66 HB1 ASN 66 -3.347 -7.115 -8.419 475 HD21 ASN 66 HD21 ASN 66 -5.989 -8.279 -7.767 476 HD22 ASN 66 HD22 ASN 66 -5.688 -9.956 -7.485 477 H THR 67 HN THR 67 -3.052 -4.454 -6.187 478 HA THR 67 HA THR 67 -1.039 -3.574 -8.026 479 HB THR 67 HB THR 67 -2.665 -2.012 -6.032 480 HG1 THR 67 HG1 THR 67 -4.011 -2.767 -7.623 481 HG21 THR 67 HG21 THR 67 -0.604 -0.811 -6.549 482 HG22 THR 67 HG22 THR 67 -1.989 -0.015 -7.303 483 HG23 THR 67 HG23 THR 67 -0.910 -1.015 -8.276 484 H LEU 68 HN LEU 68 -1.355 -3.502 -4.497 485 HA LEU 68 HA LEU 68 1.012 -2.135 -3.968 486 HB2 LEU 68 HB2 LEU 68 -0.519 -4.129 -2.331 487 HB3 LEU 68 HB1 LEU 68 0.895 -3.301 -1.720 488 HG LEU 68 HG LEU 68 -1.843 -2.291 -2.174 489 HD11 LEU 68 HD11 LEU 68 0.357 -1.640 -0.231 490 HD12 LEU 68 HD12 LEU 68 -0.977 -2.761 0.042 491 HD13 LEU 68 HD13 LEU 68 -1.294 -1.041 -0.161 492 HD21 LEU 68 HD21 LEU 68 0.584 -0.528 -2.500 493 HD22 LEU 68 HD22 LEU 68 -1.088 0.016 -2.369 494 HD23 LEU 68 HD23 LEU 68 -0.581 -0.932 -3.763 495 H THR 69 HN THR 69 0.476 -5.677 -3.987 496 HA THR 69 HA THR 69 3.083 -6.349 -3.322 497 HB THR 69 HB THR 69 1.219 -7.982 -3.327 498 HG1 THR 69 HG1 THR 69 3.277 -8.872 -3.380 499 HG21 THR 69 HG21 THR 69 0.501 -9.039 -5.418 500 HG22 THR 69 HG22 THR 69 1.497 -7.908 -6.334 501 HG23 THR 69 HG23 THR 69 0.118 -7.317 -5.408 502 H HIS 70 HN HIS 70 1.761 -5.283 -6.356 503 HA HIS 70 HA HIS 70 3.971 -6.157 -7.939 504 HB2 HIS 70 HB2 HIS 70 1.699 -5.751 -8.901 505 HB3 HIS 70 HB1 HIS 70 1.883 -4.043 -8.539 506 HD1 HIS 70 HD1 HIS 70 2.980 -6.666 -10.966 507 HD2 HIS 70 HD2 HIS 70 3.583 -2.617 -10.248 508 HE1 HIS 70 HE1 HIS 70 4.056 -5.761 -13.050 509 HE2 HIS 70 HE2 HIS 70 4.589 -3.360 -12.510 510 H ASN 71 HN ASN 71 3.028 -3.148 -6.375 511 HA ASN 71 HA ASN 71 5.240 -1.725 -7.538 512 HB2 ASN 71 HB2 ASN 71 3.091 -0.926 -5.617 513 HB3 ASN 71 HB1 ASN 71 4.408 0.154 -6.077 514 HD21 ASN 71 HD21 ASN 71 1.578 -1.519 -7.144 515 HD22 ASN 71 HD22 ASN 71 1.369 -0.644 -8.617 516 H THR 72 HN THR 72 4.765 -3.577 -4.699 517 HA THR 72 HA THR 72 7.154 -2.347 -3.508 518 HB THR 72 HB THR 72 6.351 -3.076 -1.337 519 HG1 THR 72 HG1 THR 72 3.921 -3.897 -2.557 520 HG21 THR 72 HG21 THR 72 5.430 -0.945 -2.624 521 HG22 THR 72 HG22 THR 72 4.778 -1.424 -1.053 522 HG23 THR 72 HG23 THR 72 3.911 -1.850 -2.533 523 H GLY 73 HN GLY 73 5.804 -5.201 -4.829 524 HA2 GLY 73 HA2 GLY 73 7.007 -7.072 -5.470 525 HA3 GLY 73 HA1 GLY 73 8.388 -6.419 -4.615 526 H LEU 74 HN LEU 74 5.652 -6.479 -2.671 527 HA LEU 74 HA LEU 74 6.798 -8.715 -1.212 528 HB2 LEU 74 HB2 LEU 74 5.899 -6.266 -0.386 529 HB3 LEU 74 HB1 LEU 74 4.537 -7.307 -0.013 530 HG LEU 74 HG LEU 74 6.105 -8.817 1.200 531 HD11 LEU 74 HD11 LEU 74 8.331 -8.201 1.574 532 HD12 LEU 74 HD12 LEU 74 8.049 -6.540 1.057 533 HD13 LEU 74 HD13 LEU 74 8.065 -7.841 -0.140 534 HD21 LEU 74 HD21 LEU 74 6.216 -7.459 3.167 535 HD22 LEU 74 HD22 LEU 74 4.724 -7.067 2.311 536 HD23 LEU 74 HD23 LEU 74 6.111 -5.983 2.211 537 H ASP 75 HN ASP 75 6.059 -10.574 -1.432 538 HA ASP 75 HA ASP 75 3.585 -10.984 -2.887 539 HB2 ASP 75 HB2 ASP 75 5.662 -12.091 -3.570 540 HB3 ASP 75 HB1 ASP 75 5.711 -12.904 -2.014 541 H LEU 76 HN LEU 76 2.471 -10.202 -0.877 542 HA LEU 76 HA LEU 76 1.968 -12.421 0.972 543 HB2 LEU 76 HB2 LEU 76 2.543 -10.140 1.873 544 HB3 LEU 76 HB1 LEU 76 1.028 -9.566 1.205 545 HG LEU 76 HG LEU 76 -0.140 -11.284 2.637 546 HD11 LEU 76 HD11 LEU 76 1.104 -12.126 4.582 547 HD12 LEU 76 HD12 LEU 76 2.592 -11.475 3.894 548 HD13 LEU 76 HD13 LEU 76 1.727 -12.764 3.061 549 HD21 LEU 76 HD21 LEU 76 -0.090 -8.933 3.225 550 HD22 LEU 76 HD22 LEU 76 1.467 -9.149 4.025 551 HD23 LEU 76 HD23 LEU 76 0.027 -9.937 4.668 552 HA PRO 77 HA PRO 77 -1.938 -13.213 -1.123 553 HB2 PRO 77 HB2 PRO 77 -2.640 -14.504 1.449 554 HB3 PRO 77 HB1 PRO 77 -2.580 -15.198 -0.173 555 HG2 PRO 77 HG2 PRO 77 -0.740 -15.808 1.657 556 HG3 PRO 77 HG1 PRO 77 -0.315 -15.625 -0.056 557 HD2 PRO 77 HD2 PRO 77 0.077 -13.710 2.211 558 HD3 PRO 77 HD1 PRO 77 1.176 -14.123 0.879 559 HA PRO 78 HA PRO 78 -5.229 -10.526 0.426 560 HB2 PRO 78 HB2 PRO 78 -7.149 -12.311 1.414 561 HB3 PRO 78 HB1 PRO 78 -7.048 -11.694 -0.234 562 HG2 PRO 78 HG2 PRO 78 -6.063 -14.274 0.889 563 HG3 PRO 78 HG1 PRO 78 -6.799 -13.943 -0.691 564 HD2 PRO 78 HD2 PRO 78 -4.182 -14.317 -0.479 565 HD3 PRO 78 HD1 PRO 78 -4.820 -13.063 -1.559 566 H THR 79 HN THR 79 -7.018 -10.610 2.457 567 HA THR 79 HA THR 79 -7.279 -10.016 4.566 568 HB THR 79 HB THR 79 -6.383 -11.418 6.368 569 HG1 THR 79 HG1 THR 79 -4.601 -12.166 4.426 570 HG21 THR 79 HG21 THR 79 -7.447 -12.940 3.995 571 HG22 THR 79 HG22 THR 79 -8.401 -12.108 5.225 572 HG23 THR 79 HG23 THR 79 -7.440 -13.523 5.659 573 H LEU 80 HN LEU 80 -4.773 -9.056 2.987 574 HA LEU 80 HA LEU 80 -3.100 -8.036 5.064 575 HB2 LEU 80 HB2 LEU 80 -2.258 -8.336 2.800 576 HB3 LEU 80 HB1 LEU 80 -3.436 -7.194 2.183 577 HG LEU 80 HG LEU 80 -2.338 -5.368 3.332 578 HD11 LEU 80 HD11 LEU 80 -1.592 -6.509 5.329 579 HD12 LEU 80 HD12 LEU 80 -0.235 -5.702 4.544 580 HD13 LEU 80 HD13 LEU 80 -0.434 -7.445 4.388 581 HD21 LEU 80 HD21 LEU 80 -0.372 -7.087 1.830 582 HD22 LEU 80 HD22 LEU 80 -0.215 -5.356 2.123 583 HD23 LEU 80 HD23 LEU 80 -1.528 -5.963 1.115 584 H ILE 81 HN ILE 81 -5.855 -6.791 3.240 585 HA ILE 81 HA ILE 81 -5.866 -4.210 4.470 586 HB ILE 81 HB ILE 81 -8.262 -5.671 3.334 587 HG12 ILE 81 HG12 ILE 81 -6.629 -5.602 1.600 588 HG13 ILE 81 HG11 ILE 81 -7.752 -4.293 1.297 589 HG21 ILE 81 HG21 ILE 81 -9.219 -3.506 2.998 590 HG22 ILE 81 HG22 ILE 81 -7.738 -2.724 3.534 591 HG23 ILE 81 HG23 ILE 81 -8.723 -3.629 4.689 592 HD11 ILE 81 HD11 ILE 81 -5.116 -3.990 2.673 593 HD12 ILE 81 HD12 ILE 81 -6.220 -2.706 2.183 594 HD13 ILE 81 HD13 ILE 81 -5.404 -3.687 0.961 595 H PHE 82 HN PHE 82 -7.178 -7.308 5.248 596 HA PHE 82 HA PHE 82 -8.801 -6.567 7.417 597 HB2 PHE 82 HB2 PHE 82 -7.433 -9.179 6.740 598 HB3 PHE 82 HB1 PHE 82 -8.676 -8.991 7.964 599 HD1 PHE 82 HD1 PHE 82 -10.811 -9.538 7.395 600 HD2 PHE 82 HD2 PHE 82 -8.175 -8.210 4.322 601 HE1 PHE 82 HE1 PHE 82 -12.559 -9.940 5.720 602 HE2 PHE 82 HE2 PHE 82 -9.921 -8.620 2.647 603 HZ PHE 82 HZ PHE 82 -12.118 -9.485 3.342 604 H ASP 83 HN ASP 83 -5.389 -7.226 7.085 605 HA ASP 83 HA ASP 83 -4.946 -7.249 9.964 606 HB2 ASP 83 HB2 ASP 83 -3.666 -8.741 8.395 607 HB3 ASP 83 HB1 ASP 83 -2.902 -7.303 7.738 608 H HIS 84 HN HIS 84 -4.522 -5.171 7.196 609 HA HIS 84 HA HIS 84 -3.712 -2.961 8.969 610 HB2 HIS 84 HB2 HIS 84 -2.680 -3.626 6.215 611 HB3 HIS 84 HB1 HIS 84 -2.439 -2.063 6.966 612 HD1 HIS 84 HD1 HIS 84 -0.682 -1.938 8.882 613 HD2 HIS 84 HD2 HIS 84 -1.175 -5.732 7.257 614 HE1 HIS 84 HE1 HIS 84 1.247 -3.292 9.738 615 HE2 HIS 84 HE2 HIS 84 0.776 -5.634 8.948 616 HA PRO 85 HA PRO 85 -7.557 -2.097 6.853 617 HB2 PRO 85 HB2 PRO 85 -8.830 -0.849 8.828 618 HB3 PRO 85 HB1 PRO 85 -8.469 -2.576 8.922 619 HG2 PRO 85 HG2 PRO 85 -7.075 -0.277 10.225 620 HG3 PRO 85 HG1 PRO 85 -7.459 -1.877 10.887 621 HD2 PRO 85 HD2 PRO 85 -4.997 -1.117 9.831 622 HD3 PRO 85 HD1 PRO 85 -5.548 -2.788 10.054 623 H THR 86 HN THR 86 -5.153 0.199 7.453 624 HA THR 86 HA THR 86 -6.849 2.194 6.141 625 HB THR 86 HB THR 86 -5.729 3.995 7.323 626 HG1 THR 86 HG1 THR 86 -4.594 2.631 9.343 627 HG21 THR 86 HG21 THR 86 -6.893 1.916 9.172 628 HG22 THR 86 HG22 THR 86 -7.768 3.196 8.331 629 HG23 THR 86 HG23 THR 86 -6.620 3.603 9.606 630 HA PRO 87 HA PRO 87 -3.661 2.561 3.037 631 HB2 PRO 87 HB2 PRO 87 -3.794 5.496 3.406 632 HB3 PRO 87 HB1 PRO 87 -3.940 4.538 1.932 633 HG2 PRO 87 HG2 PRO 87 -6.096 5.623 3.070 634 HG3 PRO 87 HG1 PRO 87 -6.159 4.022 2.314 635 HD2 PRO 87 HD2 PRO 87 -6.087 4.751 5.208 636 HD3 PRO 87 HD1 PRO 87 -6.939 3.422 4.399 637 H HIS 88 HN HIS 88 -3.422 4.592 5.881 638 HA HIS 88 HA HIS 88 -0.622 4.904 5.948 639 HB2 HIS 88 HB2 HIS 88 -2.269 6.139 7.388 640 HB3 HIS 88 HB1 HIS 88 -2.506 4.664 8.307 641 HD1 HIS 88 HD1 HIS 88 0.277 7.118 7.471 642 HD2 HIS 88 HD2 HIS 88 -0.817 4.378 10.398 643 HE1 HIS 88 HE1 HIS 88 2.004 7.338 9.281 644 HE2 HIS 88 HE2 HIS 88 1.196 5.826 11.126 645 H ALA 89 HN ALA 89 -2.754 2.502 7.465 646 HA ALA 89 HA ALA 89 -0.842 0.917 8.705 647 HB1 ALA 89 HB1 ALA 89 -3.240 0.736 9.112 648 HB2 ALA 89 HB2 ALA 89 -2.521 -0.831 8.731 649 HB3 ALA 89 HB3 ALA 89 -3.456 0.033 7.507 650 H LEU 90 HN LEU 90 -2.393 0.223 5.523 651 HA LEU 90 HA LEU 90 -0.893 -1.974 4.822 652 HB2 LEU 90 HB2 LEU 90 -2.667 -0.218 3.542 653 HB3 LEU 90 HB1 LEU 90 -1.238 -0.248 2.550 654 HG LEU 90 HG LEU 90 -1.396 -2.619 2.237 655 HD11 LEU 90 HD11 LEU 90 -3.351 -3.848 3.172 656 HD12 LEU 90 HD12 LEU 90 -3.664 -2.456 4.201 657 HD13 LEU 90 HD13 LEU 90 -2.156 -3.355 4.364 658 HD21 LEU 90 HD21 LEU 90 -3.353 -2.726 0.922 659 HD22 LEU 90 HD22 LEU 90 -2.833 -1.041 0.885 660 HD23 LEU 90 HD23 LEU 90 -4.174 -1.527 1.919 661 H THR 91 HN THR 91 -0.177 1.419 4.349 662 HA THR 91 HA THR 91 2.196 1.127 2.950 663 HB THR 91 HB THR 91 1.119 3.279 4.765 664 HG1 THR 91 HG1 THR 91 0.126 3.417 2.864 665 HG21 THR 91 HG21 THR 91 3.402 3.635 5.100 666 HG22 THR 91 HG22 THR 91 2.986 4.732 3.781 667 HG23 THR 91 HG23 THR 91 3.807 3.209 3.441 668 H GLN 92 HN GLN 92 1.575 1.437 6.423 669 HA GLN 92 HA GLN 92 4.152 1.364 7.412 670 HB2 GLN 92 HB2 GLN 92 1.631 0.165 8.564 671 HB3 GLN 92 HB1 GLN 92 3.108 0.404 9.475 672 HG2 GLN 92 HG2 GLN 92 2.890 2.865 8.859 673 HG3 GLN 92 HG1 GLN 92 1.257 2.461 8.346 674 HE21 GLN 92 HE21 GLN 92 3.393 2.853 11.032 675 HE22 GLN 92 HE22 GLN 92 2.186 2.758 12.270 676 H HIS 93 HN HIS 93 2.088 -1.277 6.376 677 HA HIS 93 HA HIS 93 3.625 -3.443 7.264 678 HB2 HIS 93 HB2 HIS 93 1.364 -3.774 6.474 679 HB3 HIS 93 HB1 HIS 93 1.782 -3.166 4.879 680 HD1 HIS 93 HD1 HIS 93 2.412 -6.155 7.117 681 HD2 HIS 93 HD2 HIS 93 2.653 -5.067 3.103 682 HE1 HIS 93 HE1 HIS 93 2.891 -8.279 5.873 683 HE2 HIS 93 HE2 HIS 93 3.219 -7.578 3.483 684 H LEU 94 HN LEU 94 3.615 -1.898 4.033 685 HA LEU 94 HA LEU 94 5.756 -3.596 3.114 686 HB2 LEU 94 HB2 LEU 94 4.526 -1.124 1.877 687 HB3 LEU 94 HB1 LEU 94 5.545 -2.294 1.057 688 HG LEU 94 HG LEU 94 2.939 -3.077 2.336 689 HD11 LEU 94 HD11 LEU 94 1.798 -2.819 0.323 690 HD12 LEU 94 HD12 LEU 94 3.270 -2.444 -0.574 691 HD13 LEU 94 HD13 LEU 94 2.628 -1.287 0.614 692 HD21 LEU 94 HD21 LEU 94 4.536 -4.868 1.798 693 HD22 LEU 94 HD22 LEU 94 4.568 -4.327 0.115 694 HD23 LEU 94 HD23 LEU 94 3.078 -4.968 0.814 695 H HIS 95 HN HIS 95 5.516 -0.505 4.652 696 HA HIS 95 HA HIS 95 8.025 0.551 3.753 697 HB2 HIS 95 HB2 HIS 95 6.191 1.991 4.628 698 HB3 HIS 95 HB1 HIS 95 6.384 1.250 6.209 699 HD1 HIS 95 HD1 HIS 95 8.260 2.101 7.692 700 HD2 HIS 95 HD2 HIS 95 8.272 3.796 3.885 701 HE1 HIS 95 HE1 HIS 95 9.860 4.027 7.814 702 HE2 HIS 95 HE2 HIS 95 9.667 5.162 5.581 703 H THR 96 HN THR 96 6.911 -1.430 6.420 704 HA THR 96 HA THR 96 9.474 -1.378 7.739 705 HB THR 96 HB THR 96 6.755 -2.087 8.400 706 HG1 THR 96 HG1 THR 96 9.100 -1.731 9.986 707 HG21 THR 96 HG21 THR 96 7.444 -4.394 8.192 708 HG22 THR 96 HG22 THR 96 7.217 -3.983 9.894 709 HG23 THR 96 HG23 THR 96 8.844 -4.099 9.222 710 H ARG 97 HN ARG 97 7.531 -3.520 5.729 711 HA ARG 97 HA ARG 97 9.186 -5.790 6.069 712 HB2 ARG 97 HB2 ARG 97 7.016 -5.092 4.131 713 HB3 ARG 97 HB1 ARG 97 7.916 -6.594 3.996 714 HG2 ARG 97 HG2 ARG 97 6.479 -5.736 6.476 715 HG3 ARG 97 HG1 ARG 97 5.762 -6.774 5.243 716 HD2 ARG 97 HD2 ARG 97 7.474 -8.426 5.595 717 HD3 ARG 97 HD1 ARG 97 8.320 -7.375 6.721 718 HE ARG 97 HE ARG 97 5.622 -7.992 7.508 719 HH11 ARG 97 HH11 ARG 97 8.955 -9.045 7.576 720 HH12 ARG 97 HH12 ARG 97 8.759 -10.001 9.011 721 HH21 ARG 97 HH21 ARG 97 5.356 -9.249 9.406 722 HH22 ARG 97 HH22 ARG 97 6.719 -10.107 10.057 723 H LEU 98 HN LEU 98 9.373 -3.058 3.998 724 HA LEU 98 HA LEU 98 10.984 -3.853 1.952 725 HB2 LEU 98 HB2 LEU 98 10.619 -1.413 3.429 726 HB3 LEU 98 HB1 LEU 98 12.292 -1.590 2.971 727 HG LEU 98 HG LEU 98 11.740 -0.665 1.022 728 HD11 LEU 98 HD11 LEU 98 10.073 -3.119 0.497 729 HD12 LEU 98 HD12 LEU 98 11.831 -3.057 0.349 730 HD13 LEU 98 HD13 LEU 98 10.823 -2.058 -0.696 731 HD21 LEU 98 HD21 LEU 98 8.860 -1.279 1.609 732 HD22 LEU 98 HD22 LEU 98 9.468 -0.210 0.342 733 HD23 LEU 98 HD23 LEU 98 9.711 0.204 2.040 734 H THR 99 HN THR 99 12.035 -3.172 5.246 735 HA THR 99 HA THR 99 14.656 -4.303 4.680 736 HB THR 99 HB THR 99 14.988 -2.391 5.918 737 HG1 THR 99 HG1 THR 99 16.078 -3.310 7.454 738 HG21 THR 99 HG21 THR 99 12.623 -1.907 6.348 739 HG22 THR 99 HG22 THR 99 13.614 -1.632 7.784 740 HG23 THR 99 HG23 THR 99 12.624 -3.087 7.662 741 H GLN 100 HN GLN 100 11.895 -4.814 6.837 742 HA GLN 100 HA GLN 100 12.927 -7.195 8.010 743 HB2 GLN 100 HB2 GLN 100 10.094 -6.195 7.890 744 HB3 GLN 100 HB1 GLN 100 10.692 -7.445 8.965 745 HG2 GLN 100 HG2 GLN 100 11.693 -4.612 8.961 746 HG3 GLN 100 HG1 GLN 100 10.405 -5.206 10.007 747 HE21 GLN 100 HE21 GLN 100 13.808 -5.286 9.316 748 HE22 GLN 100 HE22 GLN 100 14.295 -6.038 10.797 749 H SER 101 HN SER 101 13.476 -8.054 5.749 750 HA SER 101 HA SER 101 11.629 -10.167 5.184 751 HB2 SER 101 HB2 SER 101 10.615 -8.418 3.826 752 HB3 SER 101 HB1 SER 101 12.154 -8.097 3.038 753 HG SER 101 HG SER 101 11.626 -9.597 1.677 754 H HIS 102 HN HIS 102 12.477 -11.454 3.260 755 HA HIS 102 HA HIS 102 15.308 -11.302 2.830 756 HB2 HIS 102 HB2 HIS 102 15.777 -13.602 3.658 757 HB3 HIS 102 HB1 HIS 102 15.405 -12.466 4.927 758 HD1 HIS 102 HD1 HIS 102 14.831 -15.811 4.240 759 HD2 HIS 102 HD2 HIS 102 12.331 -12.688 5.334 760 HE1 HIS 102 HE1 HIS 102 12.803 -16.900 5.247 761 HE2 HIS 102 HE2 HIS 102 11.372 -14.990 6.048 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 6.716 0.826 -12.289 2 H2 GLY 1 HT2 GLY 1 5.032 0.669 -12.267 3 H3 GLY 1 HT3 GLY 1 5.892 0.356 -13.687 4 HA2 GLY 1 HA1 GLY 1 6.042 -1.219 -11.182 5 HA3 GLY 1 HA2 GLY 1 5.219 -1.708 -12.657 6 H ALA 2 HN ALA 2 7.035 -3.424 -11.734 7 HA ALA 2 HA ALA 2 9.068 -3.447 -13.756 8 HB1 ALA 2 HB1 ALA 2 10.129 -1.945 -12.153 9 HB2 ALA 2 HB2 ALA 2 10.979 -3.489 -12.211 10 HB3 ALA 2 HB3 ALA 2 9.894 -3.130 -10.870 11 H ALA 3 HN ALA 3 10.592 -5.409 -13.294 12 HA ALA 3 HA ALA 3 9.117 -7.767 -12.848 13 HB1 ALA 3 HB1 ALA 3 11.171 -8.921 -12.981 14 HB2 ALA 3 HB2 ALA 3 12.082 -7.531 -12.387 15 HB3 ALA 3 HB3 ALA 3 11.387 -7.506 -14.017 16 H SER 4 HN SER 4 11.863 -6.744 -10.933 17 HA SER 4 HA SER 4 10.590 -7.618 -8.481 18 HB2 SER 4 HB2 SER 4 13.037 -6.883 -7.743 19 HB3 SER 4 HB1 SER 4 12.736 -8.443 -8.489 20 HG SER 4 HG SER 4 13.590 -6.065 -9.795 21 H ALA 5 HN ALA 5 9.054 -5.920 -8.270 22 HA ALA 5 HA ALA 5 9.854 -3.193 -8.560 23 HB1 ALA 5 HB1 ALA 5 7.580 -2.654 -7.927 24 HB2 ALA 5 HB2 ALA 5 7.306 -4.320 -7.420 25 HB3 ALA 5 HB3 ALA 5 7.599 -3.953 -9.120 26 H ALA 6 HN ALA 6 10.375 -5.333 -6.048 27 HA ALA 6 HA ALA 6 9.965 -3.444 -3.896 28 HB1 ALA 6 HB1 ALA 6 11.098 -5.140 -2.507 29 HB2 ALA 6 HB2 ALA 6 11.397 -6.102 -3.957 30 HB3 ALA 6 HB3 ALA 6 9.742 -5.802 -3.418 31 H THR 7 HN THR 7 12.304 -4.047 -6.252 32 HA THR 7 HA THR 7 14.263 -2.477 -4.742 33 HB THR 7 HB THR 7 15.176 -4.558 -5.613 34 HG1 THR 7 HG1 THR 7 16.106 -2.075 -6.502 35 HG21 THR 7 HG21 THR 7 14.505 -3.449 -8.334 36 HG22 THR 7 HG22 THR 7 13.794 -4.881 -7.586 37 HG23 THR 7 HG23 THR 7 15.501 -4.873 -8.038 38 H ASP 8 HN ASP 8 11.718 -2.036 -6.726 39 HA ASP 8 HA ASP 8 12.868 0.301 -8.057 40 HB2 ASP 8 HB2 ASP 8 10.739 -1.531 -8.715 41 HB3 ASP 8 HB1 ASP 8 10.119 0.109 -8.560 42 H LEU 9 HN LEU 9 10.591 -0.886 -5.749 43 HA LEU 9 HA LEU 9 9.297 1.561 -5.190 44 HB2 LEU 9 HB2 LEU 9 8.248 -0.468 -4.518 45 HB3 LEU 9 HB1 LEU 9 9.652 -0.970 -3.605 46 HG LEU 9 HG LEU 9 9.322 1.060 -2.159 47 HD11 LEU 9 HD11 LEU 9 7.912 2.325 -3.666 48 HD12 LEU 9 HD12 LEU 9 7.106 2.058 -2.112 49 HD13 LEU 9 HD13 LEU 9 6.637 1.099 -3.517 50 HD21 LEU 9 HD21 LEU 9 7.133 -0.995 -2.107 51 HD22 LEU 9 HD22 LEU 9 7.731 -0.043 -0.751 52 HD23 LEU 9 HD23 LEU 9 8.771 -1.242 -1.516 53 H ALA 10 HN ALA 10 11.612 -0.356 -3.407 54 HA ALA 10 HA ALA 10 12.461 1.586 -1.563 55 HB1 ALA 10 HB1 ALA 10 13.005 -0.797 -1.355 56 HB2 ALA 10 HB2 ALA 10 14.453 0.206 -1.266 57 HB3 ALA 10 HB3 ALA 10 14.079 -0.674 -2.748 58 H ALA 11 HN ALA 11 12.764 1.657 -4.886 59 HA ALA 11 HA ALA 11 15.291 3.038 -5.010 60 HB1 ALA 11 HB1 ALA 11 13.135 2.581 -7.059 61 HB2 ALA 11 HB2 ALA 11 14.656 1.694 -6.897 62 HB3 ALA 11 HB3 ALA 11 14.673 3.390 -7.381 63 H ARG 12 HN ARG 12 11.785 3.810 -5.127 64 HA ARG 12 HA ARG 12 12.080 6.603 -5.328 65 HB2 ARG 12 HB2 ARG 12 9.994 4.770 -4.218 66 HB3 ARG 12 HB1 ARG 12 9.812 6.499 -4.048 67 HG2 ARG 12 HG2 ARG 12 8.546 5.976 -5.898 68 HG3 ARG 12 HG1 ARG 12 10.069 6.527 -6.597 69 HD2 ARG 12 HD2 ARG 12 10.728 4.388 -7.166 70 HD3 ARG 12 HD1 ARG 12 9.635 3.653 -5.996 71 HE ARG 12 HE ARG 12 7.896 4.764 -7.681 72 HH11 ARG 12 HH11 ARG 12 10.763 2.879 -8.329 73 HH12 ARG 12 HH12 ARG 12 10.154 2.201 -9.811 74 HH21 ARG 12 HH21 ARG 12 7.074 3.883 -9.641 75 HH22 ARG 12 HH22 ARG 12 8.054 2.781 -10.554 76 H LEU 13 HN LEU 13 12.376 4.326 -2.755 77 HA LEU 13 HA LEU 13 11.954 6.237 -0.634 78 HB2 LEU 13 HB2 LEU 13 12.450 3.313 -0.808 79 HB3 LEU 13 HB1 LEU 13 12.701 4.124 0.722 80 HG LEU 13 HG LEU 13 10.400 4.758 0.856 81 HD11 LEU 13 HD11 LEU 13 8.829 3.856 -0.956 82 HD12 LEU 13 HD12 LEU 13 10.277 3.928 -1.980 83 HD13 LEU 13 HD13 LEU 13 9.671 5.389 -1.184 84 HD21 LEU 13 HD21 LEU 13 10.925 2.502 1.574 85 HD22 LEU 13 HD22 LEU 13 10.578 1.909 -0.051 86 HD23 LEU 13 HD23 LEU 13 9.289 2.613 0.925 87 H ASN 14 HN ASN 14 14.535 4.220 -1.819 88 HA ASN 14 HA ASN 14 16.634 5.036 -0.230 89 HB2 ASN 14 HB2 ASN 14 16.274 3.959 -2.951 90 HB3 ASN 14 HB1 ASN 14 17.857 4.687 -2.619 91 HD21 ASN 14 HD21 ASN 14 17.121 1.922 -3.155 92 HD22 ASN 14 HD22 ASN 14 17.635 0.996 -1.789 93 H GLY 15 HN GLY 15 17.612 6.897 0.090 94 HA2 GLY 15 HA2 GLY 15 18.575 8.955 -0.686 95 HA3 GLY 15 HA1 GLY 15 17.347 9.013 -1.944 96 H LEU 16 HN LEU 16 15.486 8.027 0.316 97 HA LEU 16 HA LEU 16 14.852 10.724 1.281 98 HB2 LEU 16 HB2 LEU 16 13.170 8.292 0.780 99 HB3 LEU 16 HB1 LEU 16 12.595 9.602 1.779 100 HG LEU 16 HG LEU 16 13.420 9.870 -1.107 101 HD11 LEU 16 HD11 LEU 16 11.011 10.157 -1.517 102 HD12 LEU 16 HD12 LEU 16 10.686 9.757 0.169 103 HD13 LEU 16 HD13 LEU 16 11.389 8.548 -0.905 104 HD21 LEU 16 HD21 LEU 16 12.218 12.069 -0.789 105 HD22 LEU 16 HD22 LEU 16 13.785 11.906 0.002 106 HD23 LEU 16 HD23 LEU 16 12.300 11.749 0.951 107 H SER 17 HN SER 17 13.854 10.861 3.387 108 HA SER 17 HA SER 17 15.037 9.155 5.404 109 HB2 SER 17 HB2 SER 17 13.151 11.510 5.558 110 HB3 SER 17 HB1 SER 17 13.864 10.709 6.947 111 HG SER 17 HG SER 17 15.712 11.434 5.061 112 HA PRO 18 HA PRO 18 12.091 5.983 6.274 113 HB2 PRO 18 HB2 PRO 18 11.717 7.665 8.712 114 HB3 PRO 18 HB1 PRO 18 11.873 5.912 8.575 115 HG2 PRO 18 HG2 PRO 18 13.943 7.616 9.163 116 HG3 PRO 18 HG1 PRO 18 14.148 6.002 8.487 117 HD2 PRO 18 HD2 PRO 18 14.766 8.516 7.292 118 HD3 PRO 18 HD1 PRO 18 14.892 6.906 6.555 119 H GLN 19 HN GLN 19 10.867 9.130 7.483 120 HA GLN 19 HA GLN 19 8.129 8.430 7.142 121 HB2 GLN 19 HB2 GLN 19 9.007 10.184 8.703 122 HB3 GLN 19 HB1 GLN 19 9.304 11.203 7.303 123 HG2 GLN 19 HG2 GLN 19 7.252 11.925 8.150 124 HG3 GLN 19 HG1 GLN 19 6.869 10.922 6.752 125 HE21 GLN 19 HE21 GLN 19 7.862 9.559 9.807 126 HE22 GLN 19 HE22 GLN 19 6.327 8.873 10.211 127 H GLN 20 HN GLN 20 10.438 10.098 5.059 128 HA GLN 20 HA GLN 20 8.484 10.961 3.150 129 HB2 GLN 20 HB2 GLN 20 11.474 10.663 3.043 130 HB3 GLN 20 HB1 GLN 20 10.533 11.156 1.636 131 HG2 GLN 20 HG2 GLN 20 9.589 12.998 3.121 132 HG3 GLN 20 HG1 GLN 20 10.888 12.583 4.224 133 HE21 GLN 20 HE21 GLN 20 12.991 13.091 3.710 134 HE22 GLN 20 HE22 GLN 20 13.401 14.137 2.397 135 H GLN 21 HN GLN 21 10.709 8.290 3.481 136 HA GLN 21 HA GLN 21 10.125 6.841 1.183 137 HB2 GLN 21 HB2 GLN 21 10.825 5.950 3.989 138 HB3 GLN 21 HB1 GLN 21 10.763 4.850 2.623 139 HG2 GLN 21 HG2 GLN 21 12.510 6.119 1.514 140 HG3 GLN 21 HG1 GLN 21 12.572 7.247 2.869 141 HE21 GLN 21 HE21 GLN 21 12.094 3.799 3.234 142 HE22 GLN 21 HE22 GLN 21 13.631 3.462 3.945 143 H GLN 22 HN GLN 22 8.528 7.049 4.282 144 HA GLN 22 HA GLN 22 6.560 5.079 3.829 145 HB2 GLN 22 HB2 GLN 22 7.361 6.404 5.995 146 HB3 GLN 22 HB1 GLN 22 5.977 7.383 5.585 147 HG2 GLN 22 HG2 GLN 22 4.678 5.206 5.515 148 HG3 GLN 22 HG1 GLN 22 6.107 4.528 6.274 149 HE21 GLN 22 HE21 GLN 22 5.010 7.744 6.967 150 HE22 GLN 22 HE22 GLN 22 4.515 7.427 8.592 151 H GLN 23 HN GLN 23 6.628 8.575 3.360 152 HA GLN 23 HA GLN 23 4.038 9.055 2.563 153 HB2 GLN 23 HB2 GLN 23 6.567 10.264 1.584 154 HB3 GLN 23 HB1 GLN 23 4.976 10.949 1.291 155 HG2 GLN 23 HG2 GLN 23 4.623 11.299 3.615 156 HG3 GLN 23 HG1 GLN 23 6.082 10.424 4.027 157 HE21 GLN 23 HE21 GLN 23 5.356 13.099 4.767 158 HE22 GLN 23 HE22 GLN 23 6.567 14.150 4.123 159 H THR 24 HN THR 24 6.740 7.944 0.572 160 HA THR 24 HA THR 24 5.494 8.084 -1.928 161 HB THR 24 HB THR 24 7.642 6.350 -0.770 162 HG1 THR 24 HG1 THR 24 7.762 8.702 -1.534 163 HG21 THR 24 HG21 THR 24 8.072 5.369 -2.947 164 HG22 THR 24 HG22 THR 24 6.732 6.272 -3.655 165 HG23 THR 24 HG23 THR 24 6.410 5.004 -2.470 166 H LEU 25 HN LEU 25 5.471 5.487 0.500 167 HA LEU 25 HA LEU 25 3.702 3.797 -1.045 168 HB2 LEU 25 HB2 LEU 25 4.314 3.853 1.894 169 HB3 LEU 25 HB1 LEU 25 3.437 2.583 1.073 170 HG LEU 25 HG LEU 25 6.219 3.220 0.209 171 HD11 LEU 25 HD11 LEU 25 5.521 1.445 2.545 172 HD12 LEU 25 HD12 LEU 25 6.180 3.075 2.696 173 HD13 LEU 25 HD13 LEU 25 7.131 1.806 1.915 174 HD21 LEU 25 HD21 LEU 25 6.193 0.789 -0.221 175 HD22 LEU 25 HD22 LEU 25 4.927 1.645 -1.095 176 HD23 LEU 25 HD23 LEU 25 4.530 0.724 0.357 177 H ALA 26 HN ALA 26 3.495 6.075 1.589 178 HA ALA 26 HA ALA 26 0.726 5.878 2.065 179 HB1 ALA 26 HB1 ALA 26 1.072 7.653 3.574 180 HB2 ALA 26 HB2 ALA 26 2.396 8.318 2.613 181 HB3 ALA 26 HB3 ALA 26 2.637 6.823 3.519 182 H THR 27 HN THR 27 2.073 6.728 -0.649 183 HA THR 27 HA THR 27 -0.037 8.603 -1.408 184 HB THR 27 HB THR 27 2.856 8.422 -2.210 185 HG1 THR 27 HG1 THR 27 2.548 9.937 -0.680 186 HG21 THR 27 HG21 THR 27 0.723 9.843 -3.795 187 HG22 THR 27 HG22 THR 27 1.588 8.380 -4.289 188 HG23 THR 27 HG23 THR 27 2.463 9.902 -4.088 189 H LEU 28 HN LEU 28 2.180 6.099 -2.444 190 HA LEU 28 HA LEU 28 0.912 5.394 -4.825 191 HB2 LEU 28 HB2 LEU 28 3.111 4.782 -4.776 192 HB3 LEU 28 HB1 LEU 28 3.023 4.279 -3.102 193 HG LEU 28 HG LEU 28 1.376 2.487 -4.176 194 HD11 LEU 28 HD11 LEU 28 3.484 2.794 -6.283 195 HD12 LEU 28 HD12 LEU 28 1.847 3.427 -6.442 196 HD13 LEU 28 HD13 LEU 28 2.101 1.687 -6.271 197 HD21 LEU 28 HD21 LEU 28 3.082 1.911 -2.680 198 HD22 LEU 28 HD22 LEU 28 4.347 2.350 -3.838 199 HD23 LEU 28 HD23 LEU 28 3.327 0.939 -4.136 200 H VAL 29 HN VAL 29 0.870 4.048 -1.605 201 HA VAL 29 HA VAL 29 -0.714 1.791 -2.201 202 HB VAL 29 HB VAL 29 -0.177 3.275 0.367 203 HG11 VAL 29 HG11 VAL 29 -1.651 0.654 0.072 204 HG12 VAL 29 HG12 VAL 29 -2.406 2.201 0.461 205 HG13 VAL 29 HG13 VAL 29 -1.249 1.475 1.581 206 HG21 VAL 29 HG21 VAL 29 0.710 0.555 -0.582 207 HG22 VAL 29 HG22 VAL 29 1.247 1.403 0.869 208 HG23 VAL 29 HG23 VAL 29 1.664 2.030 -0.730 209 H ALA 30 HN ALA 30 -1.361 5.062 -1.315 210 HA ALA 30 HA ALA 30 -4.187 4.763 -1.098 211 HB1 ALA 30 HB1 ALA 30 -2.950 6.531 0.033 212 HB2 ALA 30 HB2 ALA 30 -4.201 7.173 -1.035 213 HB3 ALA 30 HB3 ALA 30 -2.512 7.206 -1.536 214 H ALA 31 HN ALA 31 -1.893 5.623 -3.542 215 HA ALA 31 HA ALA 31 -3.651 6.377 -5.598 216 HB1 ALA 31 HB1 ALA 31 -1.322 6.864 -5.785 217 HB2 ALA 31 HB2 ALA 31 -1.695 5.703 -7.062 218 HB3 ALA 31 HB3 ALA 31 -0.886 5.171 -5.582 219 H ALA 32 HN ALA 32 -2.238 3.334 -4.612 220 HA ALA 32 HA ALA 32 -3.454 1.555 -6.334 221 HB1 ALA 32 HB1 ALA 32 -1.794 0.748 -4.900 222 HB2 ALA 32 HB2 ALA 32 -3.277 0.008 -4.289 223 HB3 ALA 32 HB3 ALA 32 -2.583 1.417 -3.473 224 H THR 33 HN THR 33 -4.679 2.803 -3.197 225 HA THR 33 HA THR 33 -7.177 1.394 -3.507 226 HB THR 33 HB THR 33 -6.664 3.716 -1.641 227 HG1 THR 33 HG1 THR 33 -4.999 2.061 -1.466 228 HG21 THR 33 HG21 THR 33 -8.232 2.338 -0.206 229 HG22 THR 33 HG22 THR 33 -8.536 1.354 -1.642 230 HG23 THR 33 HG23 THR 33 -8.946 3.068 -1.643 231 H ALA 34 HN ALA 34 -5.912 4.441 -4.523 232 HA ALA 34 HA ALA 34 -8.380 5.721 -5.038 233 HB1 ALA 34 HB1 ALA 34 -5.736 6.137 -6.433 234 HB2 ALA 34 HB2 ALA 34 -6.217 6.905 -4.918 235 HB3 ALA 34 HB3 ALA 34 -7.105 7.253 -6.405 236 H THR 35 HN THR 35 -6.471 3.342 -6.671 237 HA THR 35 HA THR 35 -7.868 3.398 -9.140 238 HB THR 35 HB THR 35 -5.850 1.688 -7.807 239 HG1 THR 35 HG1 THR 35 -6.025 3.339 -9.932 240 HG21 THR 35 HG21 THR 35 -6.102 -0.155 -9.322 241 HG22 THR 35 HG22 THR 35 -7.458 0.641 -10.124 242 HG23 THR 35 HG23 THR 35 -7.619 0.101 -8.448 243 H VAL 36 HN VAL 36 -8.003 1.337 -6.235 244 HA VAL 36 HA VAL 36 -9.815 -0.530 -7.205 245 HB VAL 36 HB VAL 36 -10.298 -1.061 -4.832 246 HG11 VAL 36 HG11 VAL 36 -7.968 -1.665 -4.210 247 HG12 VAL 36 HG12 VAL 36 -7.446 -0.807 -5.664 248 HG13 VAL 36 HG13 VAL 36 -8.507 -2.213 -5.794 249 HG21 VAL 36 HG21 VAL 36 -8.816 1.436 -4.392 250 HG22 VAL 36 HG22 VAL 36 -8.677 0.123 -3.224 251 HG23 VAL 36 HG23 VAL 36 -10.258 0.812 -3.589 252 H LEU 37 HN LEU 37 -10.417 2.641 -5.853 253 HA LEU 37 HA LEU 37 -13.281 2.049 -5.667 254 HB2 LEU 37 HB2 LEU 37 -11.931 4.590 -4.838 255 HB3 LEU 37 HB1 LEU 37 -13.456 3.935 -4.279 256 HG LEU 37 HG LEU 37 -10.796 2.651 -3.723 257 HD11 LEU 37 HD11 LEU 37 -12.395 4.515 -1.990 258 HD12 LEU 37 HD12 LEU 37 -10.856 4.874 -2.774 259 HD13 LEU 37 HD13 LEU 37 -10.937 3.641 -1.518 260 HD21 LEU 37 HD21 LEU 37 -12.677 1.146 -3.589 261 HD22 LEU 37 HD22 LEU 37 -13.541 2.279 -2.552 262 HD23 LEU 37 HD23 LEU 37 -12.073 1.495 -1.969 263 H GLY 38 HN GLY 38 -11.291 3.079 -8.030 264 HA2 GLY 38 HA2 GLY 38 -11.574 4.320 -9.942 265 HA3 GLY 38 HA1 GLY 38 -13.288 4.350 -9.565 266 H HIS 39 HN HIS 39 -10.608 5.676 -7.675 267 HA HIS 39 HA HIS 39 -11.896 8.317 -7.859 268 HB2 HIS 39 HB2 HIS 39 -10.165 7.036 -5.762 269 HB3 HIS 39 HB1 HIS 39 -10.303 8.786 -5.849 270 HD1 HIS 39 HD1 HIS 39 -11.692 9.285 -3.824 271 HD2 HIS 39 HD2 HIS 39 -13.308 6.231 -6.143 272 HE1 HIS 39 HE1 HIS 39 -13.932 8.768 -2.807 273 HE2 HIS 39 HE2 HIS 39 -14.954 7.038 -4.320 274 H HIS 40 HN HIS 40 -8.886 6.601 -8.252 275 HA HIS 40 HA HIS 40 -6.969 7.032 -9.350 276 HB2 HIS 40 HB2 HIS 40 -8.392 7.936 -11.154 277 HB3 HIS 40 HB1 HIS 40 -8.325 9.524 -10.398 278 HD1 HIS 40 HD1 HIS 40 -7.090 10.697 -12.287 279 HD2 HIS 40 HD2 HIS 40 -5.104 7.318 -10.904 280 HE1 HIS 40 HE1 HIS 40 -4.813 10.771 -13.345 281 HE2 HIS 40 HE2 HIS 40 -3.570 8.825 -12.340 282 H THR 41 HN THR 41 -8.328 9.704 -7.517 283 HA THR 41 HA THR 41 -5.756 10.937 -7.101 284 HB THR 41 HB THR 41 -7.147 12.253 -5.373 285 HG1 THR 41 HG1 THR 41 -9.431 12.245 -6.119 286 HG21 THR 41 HG21 THR 41 -8.098 13.665 -7.184 287 HG22 THR 41 HG22 THR 41 -7.586 12.433 -8.338 288 HG23 THR 41 HG23 THR 41 -6.385 13.288 -7.364 289 HA PRO 42 HA PRO 42 -4.993 8.564 -3.340 290 HB2 PRO 42 HB2 PRO 42 -2.443 9.940 -3.278 291 HB3 PRO 42 HB1 PRO 42 -2.762 8.229 -3.556 292 HG2 PRO 42 HG2 PRO 42 -1.817 9.898 -5.493 293 HG3 PRO 42 HG1 PRO 42 -2.809 8.467 -5.829 294 HD2 PRO 42 HD2 PRO 42 -3.634 11.346 -5.694 295 HD3 PRO 42 HD1 PRO 42 -4.118 10.093 -6.853 296 H GLU 43 HN GLU 43 -5.013 11.889 -4.081 297 HA GLU 43 HA GLU 43 -4.638 12.965 -1.486 298 HB2 GLU 43 HB2 GLU 43 -6.082 14.102 -3.871 299 HB3 GLU 43 HB1 GLU 43 -5.603 15.014 -2.444 300 HG2 GLU 43 HG2 GLU 43 -3.280 14.591 -2.935 301 HG3 GLU 43 HG1 GLU 43 -3.753 13.571 -4.288 302 H SER 44 HN SER 44 -7.343 11.794 -3.338 303 HA SER 44 HA SER 44 -9.310 12.586 -1.404 304 HB2 SER 44 HB2 SER 44 -10.252 12.600 -3.491 305 HB3 SER 44 HB1 SER 44 -9.317 11.221 -4.050 306 HG SER 44 HG SER 44 -11.389 11.026 -2.115 307 H ILE 45 HN ILE 45 -7.223 9.951 -1.924 308 HA ILE 45 HA ILE 45 -8.694 8.089 -0.259 309 HB ILE 45 HB ILE 45 -5.882 7.898 -1.322 310 HG12 ILE 45 HG12 ILE 45 -7.462 8.077 -3.151 311 HG13 ILE 45 HG11 ILE 45 -6.838 6.438 -3.047 312 HG21 ILE 45 HG21 ILE 45 -7.686 5.721 -0.273 313 HG22 ILE 45 HG22 ILE 45 -6.330 6.431 0.608 314 HG23 ILE 45 HG23 ILE 45 -6.039 5.525 -0.877 315 HD11 ILE 45 HD11 ILE 45 -9.506 7.332 -2.007 316 HD12 ILE 45 HD12 ILE 45 -8.881 5.683 -2.026 317 HD13 ILE 45 HD13 ILE 45 -9.224 6.515 -3.542 318 H SER 46 HN SER 46 -8.812 9.188 1.749 319 HA SER 46 HA SER 46 -6.502 10.219 3.037 320 HB2 SER 46 HB2 SER 46 -8.991 9.293 4.432 321 HB3 SER 46 HB1 SER 46 -7.878 10.555 4.930 322 HG SER 46 HG SER 46 -10.020 10.700 3.254 323 HA PRO 47 HA PRO 47 -4.772 6.450 4.373 324 HB2 PRO 47 HB2 PRO 47 -2.870 7.376 5.958 325 HB3 PRO 47 HB1 PRO 47 -2.928 7.902 4.277 326 HG2 PRO 47 HG2 PRO 47 -3.756 9.349 6.740 327 HG3 PRO 47 HG1 PRO 47 -2.997 9.981 5.275 328 HD2 PRO 47 HD2 PRO 47 -5.758 9.995 5.909 329 HD3 PRO 47 HD1 PRO 47 -5.026 10.406 4.336 330 H ALA 48 HN ALA 48 -6.663 8.257 6.381 331 HA ALA 48 HA ALA 48 -6.258 6.445 8.629 332 HB1 ALA 48 HB1 ALA 48 -5.303 8.736 8.864 333 HB2 ALA 48 HB2 ALA 48 -6.430 8.247 10.138 334 HB3 ALA 48 HB3 ALA 48 -6.961 9.345 8.862 335 H THR 49 HN THR 49 -8.293 7.257 6.274 336 HA THR 49 HA THR 49 -10.807 7.419 7.559 337 HB THR 49 HB THR 49 -9.891 6.756 4.778 338 HG1 THR 49 HG1 THR 49 -11.621 8.815 5.032 339 HG21 THR 49 HG21 THR 49 -12.200 6.708 4.049 340 HG22 THR 49 HG22 THR 49 -12.747 6.892 5.716 341 HG23 THR 49 HG23 THR 49 -11.881 5.433 5.227 342 H ALA 50 HN ALA 50 -8.936 4.867 6.111 343 HA ALA 50 HA ALA 50 -8.737 2.644 6.761 344 HB1 ALA 50 HB1 ALA 50 -10.193 2.834 8.720 345 HB2 ALA 50 HB2 ALA 50 -10.541 1.384 7.775 346 HB3 ALA 50 HB3 ALA 50 -11.608 2.788 7.665 347 H PHE 51 HN PHE 51 -8.860 1.068 5.415 348 HA PHE 51 HA PHE 51 -9.789 1.376 2.831 349 HB2 PHE 51 HB2 PHE 51 -9.166 -1.082 4.444 350 HB3 PHE 51 HB1 PHE 51 -9.526 -1.147 2.718 351 HD1 PHE 51 HD1 PHE 51 -8.195 1.105 1.616 352 HD2 PHE 51 HD2 PHE 51 -6.957 -1.463 4.749 353 HE1 PHE 51 HE1 PHE 51 -5.856 1.630 1.106 354 HE2 PHE 51 HE2 PHE 51 -4.606 -0.951 4.262 355 HZ PHE 51 HZ PHE 51 -4.057 0.640 2.430 356 H LYS 52 HN LYS 52 -11.266 -0.428 5.488 357 HA LYS 52 HA LYS 52 -13.557 -1.335 4.305 358 HB2 LYS 52 HB2 LYS 52 -13.195 -0.120 7.055 359 HB3 LYS 52 HB1 LYS 52 -14.581 -1.091 6.568 360 HG2 LYS 52 HG2 LYS 52 -13.020 -2.967 6.119 361 HG3 LYS 52 HG1 LYS 52 -11.708 -1.972 6.737 362 HD2 LYS 52 HD2 LYS 52 -14.151 -2.793 8.285 363 HD3 LYS 52 HD1 LYS 52 -12.574 -3.565 8.412 364 HE2 LYS 52 HE2 LYS 52 -11.645 -1.354 9.102 365 HE3 LYS 52 HE1 LYS 52 -13.296 -0.736 9.122 366 HZ1 LYS 52 HZ1 LYS 52 -12.245 -2.948 10.800 367 HZ2 LYS 52 HZ2 LYS 52 -13.847 -2.409 10.793 368 HZ3 LYS 52 HZ3 LYS 52 -12.612 -1.384 11.327 369 H ASP 53 HN ASP 53 -12.855 1.816 5.675 370 HA ASP 53 HA ASP 53 -15.505 2.814 5.198 371 HB2 ASP 53 HB2 ASP 53 -12.988 4.078 6.311 372 HB3 ASP 53 HB1 ASP 53 -14.497 4.973 6.086 373 H LEU 54 HN LEU 54 -12.874 2.350 3.314 374 HA LEU 54 HA LEU 54 -13.130 4.766 1.704 375 HB2 LEU 54 HB2 LEU 54 -11.180 2.519 1.872 376 HB3 LEU 54 HB1 LEU 54 -11.262 3.440 0.391 377 HG LEU 54 HG LEU 54 -10.837 4.727 3.083 378 HD11 LEU 54 HD11 LEU 54 -8.786 3.717 1.131 379 HD12 LEU 54 HD12 LEU 54 -9.035 3.174 2.793 380 HD13 LEU 54 HD13 LEU 54 -8.446 4.808 2.474 381 HD21 LEU 54 HD21 LEU 54 -10.330 5.609 0.255 382 HD22 LEU 54 HD22 LEU 54 -9.899 6.525 1.700 383 HD23 LEU 54 HD23 LEU 54 -11.594 6.205 1.330 384 H GLY 55 HN GLY 55 -13.978 1.401 1.686 385 HA2 GLY 55 HA2 GLY 55 -15.866 0.927 0.110 386 HA3 GLY 55 HA1 GLY 55 -14.859 1.675 -1.121 387 H ILE 56 HN ILE 56 -12.815 0.123 0.890 388 HA ILE 56 HA ILE 56 -12.244 -2.023 -0.848 389 HB ILE 56 HB ILE 56 -11.449 -1.464 2.000 390 HG12 ILE 56 HG12 ILE 56 -10.145 -0.049 0.812 391 HG13 ILE 56 HG11 ILE 56 -9.156 -1.486 0.702 392 HG21 ILE 56 HG21 ILE 56 -10.958 -3.866 0.367 393 HG22 ILE 56 HG22 ILE 56 -11.297 -3.709 2.094 394 HG23 ILE 56 HG23 ILE 56 -9.702 -3.287 1.459 395 HD11 ILE 56 HD11 ILE 56 -10.240 -1.954 -1.505 396 HD12 ILE 56 HD12 ILE 56 -9.207 -0.529 -1.439 397 HD13 ILE 56 HD13 ILE 56 -10.959 -0.342 -1.396 398 H ASP 57 HN ASP 57 -13.255 -3.886 -1.094 399 HA ASP 57 HA ASP 57 -14.741 -5.061 1.120 400 HB2 ASP 57 HB2 ASP 57 -16.002 -3.922 -1.316 401 HB3 ASP 57 HB1 ASP 57 -16.608 -5.481 -0.768 402 H SER 58 HN SER 58 -12.861 -6.453 0.860 403 HA SER 58 HA SER 58 -11.984 -8.477 0.362 404 HB2 SER 58 HB2 SER 58 -14.462 -9.016 -1.207 405 HB3 SER 58 HB1 SER 58 -13.355 -10.209 -0.555 406 HG SER 58 HG SER 58 -14.562 -8.366 1.186 407 H LEU 59 HN LEU 59 -13.758 -7.785 -2.631 408 HA LEU 59 HA LEU 59 -11.792 -8.815 -4.357 409 HB2 LEU 59 HB2 LEU 59 -13.947 -6.769 -4.833 410 HB3 LEU 59 HB1 LEU 59 -12.940 -7.419 -6.097 411 HG LEU 59 HG LEU 59 -13.883 -9.640 -5.768 412 HD11 LEU 59 HD11 LEU 59 -15.752 -10.019 -4.268 413 HD12 LEU 59 HD12 LEU 59 -15.615 -8.367 -3.662 414 HD13 LEU 59 HD13 LEU 59 -14.316 -9.524 -3.369 415 HD21 LEU 59 HD21 LEU 59 -16.168 -9.129 -6.508 416 HD22 LEU 59 HD22 LEU 59 -14.958 -8.131 -7.316 417 HD23 LEU 59 HD23 LEU 59 -15.928 -7.453 -6.009 418 H THR 60 HN THR 60 -12.563 -5.516 -3.385 419 HA THR 60 HA THR 60 -10.422 -4.435 -4.977 420 HB THR 60 HB THR 60 -11.035 -2.320 -3.565 421 HG1 THR 60 HG1 THR 60 -13.597 -3.059 -3.373 422 HG21 THR 60 HG21 THR 60 -11.420 -2.643 -5.969 423 HG22 THR 60 HG22 THR 60 -12.770 -1.800 -5.199 424 HG23 THR 60 HG23 THR 60 -12.916 -3.510 -5.604 425 H ALA 61 HN ALA 61 -10.796 -5.776 -1.896 426 HA ALA 61 HA ALA 61 -8.485 -4.528 -0.716 427 HB1 ALA 61 HB1 ALA 61 -8.678 -6.168 1.041 428 HB2 ALA 61 HB2 ALA 61 -9.778 -7.147 0.064 429 HB3 ALA 61 HB3 ALA 61 -10.291 -5.564 0.649 430 H LEU 62 HN LEU 62 -9.181 -7.441 -2.582 431 HA LEU 62 HA LEU 62 -6.474 -8.357 -2.492 432 HB2 LEU 62 HB2 LEU 62 -8.824 -9.562 -2.981 433 HB3 LEU 62 HB1 LEU 62 -8.316 -9.228 -4.616 434 HG LEU 62 HG LEU 62 -7.516 -11.372 -4.306 435 HD11 LEU 62 HD11 LEU 62 -5.660 -10.069 -5.077 436 HD12 LEU 62 HD12 LEU 62 -5.067 -11.249 -3.901 437 HD13 LEU 62 HD13 LEU 62 -5.272 -9.560 -3.433 438 HD21 LEU 62 HD21 LEU 62 -6.715 -10.616 -1.506 439 HD22 LEU 62 HD22 LEU 62 -6.522 -12.204 -2.245 440 HD23 LEU 62 HD23 LEU 62 -8.137 -11.554 -1.962 441 H GLU 63 HN GLU 63 -8.538 -6.562 -4.840 442 HA GLU 63 HA GLU 63 -6.575 -6.382 -6.817 443 HB2 GLU 63 HB2 GLU 63 -8.743 -5.947 -7.523 444 HB3 GLU 63 HB1 GLU 63 -9.125 -5.010 -6.090 445 HG2 GLU 63 HG2 GLU 63 -9.070 -3.488 -7.842 446 HG3 GLU 63 HG1 GLU 63 -7.576 -3.292 -6.931 447 H LEU 64 HN LEU 64 -7.392 -4.446 -3.965 448 HA LEU 64 HA LEU 64 -5.588 -2.361 -4.177 449 HB2 LEU 64 HB2 LEU 64 -7.143 -3.402 -2.123 450 HB3 LEU 64 HB1 LEU 64 -5.498 -3.702 -1.580 451 HG LEU 64 HG LEU 64 -6.649 -1.019 -2.301 452 HD11 LEU 64 HD11 LEU 64 -7.529 -1.779 -0.210 453 HD12 LEU 64 HD12 LEU 64 -6.269 -0.585 0.123 454 HD13 LEU 64 HD13 LEU 64 -5.931 -2.307 0.325 455 HD21 LEU 64 HD21 LEU 64 -3.936 -1.741 -1.215 456 HD22 LEU 64 HD22 LEU 64 -4.522 -0.117 -1.583 457 HD23 LEU 64 HD23 LEU 64 -4.262 -1.284 -2.886 458 H ARG 65 HN ARG 65 -5.210 -5.624 -3.164 459 HA ARG 65 HA ARG 65 -2.489 -5.542 -2.464 460 HB2 ARG 65 HB2 ARG 65 -3.630 -7.403 -1.637 461 HB3 ARG 65 HB1 ARG 65 -4.283 -7.811 -3.235 462 HG2 ARG 65 HG2 ARG 65 -1.974 -8.259 -4.008 463 HG3 ARG 65 HG1 ARG 65 -1.392 -7.956 -2.373 464 HD2 ARG 65 HD2 ARG 65 -3.441 -10.022 -3.040 465 HD3 ARG 65 HD1 ARG 65 -1.716 -10.333 -3.025 466 HE ARG 65 HE ARG 65 -1.682 -10.242 -0.735 467 HH11 ARG 65 HH11 ARG 65 -4.888 -9.412 -1.855 468 HH12 ARG 65 HH12 ARG 65 -5.501 -9.082 -0.271 469 HH21 ARG 65 HH21 ARG 65 -2.465 -9.783 1.337 470 HH22 ARG 65 HH22 ARG 65 -4.108 -9.267 1.542 471 H ASN 66 HN ASN 66 -4.190 -6.627 -5.320 472 HA ASN 66 HA ASN 66 -2.062 -7.672 -6.689 473 HB2 ASN 66 HB2 ASN 66 -4.757 -6.714 -7.372 474 HB3 ASN 66 HB1 ASN 66 -3.629 -6.706 -8.719 475 HD21 ASN 66 HD21 ASN 66 -5.444 -8.594 -6.518 476 HD22 ASN 66 HD22 ASN 66 -5.120 -10.125 -7.242 477 H THR 67 HN THR 67 -3.148 -4.307 -6.396 478 HA THR 67 HA THR 67 -1.066 -3.349 -8.134 479 HB THR 67 HB THR 67 -2.690 -1.785 -6.142 480 HG1 THR 67 HG1 THR 67 -4.083 -2.699 -7.657 481 HG21 THR 67 HG21 THR 67 -2.095 0.138 -7.597 482 HG22 THR 67 HG22 THR 67 -1.043 -0.929 -8.527 483 HG23 THR 67 HG23 THR 67 -0.682 -0.593 -6.832 484 H LEU 68 HN LEU 68 -1.631 -3.035 -4.602 485 HA LEU 68 HA LEU 68 0.727 -1.713 -4.027 486 HB2 LEU 68 HB2 LEU 68 0.336 -2.190 -1.740 487 HB3 LEU 68 HB1 LEU 68 -1.241 -2.085 -2.481 488 HG LEU 68 HG LEU 68 -0.917 -4.718 -2.622 489 HD11 LEU 68 HD11 LEU 68 0.570 -4.019 -0.105 490 HD12 LEU 68 HD12 LEU 68 1.336 -4.617 -1.576 491 HD13 LEU 68 HD13 LEU 68 0.184 -5.629 -0.706 492 HD21 LEU 68 HD21 LEU 68 -2.181 -4.870 -0.516 493 HD22 LEU 68 HD22 LEU 68 -2.788 -3.601 -1.581 494 HD23 LEU 68 HD23 LEU 68 -1.789 -3.183 -0.189 495 H THR 69 HN THR 69 0.167 -5.239 -3.897 496 HA THR 69 HA THR 69 2.665 -6.099 -3.242 497 HB THR 69 HB THR 69 0.383 -7.137 -4.859 498 HG1 THR 69 HG1 THR 69 1.724 -8.287 -2.638 499 HG21 THR 69 HG21 THR 69 3.024 -8.564 -4.647 500 HG22 THR 69 HG22 THR 69 2.276 -7.930 -6.118 501 HG23 THR 69 HG23 THR 69 1.521 -9.268 -5.242 502 H HIS 70 HN HIS 70 1.355 -5.348 -6.415 503 HA HIS 70 HA HIS 70 3.668 -6.076 -7.865 504 HB2 HIS 70 HB2 HIS 70 1.311 -5.906 -8.737 505 HB3 HIS 70 HB1 HIS 70 1.467 -4.174 -8.656 506 HD1 HIS 70 HD1 HIS 70 2.283 -7.098 -10.743 507 HD2 HIS 70 HD2 HIS 70 3.243 -3.057 -10.584 508 HE1 HIS 70 HE1 HIS 70 3.318 -6.563 -12.970 509 HE2 HIS 70 HE2 HIS 70 3.793 -4.093 -12.895 510 H ASN 71 HN ASN 71 2.622 -3.158 -6.292 511 HA ASN 71 HA ASN 71 4.611 -1.463 -7.428 512 HB2 ASN 71 HB2 ASN 71 3.216 -1.057 -4.786 513 HB3 ASN 71 HB1 ASN 71 3.929 0.169 -5.822 514 HD21 ASN 71 HD21 ASN 71 2.747 -1.208 -8.197 515 HD22 ASN 71 HD22 ASN 71 1.096 -0.717 -8.205 516 H THR 72 HN THR 72 4.535 -3.588 -4.637 517 HA THR 72 HA THR 72 6.970 -2.308 -3.605 518 HB THR 72 HB THR 72 6.260 -3.083 -1.389 519 HG1 THR 72 HG1 THR 72 3.765 -3.809 -2.532 520 HG21 THR 72 HG21 THR 72 5.384 -0.900 -2.579 521 HG22 THR 72 HG22 THR 72 4.697 -1.408 -1.037 522 HG23 THR 72 HG23 THR 72 3.838 -1.754 -2.539 523 H GLY 73 HN GLY 73 5.654 -5.177 -4.865 524 HA2 GLY 73 HA2 GLY 73 6.995 -6.946 -5.593 525 HA3 GLY 73 HA1 GLY 73 8.265 -6.367 -4.538 526 H LEU 74 HN LEU 74 5.379 -6.487 -2.868 527 HA LEU 74 HA LEU 74 6.391 -8.795 -1.415 528 HB2 LEU 74 HB2 LEU 74 5.571 -6.335 -0.560 529 HB3 LEU 74 HB1 LEU 74 4.124 -7.288 -0.311 530 HG LEU 74 HG LEU 74 5.396 -7.291 1.711 531 HD11 LEU 74 HD11 LEU 74 4.309 -9.405 1.140 532 HD12 LEU 74 HD12 LEU 74 5.780 -9.646 2.083 533 HD13 LEU 74 HD13 LEU 74 5.789 -9.937 0.343 534 HD21 LEU 74 HD21 LEU 74 7.622 -8.009 -0.153 535 HD22 LEU 74 HD22 LEU 74 7.740 -8.333 1.583 536 HD23 LEU 74 HD23 LEU 74 7.539 -6.677 1.004 537 H ASP 75 HN ASP 75 5.517 -10.623 -1.556 538 HA ASP 75 HA ASP 75 2.844 -10.837 -2.759 539 HB2 ASP 75 HB2 ASP 75 4.774 -11.759 -4.017 540 HB3 ASP 75 HB1 ASP 75 5.063 -12.852 -2.674 541 H LEU 76 HN LEU 76 2.493 -10.307 -0.272 542 HA LEU 76 HA LEU 76 2.371 -12.824 1.227 543 HB2 LEU 76 HB2 LEU 76 3.283 -10.676 2.248 544 HB3 LEU 76 HB1 LEU 76 1.639 -10.076 2.228 545 HG LEU 76 HG LEU 76 0.965 -11.942 3.717 546 HD11 LEU 76 HD11 LEU 76 3.924 -12.520 3.817 547 HD12 LEU 76 HD12 LEU 76 2.705 -13.541 3.060 548 HD13 LEU 76 HD13 LEU 76 2.680 -13.286 4.803 549 HD21 LEU 76 HD21 LEU 76 1.939 -11.048 5.718 550 HD22 LEU 76 HD22 LEU 76 1.662 -9.720 4.590 551 HD23 LEU 76 HD23 LEU 76 3.288 -10.366 4.811 552 HA PRO 77 HA PRO 77 -1.741 -13.674 -0.141 553 HB2 PRO 77 HB2 PRO 77 -2.037 -14.788 2.611 554 HB3 PRO 77 HB1 PRO 77 -2.370 -15.544 1.051 555 HG2 PRO 77 HG2 PRO 77 -0.192 -16.195 2.390 556 HG3 PRO 77 HG1 PRO 77 -0.131 -15.974 0.632 557 HD2 PRO 77 HD2 PRO 77 0.798 -14.153 2.808 558 HD3 PRO 77 HD1 PRO 77 1.540 -14.505 1.234 559 HA PRO 78 HA PRO 78 -4.854 -10.841 1.137 560 HB2 PRO 78 HB2 PRO 78 -7.003 -12.481 1.783 561 HB3 PRO 78 HB1 PRO 78 -6.569 -11.927 0.157 562 HG2 PRO 78 HG2 PRO 78 -5.934 -14.516 1.513 563 HG3 PRO 78 HG1 PRO 78 -6.429 -14.216 -0.163 564 HD2 PRO 78 HD2 PRO 78 -3.888 -14.707 0.421 565 HD3 PRO 78 HD1 PRO 78 -4.307 -13.471 -0.782 566 H THR 79 HN THR 79 -6.924 -10.840 3.007 567 HA THR 79 HA THR 79 -7.249 -10.044 5.001 568 HB THR 79 HB THR 79 -6.632 -11.293 6.960 569 HG1 THR 79 HG1 THR 79 -4.701 -12.435 5.261 570 HG21 THR 79 HG21 THR 79 -7.552 -13.493 6.314 571 HG22 THR 79 HG22 THR 79 -7.350 -13.048 4.619 572 HG23 THR 79 HG23 THR 79 -8.461 -12.138 5.642 573 H LEU 80 HN LEU 80 -4.777 -9.119 3.497 574 HA LEU 80 HA LEU 80 -3.163 -8.060 5.633 575 HB2 LEU 80 HB2 LEU 80 -3.230 -7.460 2.684 576 HB3 LEU 80 HB1 LEU 80 -2.150 -6.654 3.804 577 HG LEU 80 HG LEU 80 -2.169 -9.587 3.106 578 HD11 LEU 80 HD11 LEU 80 0.023 -9.135 2.195 579 HD12 LEU 80 HD12 LEU 80 -0.084 -7.449 2.693 580 HD13 LEU 80 HD13 LEU 80 -1.165 -8.070 1.446 581 HD21 LEU 80 HD21 LEU 80 -1.694 -9.286 5.486 582 HD22 LEU 80 HD22 LEU 80 -0.438 -8.113 5.089 583 HD23 LEU 80 HD23 LEU 80 -0.260 -9.799 4.603 584 H ILE 81 HN ILE 81 -5.811 -6.920 3.615 585 HA ILE 81 HA ILE 81 -5.776 -4.241 4.608 586 HB ILE 81 HB ILE 81 -8.164 -5.774 3.536 587 HG12 ILE 81 HG12 ILE 81 -6.534 -5.773 1.808 588 HG13 ILE 81 HG11 ILE 81 -7.643 -4.467 1.448 589 HG21 ILE 81 HG21 ILE 81 -9.182 -3.685 3.131 590 HG22 ILE 81 HG22 ILE 81 -7.696 -2.815 3.491 591 HG23 ILE 81 HG23 ILE 81 -8.586 -3.618 4.792 592 HD11 ILE 81 HD11 ILE 81 -5.017 -4.111 2.840 593 HD12 ILE 81 HD12 ILE 81 -6.108 -2.857 2.249 594 HD13 ILE 81 HD13 ILE 81 -5.273 -3.912 1.106 595 H PHE 82 HN PHE 82 -7.247 -7.223 5.569 596 HA PHE 82 HA PHE 82 -8.796 -6.246 7.699 597 HB2 PHE 82 HB2 PHE 82 -7.662 -8.992 7.131 598 HB3 PHE 82 HB1 PHE 82 -8.882 -8.643 8.345 599 HD1 PHE 82 HD1 PHE 82 -11.099 -8.850 7.794 600 HD2 PHE 82 HD2 PHE 82 -8.272 -8.204 4.671 601 HE1 PHE 82 HE1 PHE 82 -12.880 -9.117 6.125 602 HE2 PHE 82 HE2 PHE 82 -10.051 -8.473 3.006 603 HZ PHE 82 HZ PHE 82 -12.357 -8.928 3.723 604 H ASP 83 HN ASP 83 -5.459 -7.199 7.386 605 HA ASP 83 HA ASP 83 -4.964 -7.136 10.247 606 HB2 ASP 83 HB2 ASP 83 -3.811 -8.741 8.695 607 HB3 ASP 83 HB1 ASP 83 -2.980 -7.372 7.973 608 H HIS 84 HN HIS 84 -4.536 -5.130 7.438 609 HA HIS 84 HA HIS 84 -3.634 -2.906 9.142 610 HB2 HIS 84 HB2 HIS 84 -2.570 -3.741 6.445 611 HB3 HIS 84 HB1 HIS 84 -2.322 -2.130 7.085 612 HD1 HIS 84 HD1 HIS 84 -0.518 -1.858 8.902 613 HD2 HIS 84 HD2 HIS 84 -1.177 -5.810 7.789 614 HE1 HIS 84 HE1 HIS 84 1.367 -3.166 9.914 615 HE2 HIS 84 HE2 HIS 84 0.836 -5.571 9.396 616 HA PRO 85 HA PRO 85 -7.456 -2.111 6.903 617 HB2 PRO 85 HB2 PRO 85 -8.820 -0.887 8.829 618 HB3 PRO 85 HB1 PRO 85 -8.428 -2.608 8.944 619 HG2 PRO 85 HG2 PRO 85 -7.105 -0.269 10.262 620 HG3 PRO 85 HG1 PRO 85 -7.507 -1.858 10.942 621 HD2 PRO 85 HD2 PRO 85 -5.009 -1.120 9.983 622 HD3 PRO 85 HD1 PRO 85 -5.576 -2.791 10.168 623 H THR 86 HN THR 86 -5.097 0.192 7.426 624 HA THR 86 HA THR 86 -6.822 2.171 6.132 625 HB THR 86 HB THR 86 -5.689 3.998 7.267 626 HG1 THR 86 HG1 THR 86 -4.493 2.813 9.297 627 HG21 THR 86 HG21 THR 86 -6.806 1.947 9.176 628 HG22 THR 86 HG22 THR 86 -7.701 3.216 8.341 629 HG23 THR 86 HG23 THR 86 -6.521 3.638 9.579 630 HA PRO 87 HA PRO 87 -3.627 2.480 3.015 631 HB2 PRO 87 HB2 PRO 87 -3.774 5.422 3.311 632 HB3 PRO 87 HB1 PRO 87 -3.911 4.427 1.862 633 HG2 PRO 87 HG2 PRO 87 -6.071 5.543 2.971 634 HG3 PRO 87 HG1 PRO 87 -6.132 3.930 2.239 635 HD2 PRO 87 HD2 PRO 87 -6.086 4.701 5.122 636 HD3 PRO 87 HD1 PRO 87 -6.921 3.355 4.322 637 H HIS 88 HN HIS 88 -3.422 4.519 5.875 638 HA HIS 88 HA HIS 88 -0.610 4.846 5.924 639 HB2 HIS 88 HB2 HIS 88 -2.214 6.143 7.313 640 HB3 HIS 88 HB1 HIS 88 -2.559 4.691 8.236 641 HD1 HIS 88 HD1 HIS 88 0.575 6.693 7.357 642 HD2 HIS 88 HD2 HIS 88 -1.160 4.628 10.517 643 HE1 HIS 88 HE1 HIS 88 2.163 6.954 9.282 644 HE2 HIS 88 HE2 HIS 88 0.992 5.872 11.232 645 H ALA 89 HN ALA 89 -2.747 2.485 7.497 646 HA ALA 89 HA ALA 89 -0.825 0.916 8.732 647 HB1 ALA 89 HB1 ALA 89 -3.212 0.739 9.170 648 HB2 ALA 89 HB2 ALA 89 -2.508 -0.835 8.780 649 HB3 ALA 89 HB3 ALA 89 -3.452 0.035 7.567 650 H LEU 90 HN LEU 90 -2.391 0.192 5.564 651 HA LEU 90 HA LEU 90 -0.843 -1.993 4.878 652 HB2 LEU 90 HB2 LEU 90 -2.704 -0.359 3.604 653 HB3 LEU 90 HB1 LEU 90 -1.283 -0.262 2.611 654 HG LEU 90 HG LEU 90 -1.247 -2.653 2.294 655 HD11 LEU 90 HD11 LEU 90 -3.005 -4.082 3.165 656 HD12 LEU 90 HD12 LEU 90 -3.716 -2.714 4.019 657 HD13 LEU 90 HD13 LEU 90 -2.123 -3.313 4.482 658 HD21 LEU 90 HD21 LEU 90 -3.295 -2.893 1.007 659 HD22 LEU 90 HD22 LEU 90 -2.601 -1.286 0.785 660 HD23 LEU 90 HD23 LEU 90 -3.998 -1.510 1.844 661 H THR 91 HN THR 91 -0.230 1.418 4.373 662 HA THR 91 HA THR 91 2.121 1.201 2.944 663 HB THR 91 HB THR 91 1.051 3.302 4.811 664 HG1 THR 91 HG1 THR 91 0.059 3.434 2.895 665 HG21 THR 91 HG21 THR 91 2.923 4.772 3.839 666 HG22 THR 91 HG22 THR 91 3.747 3.247 3.506 667 HG23 THR 91 HG23 THR 91 3.320 3.675 5.159 668 H GLN 92 HN GLN 92 1.594 1.505 6.431 669 HA GLN 92 HA GLN 92 4.185 1.347 7.361 670 HB2 GLN 92 HB2 GLN 92 1.629 0.237 8.516 671 HB3 GLN 92 HB1 GLN 92 3.134 0.306 9.409 672 HG2 GLN 92 HG2 GLN 92 3.045 2.844 8.824 673 HG3 GLN 92 HG1 GLN 92 1.341 2.515 8.540 674 HE21 GLN 92 HE21 GLN 92 2.727 4.095 10.642 675 HE22 GLN 92 HE22 GLN 92 2.130 3.463 12.136 676 H HIS 93 HN HIS 93 1.987 -1.254 6.470 677 HA HIS 93 HA HIS 93 3.520 -3.449 7.221 678 HB2 HIS 93 HB2 HIS 93 1.261 -3.798 6.548 679 HB3 HIS 93 HB1 HIS 93 1.536 -3.057 4.978 680 HD1 HIS 93 HD1 HIS 93 2.460 -6.203 6.903 681 HD2 HIS 93 HD2 HIS 93 2.181 -4.806 2.989 682 HE1 HIS 93 HE1 HIS 93 2.852 -8.204 5.440 683 HE2 HIS 93 HE2 HIS 93 2.759 -7.328 3.082 684 H LEU 94 HN LEU 94 3.461 -1.832 4.017 685 HA LEU 94 HA LEU 94 5.559 -3.560 3.038 686 HB2 LEU 94 HB2 LEU 94 4.387 -1.038 1.846 687 HB3 LEU 94 HB1 LEU 94 5.358 -2.230 1.004 688 HG LEU 94 HG LEU 94 2.738 -2.952 2.283 689 HD11 LEU 94 HD11 LEU 94 2.585 -1.058 0.587 690 HD12 LEU 94 HD12 LEU 94 1.556 -2.468 0.364 691 HD13 LEU 94 HD13 LEU 94 3.011 -2.281 -0.620 692 HD21 LEU 94 HD21 LEU 94 4.304 -4.764 1.655 693 HD22 LEU 94 HD22 LEU 94 4.277 -4.179 -0.014 694 HD23 LEU 94 HD23 LEU 94 2.805 -4.808 0.730 695 H HIS 95 HN HIS 95 5.426 -0.533 4.669 696 HA HIS 95 HA HIS 95 8.014 0.426 3.790 697 HB2 HIS 95 HB2 HIS 95 6.217 1.975 4.550 698 HB3 HIS 95 HB1 HIS 95 6.269 1.241 6.142 699 HD1 HIS 95 HD1 HIS 95 8.102 1.979 7.735 700 HD2 HIS 95 HD2 HIS 95 8.382 3.731 3.959 701 HE1 HIS 95 HE1 HIS 95 9.759 3.846 7.974 702 HE2 HIS 95 HE2 HIS 95 9.758 5.002 5.741 703 H THR 96 HN THR 96 6.707 -1.677 6.145 704 HA THR 96 HA THR 96 9.138 -1.761 7.720 705 HB THR 96 HB THR 96 6.324 -2.648 8.004 706 HG1 THR 96 HG1 THR 96 8.244 -1.255 9.452 707 HG21 THR 96 HG21 THR 96 8.552 -4.111 9.398 708 HG22 THR 96 HG22 THR 96 7.473 -4.770 8.167 709 HG23 THR 96 HG23 THR 96 6.827 -4.278 9.732 710 H ARG 97 HN ARG 97 7.090 -3.835 5.683 711 HA ARG 97 HA ARG 97 8.729 -6.119 5.928 712 HB2 ARG 97 HB2 ARG 97 6.468 -5.372 4.122 713 HB3 ARG 97 HB1 ARG 97 7.334 -6.884 3.905 714 HG2 ARG 97 HG2 ARG 97 5.828 -5.965 6.317 715 HG3 ARG 97 HG1 ARG 97 5.413 -7.313 5.253 716 HD2 ARG 97 HD2 ARG 97 7.964 -7.926 6.044 717 HD3 ARG 97 HD1 ARG 97 7.303 -7.166 7.486 718 HE ARG 97 HE ARG 97 5.480 -8.830 7.365 719 HH11 ARG 97 HH11 ARG 97 8.533 -9.487 5.773 720 HH12 ARG 97 HH12 ARG 97 8.320 -11.205 5.797 721 HH21 ARG 97 HH21 ARG 97 5.219 -11.099 7.435 722 HH22 ARG 97 HH22 ARG 97 6.445 -12.126 6.761 723 H LEU 98 HN LEU 98 8.745 -3.431 3.766 724 HA LEU 98 HA LEU 98 10.183 -4.266 1.635 725 HB2 LEU 98 HB2 LEU 98 9.373 -1.962 2.247 726 HB3 LEU 98 HB1 LEU 98 10.915 -1.771 3.060 727 HG LEU 98 HG LEU 98 12.126 -1.983 1.031 728 HD11 LEU 98 HD11 LEU 98 9.535 -3.095 -0.003 729 HD12 LEU 98 HD12 LEU 98 11.135 -3.844 -0.009 730 HD13 LEU 98 HD13 LEU 98 10.785 -2.500 -1.099 731 HD21 LEU 98 HD21 LEU 98 11.022 0.146 1.300 732 HD22 LEU 98 HD22 LEU 98 9.582 -0.499 0.516 733 HD23 LEU 98 HD23 LEU 98 11.075 -0.309 -0.404 734 H THR 99 HN THR 99 11.399 -3.742 4.887 735 HA THR 99 HA THR 99 13.995 -4.791 4.003 736 HB THR 99 HB THR 99 14.288 -2.660 5.048 737 HG1 THR 99 HG1 THR 99 15.828 -4.257 5.638 738 HG21 THR 99 HG21 THR 99 13.554 -2.160 7.325 739 HG22 THR 99 HG22 THR 99 12.758 -3.731 7.411 740 HG23 THR 99 HG23 THR 99 12.186 -2.515 6.265 741 H GLN 100 HN GLN 100 11.473 -5.108 6.467 742 HA GLN 100 HA GLN 100 12.603 -7.351 7.760 743 HB2 GLN 100 HB2 GLN 100 9.756 -6.388 7.668 744 HB3 GLN 100 HB1 GLN 100 10.365 -7.612 8.770 745 HG2 GLN 100 HG2 GLN 100 11.421 -4.800 8.638 746 HG3 GLN 100 HG1 GLN 100 10.147 -5.329 9.741 747 HE21 GLN 100 HE21 GLN 100 13.523 -5.514 8.960 748 HE22 GLN 100 HE22 GLN 100 14.042 -6.219 10.449 749 H SER 101 HN SER 101 13.190 -8.830 6.249 750 HA SER 101 HA SER 101 11.243 -10.738 5.469 751 HB2 SER 101 HB2 SER 101 11.635 -10.520 2.997 752 HB3 SER 101 HB1 SER 101 10.745 -9.169 3.697 753 HG SER 101 HG SER 101 13.158 -8.379 3.901 754 H HIS 102 HN HIS 102 12.608 -12.120 3.544 755 HA HIS 102 HA HIS 102 15.059 -12.799 4.954 756 HB2 HIS 102 HB2 HIS 102 13.421 -14.209 2.893 757 HB3 HIS 102 HB1 HIS 102 15.057 -14.721 3.226 758 HD1 HIS 102 HD1 HIS 102 15.015 -16.684 4.721 759 HD2 HIS 102 HD2 HIS 102 12.042 -13.948 5.689 760 HE1 HIS 102 HE1 HIS 102 13.847 -17.639 6.733 761 HE2 HIS 102 HE2 HIS 102 11.973 -16.028 7.222 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 12.121 -5.368 -17.206 2 H2 GLY 1 HT2 GLY 1 10.813 -5.286 -18.273 3 H3 GLY 1 HT3 GLY 1 10.658 -6.109 -16.804 4 HA2 GLY 1 HA1 GLY 1 11.097 -3.195 -17.111 5 HA3 GLY 1 HA2 GLY 1 9.563 -3.956 -16.717 6 H ALA 2 HN ALA 2 9.399 -5.104 -14.695 7 HA ALA 2 HA ALA 2 11.438 -4.425 -12.712 8 HB1 ALA 2 HB1 ALA 2 9.749 -2.637 -12.631 9 HB2 ALA 2 HB2 ALA 2 9.784 -3.585 -11.145 10 HB3 ALA 2 HB3 ALA 2 8.501 -3.845 -12.327 11 H ALA 3 HN ALA 3 11.900 -6.690 -12.905 12 HA ALA 3 HA ALA 3 10.072 -8.735 -12.298 13 HB1 ALA 3 HB1 ALA 3 12.032 -10.119 -11.839 14 HB2 ALA 3 HB2 ALA 3 13.050 -8.679 -11.800 15 HB3 ALA 3 HB3 ALA 3 12.266 -9.165 -13.304 16 H SER 4 HN SER 4 12.471 -7.131 -10.210 17 HA SER 4 HA SER 4 10.718 -7.712 -7.925 18 HB2 SER 4 HB2 SER 4 13.019 -8.600 -7.708 19 HB3 SER 4 HB1 SER 4 13.653 -6.971 -7.915 20 HG SER 4 HG SER 4 12.936 -8.108 -5.673 21 H ALA 5 HN ALA 5 9.316 -6.000 -7.962 22 HA ALA 5 HA ALA 5 10.287 -3.317 -8.365 23 HB1 ALA 5 HB1 ALA 5 7.984 -2.632 -7.933 24 HB2 ALA 5 HB2 ALA 5 7.580 -4.273 -7.430 25 HB3 ALA 5 HB3 ALA 5 8.040 -3.951 -9.102 26 H ALA 6 HN ALA 6 10.651 -5.375 -5.881 27 HA ALA 6 HA ALA 6 10.144 -3.573 -3.679 28 HB1 ALA 6 HB1 ALA 6 11.626 -6.203 -3.831 29 HB2 ALA 6 HB2 ALA 6 9.953 -5.958 -3.314 30 HB3 ALA 6 HB3 ALA 6 11.280 -5.320 -2.342 31 H THR 7 HN THR 7 12.607 -4.225 -5.919 32 HA THR 7 HA THR 7 14.546 -2.720 -4.327 33 HB THR 7 HB THR 7 15.460 -4.800 -5.131 34 HG1 THR 7 HG1 THR 7 16.441 -2.480 -6.444 35 HG21 THR 7 HG21 THR 7 14.811 -3.831 -7.911 36 HG22 THR 7 HG22 THR 7 14.009 -5.156 -7.066 37 HG23 THR 7 HG23 THR 7 15.712 -5.292 -7.510 38 H ASP 8 HN ASP 8 12.124 -2.222 -6.446 39 HA ASP 8 HA ASP 8 13.389 0.105 -7.677 40 HB2 ASP 8 HB2 ASP 8 11.183 -1.637 -8.422 41 HB3 ASP 8 HB1 ASP 8 10.725 0.061 -8.410 42 H LEU 9 HN LEU 9 10.962 -1.048 -5.502 43 HA LEU 9 HA LEU 9 9.674 1.420 -5.031 44 HB2 LEU 9 HB2 LEU 9 8.545 -0.571 -4.383 45 HB3 LEU 9 HB1 LEU 9 9.896 -1.102 -3.406 46 HG LEU 9 HG LEU 9 9.547 0.966 -2.003 47 HD11 LEU 9 HD11 LEU 9 7.370 2.012 -2.069 48 HD12 LEU 9 HD12 LEU 9 6.901 0.997 -3.434 49 HD13 LEU 9 HD13 LEU 9 8.207 2.195 -3.621 50 HD21 LEU 9 HD21 LEU 9 7.778 -0.080 -0.692 51 HD22 LEU 9 HD22 LEU 9 8.977 -1.246 -1.242 52 HD23 LEU 9 HD23 LEU 9 7.414 -1.147 -2.044 53 H ALA 10 HN ALA 10 11.849 -0.522 -3.103 54 HA ALA 10 HA ALA 10 12.556 1.451 -1.219 55 HB1 ALA 10 HB1 ALA 10 14.505 -0.002 -0.738 56 HB2 ALA 10 HB2 ALA 10 14.093 -0.975 -2.154 57 HB3 ALA 10 HB3 ALA 10 12.974 -0.880 -0.789 58 H ALA 11 HN ALA 11 13.133 1.459 -4.480 59 HA ALA 11 HA ALA 11 15.705 2.759 -4.421 60 HB1 ALA 11 HB1 ALA 11 13.680 2.365 -6.611 61 HB2 ALA 11 HB2 ALA 11 15.175 1.456 -6.364 62 HB3 ALA 11 HB3 ALA 11 15.245 3.156 -6.830 63 H ARG 12 HN ARG 12 12.235 3.632 -4.823 64 HA ARG 12 HA ARG 12 12.620 6.408 -5.036 65 HB2 ARG 12 HB2 ARG 12 10.404 4.655 -4.054 66 HB3 ARG 12 HB1 ARG 12 10.260 6.390 -3.932 67 HG2 ARG 12 HG2 ARG 12 9.119 5.824 -5.858 68 HG3 ARG 12 HG1 ARG 12 10.689 6.384 -6.441 69 HD2 ARG 12 HD2 ARG 12 11.440 4.190 -6.815 70 HD3 ARG 12 HD1 ARG 12 10.103 3.522 -5.878 71 HE ARG 12 HE ARG 12 8.733 4.638 -7.822 72 HH11 ARG 12 HH11 ARG 12 11.719 2.833 -8.061 73 HH12 ARG 12 HH12 ARG 12 11.407 2.274 -9.676 74 HH21 ARG 12 HH21 ARG 12 8.314 3.920 -9.940 75 HH22 ARG 12 HH22 ARG 12 9.467 2.910 -10.751 76 H LEU 13 HN LEU 13 12.638 4.174 -2.418 77 HA LEU 13 HA LEU 13 12.063 6.142 -0.373 78 HB2 LEU 13 HB2 LEU 13 12.516 3.194 -0.441 79 HB3 LEU 13 HB1 LEU 13 12.540 4.038 1.088 80 HG LEU 13 HG LEU 13 10.249 4.559 0.962 81 HD11 LEU 13 HD11 LEU 13 9.865 5.422 -1.121 82 HD12 LEU 13 HD12 LEU 13 8.934 3.920 -1.124 83 HD13 LEU 13 HD13 LEU 13 10.509 3.990 -1.934 84 HD21 LEU 13 HD21 LEU 13 10.684 2.227 1.476 85 HD22 LEU 13 HD22 LEU 13 10.567 1.832 -0.238 86 HD23 LEU 13 HD23 LEU 13 9.152 2.431 0.628 87 H ASN 14 HN ASN 14 14.723 4.235 -1.510 88 HA ASN 14 HA ASN 14 16.526 4.566 0.539 89 HB2 ASN 14 HB2 ASN 14 16.522 3.726 -2.214 90 HB3 ASN 14 HB1 ASN 14 18.067 4.464 -1.751 91 HD21 ASN 14 HD21 ASN 14 17.233 1.670 -2.384 92 HD22 ASN 14 HD22 ASN 14 17.739 0.725 -1.033 93 H GLY 15 HN GLY 15 15.827 6.762 -2.028 94 HA2 GLY 15 HA2 GLY 15 17.947 8.495 -1.189 95 HA3 GLY 15 HA1 GLY 15 16.739 8.830 -2.404 96 H LEU 16 HN LEU 16 15.131 7.822 0.275 97 HA LEU 16 HA LEU 16 14.656 10.610 1.077 98 HB2 LEU 16 HB2 LEU 16 12.806 8.355 0.510 99 HB3 LEU 16 HB1 LEU 16 12.348 9.500 1.743 100 HG LEU 16 HG LEU 16 11.316 10.118 -0.327 101 HD11 LEU 16 HD11 LEU 16 12.012 12.378 -0.430 102 HD12 LEU 16 HD12 LEU 16 13.636 11.964 0.117 103 HD13 LEU 16 HD13 LEU 16 12.269 11.835 1.237 104 HD21 LEU 16 HD21 LEU 16 14.094 10.222 -1.495 105 HD22 LEU 16 HD22 LEU 16 12.610 10.724 -2.304 106 HD23 LEU 16 HD23 LEU 16 12.853 9.029 -1.881 107 H SER 17 HN SER 17 13.723 10.888 3.210 108 HA SER 17 HA SER 17 14.955 9.263 5.250 109 HB2 SER 17 HB2 SER 17 13.040 11.598 5.417 110 HB3 SER 17 HB1 SER 17 13.906 10.896 6.776 111 HG SER 17 HG SER 17 14.862 12.825 5.771 112 HA PRO 18 HA PRO 18 12.038 6.219 6.154 113 HB2 PRO 18 HB2 PRO 18 11.618 7.553 8.805 114 HB3 PRO 18 HB1 PRO 18 11.878 5.841 8.438 115 HG2 PRO 18 HG2 PRO 18 13.910 7.256 9.316 116 HG3 PRO 18 HG1 PRO 18 14.150 6.175 7.930 117 HD2 PRO 18 HD2 PRO 18 13.859 9.144 7.976 118 HD3 PRO 18 HD1 PRO 18 14.920 8.125 6.981 119 H GLN 19 HN GLN 19 10.752 9.290 7.472 120 HA GLN 19 HA GLN 19 8.027 8.477 7.149 121 HB2 GLN 19 HB2 GLN 19 8.761 10.238 8.751 122 HB3 GLN 19 HB1 GLN 19 9.051 11.298 7.378 123 HG2 GLN 19 HG2 GLN 19 6.933 11.895 8.152 124 HG3 GLN 19 HG1 GLN 19 6.657 10.886 6.732 125 HE21 GLN 19 HE21 GLN 19 4.907 11.486 8.990 126 HE22 GLN 19 HE22 GLN 19 4.462 9.956 9.662 127 H GLN 20 HN GLN 20 10.313 10.134 5.103 128 HA GLN 20 HA GLN 20 8.401 11.022 3.158 129 HB2 GLN 20 HB2 GLN 20 11.391 10.645 3.033 130 HB3 GLN 20 HB1 GLN 20 10.437 11.346 1.730 131 HG2 GLN 20 HG2 GLN 20 9.705 13.127 3.282 132 HG3 GLN 20 HG1 GLN 20 10.742 12.422 4.510 133 HE21 GLN 20 HE21 GLN 20 10.621 14.261 1.593 134 HE22 GLN 20 HE22 GLN 20 12.276 14.762 1.606 135 H GLN 21 HN GLN 21 10.638 8.348 3.494 136 HA GLN 21 HA GLN 21 10.119 6.882 1.196 137 HB2 GLN 21 HB2 GLN 21 10.587 5.934 4.030 138 HB3 GLN 21 HB1 GLN 21 10.727 4.915 2.612 139 HG2 GLN 21 HG2 GLN 21 12.592 6.183 1.817 140 HG3 GLN 21 HG1 GLN 21 12.394 7.370 3.112 141 HE21 GLN 21 HE21 GLN 21 14.682 5.694 2.450 142 HE22 GLN 21 HE22 GLN 21 15.023 4.760 3.867 143 H GLN 22 HN GLN 22 8.483 6.957 4.289 144 HA GLN 22 HA GLN 22 6.469 5.103 3.780 145 HB2 GLN 22 HB2 GLN 22 7.020 6.002 5.991 146 HB3 GLN 22 HB1 GLN 22 6.389 7.553 5.497 147 HG2 GLN 22 HG2 GLN 22 4.371 5.674 5.013 148 HG3 GLN 22 HG1 GLN 22 5.055 5.321 6.595 149 HE21 GLN 22 HE21 GLN 22 4.985 8.537 5.239 150 HE22 GLN 22 HE22 GLN 22 3.814 9.178 6.331 151 H GLN 23 HN GLN 23 6.568 8.599 3.244 152 HA GLN 23 HA GLN 23 4.008 9.068 2.370 153 HB2 GLN 23 HB2 GLN 23 6.579 10.262 1.501 154 HB3 GLN 23 HB1 GLN 23 5.013 10.937 1.076 155 HG2 GLN 23 HG2 GLN 23 4.485 11.299 3.384 156 HG3 GLN 23 HG1 GLN 23 5.955 10.497 3.890 157 HE21 GLN 23 HE21 GLN 23 6.657 12.298 5.021 158 HE22 GLN 23 HE22 GLN 23 7.254 13.715 4.231 159 H THR 24 HN THR 24 6.744 7.894 0.455 160 HA THR 24 HA THR 24 5.545 7.993 -2.072 161 HB THR 24 HB THR 24 7.670 6.304 -0.823 162 HG1 THR 24 HG1 THR 24 7.570 8.624 -2.092 163 HG21 THR 24 HG21 THR 24 6.780 6.051 -3.704 164 HG22 THR 24 HG22 THR 24 6.450 4.857 -2.450 165 HG23 THR 24 HG23 THR 24 8.119 5.193 -2.936 166 H LEU 25 HN LEU 25 5.420 5.477 0.426 167 HA LEU 25 HA LEU 25 3.638 3.784 -1.103 168 HB2 LEU 25 HB2 LEU 25 4.193 3.863 1.846 169 HB3 LEU 25 HB1 LEU 25 3.390 2.566 0.993 170 HG LEU 25 HG LEU 25 6.187 3.308 0.250 171 HD11 LEU 25 HD11 LEU 25 5.405 1.508 2.538 172 HD12 LEU 25 HD12 LEU 25 6.104 3.118 2.705 173 HD13 LEU 25 HD13 LEU 25 7.041 1.823 1.954 174 HD21 LEU 25 HD21 LEU 25 4.948 1.718 -1.130 175 HD22 LEU 25 HD22 LEU 25 4.627 0.724 0.291 176 HD23 LEU 25 HD23 LEU 25 6.277 0.924 -0.288 177 H ALA 26 HN ALA 26 3.450 6.093 1.513 178 HA ALA 26 HA ALA 26 0.672 5.959 1.962 179 HB1 ALA 26 HB1 ALA 26 1.035 7.721 3.457 180 HB2 ALA 26 HB2 ALA 26 2.349 8.389 2.486 181 HB3 ALA 26 HB3 ALA 26 2.606 6.902 3.404 182 H THR 27 HN THR 27 2.071 6.736 -0.751 183 HA THR 27 HA THR 27 -0.010 8.624 -1.566 184 HB THR 27 HB THR 27 2.895 8.437 -2.301 185 HG1 THR 27 HG1 THR 27 2.506 10.011 -0.848 186 HG21 THR 27 HG21 THR 27 2.542 9.833 -4.254 187 HG22 THR 27 HG22 THR 27 0.795 9.753 -4.018 188 HG23 THR 27 HG23 THR 27 1.701 8.289 -4.424 189 H LEU 28 HN LEU 28 2.193 6.074 -2.553 190 HA LEU 28 HA LEU 28 0.914 5.331 -4.923 191 HB2 LEU 28 HB2 LEU 28 3.095 4.649 -4.857 192 HB3 LEU 28 HB1 LEU 28 2.994 4.205 -3.171 193 HG LEU 28 HG LEU 28 1.296 2.420 -4.188 194 HD11 LEU 28 HD11 LEU 28 1.734 3.190 -6.484 195 HD12 LEU 28 HD12 LEU 28 2.097 1.482 -6.229 196 HD13 LEU 28 HD13 LEU 28 3.410 2.667 -6.302 197 HD21 LEU 28 HD21 LEU 28 4.253 2.231 -3.789 198 HD22 LEU 28 HD22 LEU 28 3.237 0.826 -4.117 199 HD23 LEU 28 HD23 LEU 28 2.950 1.804 -2.670 200 H VAL 29 HN VAL 29 0.818 4.080 -1.670 201 HA VAL 29 HA VAL 29 -0.814 1.846 -2.197 202 HB VAL 29 HB VAL 29 -0.257 3.409 0.311 203 HG11 VAL 29 HG11 VAL 29 -1.350 1.567 1.557 204 HG12 VAL 29 HG12 VAL 29 -1.943 0.926 0.026 205 HG13 VAL 29 HG13 VAL 29 -2.478 2.507 0.581 206 HG21 VAL 29 HG21 VAL 29 0.531 0.620 -0.504 207 HG22 VAL 29 HG22 VAL 29 1.097 1.518 0.905 208 HG23 VAL 29 HG23 VAL 29 1.540 2.050 -0.720 209 H ALA 30 HN ALA 30 -1.399 5.148 -1.413 210 HA ALA 30 HA ALA 30 -4.236 4.892 -1.209 211 HB1 ALA 30 HB1 ALA 30 -4.153 7.359 -1.222 212 HB2 ALA 30 HB2 ALA 30 -2.412 7.250 -1.472 213 HB3 ALA 30 HB3 ALA 30 -3.133 6.620 0.008 214 H ALA 31 HN ALA 31 -1.892 5.714 -3.623 215 HA ALA 31 HA ALA 31 -3.614 6.526 -5.686 216 HB1 ALA 31 HB1 ALA 31 -1.745 6.234 -7.115 217 HB2 ALA 31 HB2 ALA 31 -1.043 5.005 -6.061 218 HB3 ALA 31 HB3 ALA 31 -1.066 6.689 -5.544 219 H ALA 32 HN ALA 32 -2.321 3.449 -4.691 220 HA ALA 32 HA ALA 32 -3.592 1.728 -6.460 221 HB1 ALA 32 HB1 ALA 32 -1.929 0.818 -5.127 222 HB2 ALA 32 HB2 ALA 32 -3.402 0.150 -4.415 223 HB3 ALA 32 HB3 ALA 32 -2.590 1.528 -3.653 224 H THR 33 HN THR 33 -4.717 2.969 -3.275 225 HA THR 33 HA THR 33 -7.226 1.574 -3.546 226 HB THR 33 HB THR 33 -6.651 3.846 -1.639 227 HG1 THR 33 HG1 THR 33 -5.020 2.151 -1.526 228 HG21 THR 33 HG21 THR 33 -8.948 3.243 -1.630 229 HG22 THR 33 HG22 THR 33 -8.234 2.457 -0.219 230 HG23 THR 33 HG23 THR 33 -8.570 1.522 -1.681 231 H ALA 34 HN ALA 34 -5.954 4.630 -4.510 232 HA ALA 34 HA ALA 34 -8.414 5.935 -5.004 233 HB1 ALA 34 HB1 ALA 34 -6.302 7.151 -4.904 234 HB2 ALA 34 HB2 ALA 34 -7.096 7.408 -6.459 235 HB3 ALA 34 HB3 ALA 34 -5.728 6.299 -6.338 236 H THR 35 HN THR 35 -6.503 3.570 -6.634 237 HA THR 35 HA THR 35 -7.856 3.631 -9.126 238 HB THR 35 HB THR 35 -5.848 1.928 -7.762 239 HG1 THR 35 HG1 THR 35 -4.688 2.932 -9.182 240 HG21 THR 35 HG21 THR 35 -6.002 0.153 -9.381 241 HG22 THR 35 HG22 THR 35 -7.361 0.955 -10.171 242 HG23 THR 35 HG23 THR 35 -7.541 0.334 -8.525 243 H VAL 36 HN VAL 36 -7.967 1.512 -6.264 244 HA VAL 36 HA VAL 36 -9.740 -0.373 -7.265 245 HB VAL 36 HB VAL 36 -10.251 -0.923 -4.902 246 HG11 VAL 36 HG11 VAL 36 -8.456 -2.108 -5.695 247 HG12 VAL 36 HG12 VAL 36 -7.841 -1.365 -4.219 248 HG13 VAL 36 HG13 VAL 36 -7.432 -0.672 -5.790 249 HG21 VAL 36 HG21 VAL 36 -8.878 1.619 -4.423 250 HG22 VAL 36 HG22 VAL 36 -8.652 0.301 -3.274 251 HG23 VAL 36 HG23 VAL 36 -10.272 0.902 -3.615 252 H LEU 37 HN LEU 37 -10.400 2.771 -5.871 253 HA LEU 37 HA LEU 37 -13.271 2.168 -5.815 254 HB2 LEU 37 HB2 LEU 37 -11.966 4.665 -4.800 255 HB3 LEU 37 HB1 LEU 37 -13.508 3.977 -4.336 256 HG LEU 37 HG LEU 37 -10.874 2.658 -3.758 257 HD11 LEU 37 HD11 LEU 37 -12.504 4.429 -1.963 258 HD12 LEU 37 HD12 LEU 37 -10.963 4.847 -2.713 259 HD13 LEU 37 HD13 LEU 37 -11.041 3.548 -1.526 260 HD21 LEU 37 HD21 LEU 37 -12.197 1.411 -2.112 261 HD22 LEU 37 HD22 LEU 37 -12.788 1.175 -3.757 262 HD23 LEU 37 HD23 LEU 37 -13.647 2.254 -2.660 263 H GLY 38 HN GLY 38 -11.261 3.207 -8.096 264 HA2 GLY 38 HA2 GLY 38 -11.510 4.432 -10.018 265 HA3 GLY 38 HA1 GLY 38 -13.229 4.449 -9.670 266 H HIS 39 HN HIS 39 -10.540 5.877 -7.844 267 HA HIS 39 HA HIS 39 -11.838 8.503 -8.179 268 HB2 HIS 39 HB2 HIS 39 -10.383 7.258 -5.891 269 HB3 HIS 39 HB1 HIS 39 -10.271 9.002 -6.097 270 HD1 HIS 39 HD1 HIS 39 -12.206 10.373 -5.284 271 HD2 HIS 39 HD2 HIS 39 -13.104 6.317 -5.483 272 HE1 HIS 39 HE1 HIS 39 -14.454 10.124 -4.189 273 HE2 HIS 39 HE2 HIS 39 -14.936 7.654 -4.234 274 H HIS 40 HN HIS 40 -9.053 6.669 -8.813 275 HA HIS 40 HA HIS 40 -7.198 7.053 -10.034 276 HB2 HIS 40 HB2 HIS 40 -8.736 8.500 -11.420 277 HB3 HIS 40 HB1 HIS 40 -8.147 9.880 -10.503 278 HD1 HIS 40 HD1 HIS 40 -7.754 9.526 -13.601 279 HD2 HIS 40 HD2 HIS 40 -4.913 8.624 -10.702 280 HE1 HIS 40 HE1 HIS 40 -5.530 9.664 -14.762 281 HE2 HIS 40 HE2 HIS 40 -3.825 9.291 -12.948 282 H THR 41 HN THR 41 -7.862 10.059 -8.163 283 HA THR 41 HA THR 41 -5.005 10.213 -7.671 284 HB THR 41 HB THR 41 -6.092 12.280 -8.366 285 HG1 THR 41 HG1 THR 41 -5.108 13.577 -6.817 286 HG21 THR 41 HG21 THR 41 -8.283 11.899 -7.289 287 HG22 THR 41 HG22 THR 41 -7.595 13.474 -6.887 288 HG23 THR 41 HG23 THR 41 -7.513 12.153 -5.722 289 HA PRO 42 HA PRO 42 -5.160 8.603 -3.561 290 HB2 PRO 42 HB2 PRO 42 -2.752 10.140 -3.025 291 HB3 PRO 42 HB1 PRO 42 -2.939 8.396 -3.193 292 HG2 PRO 42 HG2 PRO 42 -1.636 9.952 -5.012 293 HG3 PRO 42 HG1 PRO 42 -2.441 8.423 -5.401 294 HD2 PRO 42 HD2 PRO 42 -3.381 11.217 -5.914 295 HD3 PRO 42 HD1 PRO 42 -3.568 9.735 -6.872 296 H GLU 43 HN GLU 43 -5.205 11.890 -4.404 297 HA GLU 43 HA GLU 43 -5.008 13.128 -1.893 298 HB2 GLU 43 HB2 GLU 43 -6.328 13.983 -4.454 299 HB3 GLU 43 HB1 GLU 43 -6.195 15.034 -3.046 300 HG2 GLU 43 HG2 GLU 43 -3.793 14.909 -3.151 301 HG3 GLU 43 HG1 GLU 43 -3.900 13.743 -4.465 302 H SER 44 HN SER 44 -7.655 11.514 -3.453 303 HA SER 44 HA SER 44 -9.591 12.493 -1.520 304 HB2 SER 44 HB2 SER 44 -10.202 12.163 -3.914 305 HB3 SER 44 HB1 SER 44 -9.931 10.440 -3.695 306 HG SER 44 HG SER 44 -11.633 10.350 -2.276 307 H ILE 45 HN ILE 45 -7.254 10.201 -1.639 308 HA ILE 45 HA ILE 45 -8.685 8.171 -0.087 309 HB ILE 45 HB ILE 45 -5.876 8.067 -1.164 310 HG12 ILE 45 HG12 ILE 45 -7.446 8.312 -3.004 311 HG13 ILE 45 HG11 ILE 45 -6.808 6.676 -2.964 312 HG21 ILE 45 HG21 ILE 45 -6.020 5.680 -0.815 313 HG22 ILE 45 HG22 ILE 45 -7.681 5.836 -0.238 314 HG23 ILE 45 HG23 ILE 45 -6.352 6.519 0.703 315 HD11 ILE 45 HD11 ILE 45 -9.192 6.748 -3.470 316 HD12 ILE 45 HD12 ILE 45 -9.492 7.501 -1.903 317 HD13 ILE 45 HD13 ILE 45 -8.850 5.860 -1.985 318 H SER 46 HN SER 46 -8.818 9.256 1.916 319 HA SER 46 HA SER 46 -6.559 10.313 3.265 320 HB2 SER 46 HB2 SER 46 -9.076 10.696 3.762 321 HB3 SER 46 HB1 SER 46 -8.962 9.186 4.655 322 HG SER 46 HG SER 46 -8.602 11.236 5.839 323 HA PRO 47 HA PRO 47 -4.750 6.483 4.443 324 HB2 PRO 47 HB2 PRO 47 -2.830 7.368 6.032 325 HB3 PRO 47 HB1 PRO 47 -2.896 7.930 4.361 326 HG2 PRO 47 HG2 PRO 47 -3.709 9.329 6.863 327 HG3 PRO 47 HG1 PRO 47 -2.947 9.987 5.410 328 HD2 PRO 47 HD2 PRO 47 -5.705 10.012 6.042 329 HD3 PRO 47 HD1 PRO 47 -4.973 10.435 4.471 330 H ALA 48 HN ALA 48 -6.681 8.212 6.446 331 HA ALA 48 HA ALA 48 -6.248 6.415 8.699 332 HB1 ALA 48 HB1 ALA 48 -6.927 9.322 8.912 333 HB2 ALA 48 HB2 ALA 48 -5.282 8.685 8.958 334 HB3 ALA 48 HB3 ALA 48 -6.445 8.228 10.213 335 H THR 49 HN THR 49 -8.304 7.201 6.358 336 HA THR 49 HA THR 49 -10.804 7.377 7.698 337 HB THR 49 HB THR 49 -9.945 6.792 4.881 338 HG1 THR 49 HG1 THR 49 -11.265 8.942 6.192 339 HG21 THR 49 HG21 THR 49 -12.287 6.788 4.201 340 HG22 THR 49 HG22 THR 49 -12.777 6.853 5.896 341 HG23 THR 49 HG23 THR 49 -11.908 5.444 5.281 342 H ALA 50 HN ALA 50 -8.952 4.847 6.187 343 HA ALA 50 HA ALA 50 -8.781 2.604 6.760 344 HB1 ALA 50 HB1 ALA 50 -11.647 2.751 7.673 345 HB2 ALA 50 HB2 ALA 50 -10.227 2.745 8.726 346 HB3 ALA 50 HB3 ALA 50 -10.599 1.332 7.735 347 H PHE 51 HN PHE 51 -8.863 1.124 5.344 348 HA PHE 51 HA PHE 51 -9.836 1.454 2.787 349 HB2 PHE 51 HB2 PHE 51 -9.184 -1.030 4.344 350 HB3 PHE 51 HB1 PHE 51 -9.543 -1.046 2.619 351 HD1 PHE 51 HD1 PHE 51 -8.223 1.220 1.565 352 HD2 PHE 51 HD2 PHE 51 -6.970 -1.399 4.653 353 HE1 PHE 51 HE1 PHE 51 -5.890 1.778 1.076 354 HE2 PHE 51 HE2 PHE 51 -4.624 -0.854 4.183 355 HZ PHE 51 HZ PHE 51 -4.078 0.742 2.380 356 H LYS 52 HN LYS 52 -11.286 -0.363 5.455 357 HA LYS 52 HA LYS 52 -13.539 -1.359 4.224 358 HB2 LYS 52 HB2 LYS 52 -13.274 -0.154 6.985 359 HB3 LYS 52 HB1 LYS 52 -14.626 -1.148 6.461 360 HG2 LYS 52 HG2 LYS 52 -12.891 -2.953 5.994 361 HG3 LYS 52 HG1 LYS 52 -11.764 -1.934 6.888 362 HD2 LYS 52 HD2 LYS 52 -14.392 -2.891 8.019 363 HD3 LYS 52 HD1 LYS 52 -12.873 -3.754 8.217 364 HE2 LYS 52 HE2 LYS 52 -13.188 -2.508 10.181 365 HE3 LYS 52 HE1 LYS 52 -11.931 -1.710 9.253 366 HZ1 LYS 52 HZ1 LYS 52 -13.556 -0.172 10.263 367 HZ2 LYS 52 HZ2 LYS 52 -14.775 -0.850 9.308 368 HZ3 LYS 52 HZ3 LYS 52 -13.492 -0.029 8.583 369 H ASP 53 HN ASP 53 -12.916 1.779 5.623 370 HA ASP 53 HA ASP 53 -15.570 2.770 5.237 371 HB2 ASP 53 HB2 ASP 53 -12.989 4.051 6.159 372 HB3 ASP 53 HB1 ASP 53 -14.517 4.929 6.043 373 H LEU 54 HN LEU 54 -12.919 2.366 3.306 374 HA LEU 54 HA LEU 54 -13.317 4.707 1.628 375 HB2 LEU 54 HB2 LEU 54 -11.277 2.533 1.803 376 HB3 LEU 54 HB1 LEU 54 -11.391 3.479 0.339 377 HG LEU 54 HG LEU 54 -11.013 4.720 3.062 378 HD11 LEU 54 HD11 LEU 54 -8.935 3.828 1.082 379 HD12 LEU 54 HD12 LEU 54 -9.142 3.270 2.744 380 HD13 LEU 54 HD13 LEU 54 -8.629 4.928 2.424 381 HD21 LEU 54 HD21 LEU 54 -10.552 5.701 0.259 382 HD22 LEU 54 HD22 LEU 54 -10.163 6.594 1.730 383 HD23 LEU 54 HD23 LEU 54 -11.842 6.207 1.348 384 H GLY 55 HN GLY 55 -14.095 1.338 1.749 385 HA2 GLY 55 HA2 GLY 55 -15.990 0.774 0.234 386 HA3 GLY 55 HA1 GLY 55 -15.029 1.492 -1.052 387 H ILE 56 HN ILE 56 -12.859 0.082 0.885 388 HA ILE 56 HA ILE 56 -12.289 -2.076 -0.831 389 HB ILE 56 HB ILE 56 -11.374 -1.435 1.963 390 HG12 ILE 56 HG12 ILE 56 -10.227 0.057 0.699 391 HG13 ILE 56 HG11 ILE 56 -9.144 -1.308 0.583 392 HG21 ILE 56 HG21 ILE 56 -11.130 -3.681 2.010 393 HG22 ILE 56 HG22 ILE 56 -9.564 -3.158 1.372 394 HG23 ILE 56 HG23 ILE 56 -10.796 -3.791 0.282 395 HD11 ILE 56 HD11 ILE 56 -10.184 -1.897 -1.580 396 HD12 ILE 56 HD12 ILE 56 -9.355 -0.343 -1.563 397 HD13 ILE 56 HD13 ILE 56 -11.114 -0.395 -1.479 398 H ASP 57 HN ASP 57 -13.912 -3.586 -1.071 399 HA ASP 57 HA ASP 57 -14.467 -5.156 1.355 400 HB2 ASP 57 HB2 ASP 57 -16.447 -3.812 0.535 401 HB3 ASP 57 HB1 ASP 57 -16.422 -4.808 -0.918 402 H SER 58 HN SER 58 -12.782 -6.548 0.867 403 HA SER 58 HA SER 58 -11.962 -8.535 0.194 404 HB2 SER 58 HB2 SER 58 -14.327 -9.272 0.372 405 HB3 SER 58 HB1 SER 58 -14.485 -8.924 -1.341 406 HG SER 58 HG SER 58 -14.010 -11.132 -0.952 407 H LEU 59 HN LEU 59 -13.801 -7.606 -2.697 408 HA LEU 59 HA LEU 59 -11.923 -8.582 -4.534 409 HB2 LEU 59 HB2 LEU 59 -14.004 -6.421 -4.808 410 HB3 LEU 59 HB1 LEU 59 -13.044 -6.998 -6.146 411 HG LEU 59 HG LEU 59 -14.038 -9.220 -5.949 412 HD11 LEU 59 HD11 LEU 59 -15.942 -9.608 -4.465 413 HD12 LEU 59 HD12 LEU 59 -15.684 -8.026 -3.729 414 HD13 LEU 59 HD13 LEU 59 -14.461 -9.286 -3.563 415 HD21 LEU 59 HD21 LEU 59 -15.077 -7.633 -7.412 416 HD22 LEU 59 HD22 LEU 59 -15.980 -6.931 -6.071 417 HD23 LEU 59 HD23 LEU 59 -16.337 -8.574 -6.609 418 H THR 60 HN THR 60 -12.531 -5.290 -3.407 419 HA THR 60 HA THR 60 -10.326 -4.277 -4.952 420 HB THR 60 HB THR 60 -10.896 -2.156 -3.530 421 HG1 THR 60 HG1 THR 60 -13.456 -2.705 -3.340 422 HG21 THR 60 HG21 THR 60 -11.258 -2.470 -5.949 423 HG22 THR 60 HG22 THR 60 -12.570 -1.559 -5.188 424 HG23 THR 60 HG23 THR 60 -12.800 -3.260 -5.599 425 H ALA 61 HN ALA 61 -10.774 -5.688 -1.930 426 HA ALA 61 HA ALA 61 -8.455 -4.540 -0.678 427 HB1 ALA 61 HB1 ALA 61 -8.727 -6.213 1.021 428 HB2 ALA 61 HB2 ALA 61 -9.812 -7.153 -0.007 429 HB3 ALA 61 HB3 ALA 61 -10.324 -5.582 0.609 430 H LEU 62 HN LEU 62 -9.221 -7.412 -2.580 431 HA LEU 62 HA LEU 62 -6.562 -8.427 -2.528 432 HB2 LEU 62 HB2 LEU 62 -8.927 -9.512 -3.116 433 HB3 LEU 62 HB1 LEU 62 -8.427 -9.059 -4.723 434 HG LEU 62 HG LEU 62 -7.603 -11.171 -4.724 435 HD11 LEU 62 HD11 LEU 62 -5.382 -9.826 -3.192 436 HD12 LEU 62 HD12 LEU 62 -5.642 -9.721 -4.934 437 HD13 LEU 62 HD13 LEU 62 -5.247 -11.274 -4.193 438 HD21 LEU 62 HD21 LEU 62 -6.878 -12.378 -2.710 439 HD22 LEU 62 HD22 LEU 62 -8.523 -11.757 -2.570 440 HD23 LEU 62 HD23 LEU 62 -7.197 -10.932 -1.753 441 H GLU 63 HN GLU 63 -8.500 -6.480 -4.868 442 HA GLU 63 HA GLU 63 -6.515 -6.300 -6.818 443 HB2 GLU 63 HB2 GLU 63 -8.607 -5.682 -7.557 444 HB3 GLU 63 HB1 GLU 63 -9.027 -4.921 -6.036 445 HG2 GLU 63 HG2 GLU 63 -8.927 -3.157 -7.468 446 HG3 GLU 63 HG1 GLU 63 -7.356 -3.161 -6.675 447 H LEU 64 HN LEU 64 -7.207 -4.441 -3.882 448 HA LEU 64 HA LEU 64 -5.229 -2.491 -4.078 449 HB2 LEU 64 HB2 LEU 64 -6.937 -3.503 -2.060 450 HB3 LEU 64 HB1 LEU 64 -5.293 -3.625 -1.439 451 HG LEU 64 HG LEU 64 -6.636 -1.117 -2.420 452 HD11 LEU 64 HD11 LEU 64 -7.465 -1.862 -0.259 453 HD12 LEU 64 HD12 LEU 64 -6.439 -0.436 -0.065 454 HD13 LEU 64 HD13 LEU 64 -5.810 -2.038 0.333 455 HD21 LEU 64 HD21 LEU 64 -4.220 -1.239 -2.947 456 HD22 LEU 64 HD22 LEU 64 -3.895 -1.517 -1.234 457 HD23 LEU 64 HD23 LEU 64 -4.601 0.014 -1.759 458 H ARG 65 HN ARG 65 -5.180 -5.741 -2.954 459 HA ARG 65 HA ARG 65 -2.502 -5.849 -2.076 460 HB2 ARG 65 HB2 ARG 65 -4.109 -7.456 -1.250 461 HB3 ARG 65 HB1 ARG 65 -4.458 -8.030 -2.880 462 HG2 ARG 65 HG2 ARG 65 -1.680 -8.284 -1.782 463 HG3 ARG 65 HG1 ARG 65 -2.931 -9.411 -1.259 464 HD2 ARG 65 HD2 ARG 65 -3.338 -10.071 -3.560 465 HD3 ARG 65 HD1 ARG 65 -2.172 -8.880 -4.133 466 HE ARG 65 HE ARG 65 -0.977 -10.687 -2.289 467 HH11 ARG 65 HH11 ARG 65 -2.068 -10.451 -5.620 468 HH12 ARG 65 HH12 ARG 65 -0.944 -11.638 -6.200 469 HH21 ARG 65 HH21 ARG 65 0.495 -12.253 -3.062 470 HH22 ARG 65 HH22 ARG 65 0.513 -12.658 -4.750 471 H ASN 66 HN ASN 66 -4.100 -6.891 -5.003 472 HA ASN 66 HA ASN 66 -1.945 -7.969 -6.369 473 HB2 ASN 66 HB2 ASN 66 -4.583 -6.825 -7.158 474 HB3 ASN 66 HB1 ASN 66 -3.424 -7.207 -8.422 475 HD21 ASN 66 HD21 ASN 66 -6.033 -8.431 -7.694 476 HD22 ASN 66 HD22 ASN 66 -5.688 -10.111 -7.484 477 H THR 67 HN THR 67 -3.034 -4.589 -6.172 478 HA THR 67 HA THR 67 -1.050 -3.676 -8.010 479 HB THR 67 HB THR 67 -2.452 -2.102 -5.861 480 HG1 THR 67 HG1 THR 67 -3.999 -3.021 -7.235 481 HG21 THR 67 HG21 THR 67 -1.048 -1.251 -8.393 482 HG22 THR 67 HG22 THR 67 -0.530 -0.919 -6.738 483 HG23 THR 67 HG23 THR 67 -2.003 -0.179 -7.370 484 H LEU 68 HN LEU 68 -1.341 -3.449 -4.481 485 HA LEU 68 HA LEU 68 1.074 -2.157 -4.039 486 HB2 LEU 68 HB2 LEU 68 -0.487 -4.005 -2.253 487 HB3 LEU 68 HB1 LEU 68 0.877 -3.060 -1.708 488 HG LEU 68 HG LEU 68 -1.869 -2.196 -2.412 489 HD11 LEU 68 HD11 LEU 68 -1.239 -2.502 -0.107 490 HD12 LEU 68 HD12 LEU 68 -1.496 -0.792 -0.442 491 HD13 LEU 68 HD13 LEU 68 0.141 -1.424 -0.314 492 HD21 LEU 68 HD21 LEU 68 -1.166 0.104 -2.713 493 HD22 LEU 68 HD22 LEU 68 -0.440 -0.909 -3.957 494 HD23 LEU 68 HD23 LEU 68 0.528 -0.366 -2.585 495 H THR 69 HN THR 69 0.433 -5.674 -3.721 496 HA THR 69 HA THR 69 3.024 -6.331 -2.979 497 HB THR 69 HB THR 69 0.762 -7.736 -3.144 498 HG1 THR 69 HG1 THR 69 3.312 -8.982 -3.466 499 HG21 THR 69 HG21 THR 69 2.271 -8.651 -5.597 500 HG22 THR 69 HG22 THR 69 0.724 -7.805 -5.600 501 HG23 THR 69 HG23 THR 69 0.843 -9.422 -4.903 502 H HIS 70 HN HIS 70 1.697 -5.491 -6.055 503 HA HIS 70 HA HIS 70 3.903 -6.448 -7.622 504 HB2 HIS 70 HB2 HIS 70 1.557 -6.107 -8.515 505 HB3 HIS 70 HB1 HIS 70 1.824 -4.382 -8.363 506 HD1 HIS 70 HD1 HIS 70 2.823 -7.340 -10.429 507 HD2 HIS 70 HD2 HIS 70 3.451 -3.229 -10.302 508 HE1 HIS 70 HE1 HIS 70 3.915 -6.755 -12.618 509 HE2 HIS 70 HE2 HIS 70 4.388 -4.285 -12.474 510 H ASN 71 HN ASN 71 2.853 -3.421 -6.192 511 HA ASN 71 HA ASN 71 4.806 -1.749 -7.393 512 HB2 ASN 71 HB2 ASN 71 3.398 -1.287 -4.759 513 HB3 ASN 71 HB1 ASN 71 4.113 -0.071 -5.806 514 HD21 ASN 71 HD21 ASN 71 3.022 -1.417 -8.190 515 HD22 ASN 71 HD22 ASN 71 1.354 -0.992 -8.236 516 H THR 72 HN THR 72 4.762 -3.738 -4.537 517 HA THR 72 HA THR 72 7.203 -2.456 -3.548 518 HB THR 72 HB THR 72 6.524 -3.343 -1.343 519 HG1 THR 72 HG1 THR 72 4.030 -3.999 -2.534 520 HG21 THR 72 HG21 THR 72 5.005 -1.640 -0.928 521 HG22 THR 72 HG22 THR 72 4.115 -1.938 -2.419 522 HG23 THR 72 HG23 THR 72 5.668 -1.100 -2.474 523 H GLY 73 HN GLY 73 6.000 -5.279 -4.950 524 HA2 GLY 73 HA2 GLY 73 7.394 -6.936 -5.816 525 HA3 GLY 73 HA1 GLY 73 8.685 -6.288 -4.826 526 H LEU 74 HN LEU 74 6.027 -6.656 -2.976 527 HA LEU 74 HA LEU 74 7.312 -8.752 -1.503 528 HB2 LEU 74 HB2 LEU 74 5.833 -6.519 -0.894 529 HB3 LEU 74 HB1 LEU 74 4.701 -7.814 -0.586 530 HG LEU 74 HG LEU 74 6.360 -8.871 0.911 531 HD11 LEU 74 HD11 LEU 74 8.315 -7.493 1.588 532 HD12 LEU 74 HD12 LEU 74 7.923 -6.368 0.281 533 HD13 LEU 74 HD13 LEU 74 8.385 -8.026 -0.094 534 HD21 LEU 74 HD21 LEU 74 6.036 -7.385 2.737 535 HD22 LEU 74 HD22 LEU 74 4.615 -7.248 1.699 536 HD23 LEU 74 HD23 LEU 74 5.863 -6.004 1.658 537 H ASP 75 HN ASP 75 5.712 -10.350 -0.419 538 HA ASP 75 HA ASP 75 4.000 -11.522 -2.498 539 HB2 ASP 75 HB2 ASP 75 6.209 -12.587 -2.592 540 HB3 ASP 75 HB1 ASP 75 6.081 -12.962 -0.882 541 H LEU 76 HN LEU 76 2.611 -10.312 -0.881 542 HA LEU 76 HA LEU 76 1.918 -12.050 1.384 543 HB2 LEU 76 HB2 LEU 76 1.737 -9.120 0.938 544 HB3 LEU 76 HB1 LEU 76 0.473 -9.861 1.900 545 HG LEU 76 HG LEU 76 2.269 -8.932 3.293 546 HD11 LEU 76 HD11 LEU 76 2.623 -10.858 4.707 547 HD12 LEU 76 HD12 LEU 76 2.176 -11.940 3.390 548 HD13 LEU 76 HD13 LEU 76 0.973 -10.852 4.084 549 HD21 LEU 76 HD21 LEU 76 4.478 -9.945 3.324 550 HD22 LEU 76 HD22 LEU 76 4.134 -9.253 1.739 551 HD23 LEU 76 HD23 LEU 76 4.031 -10.996 1.981 552 HA PRO 77 HA PRO 77 -1.814 -13.126 -0.765 553 HB2 PRO 77 HB2 PRO 77 -3.018 -14.459 1.238 554 HB3 PRO 77 HB1 PRO 77 -1.569 -15.093 0.449 555 HG2 PRO 77 HG2 PRO 77 -1.833 -13.633 3.049 556 HG3 PRO 77 HG1 PRO 77 -0.873 -15.075 2.669 557 HD2 PRO 77 HD2 PRO 77 0.164 -12.551 2.776 558 HD3 PRO 77 HD1 PRO 77 0.837 -13.849 1.771 559 HA PRO 78 HA PRO 78 -5.427 -10.583 0.479 560 HB2 PRO 78 HB2 PRO 78 -7.164 -12.534 1.512 561 HB3 PRO 78 HB1 PRO 78 -7.116 -11.958 -0.155 562 HG2 PRO 78 HG2 PRO 78 -5.870 -14.387 1.051 563 HG3 PRO 78 HG1 PRO 78 -6.622 -14.181 -0.543 564 HD2 PRO 78 HD2 PRO 78 -3.982 -14.266 -0.318 565 HD3 PRO 78 HD1 PRO 78 -4.746 -13.101 -1.418 566 H THR 79 HN THR 79 -7.138 -10.571 2.520 567 HA THR 79 HA THR 79 -7.395 -9.940 4.617 568 HB THR 79 HB THR 79 -6.588 -11.306 6.432 569 HG1 THR 79 HG1 THR 79 -4.677 -12.097 4.560 570 HG21 THR 79 HG21 THR 79 -8.455 -12.143 5.122 571 HG22 THR 79 HG22 THR 79 -7.461 -13.478 5.708 572 HG23 THR 79 HG23 THR 79 -7.339 -12.959 4.027 573 H LEU 80 HN LEU 80 -4.830 -9.082 3.012 574 HA LEU 80 HA LEU 80 -3.098 -8.083 5.042 575 HB2 LEU 80 HB2 LEU 80 -2.478 -8.437 2.634 576 HB3 LEU 80 HB1 LEU 80 -3.472 -7.052 2.226 577 HG LEU 80 HG LEU 80 -2.011 -5.616 3.608 578 HD11 LEU 80 HD11 LEU 80 -0.394 -8.138 3.928 579 HD12 LEU 80 HD12 LEU 80 -1.221 -7.244 5.205 580 HD13 LEU 80 HD13 LEU 80 0.151 -6.520 4.367 581 HD21 LEU 80 HD21 LEU 80 -0.077 -5.653 2.104 582 HD22 LEU 80 HD22 LEU 80 -1.593 -5.822 1.219 583 HD23 LEU 80 HD23 LEU 80 -0.576 -7.234 1.505 584 H ILE 81 HN ILE 81 -5.868 -6.828 3.303 585 HA ILE 81 HA ILE 81 -5.822 -4.220 4.471 586 HB ILE 81 HB ILE 81 -8.246 -5.699 3.414 587 HG12 ILE 81 HG12 ILE 81 -6.683 -5.679 1.633 588 HG13 ILE 81 HG11 ILE 81 -7.755 -4.327 1.345 589 HG21 ILE 81 HG21 ILE 81 -8.616 -3.593 4.749 590 HG22 ILE 81 HG22 ILE 81 -9.243 -3.578 3.100 591 HG23 ILE 81 HG23 ILE 81 -7.738 -2.745 3.470 592 HD11 ILE 81 HD11 ILE 81 -5.397 -3.822 0.944 593 HD12 ILE 81 HD12 ILE 81 -5.069 -4.129 2.651 594 HD13 ILE 81 HD13 ILE 81 -6.129 -2.801 2.181 595 H PHE 82 HN PHE 82 -7.126 -7.298 5.378 596 HA PHE 82 HA PHE 82 -8.687 -6.408 7.553 597 HB2 PHE 82 HB2 PHE 82 -7.537 -9.120 6.874 598 HB3 PHE 82 HB1 PHE 82 -8.707 -8.829 8.152 599 HD1 PHE 82 HD1 PHE 82 -10.907 -9.212 7.677 600 HD2 PHE 82 HD2 PHE 82 -8.302 -8.102 4.494 601 HE1 PHE 82 HE1 PHE 82 -12.751 -9.456 6.075 602 HE2 PHE 82 HE2 PHE 82 -10.145 -8.351 2.893 603 HZ PHE 82 HZ PHE 82 -12.375 -9.025 3.679 604 H ASP 83 HN ASP 83 -5.324 -7.367 7.200 605 HA ASP 83 HA ASP 83 -4.835 -7.239 10.057 606 HB2 ASP 83 HB2 ASP 83 -3.588 -8.805 8.528 607 HB3 ASP 83 HB1 ASP 83 -2.805 -7.399 7.823 608 H HIS 84 HN HIS 84 -4.519 -5.221 7.240 609 HA HIS 84 HA HIS 84 -3.664 -2.978 8.952 610 HB2 HIS 84 HB2 HIS 84 -2.650 -3.709 6.211 611 HB3 HIS 84 HB1 HIS 84 -2.389 -2.134 6.933 612 HD1 HIS 84 HD1 HIS 84 -0.646 -2.001 8.860 613 HD2 HIS 84 HD2 HIS 84 -1.150 -5.809 7.270 614 HE1 HIS 84 HE1 HIS 84 1.282 -3.349 9.723 615 HE2 HIS 84 HE2 HIS 84 0.821 -5.696 8.940 616 HA PRO 85 HA PRO 85 -7.513 -2.131 6.771 617 HB2 PRO 85 HB2 PRO 85 -8.847 -0.938 8.739 618 HB3 PRO 85 HB1 PRO 85 -8.475 -2.666 8.809 619 HG2 PRO 85 HG2 PRO 85 -7.114 -0.378 10.178 620 HG3 PRO 85 HG1 PRO 85 -7.524 -1.981 10.816 621 HD2 PRO 85 HD2 PRO 85 -5.029 -1.237 9.851 622 HD3 PRO 85 HD1 PRO 85 -5.607 -2.907 10.005 623 H THR 86 HN THR 86 -5.122 0.144 7.389 624 HA THR 86 HA THR 86 -6.822 2.166 6.121 625 HB THR 86 HB THR 86 -5.645 3.953 7.301 626 HG1 THR 86 HG1 THR 86 -4.585 2.440 9.305 627 HG21 THR 86 HG21 THR 86 -6.872 1.910 9.152 628 HG22 THR 86 HG22 THR 86 -7.721 3.189 8.283 629 HG23 THR 86 HG23 THR 86 -6.579 3.599 9.561 630 HA PRO 87 HA PRO 87 -3.637 2.527 3.012 631 HB2 PRO 87 HB2 PRO 87 -3.776 5.463 3.359 632 HB3 PRO 87 HB1 PRO 87 -3.925 4.495 1.894 633 HG2 PRO 87 HG2 PRO 87 -6.075 5.595 3.034 634 HG3 PRO 87 HG1 PRO 87 -6.146 3.994 2.276 635 HD2 PRO 87 HD2 PRO 87 -6.072 4.721 5.170 636 HD3 PRO 87 HD1 PRO 87 -6.922 3.392 4.356 637 H HIS 88 HN HIS 88 -3.406 4.570 5.873 638 HA HIS 88 HA HIS 88 -0.605 4.847 5.959 639 HB2 HIS 88 HB2 HIS 88 -2.171 6.105 7.411 640 HB3 HIS 88 HB1 HIS 88 -2.568 4.619 8.257 641 HD1 HIS 88 HD1 HIS 88 0.683 6.500 7.497 642 HD2 HIS 88 HD2 HIS 88 -1.250 4.495 10.586 643 HE1 HIS 88 HE1 HIS 88 2.242 6.620 9.463 644 HE2 HIS 88 HE2 HIS 88 1.057 5.407 11.326 645 H ALA 89 HN ALA 89 -2.746 2.438 7.455 646 HA ALA 89 HA ALA 89 -0.833 0.848 8.676 647 HB1 ALA 89 HB1 ALA 89 -3.238 0.668 9.075 648 HB2 ALA 89 HB2 ALA 89 -2.507 -0.898 8.707 649 HB3 ALA 89 HB3 ALA 89 -3.441 -0.048 7.473 650 H LEU 90 HN LEU 90 -2.378 0.161 5.488 651 HA LEU 90 HA LEU 90 -0.841 -2.025 4.794 652 HB2 LEU 90 HB2 LEU 90 -2.652 -0.303 3.510 653 HB3 LEU 90 HB1 LEU 90 -1.229 -0.328 2.511 654 HG LEU 90 HG LEU 90 -1.360 -2.705 2.218 655 HD11 LEU 90 HD11 LEU 90 -2.133 -3.344 4.419 656 HD12 LEU 90 HD12 LEU 90 -3.195 -4.009 3.183 657 HD13 LEU 90 HD13 LEU 90 -3.698 -2.599 4.111 658 HD21 LEU 90 HD21 LEU 90 -2.801 -1.195 0.837 659 HD22 LEU 90 HD22 LEU 90 -4.139 -1.599 1.910 660 HD23 LEU 90 HD23 LEU 90 -3.365 -2.860 0.952 661 H THR 91 HN THR 91 -0.173 1.384 4.377 662 HA THR 91 HA THR 91 2.196 1.149 2.959 663 HB THR 91 HB THR 91 1.129 3.261 4.821 664 HG1 THR 91 HG1 THR 91 0.095 3.410 2.939 665 HG21 THR 91 HG21 THR 91 3.803 3.166 3.492 666 HG22 THR 91 HG22 THR 91 3.383 3.683 5.124 667 HG23 THR 91 HG23 THR 91 2.987 4.707 3.743 668 H GLN 92 HN GLN 92 1.615 1.466 6.441 669 HA GLN 92 HA GLN 92 4.183 1.318 7.427 670 HB2 GLN 92 HB2 GLN 92 1.675 0.067 8.564 671 HB3 GLN 92 HB1 GLN 92 3.139 0.386 9.474 672 HG2 GLN 92 HG2 GLN 92 2.837 2.806 8.987 673 HG3 GLN 92 HG1 GLN 92 1.305 2.405 8.221 674 HE21 GLN 92 HE21 GLN 92 3.015 2.674 11.221 675 HE22 GLN 92 HE22 GLN 92 1.635 2.531 12.252 676 H HIS 93 HN HIS 93 2.033 -1.303 6.471 677 HA HIS 93 HA HIS 93 3.588 -3.481 7.245 678 HB2 HIS 93 HB2 HIS 93 1.351 -3.882 6.547 679 HB3 HIS 93 HB1 HIS 93 1.614 -3.109 4.992 680 HD1 HIS 93 HD1 HIS 93 2.594 -6.273 6.866 681 HD2 HIS 93 HD2 HIS 93 2.336 -4.795 2.981 682 HE1 HIS 93 HE1 HIS 93 3.042 -8.234 5.364 683 HE2 HIS 93 HE2 HIS 93 2.717 -7.350 3.028 684 H LEU 94 HN LEU 94 3.514 -1.869 4.036 685 HA LEU 94 HA LEU 94 5.611 -3.576 3.044 686 HB2 LEU 94 HB2 LEU 94 4.428 -1.032 1.907 687 HB3 LEU 94 HB1 LEU 94 5.453 -2.162 1.043 688 HG LEU 94 HG LEU 94 2.827 -3.009 2.239 689 HD11 LEU 94 HD11 LEU 94 1.709 -2.598 0.224 690 HD12 LEU 94 HD12 LEU 94 3.197 -2.166 -0.615 691 HD13 LEU 94 HD13 LEU 94 2.545 -1.102 0.641 692 HD21 LEU 94 HD21 LEU 94 4.402 -4.777 1.608 693 HD22 LEU 94 HD22 LEU 94 4.494 -4.120 -0.031 694 HD23 LEU 94 HD23 LEU 94 2.975 -4.789 0.575 695 H HIS 95 HN HIS 95 5.500 -0.535 4.714 696 HA HIS 95 HA HIS 95 8.114 0.345 3.852 697 HB2 HIS 95 HB2 HIS 95 6.311 1.929 4.653 698 HB3 HIS 95 HB1 HIS 95 6.529 1.270 6.269 699 HD1 HIS 95 HD1 HIS 95 8.643 1.951 7.562 700 HD2 HIS 95 HD2 HIS 95 8.361 3.673 3.784 701 HE1 HIS 95 HE1 HIS 95 10.426 3.712 7.488 702 HE2 HIS 95 HE2 HIS 95 10.415 4.527 5.112 703 H THR 96 HN THR 96 6.756 -1.682 6.309 704 HA THR 96 HA THR 96 9.176 -1.743 7.884 705 HB THR 96 HB THR 96 6.375 -2.638 8.137 706 HG1 THR 96 HG1 THR 96 7.386 -0.881 9.312 707 HG21 THR 96 HG21 THR 96 7.465 -4.797 8.200 708 HG22 THR 96 HG22 THR 96 6.839 -4.362 9.791 709 HG23 THR 96 HG23 THR 96 8.566 -4.226 9.454 710 H ARG 97 HN ARG 97 7.306 -3.716 5.641 711 HA ARG 97 HA ARG 97 8.850 -6.057 5.901 712 HB2 ARG 97 HB2 ARG 97 6.937 -5.108 3.803 713 HB3 ARG 97 HB1 ARG 97 7.719 -6.671 3.712 714 HG2 ARG 97 HG2 ARG 97 6.058 -5.736 6.017 715 HG3 ARG 97 HG1 ARG 97 5.427 -6.678 4.665 716 HD2 ARG 97 HD2 ARG 97 7.656 -7.542 6.499 717 HD3 ARG 97 HD1 ARG 97 5.977 -8.049 6.613 718 HE ARG 97 HE ARG 97 7.527 -8.588 4.182 719 HH11 ARG 97 HH11 ARG 97 5.668 -9.741 6.918 720 HH12 ARG 97 HH12 ARG 97 5.596 -11.375 6.340 721 HH21 ARG 97 HH21 ARG 97 7.411 -10.752 3.411 722 HH22 ARG 97 HH22 ARG 97 6.571 -11.943 4.351 723 H LEU 98 HN LEU 98 9.326 -3.172 4.059 724 HA LEU 98 HA LEU 98 11.060 -3.919 2.096 725 HB2 LEU 98 HB2 LEU 98 10.737 -1.557 3.735 726 HB3 LEU 98 HB1 LEU 98 12.403 -1.796 3.276 727 HG LEU 98 HG LEU 98 11.926 -0.732 1.380 728 HD11 LEU 98 HD11 LEU 98 10.117 -3.051 0.715 729 HD12 LEU 98 HD12 LEU 98 11.878 -3.066 0.550 730 HD13 LEU 98 HD13 LEU 98 10.911 -1.955 -0.418 731 HD21 LEU 98 HD21 LEU 98 9.943 0.189 2.457 732 HD22 LEU 98 HD22 LEU 98 9.009 -1.200 1.900 733 HD23 LEU 98 HD23 LEU 98 9.706 -0.077 0.730 734 H THR 99 HN THR 99 11.923 -3.384 5.478 735 HA THR 99 HA THR 99 14.492 -4.659 5.068 736 HB THR 99 HB THR 99 14.754 -2.844 6.480 737 HG1 THR 99 HG1 THR 99 15.628 -4.746 7.462 738 HG21 THR 99 HG21 THR 99 12.389 -2.340 6.803 739 HG22 THR 99 HG22 THR 99 13.272 -2.253 8.330 740 HG23 THR 99 HG23 THR 99 12.266 -3.656 7.975 741 H GLN 100 HN GLN 100 11.471 -5.223 6.813 742 HA GLN 100 HA GLN 100 12.303 -7.795 7.785 743 HB2 GLN 100 HB2 GLN 100 9.556 -6.576 7.665 744 HB3 GLN 100 HB1 GLN 100 10.011 -7.994 8.592 745 HG2 GLN 100 HG2 GLN 100 11.129 -5.232 8.994 746 HG3 GLN 100 HG1 GLN 100 9.834 -5.953 9.949 747 HE21 GLN 100 HE21 GLN 100 12.481 -4.999 10.755 748 HE22 GLN 100 HE22 GLN 100 13.265 -6.347 11.503 749 H SER 101 HN SER 101 12.943 -8.546 5.583 750 HA SER 101 HA SER 101 10.800 -10.157 4.503 751 HB2 SER 101 HB2 SER 101 11.426 -9.409 2.135 752 HB3 SER 101 HB1 SER 101 10.455 -8.295 3.101 753 HG SER 101 HG SER 101 12.011 -6.897 3.020 754 H HIS 102 HN HIS 102 11.740 -11.509 2.604 755 HA HIS 102 HA HIS 102 14.364 -12.476 3.478 756 HB2 HIS 102 HB2 HIS 102 12.154 -13.857 1.986 757 HB3 HIS 102 HB1 HIS 102 13.731 -14.564 2.228 758 HD1 HIS 102 HD1 HIS 102 14.096 -15.800 4.378 759 HD2 HIS 102 HD2 HIS 102 10.705 -13.402 4.476 760 HE1 HIS 102 HE1 HIS 102 12.945 -16.344 6.544 761 HE2 HIS 102 HE2 HIS 102 10.979 -14.776 6.644 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 13.502 -2.531 -17.652 2 H2 GLY 1 HT2 GLY 1 14.355 -2.472 -16.193 3 H3 GLY 1 HT3 GLY 1 12.915 -1.609 -16.361 4 HA2 GLY 1 HA1 GLY 1 11.660 -3.649 -16.558 5 HA3 GLY 1 HA2 GLY 1 13.157 -4.563 -16.419 6 H ALA 2 HN ALA 2 10.866 -4.764 -14.695 7 HA ALA 2 HA ALA 2 12.178 -4.098 -12.168 8 HB1 ALA 2 HB1 ALA 2 10.101 -3.248 -11.203 9 HB2 ALA 2 HB2 ALA 2 9.294 -3.438 -12.760 10 HB3 ALA 2 HB3 ALA 2 10.607 -2.274 -12.583 11 H ALA 3 HN ALA 3 12.512 -6.500 -12.752 12 HA ALA 3 HA ALA 3 10.447 -8.374 -12.419 13 HB1 ALA 3 HB1 ALA 3 13.378 -8.641 -11.740 14 HB2 ALA 3 HB2 ALA 3 12.635 -8.995 -13.299 15 HB3 ALA 3 HB3 ALA 3 12.237 -9.976 -11.890 16 H SER 4 HN SER 4 12.676 -6.900 -10.113 17 HA SER 4 HA SER 4 10.872 -7.704 -7.941 18 HB2 SER 4 HB2 SER 4 13.196 -8.508 -7.679 19 HB3 SER 4 HB1 SER 4 13.769 -6.845 -7.780 20 HG SER 4 HG SER 4 11.992 -7.854 -5.805 21 H ALA 5 HN ALA 5 9.384 -6.031 -8.072 22 HA ALA 5 HA ALA 5 10.201 -3.313 -8.343 23 HB1 ALA 5 HB1 ALA 5 7.574 -4.448 -7.398 24 HB2 ALA 5 HB2 ALA 5 7.995 -4.046 -9.062 25 HB3 ALA 5 HB3 ALA 5 7.869 -2.770 -7.853 26 H ALA 6 HN ALA 6 10.613 -5.390 -5.843 27 HA ALA 6 HA ALA 6 10.063 -3.569 -3.664 28 HB1 ALA 6 HB1 ALA 6 11.540 -6.205 -3.753 29 HB2 ALA 6 HB2 ALA 6 9.844 -5.962 -3.316 30 HB3 ALA 6 HB3 ALA 6 11.124 -5.316 -2.285 31 H THR 7 HN THR 7 12.503 -4.094 -5.931 32 HA THR 7 HA THR 7 14.364 -2.504 -4.322 33 HB THR 7 HB THR 7 15.360 -4.584 -5.107 34 HG1 THR 7 HG1 THR 7 16.290 -2.084 -5.868 35 HG21 THR 7 HG21 THR 7 15.799 -4.975 -7.481 36 HG22 THR 7 HG22 THR 7 14.875 -3.532 -7.891 37 HG23 THR 7 HG23 THR 7 14.064 -4.919 -7.158 38 H ASP 8 HN ASP 8 11.903 -2.077 -6.314 39 HA ASP 8 HA ASP 8 13.081 0.249 -7.640 40 HB2 ASP 8 HB2 ASP 8 10.969 -1.607 -8.350 41 HB3 ASP 8 HB1 ASP 8 10.406 0.062 -8.339 42 H LEU 9 HN LEU 9 10.714 -0.979 -5.451 43 HA LEU 9 HA LEU 9 9.360 1.446 -4.950 44 HB2 LEU 9 HB2 LEU 9 8.309 -0.598 -4.306 45 HB3 LEU 9 HB1 LEU 9 9.692 -1.075 -3.345 46 HG LEU 9 HG LEU 9 9.286 0.931 -1.901 47 HD11 LEU 9 HD11 LEU 9 7.951 2.201 -3.492 48 HD12 LEU 9 HD12 LEU 9 7.095 1.966 -1.957 49 HD13 LEU 9 HD13 LEU 9 6.655 0.991 -3.363 50 HD21 LEU 9 HD21 LEU 9 7.109 -1.136 -1.982 51 HD22 LEU 9 HD22 LEU 9 7.579 -0.159 -0.596 52 HD23 LEU 9 HD23 LEU 9 8.698 -1.345 -1.260 53 H ALA 10 HN ALA 10 11.593 -0.452 -3.046 54 HA ALA 10 HA ALA 10 12.299 1.539 -1.179 55 HB1 ALA 10 HB1 ALA 10 13.848 -0.877 -2.107 56 HB2 ALA 10 HB2 ALA 10 12.730 -0.791 -0.741 57 HB3 ALA 10 HB3 ALA 10 14.251 0.103 -0.696 58 H ALA 11 HN ALA 11 12.843 1.497 -4.435 59 HA ALA 11 HA ALA 11 15.408 2.807 -4.442 60 HB1 ALA 11 HB1 ALA 11 14.906 3.164 -6.840 61 HB2 ALA 11 HB2 ALA 11 13.335 2.396 -6.582 62 HB3 ALA 11 HB3 ALA 11 14.821 1.473 -6.348 63 H ARG 12 HN ARG 12 11.939 3.668 -4.673 64 HA ARG 12 HA ARG 12 12.307 6.457 -4.903 65 HB2 ARG 12 HB2 ARG 12 10.146 4.664 -3.880 66 HB3 ARG 12 HB1 ARG 12 9.993 6.394 -3.687 67 HG2 ARG 12 HG2 ARG 12 8.786 5.936 -5.585 68 HG3 ARG 12 HG1 ARG 12 10.346 6.459 -6.220 69 HD2 ARG 12 HD2 ARG 12 10.951 4.331 -6.852 70 HD3 ARG 12 HD1 ARG 12 9.848 3.583 -5.694 71 HE ARG 12 HE ARG 12 8.121 4.762 -7.336 72 HH11 ARG 12 HH11 ARG 12 10.949 2.823 -8.091 73 HH12 ARG 12 HH12 ARG 12 10.306 2.254 -9.599 74 HH21 ARG 12 HH21 ARG 12 7.276 4.005 -9.297 75 HH22 ARG 12 HH22 ARG 12 8.207 2.919 -10.278 76 H LEU 13 HN LEU 13 12.465 4.204 -2.297 77 HA LEU 13 HA LEU 13 11.973 6.153 -0.215 78 HB2 LEU 13 HB2 LEU 13 12.427 3.212 -0.312 79 HB3 LEU 13 HB1 LEU 13 12.524 4.055 1.215 80 HG LEU 13 HG LEU 13 10.219 4.625 1.165 81 HD11 LEU 13 HD11 LEU 13 8.820 3.872 -0.832 82 HD12 LEU 13 HD12 LEU 13 10.357 3.912 -1.714 83 HD13 LEU 13 HD13 LEU 13 9.737 5.375 -0.935 84 HD21 LEU 13 HD21 LEU 13 9.117 2.479 0.998 85 HD22 LEU 13 HD22 LEU 13 10.691 2.318 1.780 86 HD23 LEU 13 HD23 LEU 13 10.488 1.834 0.097 87 H ASN 14 HN ASN 14 14.548 4.035 -1.229 88 HA ASN 14 HA ASN 14 16.576 4.758 0.481 89 HB2 ASN 14 HB2 ASN 14 16.334 3.731 -2.276 90 HB3 ASN 14 HB1 ASN 14 17.922 4.386 -1.832 91 HD21 ASN 14 HD21 ASN 14 17.042 1.649 -2.441 92 HD22 ASN 14 HD22 ASN 14 17.449 0.696 -1.061 93 H GLY 15 HN GLY 15 17.691 6.555 0.847 94 HA2 GLY 15 HA2 GLY 15 18.746 8.582 0.183 95 HA3 GLY 15 HA1 GLY 15 17.618 8.701 -1.160 96 H LEU 16 HN LEU 16 15.558 7.807 0.995 97 HA LEU 16 HA LEU 16 14.968 10.567 1.798 98 HB2 LEU 16 HB2 LEU 16 13.251 8.237 1.089 99 HB3 LEU 16 HB1 LEU 16 12.624 9.438 2.184 100 HG LEU 16 HG LEU 16 11.855 9.945 -0.018 101 HD11 LEU 16 HD11 LEU 16 14.113 11.818 0.592 102 HD12 LEU 16 HD12 LEU 16 12.620 11.744 1.538 103 HD13 LEU 16 HD13 LEU 16 12.567 12.191 -0.175 104 HD21 LEU 16 HD21 LEU 16 13.515 8.758 -1.329 105 HD22 LEU 16 HD22 LEU 16 14.758 9.908 -0.838 106 HD23 LEU 16 HD23 LEU 16 13.418 10.438 -1.855 107 H SER 17 HN SER 17 13.714 10.807 3.786 108 HA SER 17 HA SER 17 14.802 9.276 5.985 109 HB2 SER 17 HB2 SER 17 12.750 11.497 5.917 110 HB3 SER 17 HB1 SER 17 13.554 10.883 7.354 111 HG SER 17 HG SER 17 15.305 11.625 5.386 112 HA PRO 18 HA PRO 18 11.829 6.154 6.593 113 HB2 PRO 18 HB2 PRO 18 11.171 7.479 9.200 114 HB3 PRO 18 HB1 PRO 18 11.498 5.772 8.859 115 HG2 PRO 18 HG2 PRO 18 13.402 7.243 9.931 116 HG3 PRO 18 HG1 PRO 18 13.802 6.148 8.594 117 HD2 PRO 18 HD2 PRO 18 13.463 9.109 8.566 118 HD3 PRO 18 HD1 PRO 18 14.631 8.095 7.695 119 H GLN 19 HN GLN 19 10.522 9.212 7.878 120 HA GLN 19 HA GLN 19 7.801 8.665 7.386 121 HB2 GLN 19 HB2 GLN 19 8.688 10.471 8.861 122 HB3 GLN 19 HB1 GLN 19 9.127 11.366 7.413 123 HG2 GLN 19 HG2 GLN 19 7.076 12.260 8.105 124 HG3 GLN 19 HG1 GLN 19 6.720 11.206 6.735 125 HE21 GLN 19 HE21 GLN 19 4.573 11.029 7.388 126 HE22 GLN 19 HE22 GLN 19 4.111 10.033 8.725 127 H GLN 20 HN GLN 20 10.308 10.049 5.346 128 HA GLN 20 HA GLN 20 8.529 10.960 3.299 129 HB2 GLN 20 HB2 GLN 20 11.499 10.466 3.336 130 HB3 GLN 20 HB1 GLN 20 10.648 11.173 1.965 131 HG2 GLN 20 HG2 GLN 20 9.847 12.967 3.529 132 HG3 GLN 20 HG1 GLN 20 10.933 12.287 4.726 133 HE21 GLN 20 HE21 GLN 20 10.673 14.109 1.818 134 HE22 GLN 20 HE22 GLN 20 12.326 14.624 1.748 135 H GLN 21 HN GLN 21 10.646 8.206 3.772 136 HA GLN 21 HA GLN 21 10.135 6.739 1.467 137 HB2 GLN 21 HB2 GLN 21 10.582 5.806 4.316 138 HB3 GLN 21 HB1 GLN 21 10.689 4.763 2.909 139 HG2 GLN 21 HG2 GLN 21 12.576 5.953 2.086 140 HG3 GLN 21 HG1 GLN 21 12.413 7.198 3.328 141 HE21 GLN 21 HE21 GLN 21 11.999 3.749 3.884 142 HE22 GLN 21 HE22 GLN 21 13.402 3.552 4.873 143 H GLN 22 HN GLN 22 8.328 7.072 4.446 144 HA GLN 22 HA GLN 22 6.361 5.116 3.906 145 HB2 GLN 22 HB2 GLN 22 6.947 6.196 6.130 146 HB3 GLN 22 HB1 GLN 22 5.981 7.546 5.583 147 HG2 GLN 22 HG2 GLN 22 4.575 5.080 5.250 148 HG3 GLN 22 HG1 GLN 22 5.130 5.283 6.900 149 HE21 GLN 22 HE21 GLN 22 4.951 8.201 6.764 150 HE22 GLN 22 HE22 GLN 22 3.266 8.581 6.828 151 H GLN 23 HN GLN 23 6.513 8.612 3.401 152 HA GLN 23 HA GLN 23 3.984 9.142 2.487 153 HB2 GLN 23 HB2 GLN 23 6.587 10.284 1.638 154 HB3 GLN 23 HB1 GLN 23 5.037 10.998 1.220 155 HG2 GLN 23 HG2 GLN 23 4.518 11.330 3.545 156 HG3 GLN 23 HG1 GLN 23 5.995 10.522 4.025 157 HE21 GLN 23 HE21 GLN 23 5.125 13.179 4.693 158 HE22 GLN 23 HE22 GLN 23 6.317 14.272 4.078 159 H THR 24 HN THR 24 6.722 7.978 0.578 160 HA THR 24 HA THR 24 5.574 8.072 -1.966 161 HB THR 24 HB THR 24 7.613 6.323 -0.643 162 HG1 THR 24 HG1 THR 24 7.573 8.573 -2.241 163 HG21 THR 24 HG21 THR 24 6.417 4.932 -2.323 164 HG22 THR 24 HG22 THR 24 8.112 5.217 -2.729 165 HG23 THR 24 HG23 THR 24 6.841 6.121 -3.558 166 H LEU 25 HN LEU 25 5.378 5.526 0.514 167 HA LEU 25 HA LEU 25 3.604 3.889 -1.078 168 HB2 LEU 25 HB2 LEU 25 4.189 3.884 1.862 169 HB3 LEU 25 HB1 LEU 25 3.304 2.640 1.011 170 HG LEU 25 HG LEU 25 6.069 3.232 0.106 171 HD11 LEU 25 HD11 LEU 25 7.024 1.865 1.842 172 HD12 LEU 25 HD12 LEU 25 5.433 1.598 2.555 173 HD13 LEU 25 HD13 LEU 25 6.149 3.210 2.583 174 HD21 LEU 25 HD21 LEU 25 4.432 0.720 0.454 175 HD22 LEU 25 HD22 LEU 25 6.040 0.808 -0.256 176 HD23 LEU 25 HD23 LEU 25 4.683 1.595 -1.056 177 H ALA 26 HN ALA 26 3.411 6.170 1.553 178 HA ALA 26 HA ALA 26 0.629 6.028 1.993 179 HB1 ALA 26 HB1 ALA 26 0.986 7.812 3.489 180 HB2 ALA 26 HB2 ALA 26 2.343 8.436 2.549 181 HB3 ALA 26 HB3 ALA 26 2.530 6.944 3.474 182 H THR 27 HN THR 27 2.049 6.819 -0.699 183 HA THR 27 HA THR 27 -0.014 8.718 -1.533 184 HB THR 27 HB THR 27 2.881 8.441 -2.307 185 HG1 THR 27 HG1 THR 27 2.626 9.971 -0.790 186 HG21 THR 27 HG21 THR 27 2.530 9.942 -4.187 187 HG22 THR 27 HG22 THR 27 0.787 9.901 -3.908 188 HG23 THR 27 HG23 THR 27 1.641 8.430 -4.394 189 H LEU 28 HN LEU 28 2.173 6.176 -2.516 190 HA LEU 28 HA LEU 28 0.914 5.444 -4.895 191 HB2 LEU 28 HB2 LEU 28 3.103 4.801 -4.832 192 HB3 LEU 28 HB1 LEU 28 3.010 4.348 -3.147 193 HG LEU 28 HG LEU 28 1.338 2.541 -4.179 194 HD11 LEU 28 HD11 LEU 28 1.800 3.340 -6.470 195 HD12 LEU 28 HD12 LEU 28 2.153 1.631 -6.218 196 HD13 LEU 28 HD13 LEU 28 3.472 2.810 -6.272 197 HD21 LEU 28 HD21 LEU 28 3.049 2.031 -2.629 198 HD22 LEU 28 HD22 LEU 28 4.311 2.345 -3.829 199 HD23 LEU 28 HD23 LEU 28 3.234 0.960 -4.019 200 H VAL 29 HN VAL 29 0.833 4.160 -1.651 201 HA VAL 29 HA VAL 29 -0.767 1.902 -2.223 202 HB VAL 29 HB VAL 29 -0.224 3.415 0.328 203 HG11 VAL 29 HG11 VAL 29 -2.447 2.362 0.459 204 HG12 VAL 29 HG12 VAL 29 -1.288 1.614 1.561 205 HG13 VAL 29 HG13 VAL 29 -1.722 0.805 0.055 206 HG21 VAL 29 HG21 VAL 29 1.636 2.186 -0.695 207 HG22 VAL 29 HG22 VAL 29 0.680 0.704 -0.639 208 HG23 VAL 29 HG23 VAL 29 1.164 1.497 0.860 209 H ALA 30 HN ALA 30 -1.384 5.196 -1.386 210 HA ALA 30 HA ALA 30 -4.213 4.905 -1.151 211 HB1 ALA 30 HB1 ALA 30 -2.464 7.305 -1.524 212 HB2 ALA 30 HB2 ALA 30 -3.067 6.669 0.007 213 HB3 ALA 30 HB3 ALA 30 -4.187 7.355 -1.172 214 H ALA 31 HN ALA 31 -1.916 5.740 -3.599 215 HA ALA 31 HA ALA 31 -3.686 6.479 -5.655 216 HB1 ALA 31 HB1 ALA 31 -1.299 6.932 -5.764 217 HB2 ALA 31 HB2 ALA 31 -1.769 5.930 -7.141 218 HB3 ALA 31 HB3 ALA 31 -0.944 5.208 -5.752 219 H ALA 32 HN ALA 32 -2.267 3.454 -4.637 220 HA ALA 32 HA ALA 32 -3.494 1.660 -6.353 221 HB1 ALA 32 HB1 ALA 32 -3.240 0.100 -4.351 222 HB2 ALA 32 HB2 ALA 32 -2.589 1.510 -3.497 223 HB3 ALA 32 HB3 ALA 32 -1.780 0.899 -4.940 224 H THR 33 HN THR 33 -4.662 2.956 -3.221 225 HA THR 33 HA THR 33 -7.146 1.510 -3.463 226 HB THR 33 HB THR 33 -6.618 3.824 -1.595 227 HG1 THR 33 HG1 THR 33 -4.940 2.168 -1.474 228 HG21 THR 33 HG21 THR 33 -8.155 2.454 -0.141 229 HG22 THR 33 HG22 THR 33 -8.452 1.430 -1.550 230 HG23 THR 33 HG23 THR 33 -8.901 3.136 -1.587 231 H ALA 34 HN ALA 34 -5.929 4.548 -4.519 232 HA ALA 34 HA ALA 34 -8.425 5.790 -5.025 233 HB1 ALA 34 HB1 ALA 34 -6.357 7.070 -4.938 234 HB2 ALA 34 HB2 ALA 34 -7.137 7.265 -6.511 235 HB3 ALA 34 HB3 ALA 34 -5.738 6.200 -6.343 236 H THR 35 HN THR 35 -6.438 3.458 -6.612 237 HA THR 35 HA THR 35 -7.774 3.381 -9.102 238 HB THR 35 HB THR 35 -5.737 1.811 -7.648 239 HG1 THR 35 HG1 THR 35 -6.085 2.846 -10.261 240 HG21 THR 35 HG21 THR 35 -5.882 -0.129 -9.044 241 HG22 THR 35 HG22 THR 35 -7.252 0.556 -9.919 242 HG23 THR 35 HG23 THR 35 -7.427 0.115 -8.217 243 H VAL 36 HN VAL 36 -7.955 1.409 -6.137 244 HA VAL 36 HA VAL 36 -9.726 -0.508 -7.115 245 HB VAL 36 HB VAL 36 -10.232 -0.994 -4.722 246 HG11 VAL 36 HG11 VAL 36 -8.484 -2.223 -5.590 247 HG12 VAL 36 HG12 VAL 36 -7.841 -1.529 -4.105 248 HG13 VAL 36 HG13 VAL 36 -7.418 -0.819 -5.665 249 HG21 VAL 36 HG21 VAL 36 -8.536 0.228 -3.178 250 HG22 VAL 36 HG22 VAL 36 -10.155 0.853 -3.476 251 HG23 VAL 36 HG23 VAL 36 -8.780 1.522 -4.355 252 H LEU 37 HN LEU 37 -10.361 2.668 -5.774 253 HA LEU 37 HA LEU 37 -13.225 2.053 -5.624 254 HB2 LEU 37 HB2 LEU 37 -11.902 4.594 -4.757 255 HB3 LEU 37 HB1 LEU 37 -13.426 3.920 -4.217 256 HG LEU 37 HG LEU 37 -10.760 2.650 -3.658 257 HD11 LEU 37 HD11 LEU 37 -10.859 3.635 -1.478 258 HD12 LEU 37 HD12 LEU 37 -12.385 4.429 -1.864 259 HD13 LEU 37 HD13 LEU 37 -10.904 4.897 -2.704 260 HD21 LEU 37 HD21 LEU 37 -12.670 1.147 -3.563 261 HD22 LEU 37 HD22 LEU 37 -13.494 2.249 -2.462 262 HD23 LEU 37 HD23 LEU 37 -12.016 1.432 -1.950 263 H GLY 38 HN GLY 38 -11.264 2.994 -7.982 264 HA2 GLY 38 HA2 GLY 38 -11.571 4.104 -9.961 265 HA3 GLY 38 HA1 GLY 38 -13.282 4.112 -9.577 266 H HIS 39 HN HIS 39 -10.680 5.693 -7.756 267 HA HIS 39 HA HIS 39 -11.988 8.265 -8.337 268 HB2 HIS 39 HB2 HIS 39 -10.461 7.284 -5.964 269 HB3 HIS 39 HB1 HIS 39 -10.561 9.008 -6.289 270 HD1 HIS 39 HD1 HIS 39 -12.565 10.173 -5.391 271 HD2 HIS 39 HD2 HIS 39 -13.132 6.063 -5.666 272 HE1 HIS 39 HE1 HIS 39 -14.789 9.722 -4.318 273 HE2 HIS 39 HE2 HIS 39 -15.198 7.266 -4.686 274 H HIS 40 HN HIS 40 -9.135 6.449 -8.673 275 HA HIS 40 HA HIS 40 -7.278 6.724 -9.914 276 HB2 HIS 40 HB2 HIS 40 -8.896 8.028 -11.434 277 HB3 HIS 40 HB1 HIS 40 -8.154 9.473 -10.758 278 HD1 HIS 40 HD1 HIS 40 -7.976 8.433 -13.793 279 HD2 HIS 40 HD2 HIS 40 -5.018 8.129 -10.880 280 HE1 HIS 40 HE1 HIS 40 -5.805 8.243 -15.046 281 HE2 HIS 40 HE2 HIS 40 -4.048 7.932 -13.268 282 H THR 41 HN THR 41 -8.118 9.781 -8.228 283 HA THR 41 HA THR 41 -5.277 10.154 -7.739 284 HB THR 41 HB THR 41 -6.496 12.136 -8.458 285 HG1 THR 41 HG1 THR 41 -5.285 13.331 -7.195 286 HG21 THR 41 HG21 THR 41 -8.669 11.593 -7.418 287 HG22 THR 41 HG22 THR 41 -8.114 13.215 -7.005 288 HG23 THR 41 HG23 THR 41 -7.949 11.903 -5.838 289 HA PRO 42 HA PRO 42 -5.377 8.638 -3.587 290 HB2 PRO 42 HB2 PRO 42 -3.037 10.246 -3.043 291 HB3 PRO 42 HB1 PRO 42 -3.151 8.501 -3.246 292 HG2 PRO 42 HG2 PRO 42 -1.914 10.165 -5.032 293 HG3 PRO 42 HG1 PRO 42 -2.609 8.586 -5.430 294 HD2 PRO 42 HD2 PRO 42 -3.733 11.308 -5.960 295 HD3 PRO 42 HD1 PRO 42 -3.810 9.814 -6.912 296 H GLU 43 HN GLU 43 -5.635 11.875 -4.541 297 HA GLU 43 HA GLU 43 -5.595 13.224 -2.084 298 HB2 GLU 43 HB2 GLU 43 -6.973 13.771 -4.686 299 HB3 GLU 43 HB1 GLU 43 -7.173 14.841 -3.303 300 HG2 GLU 43 HG2 GLU 43 -4.580 14.101 -4.606 301 HG3 GLU 43 HG1 GLU 43 -5.445 15.619 -4.834 302 H SER 44 HN SER 44 -8.085 11.334 -3.643 303 HA SER 44 HA SER 44 -10.095 12.071 -1.696 304 HB2 SER 44 HB2 SER 44 -10.214 9.938 -3.806 305 HB3 SER 44 HB1 SER 44 -11.573 10.695 -2.987 306 HG SER 44 HG SER 44 -10.428 12.713 -3.963 307 H ILE 45 HN ILE 45 -7.471 10.220 -1.543 308 HA ILE 45 HA ILE 45 -8.723 8.024 -0.032 309 HB ILE 45 HB ILE 45 -5.950 8.052 -1.198 310 HG12 ILE 45 HG12 ILE 45 -7.543 8.239 -3.023 311 HG13 ILE 45 HG11 ILE 45 -6.846 6.627 -2.987 312 HG21 ILE 45 HG21 ILE 45 -6.322 6.480 0.660 313 HG22 ILE 45 HG22 ILE 45 -6.018 5.653 -0.867 314 HG23 ILE 45 HG23 ILE 45 -7.662 5.762 -0.238 315 HD11 ILE 45 HD11 ILE 45 -9.560 7.371 -1.939 316 HD12 ILE 45 HD12 ILE 45 -8.858 5.751 -1.971 317 HD13 ILE 45 HD13 ILE 45 -9.220 6.587 -3.481 318 H SER 46 HN SER 46 -8.805 9.102 1.972 319 HA SER 46 HA SER 46 -6.456 10.240 3.147 320 HB2 SER 46 HB2 SER 46 -8.884 10.788 3.753 321 HB3 SER 46 HB1 SER 46 -8.880 9.263 4.625 322 HG SER 46 HG SER 46 -7.453 11.616 5.160 323 HA PRO 47 HA PRO 47 -4.701 6.417 4.379 324 HB2 PRO 47 HB2 PRO 47 -2.762 7.263 5.958 325 HB3 PRO 47 HB1 PRO 47 -2.827 7.841 4.293 326 HG2 PRO 47 HG2 PRO 47 -3.641 9.223 6.807 327 HG3 PRO 47 HG1 PRO 47 -2.827 9.883 5.382 328 HD2 PRO 47 HD2 PRO 47 -5.585 9.991 5.940 329 HD3 PRO 47 HD1 PRO 47 -4.815 10.355 4.372 330 H ALA 48 HN ALA 48 -6.620 8.177 6.332 331 HA ALA 48 HA ALA 48 -6.243 6.403 8.610 332 HB1 ALA 48 HB1 ALA 48 -5.290 8.680 8.863 333 HB2 ALA 48 HB2 ALA 48 -6.477 8.229 10.096 334 HB3 ALA 48 HB3 ALA 48 -6.938 9.307 8.777 335 H THR 49 HN THR 49 -8.297 7.374 6.234 336 HA THR 49 HA THR 49 -10.806 7.476 7.504 337 HB THR 49 HB THR 49 -9.887 6.839 4.719 338 HG1 THR 49 HG1 THR 49 -11.135 8.818 4.343 339 HG21 THR 49 HG21 THR 49 -12.218 6.790 3.992 340 HG22 THR 49 HG22 THR 49 -12.737 6.863 5.676 341 HG23 THR 49 HG23 THR 49 -11.831 5.465 5.090 342 H ALA 50 HN ALA 50 -8.941 4.929 6.055 343 HA ALA 50 HA ALA 50 -8.748 2.705 6.699 344 HB1 ALA 50 HB1 ALA 50 -10.504 1.456 7.748 345 HB2 ALA 50 HB2 ALA 50 -11.628 2.808 7.570 346 HB3 ALA 50 HB3 ALA 50 -10.238 2.949 8.652 347 H PHE 51 HN PHE 51 -8.844 1.166 5.333 348 HA PHE 51 HA PHE 51 -9.810 1.439 2.765 349 HB2 PHE 51 HB2 PHE 51 -9.183 -1.010 4.389 350 HB3 PHE 51 HB1 PHE 51 -9.528 -1.070 2.661 351 HD1 PHE 51 HD1 PHE 51 -8.195 1.182 1.574 352 HD2 PHE 51 HD2 PHE 51 -6.975 -1.390 4.715 353 HE1 PHE 51 HE1 PHE 51 -5.855 1.716 1.089 354 HE2 PHE 51 HE2 PHE 51 -4.625 -0.868 4.249 355 HZ PHE 51 HZ PHE 51 -4.064 0.721 2.430 356 H LYS 52 HN LYS 52 -11.274 -0.282 5.476 357 HA LYS 52 HA LYS 52 -13.540 -1.290 4.305 358 HB2 LYS 52 HB2 LYS 52 -13.292 0.069 6.995 359 HB3 LYS 52 HB1 LYS 52 -14.620 -0.979 6.523 360 HG2 LYS 52 HG2 LYS 52 -12.903 -2.798 6.218 361 HG3 LYS 52 HG1 LYS 52 -11.740 -1.708 6.964 362 HD2 LYS 52 HD2 LYS 52 -14.311 -2.600 8.266 363 HD3 LYS 52 HD1 LYS 52 -12.745 -3.350 8.527 364 HE2 LYS 52 HE2 LYS 52 -13.052 -1.920 10.342 365 HE3 LYS 52 HE1 LYS 52 -11.915 -1.120 9.273 366 HZ1 LYS 52 HZ1 LYS 52 -13.625 0.368 10.209 367 HZ2 LYS 52 HZ2 LYS 52 -14.819 -0.505 9.393 368 HZ3 LYS 52 HZ3 LYS 52 -13.647 0.344 8.522 369 H ASP 53 HN ASP 53 -12.903 1.910 5.581 370 HA ASP 53 HA ASP 53 -15.563 2.875 5.145 371 HB2 ASP 53 HB2 ASP 53 -13.013 4.196 6.105 372 HB3 ASP 53 HB1 ASP 53 -14.559 5.042 5.968 373 H LEU 54 HN LEU 54 -12.920 2.418 3.262 374 HA LEU 54 HA LEU 54 -13.286 4.723 1.531 375 HB2 LEU 54 HB2 LEU 54 -11.266 2.535 1.767 376 HB3 LEU 54 HB1 LEU 54 -11.367 3.448 0.283 377 HG LEU 54 HG LEU 54 -10.975 4.735 2.981 378 HD11 LEU 54 HD11 LEU 54 -9.116 3.243 2.614 379 HD12 LEU 54 HD12 LEU 54 -8.606 4.915 2.384 380 HD13 LEU 54 HD13 LEU 54 -8.893 3.883 0.986 381 HD21 LEU 54 HD21 LEU 54 -10.122 6.584 1.602 382 HD22 LEU 54 HD22 LEU 54 -11.812 6.210 1.271 383 HD23 LEU 54 HD23 LEU 54 -10.557 5.674 0.157 384 H GLY 55 HN GLY 55 -14.044 1.334 1.717 385 HA2 GLY 55 HA2 GLY 55 -15.945 0.735 0.210 386 HA3 GLY 55 HA1 GLY 55 -14.985 1.436 -1.085 387 H ILE 56 HN ILE 56 -12.844 0.046 0.927 388 HA ILE 56 HA ILE 56 -12.250 -2.122 -0.773 389 HB ILE 56 HB ILE 56 -11.348 -1.438 2.011 390 HG12 ILE 56 HG12 ILE 56 -10.169 0.014 0.741 391 HG13 ILE 56 HG11 ILE 56 -9.115 -1.374 0.603 392 HG21 ILE 56 HG21 ILE 56 -11.098 -3.673 2.132 393 HG22 ILE 56 HG22 ILE 56 -9.542 -3.192 1.438 394 HG23 ILE 56 HG23 ILE 56 -10.807 -3.847 0.401 395 HD11 ILE 56 HD11 ILE 56 -10.176 -1.940 -1.539 396 HD12 ILE 56 HD12 ILE 56 -9.376 -0.370 -1.537 397 HD13 ILE 56 HD13 ILE 56 -11.132 -0.458 -1.416 398 H ASP 57 HN ASP 57 -13.880 -3.603 -1.014 399 HA ASP 57 HA ASP 57 -14.468 -5.170 1.406 400 HB2 ASP 57 HB2 ASP 57 -16.457 -3.910 0.726 401 HB3 ASP 57 HB1 ASP 57 -16.353 -4.601 -0.889 402 H SER 58 HN SER 58 -12.769 -6.564 0.930 403 HA SER 58 HA SER 58 -11.980 -8.581 0.291 404 HB2 SER 58 HB2 SER 58 -14.483 -8.980 -1.267 405 HB3 SER 58 HB1 SER 58 -13.439 -10.216 -0.593 406 HG SER 58 HG SER 58 -15.541 -9.308 0.539 407 H LEU 59 HN LEU 59 -13.826 -7.708 -2.610 408 HA LEU 59 HA LEU 59 -11.949 -8.688 -4.451 409 HB2 LEU 59 HB2 LEU 59 -14.050 -6.548 -4.727 410 HB3 LEU 59 HB1 LEU 59 -13.096 -7.129 -6.066 411 HG LEU 59 HG LEU 59 -14.081 -9.349 -5.860 412 HD11 LEU 59 HD11 LEU 59 -15.740 -8.183 -3.634 413 HD12 LEU 59 HD12 LEU 59 -14.456 -9.377 -3.444 414 HD13 LEU 59 HD13 LEU 59 -15.917 -9.789 -4.342 415 HD21 LEU 59 HD21 LEU 59 -15.157 -7.749 -7.291 416 HD22 LEU 59 HD22 LEU 59 -16.052 -7.084 -5.926 417 HD23 LEU 59 HD23 LEU 59 -16.385 -8.726 -6.484 418 H THR 60 HN THR 60 -12.583 -5.400 -3.328 419 HA THR 60 HA THR 60 -10.425 -4.348 -4.904 420 HB THR 60 HB THR 60 -10.967 -2.250 -3.447 421 HG1 THR 60 HG1 THR 60 -13.509 -2.782 -3.166 422 HG21 THR 60 HG21 THR 60 -12.711 -1.654 -5.040 423 HG22 THR 60 HG22 THR 60 -12.917 -3.352 -5.470 424 HG23 THR 60 HG23 THR 60 -11.403 -2.525 -5.849 425 H ALA 61 HN ALA 61 -10.775 -5.787 -1.877 426 HA ALA 61 HA ALA 61 -8.428 -4.607 -0.698 427 HB1 ALA 61 HB1 ALA 61 -10.257 -5.646 0.643 428 HB2 ALA 61 HB2 ALA 61 -8.640 -6.242 1.030 429 HB3 ALA 61 HB3 ALA 61 -9.732 -7.223 0.045 430 H LEU 62 HN LEU 62 -9.225 -7.486 -2.593 431 HA LEU 62 HA LEU 62 -6.551 -8.469 -2.627 432 HB2 LEU 62 HB2 LEU 62 -8.905 -9.595 -3.166 433 HB3 LEU 62 HB1 LEU 62 -8.478 -9.090 -4.779 434 HG LEU 62 HG LEU 62 -7.606 -11.173 -4.877 435 HD11 LEU 62 HD11 LEU 62 -5.361 -9.829 -3.379 436 HD12 LEU 62 HD12 LEU 62 -5.680 -9.690 -5.107 437 HD13 LEU 62 HD13 LEU 62 -5.231 -11.251 -4.418 438 HD21 LEU 62 HD21 LEU 62 -6.770 -12.417 -2.913 439 HD22 LEU 62 HD22 LEU 62 -8.441 -11.879 -2.741 440 HD23 LEU 62 HD23 LEU 62 -7.148 -11.018 -1.911 441 H GLU 63 HN GLU 63 -8.579 -6.545 -4.915 442 HA GLU 63 HA GLU 63 -6.633 -6.311 -6.895 443 HB2 GLU 63 HB2 GLU 63 -8.774 -5.775 -7.568 444 HB3 GLU 63 HB1 GLU 63 -9.153 -4.962 -6.060 445 HG2 GLU 63 HG2 GLU 63 -9.107 -3.285 -7.657 446 HG3 GLU 63 HG1 GLU 63 -7.582 -3.186 -6.774 447 H LEU 64 HN LEU 64 -7.324 -4.442 -3.952 448 HA LEU 64 HA LEU 64 -5.384 -2.465 -4.181 449 HB2 LEU 64 HB2 LEU 64 -6.982 -3.541 -2.090 450 HB3 LEU 64 HB1 LEU 64 -5.310 -3.618 -1.549 451 HG LEU 64 HG LEU 64 -6.777 -1.138 -2.430 452 HD11 LEU 64 HD11 LEU 64 -6.474 -0.473 -0.084 453 HD12 LEU 64 HD12 LEU 64 -5.765 -2.052 0.266 454 HD13 LEU 64 HD13 LEU 64 -7.458 -1.934 -0.228 455 HD21 LEU 64 HD21 LEU 64 -4.398 -1.158 -3.088 456 HD22 LEU 64 HD22 LEU 64 -3.966 -1.465 -1.407 457 HD23 LEU 64 HD23 LEU 64 -4.753 0.051 -1.849 458 H ARG 65 HN ARG 65 -5.246 -5.711 -3.058 459 HA ARG 65 HA ARG 65 -2.560 -5.826 -2.248 460 HB2 ARG 65 HB2 ARG 65 -4.210 -7.453 -1.492 461 HB3 ARG 65 HB1 ARG 65 -4.437 -8.037 -3.138 462 HG2 ARG 65 HG2 ARG 65 -1.739 -8.181 -1.835 463 HG3 ARG 65 HG1 ARG 65 -2.974 -9.382 -1.462 464 HD2 ARG 65 HD2 ARG 65 -3.123 -10.012 -3.786 465 HD3 ARG 65 HD1 ARG 65 -2.018 -8.717 -4.245 466 HE ARG 65 HE ARG 65 -0.822 -10.471 -2.350 467 HH11 ARG 65 HH11 ARG 65 -1.693 -10.243 -5.735 468 HH12 ARG 65 HH12 ARG 65 -0.414 -11.286 -6.263 469 HH21 ARG 65 HH21 ARG 65 0.835 -11.859 -3.037 470 HH22 ARG 65 HH22 ARG 65 1.033 -12.207 -4.726 471 H ASN 66 HN ASN 66 -4.171 -6.779 -5.194 472 HA ASN 66 HA ASN 66 -2.002 -7.775 -6.604 473 HB2 ASN 66 HB2 ASN 66 -4.681 -6.686 -7.334 474 HB3 ASN 66 HB1 ASN 66 -3.534 -7.029 -8.620 475 HD21 ASN 66 HD21 ASN 66 -6.105 -8.332 -7.794 476 HD22 ASN 66 HD22 ASN 66 -5.703 -10.001 -7.613 477 H THR 67 HN THR 67 -3.105 -4.414 -6.265 478 HA THR 67 HA THR 67 -1.095 -3.438 -8.057 479 HB THR 67 HB THR 67 -2.516 -1.939 -5.864 480 HG1 THR 67 HG1 THR 67 -4.117 -2.620 -7.200 481 HG21 THR 67 HG21 THR 67 -1.087 -0.975 -8.343 482 HG22 THR 67 HG22 THR 67 -0.556 -0.745 -6.675 483 HG23 THR 67 HG23 THR 67 -2.024 0.048 -7.253 484 H LEU 68 HN LEU 68 -1.405 -3.332 -4.517 485 HA LEU 68 HA LEU 68 0.962 -2.087 -3.876 486 HB2 LEU 68 HB2 LEU 68 -0.161 -4.425 -2.343 487 HB3 LEU 68 HB1 LEU 68 0.787 -3.103 -1.707 488 HG LEU 68 HG LEU 68 -1.921 -2.654 -2.903 489 HD11 LEU 68 HD11 LEU 68 -1.315 -3.168 -0.004 490 HD12 LEU 68 HD12 LEU 68 -1.947 -4.392 -1.100 491 HD13 LEU 68 HD13 LEU 68 -2.892 -2.948 -0.759 492 HD21 LEU 68 HD21 LEU 68 -1.867 -0.664 -1.513 493 HD22 LEU 68 HD22 LEU 68 -0.451 -0.709 -2.562 494 HD23 LEU 68 HD23 LEU 68 -0.300 -1.140 -0.859 495 H THR 69 HN THR 69 0.441 -5.612 -3.983 496 HA THR 69 HA THR 69 2.988 -6.425 -3.440 497 HB THR 69 HB THR 69 0.602 -7.535 -4.761 498 HG1 THR 69 HG1 THR 69 2.477 -8.722 -2.979 499 HG21 THR 69 HG21 THR 69 1.692 -9.531 -5.632 500 HG22 THR 69 HG22 THR 69 3.273 -8.843 -5.259 501 HG23 THR 69 HG23 THR 69 2.242 -8.077 -6.474 502 H HIS 70 HN HIS 70 1.629 -5.327 -6.474 503 HA HIS 70 HA HIS 70 3.886 -6.036 -8.070 504 HB2 HIS 70 HB2 HIS 70 1.577 -5.768 -8.981 505 HB3 HIS 70 HB1 HIS 70 1.649 -4.074 -8.586 506 HD1 HIS 70 HD1 HIS 70 2.516 -6.474 -11.222 507 HD2 HIS 70 HD2 HIS 70 3.521 -2.575 -10.200 508 HE1 HIS 70 HE1 HIS 70 3.528 -5.472 -13.295 509 HE2 HIS 70 HE2 HIS 70 4.232 -3.147 -12.619 510 H ASN 71 HN ASN 71 2.785 -3.200 -6.347 511 HA ASN 71 HA ASN 71 4.743 -1.405 -7.355 512 HB2 ASN 71 HB2 ASN 71 3.372 -1.184 -4.677 513 HB3 ASN 71 HB1 ASN 71 4.021 0.117 -5.663 514 HD21 ASN 71 HD21 ASN 71 2.842 -1.122 -8.088 515 HD22 ASN 71 HD22 ASN 71 1.169 -0.722 -8.032 516 H THR 72 HN THR 72 4.677 -3.668 -4.692 517 HA THR 72 HA THR 72 7.070 -2.421 -3.539 518 HB THR 72 HB THR 72 6.303 -3.329 -1.392 519 HG1 THR 72 HG1 THR 72 3.880 -4.055 -2.685 520 HG21 THR 72 HG21 THR 72 4.746 -1.666 -1.014 521 HG22 THR 72 HG22 THR 72 3.873 -2.009 -2.506 522 HG23 THR 72 HG23 THR 72 5.393 -1.113 -2.564 523 H GLY 73 HN GLY 73 5.847 -5.247 -5.009 524 HA2 GLY 73 HA2 GLY 73 7.242 -6.920 -5.841 525 HA3 GLY 73 HA1 GLY 73 8.531 -6.264 -4.857 526 H LEU 74 HN LEU 74 5.808 -6.662 -3.019 527 HA LEU 74 HA LEU 74 7.090 -8.865 -1.656 528 HB2 LEU 74 HB2 LEU 74 5.825 -6.570 -0.826 529 HB3 LEU 74 HB1 LEU 74 4.620 -7.800 -0.516 530 HG LEU 74 HG LEU 74 6.358 -9.078 0.755 531 HD11 LEU 74 HD11 LEU 74 7.915 -6.518 0.429 532 HD12 LEU 74 HD12 LEU 74 8.280 -8.044 -0.377 533 HD13 LEU 74 HD13 LEU 74 8.396 -7.925 1.386 534 HD21 LEU 74 HD21 LEU 74 4.681 -7.573 1.818 535 HD22 LEU 74 HD22 LEU 74 5.889 -6.288 1.782 536 HD23 LEU 74 HD23 LEU 74 6.180 -7.746 2.729 537 H ASP 75 HN ASP 75 6.510 -10.811 -1.707 538 HA ASP 75 HA ASP 75 4.190 -11.586 -3.284 539 HB2 ASP 75 HB2 ASP 75 6.424 -12.521 -3.755 540 HB3 ASP 75 HB1 ASP 75 6.441 -13.210 -2.142 541 H LEU 76 HN LEU 76 3.000 -10.681 -1.316 542 HA LEU 76 HA LEU 76 2.497 -12.897 0.552 543 HB2 LEU 76 HB2 LEU 76 2.183 -9.929 0.966 544 HB3 LEU 76 HB1 LEU 76 1.566 -11.133 2.082 545 HG LEU 76 HG LEU 76 4.468 -10.674 1.380 546 HD11 LEU 76 HD11 LEU 76 4.673 -9.984 3.704 547 HD12 LEU 76 HD12 LEU 76 2.942 -10.225 3.936 548 HD13 LEU 76 HD13 LEU 76 3.518 -8.969 2.841 549 HD21 LEU 76 HD21 LEU 76 4.087 -13.033 1.754 550 HD22 LEU 76 HD22 LEU 76 3.199 -12.685 3.237 551 HD23 LEU 76 HD23 LEU 76 4.925 -12.339 3.141 552 HA PRO 77 HA PRO 77 -1.583 -13.268 -1.062 553 HB2 PRO 77 HB2 PRO 77 -2.770 -14.466 1.056 554 HB3 PRO 77 HB1 PRO 77 -1.584 -15.295 0.043 555 HG2 PRO 77 HG2 PRO 77 -1.205 -13.947 2.689 556 HG3 PRO 77 HG1 PRO 77 -0.610 -15.528 2.149 557 HD2 PRO 77 HD2 PRO 77 0.951 -13.332 2.167 558 HD3 PRO 77 HD1 PRO 77 1.119 -14.606 0.942 559 HA PRO 78 HA PRO 78 -4.651 -10.279 0.478 560 HB2 PRO 78 HB2 PRO 78 -6.655 -11.950 1.483 561 HB3 PRO 78 HB1 PRO 78 -6.530 -11.360 -0.172 562 HG2 PRO 78 HG2 PRO 78 -5.661 -13.973 0.976 563 HG3 PRO 78 HG1 PRO 78 -6.420 -13.632 -0.591 564 HD2 PRO 78 HD2 PRO 78 -3.822 -14.126 -0.453 565 HD3 PRO 78 HD1 PRO 78 -4.428 -12.841 -1.515 566 H THR 79 HN THR 79 -6.485 -10.510 2.571 567 HA THR 79 HA THR 79 -6.756 -10.051 4.709 568 HB THR 79 HB THR 79 -5.672 -11.325 6.459 569 HG1 THR 79 HG1 THR 79 -3.809 -11.866 4.464 570 HG21 THR 79 HG21 THR 79 -6.406 -13.021 4.079 571 HG22 THR 79 HG22 THR 79 -7.525 -12.341 5.260 572 HG23 THR 79 HG23 THR 79 -6.358 -13.569 5.755 573 H LEU 80 HN LEU 80 -4.379 -8.861 3.030 574 HA LEU 80 HA LEU 80 -2.706 -7.662 4.987 575 HB2 LEU 80 HB2 LEU 80 -3.378 -6.707 2.199 576 HB3 LEU 80 HB1 LEU 80 -2.059 -6.115 3.188 577 HG LEU 80 HG LEU 80 -2.317 -8.911 2.077 578 HD11 LEU 80 HD11 LEU 80 -1.790 -7.252 0.375 579 HD12 LEU 80 HD12 LEU 80 -0.400 -8.286 0.700 580 HD13 LEU 80 HD13 LEU 80 -0.455 -6.652 1.359 581 HD21 LEU 80 HD21 LEU 80 -0.031 -9.218 2.931 582 HD22 LEU 80 HD22 LEU 80 -1.196 -8.944 4.225 583 HD23 LEU 80 HD23 LEU 80 -0.125 -7.640 3.713 584 H ILE 81 HN ILE 81 -5.678 -6.694 3.371 585 HA ILE 81 HA ILE 81 -5.822 -4.110 4.594 586 HB ILE 81 HB ILE 81 -8.149 -5.704 3.497 587 HG12 ILE 81 HG12 ILE 81 -6.543 -5.665 1.738 588 HG13 ILE 81 HG11 ILE 81 -7.688 -4.384 1.406 589 HG21 ILE 81 HG21 ILE 81 -7.723 -2.739 3.456 590 HG22 ILE 81 HG22 ILE 81 -8.554 -3.556 4.786 591 HG23 ILE 81 HG23 ILE 81 -9.210 -3.632 3.148 592 HD11 ILE 81 HD11 ILE 81 -5.320 -3.792 1.030 593 HD12 ILE 81 HD12 ILE 81 -5.059 -3.958 2.772 594 HD13 ILE 81 HD13 ILE 81 -6.175 -2.738 2.156 595 H PHE 82 HN PHE 82 -6.949 -7.293 5.352 596 HA PHE 82 HA PHE 82 -8.604 -6.669 7.515 597 HB2 PHE 82 HB2 PHE 82 -7.070 -9.179 6.834 598 HB3 PHE 82 HB1 PHE 82 -8.312 -9.075 8.073 599 HD1 PHE 82 HD1 PHE 82 -10.472 -9.593 7.536 600 HD2 PHE 82 HD2 PHE 82 -7.828 -8.373 4.425 601 HE1 PHE 82 HE1 PHE 82 -12.215 -10.056 5.871 602 HE2 PHE 82 HE2 PHE 82 -9.570 -8.842 2.759 603 HZ PHE 82 HZ PHE 82 -11.767 -9.681 3.479 604 H ASP 83 HN ASP 83 -5.139 -7.370 7.318 605 HA ASP 83 HA ASP 83 -4.829 -7.140 10.195 606 HB2 ASP 83 HB2 ASP 83 -3.452 -8.718 8.824 607 HB3 ASP 83 HB1 ASP 83 -2.687 -7.329 8.073 608 H HIS 84 HN HIS 84 -4.488 -5.173 7.359 609 HA HIS 84 HA HIS 84 -3.691 -2.899 9.046 610 HB2 HIS 84 HB2 HIS 84 -2.578 -3.654 6.350 611 HB3 HIS 84 HB1 HIS 84 -2.366 -2.064 7.056 612 HD1 HIS 84 HD1 HIS 84 -0.713 -1.884 9.079 613 HD2 HIS 84 HD2 HIS 84 -1.076 -5.709 7.488 614 HE1 HIS 84 HE1 HIS 84 1.185 -3.204 10.052 615 HE2 HIS 84 HE2 HIS 84 0.821 -5.555 9.234 616 HA PRO 85 HA PRO 85 -7.507 -2.104 6.820 617 HB2 PRO 85 HB2 PRO 85 -8.851 -0.884 8.763 618 HB3 PRO 85 HB1 PRO 85 -8.485 -2.612 8.854 619 HG2 PRO 85 HG2 PRO 85 -7.123 -0.314 10.206 620 HG3 PRO 85 HG1 PRO 85 -7.548 -1.906 10.862 621 HD2 PRO 85 HD2 PRO 85 -5.044 -1.192 9.912 622 HD3 PRO 85 HD1 PRO 85 -5.635 -2.858 10.069 623 H THR 86 HN THR 86 -5.112 0.186 7.452 624 HA THR 86 HA THR 86 -6.802 2.186 6.140 625 HB THR 86 HB THR 86 -5.642 3.989 7.306 626 HG1 THR 86 HG1 THR 86 -4.502 2.959 9.353 627 HG21 THR 86 HG21 THR 86 -6.862 1.956 9.173 628 HG22 THR 86 HG22 THR 86 -7.713 3.230 8.300 629 HG23 THR 86 HG23 THR 86 -6.571 3.647 9.576 630 HA PRO 87 HA PRO 87 -3.610 2.445 3.033 631 HB2 PRO 87 HB2 PRO 87 -3.722 5.390 3.296 632 HB3 PRO 87 HB1 PRO 87 -3.884 4.380 1.861 633 HG2 PRO 87 HG2 PRO 87 -6.020 5.539 2.978 634 HG3 PRO 87 HG1 PRO 87 -6.109 3.924 2.254 635 HD2 PRO 87 HD2 PRO 87 -6.038 4.711 5.131 636 HD3 PRO 87 HD1 PRO 87 -6.891 3.368 4.343 637 H HIS 88 HN HIS 88 -3.371 4.516 5.859 638 HA HIS 88 HA HIS 88 -0.563 4.813 5.900 639 HB2 HIS 88 HB2 HIS 88 -2.143 6.118 7.310 640 HB3 HIS 88 HB1 HIS 88 -2.491 4.665 8.230 641 HD1 HIS 88 HD1 HIS 88 0.710 6.557 7.310 642 HD2 HIS 88 HD2 HIS 88 -1.127 4.669 10.528 643 HE1 HIS 88 HE1 HIS 88 2.278 6.849 9.247 644 HE2 HIS 88 HE2 HIS 88 1.050 5.882 11.222 645 H ALA 89 HN ALA 89 -2.704 2.479 7.511 646 HA ALA 89 HA ALA 89 -0.784 0.904 8.751 647 HB1 ALA 89 HB1 ALA 89 -3.451 0.073 7.633 648 HB2 ALA 89 HB2 ALA 89 -3.151 0.740 9.243 649 HB3 ALA 89 HB3 ALA 89 -2.494 -0.841 8.802 650 H LEU 90 HN LEU 90 -2.410 0.170 5.620 651 HA LEU 90 HA LEU 90 -0.959 -2.038 4.894 652 HB2 LEU 90 HB2 LEU 90 -2.747 -0.326 3.665 653 HB3 LEU 90 HB1 LEU 90 -1.318 -0.194 2.687 654 HG LEU 90 HG LEU 90 -1.319 -2.539 2.210 655 HD11 LEU 90 HD11 LEU 90 -3.707 -2.695 4.041 656 HD12 LEU 90 HD12 LEU 90 -2.110 -3.375 4.352 657 HD13 LEU 90 HD13 LEU 90 -3.093 -4.006 3.036 658 HD21 LEU 90 HD21 LEU 90 -3.454 -2.708 1.021 659 HD22 LEU 90 HD22 LEU 90 -2.699 -1.128 0.809 660 HD23 LEU 90 HD23 LEU 90 -4.055 -1.319 1.924 661 H THR 91 HN THR 91 -0.188 1.336 4.385 662 HA THR 91 HA THR 91 2.140 0.989 2.945 663 HB THR 91 HB THR 91 1.141 3.170 4.765 664 HG1 THR 91 HG1 THR 91 0.158 3.327 2.856 665 HG21 THR 91 HG21 THR 91 3.047 4.569 3.799 666 HG22 THR 91 HG22 THR 91 3.825 3.025 3.438 667 HG23 THR 91 HG23 THR 91 3.433 3.446 5.102 668 H GLN 92 HN GLN 92 1.614 1.319 6.425 669 HA GLN 92 HA GLN 92 4.235 1.189 7.320 670 HB2 GLN 92 HB2 GLN 92 1.694 0.187 8.603 671 HB3 GLN 92 HB1 GLN 92 3.219 0.357 9.452 672 HG2 GLN 92 HG2 GLN 92 3.095 2.817 8.601 673 HG3 GLN 92 HG1 GLN 92 1.380 2.453 8.421 674 HE21 GLN 92 HE21 GLN 92 0.164 1.931 10.278 675 HE22 GLN 92 HE22 GLN 92 0.694 2.410 11.852 676 H HIS 93 HN HIS 93 2.052 -1.349 6.342 677 HA HIS 93 HA HIS 93 3.526 -3.568 7.235 678 HB2 HIS 93 HB2 HIS 93 1.259 -3.889 6.579 679 HB3 HIS 93 HB1 HIS 93 1.542 -3.191 4.992 680 HD1 HIS 93 HD1 HIS 93 2.608 -6.272 6.973 681 HD2 HIS 93 HD2 HIS 93 1.929 -5.030 3.055 682 HE1 HIS 93 HE1 HIS 93 2.834 -8.333 5.558 683 HE2 HIS 93 HE2 HIS 93 2.223 -7.595 3.233 684 H LEU 94 HN LEU 94 3.463 -2.043 3.989 685 HA LEU 94 HA LEU 94 5.573 -3.759 3.041 686 HB2 LEU 94 HB2 LEU 94 4.373 -1.255 1.840 687 HB3 LEU 94 HB1 LEU 94 5.399 -2.405 1.003 688 HG LEU 94 HG LEU 94 2.786 -3.234 2.240 689 HD11 LEU 94 HD11 LEU 94 1.614 -2.838 0.283 690 HD12 LEU 94 HD12 LEU 94 3.077 -2.543 -0.658 691 HD13 LEU 94 HD13 LEU 94 2.540 -1.356 0.548 692 HD21 LEU 94 HD21 LEU 94 4.406 -4.392 -0.043 693 HD22 LEU 94 HD22 LEU 94 2.940 -5.078 0.666 694 HD23 LEU 94 HD23 LEU 94 4.418 -4.989 1.621 695 H HIS 95 HN HIS 95 5.420 -0.716 4.654 696 HA HIS 95 HA HIS 95 7.976 0.293 3.773 697 HB2 HIS 95 HB2 HIS 95 6.148 1.778 4.579 698 HB3 HIS 95 HB1 HIS 95 6.281 1.054 6.174 699 HD1 HIS 95 HD1 HIS 95 8.331 1.737 7.619 700 HD2 HIS 95 HD2 HIS 95 8.073 3.700 3.959 701 HE1 HIS 95 HE1 HIS 95 9.921 3.673 7.775 702 HE2 HIS 95 HE2 HIS 95 9.521 4.986 5.671 703 H THR 96 HN THR 96 6.759 -1.797 6.274 704 HA THR 96 HA THR 96 9.233 -1.765 7.772 705 HB THR 96 HB THR 96 6.472 -2.607 8.196 706 HG1 THR 96 HG1 THR 96 7.220 -2.292 10.427 707 HG21 THR 96 HG21 THR 96 7.384 -4.845 8.036 708 HG22 THR 96 HG22 THR 96 6.936 -4.476 9.703 709 HG23 THR 96 HG23 THR 96 8.633 -4.447 9.218 710 H ARG 97 HN ARG 97 7.441 -3.758 5.503 711 HA ARG 97 HA ARG 97 9.083 -6.043 5.756 712 HB2 ARG 97 HB2 ARG 97 7.059 -5.152 3.744 713 HB3 ARG 97 HB1 ARG 97 8.009 -6.607 3.478 714 HG2 ARG 97 HG2 ARG 97 6.389 -6.100 5.939 715 HG3 ARG 97 HG1 ARG 97 5.787 -6.996 4.542 716 HD2 ARG 97 HD2 ARG 97 7.700 -8.549 4.801 717 HD3 ARG 97 HD1 ARG 97 8.162 -7.696 6.266 718 HE ARG 97 HE ARG 97 5.466 -8.618 6.373 719 HH11 ARG 97 HH11 ARG 97 8.802 -9.596 6.769 720 HH12 ARG 97 HH12 ARG 97 8.419 -10.926 7.819 721 HH21 ARG 97 HH21 ARG 97 4.956 -10.369 7.739 722 HH22 ARG 97 HH22 ARG 97 6.230 -11.363 8.370 723 H LEU 98 HN LEU 98 9.448 -3.110 4.016 724 HA LEU 98 HA LEU 98 11.235 -3.802 2.046 725 HB2 LEU 98 HB2 LEU 98 10.795 -1.404 3.641 726 HB3 LEU 98 HB1 LEU 98 12.420 -1.545 3.032 727 HG LEU 98 HG LEU 98 11.672 -0.569 1.175 728 HD11 LEU 98 HD11 LEU 98 10.657 -1.949 -0.503 729 HD12 LEU 98 HD12 LEU 98 10.070 -3.079 0.718 730 HD13 LEU 98 HD13 LEU 98 11.806 -2.925 0.414 731 HD21 LEU 98 HD21 LEU 98 8.879 -1.312 1.972 732 HD22 LEU 98 HD22 LEU 98 9.340 -0.193 0.686 733 HD23 LEU 98 HD23 LEU 98 9.705 0.194 2.368 734 H THR 99 HN THR 99 11.811 -3.593 5.489 735 HA THR 99 HA THR 99 14.596 -4.339 5.151 736 HB THR 99 HB THR 99 14.664 -3.962 7.604 737 HG1 THR 99 HG1 THR 99 12.793 -2.964 8.547 738 HG21 THR 99 HG21 THR 99 13.452 -1.720 6.001 739 HG22 THR 99 HG22 THR 99 15.172 -2.119 6.096 740 HG23 THR 99 HG23 THR 99 14.323 -1.532 7.527 741 H GLN 100 HN GLN 100 11.731 -5.333 6.942 742 HA GLN 100 HA GLN 100 12.889 -7.830 7.757 743 HB2 GLN 100 HB2 GLN 100 10.046 -6.913 8.071 744 HB3 GLN 100 HB1 GLN 100 10.917 -8.062 9.049 745 HG2 GLN 100 HG2 GLN 100 11.717 -5.236 8.837 746 HG3 GLN 100 HG1 GLN 100 10.591 -5.795 10.054 747 HE21 GLN 100 HE21 GLN 100 13.879 -5.761 8.977 748 HE22 GLN 100 HE22 GLN 100 14.577 -6.431 10.409 749 H SER 101 HN SER 101 13.197 -8.603 5.478 750 HA SER 101 HA SER 101 11.090 -10.448 4.853 751 HB2 SER 101 HB2 SER 101 10.872 -9.693 2.475 752 HB3 SER 101 HB1 SER 101 10.215 -8.554 3.653 753 HG SER 101 HG SER 101 11.581 -7.127 2.978 754 H HIS 102 HN HIS 102 11.813 -11.421 2.472 755 HA HIS 102 HA HIS 102 14.682 -11.937 2.699 756 HB2 HIS 102 HB2 HIS 102 14.261 -14.321 2.078 757 HB3 HIS 102 HB1 HIS 102 13.677 -13.875 3.662 758 HD1 HIS 102 HD1 HIS 102 12.676 -15.842 0.945 759 HD2 HIS 102 HD2 HIS 102 10.749 -13.031 3.311 760 HE1 HIS 102 HE1 HIS 102 10.221 -16.346 0.721 761 HE2 HIS 102 HE2 HIS 102 9.082 -14.737 2.291 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 8.980 -4.627 -18.490 2 H2 GLY 1 HT2 GLY 1 7.978 -3.594 -17.608 3 H3 GLY 1 HT3 GLY 1 7.305 -4.829 -18.540 4 HA2 GLY 1 HA1 GLY 1 7.277 -5.409 -16.200 5 HA3 GLY 1 HA2 GLY 1 8.284 -6.503 -17.135 6 H ALA 2 HN ALA 2 8.595 -6.311 -14.428 7 HA ALA 2 HA ALA 2 11.306 -5.245 -14.248 8 HB1 ALA 2 HB1 ALA 2 10.867 -4.176 -12.096 9 HB2 ALA 2 HB2 ALA 2 9.161 -4.599 -12.226 10 HB3 ALA 2 HB3 ALA 2 9.876 -3.461 -13.368 11 H ALA 3 HN ALA 3 12.626 -6.425 -12.903 12 HA ALA 3 HA ALA 3 11.682 -9.072 -12.277 13 HB1 ALA 3 HB1 ALA 3 14.397 -7.858 -11.792 14 HB2 ALA 3 HB2 ALA 3 13.898 -8.671 -13.274 15 HB3 ALA 3 HB3 ALA 3 13.989 -9.573 -11.761 16 H SER 4 HN SER 4 11.465 -6.251 -10.659 17 HA SER 4 HA SER 4 10.587 -7.184 -8.251 18 HB2 SER 4 HB2 SER 4 12.810 -8.057 -7.754 19 HB3 SER 4 HB1 SER 4 13.530 -6.486 -8.100 20 HG SER 4 HG SER 4 12.266 -7.377 -5.837 21 H ALA 5 HN ALA 5 9.236 -5.496 -7.972 22 HA ALA 5 HA ALA 5 10.259 -2.801 -8.337 23 HB1 ALA 5 HB1 ALA 5 7.968 -2.079 -7.940 24 HB2 ALA 5 HB2 ALA 5 7.506 -3.730 -7.526 25 HB3 ALA 5 HB3 ALA 5 8.022 -3.343 -9.168 26 H ALA 6 HN ALA 6 10.604 -4.970 -5.970 27 HA ALA 6 HA ALA 6 10.029 -3.282 -3.685 28 HB1 ALA 6 HB1 ALA 6 9.869 -5.655 -3.364 29 HB2 ALA 6 HB2 ALA 6 11.248 -5.069 -2.430 30 HB3 ALA 6 HB3 ALA 6 11.511 -5.899 -3.968 31 H THR 7 HN THR 7 12.517 -3.888 -5.901 32 HA THR 7 HA THR 7 14.487 -2.473 -4.289 33 HB THR 7 HB THR 7 15.259 -4.546 -5.308 34 HG1 THR 7 HG1 THR 7 16.453 -2.209 -5.499 35 HG21 THR 7 HG21 THR 7 15.498 -4.772 -7.733 36 HG22 THR 7 HG22 THR 7 14.690 -3.221 -7.957 37 HG23 THR 7 HG23 THR 7 13.804 -4.586 -7.275 38 H ASP 8 HN ASP 8 12.044 -1.836 -6.415 39 HA ASP 8 HA ASP 8 13.300 0.592 -7.442 40 HB2 ASP 8 HB2 ASP 8 11.109 -1.099 -8.328 41 HB3 ASP 8 HB1 ASP 8 10.636 0.590 -8.187 42 H LEU 9 HN LEU 9 10.874 -0.726 -5.353 43 HA LEU 9 HA LEU 9 9.550 1.699 -4.770 44 HB2 LEU 9 HB2 LEU 9 8.441 -0.339 -4.248 45 HB3 LEU 9 HB1 LEU 9 9.775 -0.894 -3.262 46 HG LEU 9 HG LEU 9 9.363 1.090 -1.772 47 HD11 LEU 9 HD11 LEU 9 8.072 2.388 -3.392 48 HD12 LEU 9 HD12 LEU 9 7.202 2.151 -1.863 49 HD13 LEU 9 HD13 LEU 9 6.761 1.192 -3.279 50 HD21 LEU 9 HD21 LEU 9 7.168 -0.946 -1.969 51 HD22 LEU 9 HD22 LEU 9 7.649 -0.044 -0.537 52 HD23 LEU 9 HD23 LEU 9 8.747 -1.220 -1.251 53 H ALA 10 HN ALA 10 11.753 -0.305 -2.934 54 HA ALA 10 HA ALA 10 12.426 1.598 -0.959 55 HB1 ALA 10 HB1 ALA 10 14.394 0.153 -0.545 56 HB2 ALA 10 HB2 ALA 10 13.998 -0.758 -2.006 57 HB3 ALA 10 HB3 ALA 10 12.877 -0.744 -0.640 58 H ALA 11 HN ALA 11 13.013 1.777 -4.218 59 HA ALA 11 HA ALA 11 15.553 3.140 -4.072 60 HB1 ALA 11 HB1 ALA 11 15.134 3.626 -6.456 61 HB2 ALA 11 HB2 ALA 11 13.561 2.831 -6.307 62 HB3 ALA 11 HB3 ALA 11 15.047 1.907 -6.074 63 H ARG 12 HN ARG 12 12.062 3.948 -4.444 64 HA ARG 12 HA ARG 12 12.344 6.742 -4.474 65 HB2 ARG 12 HB2 ARG 12 10.220 4.817 -3.630 66 HB3 ARG 12 HB1 ARG 12 10.008 6.515 -3.282 67 HG2 ARG 12 HG2 ARG 12 8.847 6.237 -5.232 68 HG3 ARG 12 HG1 ARG 12 10.413 6.804 -5.806 69 HD2 ARG 12 HD2 ARG 12 10.103 3.904 -5.504 70 HD3 ARG 12 HD1 ARG 12 9.149 4.653 -6.787 71 HE ARG 12 HE ARG 12 11.945 5.396 -6.765 72 HH11 ARG 12 HH11 ARG 12 9.528 3.190 -8.009 73 HH12 ARG 12 HH12 ARG 12 10.497 2.690 -9.358 74 HH21 ARG 12 HH21 ARG 12 13.214 4.747 -8.546 75 HH22 ARG 12 HH22 ARG 12 12.593 3.569 -9.662 76 H LEU 13 HN LEU 13 12.538 4.371 -1.981 77 HA LEU 13 HA LEU 13 11.997 6.222 0.173 78 HB2 LEU 13 HB2 LEU 13 12.502 3.292 -0.027 79 HB3 LEU 13 HB1 LEU 13 12.542 4.087 1.530 80 HG LEU 13 HG LEU 13 10.224 4.694 1.362 81 HD11 LEU 13 HD11 LEU 13 10.388 3.706 -1.440 82 HD12 LEU 13 HD12 LEU 13 9.913 5.305 -0.847 83 HD13 LEU 13 HD13 LEU 13 8.861 3.914 -0.572 84 HD21 LEU 13 HD21 LEU 13 10.619 1.850 0.510 85 HD22 LEU 13 HD22 LEU 13 9.167 2.510 1.263 86 HD23 LEU 13 HD23 LEU 13 10.683 2.464 2.162 87 H ASN 14 HN ASN 14 14.615 4.212 -0.949 88 HA ASN 14 HA ASN 14 16.621 4.953 0.803 89 HB2 ASN 14 HB2 ASN 14 16.414 3.935 -1.956 90 HB3 ASN 14 HB1 ASN 14 17.981 4.639 -1.515 91 HD21 ASN 14 HD21 ASN 14 17.153 1.883 -2.126 92 HD22 ASN 14 HD22 ASN 14 17.604 0.929 -0.761 93 H GLY 15 HN GLY 15 17.679 6.766 1.183 94 HA2 GLY 15 HA2 GLY 15 18.721 8.812 0.592 95 HA3 GLY 15 HA1 GLY 15 17.690 8.900 -0.831 96 H LEU 16 HN LEU 16 15.555 7.969 1.267 97 HA LEU 16 HA LEU 16 14.852 10.713 2.032 98 HB2 LEU 16 HB2 LEU 16 13.247 8.366 1.145 99 HB3 LEU 16 HB1 LEU 16 12.506 9.525 2.218 100 HG LEU 16 HG LEU 16 11.896 10.075 -0.021 101 HD11 LEU 16 HD11 LEU 16 12.586 12.337 -0.090 102 HD12 LEU 16 HD12 LEU 16 14.066 11.970 0.795 103 HD13 LEU 16 HD13 LEU 16 12.501 11.862 1.611 104 HD21 LEU 16 HD21 LEU 16 13.540 10.603 -1.746 105 HD22 LEU 16 HD22 LEU 16 13.709 8.934 -1.203 106 HD23 LEU 16 HD23 LEU 16 14.847 10.162 -0.647 107 H SER 17 HN SER 17 13.582 10.957 3.965 108 HA SER 17 HA SER 17 14.559 9.378 6.178 109 HB2 SER 17 HB2 SER 17 12.647 11.716 6.000 110 HB3 SER 17 HB1 SER 17 13.190 10.994 7.506 111 HG SER 17 HG SER 17 15.299 11.563 5.928 112 HA PRO 18 HA PRO 18 11.533 6.307 6.633 113 HB2 PRO 18 HB2 PRO 18 10.808 7.566 9.253 114 HB3 PRO 18 HB1 PRO 18 11.132 5.868 8.874 115 HG2 PRO 18 HG2 PRO 18 13.013 7.292 10.042 116 HG3 PRO 18 HG1 PRO 18 13.442 6.228 8.689 117 HD2 PRO 18 HD2 PRO 18 13.134 9.194 8.726 118 HD3 PRO 18 HD1 PRO 18 14.318 8.189 7.865 119 H GLN 19 HN GLN 19 10.248 9.392 7.865 120 HA GLN 19 HA GLN 19 7.523 8.873 7.328 121 HB2 GLN 19 HB2 GLN 19 8.391 10.698 8.786 122 HB3 GLN 19 HB1 GLN 19 8.936 11.540 7.345 123 HG2 GLN 19 HG2 GLN 19 6.945 12.585 7.728 124 HG3 GLN 19 HG1 GLN 19 6.460 11.310 6.613 125 HE21 GLN 19 HE21 GLN 19 5.236 9.598 7.361 126 HE22 GLN 19 HE22 GLN 19 4.446 9.622 8.897 127 H GLN 20 HN GLN 20 10.097 10.205 5.318 128 HA GLN 20 HA GLN 20 8.377 11.098 3.200 129 HB2 GLN 20 HB2 GLN 20 11.347 10.558 3.354 130 HB3 GLN 20 HB1 GLN 20 10.558 11.177 1.907 131 HG2 GLN 20 HG2 GLN 20 10.682 12.516 4.589 132 HG3 GLN 20 HG1 GLN 20 11.614 12.954 3.168 133 HE21 GLN 20 HE21 GLN 20 9.394 12.559 1.329 134 HE22 GLN 20 HE22 GLN 20 8.320 13.893 1.579 135 H GLN 21 HN GLN 21 10.538 8.379 3.746 136 HA GLN 21 HA GLN 21 10.083 6.807 1.515 137 HB2 GLN 21 HB2 GLN 21 10.414 5.992 4.412 138 HB3 GLN 21 HB1 GLN 21 10.639 4.918 3.047 139 HG2 GLN 21 HG2 GLN 21 12.526 6.204 2.291 140 HG3 GLN 21 HG1 GLN 21 12.260 7.404 3.561 141 HE21 GLN 21 HE21 GLN 21 14.596 5.769 3.029 142 HE22 GLN 21 HE22 GLN 21 14.887 4.853 4.470 143 H GLN 22 HN GLN 22 8.298 7.065 4.512 144 HA GLN 22 HA GLN 22 6.295 5.196 4.020 145 HB2 GLN 22 HB2 GLN 22 6.804 6.280 6.190 146 HB3 GLN 22 HB1 GLN 22 6.110 7.751 5.565 147 HG2 GLN 22 HG2 GLN 22 4.064 6.101 5.151 148 HG3 GLN 22 HG1 GLN 22 4.856 5.316 6.510 149 HE21 GLN 22 HE21 GLN 22 3.215 8.181 5.448 150 HE22 GLN 22 HE22 GLN 22 2.881 8.805 7.026 151 H GLN 23 HN GLN 23 6.469 8.646 3.297 152 HA GLN 23 HA GLN 23 3.910 9.069 2.360 153 HB2 GLN 23 HB2 GLN 23 6.486 10.316 1.591 154 HB3 GLN 23 HB1 GLN 23 4.927 10.943 1.073 155 HG2 GLN 23 HG2 GLN 23 4.264 11.210 3.400 156 HG3 GLN 23 HG1 GLN 23 5.819 10.604 3.917 157 HE21 GLN 23 HE21 GLN 23 5.378 12.748 1.187 158 HE22 GLN 23 HE22 GLN 23 6.140 14.126 1.906 159 H THR 24 HN THR 24 6.710 7.885 0.570 160 HA THR 24 HA THR 24 5.611 7.930 -2.003 161 HB THR 24 HB THR 24 7.680 6.314 -0.601 162 HG1 THR 24 HG1 THR 24 7.678 8.015 -2.889 163 HG21 THR 24 HG21 THR 24 6.822 5.798 -3.455 164 HG22 THR 24 HG22 THR 24 6.502 4.718 -2.099 165 HG23 THR 24 HG23 THR 24 8.166 5.029 -2.606 166 H LEU 25 HN LEU 25 5.373 5.466 0.545 167 HA LEU 25 HA LEU 25 3.612 3.778 -1.012 168 HB2 LEU 25 HB2 LEU 25 4.088 3.891 1.950 169 HB3 LEU 25 HB1 LEU 25 3.300 2.589 1.089 170 HG LEU 25 HG LEU 25 6.093 3.282 0.338 171 HD11 LEU 25 HD11 LEU 25 6.985 1.937 2.127 172 HD12 LEU 25 HD12 LEU 25 5.364 1.632 2.752 173 HD13 LEU 25 HD13 LEU 25 6.039 3.263 2.809 174 HD21 LEU 25 HD21 LEU 25 4.929 1.603 -0.934 175 HD22 LEU 25 HD22 LEU 25 4.471 0.750 0.538 176 HD23 LEU 25 HD23 LEU 25 6.161 0.819 0.051 177 H ALA 26 HN ALA 26 3.374 6.163 1.534 178 HA ALA 26 HA ALA 26 0.571 6.066 1.876 179 HB1 ALA 26 HB1 ALA 26 2.189 8.521 2.436 180 HB2 ALA 26 HB2 ALA 26 2.513 7.044 3.343 181 HB3 ALA 26 HB3 ALA 26 0.903 7.783 3.402 182 H THR 27 HN THR 27 2.091 6.746 -0.787 183 HA THR 27 HA THR 27 0.094 8.657 -1.740 184 HB THR 27 HB THR 27 3.014 8.345 -2.395 185 HG1 THR 27 HG1 THR 27 2.476 9.922 -0.882 186 HG21 THR 27 HG21 THR 27 1.845 8.230 -4.531 187 HG22 THR 27 HG22 THR 27 2.750 9.740 -4.366 188 HG23 THR 27 HG23 THR 27 0.997 9.733 -4.154 189 H LEU 28 HN LEU 28 2.250 6.012 -2.560 190 HA LEU 28 HA LEU 28 1.027 5.253 -4.956 191 HB2 LEU 28 HB2 LEU 28 3.200 4.553 -4.813 192 HB3 LEU 28 HB1 LEU 28 3.039 4.117 -3.129 193 HG LEU 28 HG LEU 28 1.355 2.351 -4.147 194 HD11 LEU 28 HD11 LEU 28 1.751 3.110 -6.444 195 HD12 LEU 28 HD12 LEU 28 2.133 1.403 -6.198 196 HD13 LEU 28 HD13 LEU 28 3.433 2.599 -6.293 197 HD21 LEU 28 HD21 LEU 28 4.305 2.152 -3.761 198 HD22 LEU 28 HD22 LEU 28 3.310 0.746 -4.155 199 HD23 LEU 28 HD23 LEU 28 2.995 1.667 -2.673 200 H VAL 29 HN VAL 29 0.854 4.069 -1.682 201 HA VAL 29 HA VAL 29 -0.779 1.829 -2.225 202 HB VAL 29 HB VAL 29 -0.223 3.380 0.301 203 HG11 VAL 29 HG11 VAL 29 -1.359 1.667 1.563 204 HG12 VAL 29 HG12 VAL 29 -1.747 0.783 0.086 205 HG13 VAL 29 HG13 VAL 29 -2.482 2.358 0.390 206 HG21 VAL 29 HG21 VAL 29 1.597 2.059 -0.742 207 HG22 VAL 29 HG22 VAL 29 0.608 0.609 -0.550 208 HG23 VAL 29 HG23 VAL 29 1.155 1.496 0.873 209 H ALA 30 HN ALA 30 -1.336 5.154 -1.474 210 HA ALA 30 HA ALA 30 -4.173 4.899 -1.233 211 HB1 ALA 30 HB1 ALA 30 -3.062 6.641 -0.041 212 HB2 ALA 30 HB2 ALA 30 -4.092 7.368 -1.276 213 HB3 ALA 30 HB3 ALA 30 -2.354 7.257 -1.533 214 H ALA 31 HN ALA 31 -1.854 5.736 -3.667 215 HA ALA 31 HA ALA 31 -3.606 6.496 -5.729 216 HB1 ALA 31 HB1 ALA 31 -0.829 5.331 -5.663 217 HB2 ALA 31 HB2 ALA 31 -1.316 6.990 -6.011 218 HB3 ALA 31 HB3 ALA 31 -1.642 5.714 -7.188 219 H ALA 32 HN ALA 32 -2.260 3.456 -4.688 220 HA ALA 32 HA ALA 32 -3.480 1.678 -6.426 221 HB1 ALA 32 HB1 ALA 32 -2.658 1.505 -3.542 222 HB2 ALA 32 HB2 ALA 32 -1.785 0.924 -4.962 223 HB3 ALA 32 HB3 ALA 32 -3.263 0.110 -4.441 224 H THR 33 HN THR 33 -4.665 2.983 -3.302 225 HA THR 33 HA THR 33 -7.156 1.546 -3.564 226 HB THR 33 HB THR 33 -6.595 3.846 -1.681 227 HG1 THR 33 HG1 THR 33 -4.961 2.173 -1.527 228 HG21 THR 33 HG21 THR 33 -8.498 1.507 -1.663 229 HG22 THR 33 HG22 THR 33 -8.897 3.226 -1.688 230 HG23 THR 33 HG23 THR 33 -8.181 2.508 -0.244 231 H ALA 34 HN ALA 34 -5.908 4.592 -4.574 232 HA ALA 34 HA ALA 34 -8.382 5.868 -5.067 233 HB1 ALA 34 HB1 ALA 34 -7.081 7.363 -6.513 234 HB2 ALA 34 HB2 ALA 34 -5.700 6.269 -6.396 235 HB3 ALA 34 HB3 ALA 34 -6.286 7.107 -4.957 236 H THR 35 HN THR 35 -6.536 3.427 -6.639 237 HA THR 35 HA THR 35 -7.896 3.508 -9.149 238 HB THR 35 HB THR 35 -5.819 1.871 -7.833 239 HG1 THR 35 HG1 THR 35 -5.887 2.219 -10.589 240 HG21 THR 35 HG21 THR 35 -7.444 0.691 -10.074 241 HG22 THR 35 HG22 THR 35 -7.540 0.198 -8.382 242 HG23 THR 35 HG23 THR 35 -6.036 -0.026 -9.286 243 H VAL 36 HN VAL 36 -8.017 1.467 -6.237 244 HA VAL 36 HA VAL 36 -9.815 -0.429 -7.216 245 HB VAL 36 HB VAL 36 -10.266 -0.944 -4.813 246 HG11 VAL 36 HG11 VAL 36 -8.559 -2.191 -5.756 247 HG12 VAL 36 HG12 VAL 36 -7.859 -1.524 -4.280 248 HG13 VAL 36 HG13 VAL 36 -7.479 -0.797 -5.844 249 HG21 VAL 36 HG21 VAL 36 -8.770 1.545 -4.462 250 HG22 VAL 36 HG22 VAL 36 -8.493 0.234 -3.316 251 HG23 VAL 36 HG23 VAL 36 -10.116 0.881 -3.537 252 H LEU 37 HN LEU 37 -10.383 2.737 -5.867 253 HA LEU 37 HA LEU 37 -13.260 2.193 -5.731 254 HB2 LEU 37 HB2 LEU 37 -11.848 4.654 -4.777 255 HB3 LEU 37 HB1 LEU 37 -13.412 4.039 -4.279 256 HG LEU 37 HG LEU 37 -10.817 2.632 -3.723 257 HD11 LEU 37 HD11 LEU 37 -12.374 4.459 -1.917 258 HD12 LEU 37 HD12 LEU 37 -10.835 4.834 -2.695 259 HD13 LEU 37 HD13 LEU 37 -10.925 3.543 -1.501 260 HD21 LEU 37 HD21 LEU 37 -12.164 1.448 -2.051 261 HD22 LEU 37 HD22 LEU 37 -12.768 1.206 -3.690 262 HD23 LEU 37 HD23 LEU 37 -13.592 2.324 -2.604 263 H GLY 38 HN GLY 38 -11.154 3.233 -7.962 264 HA2 GLY 38 HA2 GLY 38 -11.281 4.496 -9.860 265 HA3 GLY 38 HA1 GLY 38 -13.021 4.426 -9.653 266 H HIS 39 HN HIS 39 -10.532 5.998 -7.646 267 HA HIS 39 HA HIS 39 -11.931 8.548 -8.125 268 HB2 HIS 39 HB2 HIS 39 -10.412 7.532 -5.755 269 HB3 HIS 39 HB1 HIS 39 -10.580 9.261 -6.016 270 HD1 HIS 39 HD1 HIS 39 -12.812 10.322 -5.436 271 HD2 HIS 39 HD2 HIS 39 -12.863 6.176 -5.182 272 HE1 HIS 39 HE1 HIS 39 -14.950 9.740 -4.248 273 HE2 HIS 39 HE2 HIS 39 -15.037 7.223 -4.267 274 H HIS 40 HN HIS 40 -8.905 6.888 -8.279 275 HA HIS 40 HA HIS 40 -6.935 7.325 -9.282 276 HB2 HIS 40 HB2 HIS 40 -8.162 8.289 -11.152 277 HB3 HIS 40 HB1 HIS 40 -8.267 9.834 -10.315 278 HD1 HIS 40 HD1 HIS 40 -6.769 11.393 -11.525 279 HD2 HIS 40 HD2 HIS 40 -5.032 7.645 -11.036 280 HE1 HIS 40 HE1 HIS 40 -4.457 11.587 -12.490 281 HE2 HIS 40 HE2 HIS 40 -3.365 9.370 -12.000 282 H THR 41 HN THR 41 -8.333 10.027 -7.505 283 HA THR 41 HA THR 41 -5.791 11.216 -6.936 284 HB THR 41 HB THR 41 -7.250 12.400 -5.144 285 HG1 THR 41 HG1 THR 41 -9.503 12.395 -6.320 286 HG21 THR 41 HG21 THR 41 -8.073 13.980 -6.842 287 HG22 THR 41 HG22 THR 41 -7.629 12.823 -8.099 288 HG23 THR 41 HG23 THR 41 -6.381 13.537 -7.073 289 HA PRO 42 HA PRO 42 -5.014 8.662 -3.288 290 HB2 PRO 42 HB2 PRO 42 -2.516 10.143 -3.139 291 HB3 PRO 42 HB1 PRO 42 -2.761 8.428 -3.466 292 HG2 PRO 42 HG2 PRO 42 -1.860 10.176 -5.346 293 HG3 PRO 42 HG1 PRO 42 -2.809 8.729 -5.736 294 HD2 PRO 42 HD2 PRO 42 -3.715 11.579 -5.522 295 HD3 PRO 42 HD1 PRO 42 -4.158 10.347 -6.720 296 H GLU 43 HN GLU 43 -5.066 12.019 -3.875 297 HA GLU 43 HA GLU 43 -4.817 13.028 -1.253 298 HB2 GLU 43 HB2 GLU 43 -6.259 14.125 -3.660 299 HB3 GLU 43 HB1 GLU 43 -5.906 15.040 -2.201 300 HG2 GLU 43 HG2 GLU 43 -3.554 14.833 -2.600 301 HG3 GLU 43 HG1 GLU 43 -3.866 13.758 -3.959 302 H SER 44 HN SER 44 -7.461 11.819 -3.181 303 HA SER 44 HA SER 44 -9.517 12.490 -1.297 304 HB2 SER 44 HB2 SER 44 -9.880 12.342 -3.773 305 HB3 SER 44 HB1 SER 44 -9.620 10.608 -3.646 306 HG SER 44 HG SER 44 -11.750 12.154 -2.635 307 H ILE 45 HN ILE 45 -7.209 10.081 -1.640 308 HA ILE 45 HA ILE 45 -8.665 8.065 -0.118 309 HB ILE 45 HB ILE 45 -5.839 7.978 -1.163 310 HG12 ILE 45 HG12 ILE 45 -7.365 8.219 -3.021 311 HG13 ILE 45 HG11 ILE 45 -6.766 6.569 -2.966 312 HG21 ILE 45 HG21 ILE 45 -5.965 5.592 -0.834 313 HG22 ILE 45 HG22 ILE 45 -7.634 5.725 -0.279 314 HG23 ILE 45 HG23 ILE 45 -6.325 6.411 0.689 315 HD11 ILE 45 HD11 ILE 45 -9.134 6.677 -3.505 316 HD12 ILE 45 HD12 ILE 45 -9.449 7.472 -1.963 317 HD13 ILE 45 HD13 ILE 45 -8.845 5.815 -1.994 318 H SER 46 HN SER 46 -8.837 9.125 1.873 319 HA SER 46 HA SER 46 -6.596 10.230 3.228 320 HB2 SER 46 HB2 SER 46 -9.285 10.437 3.532 321 HB3 SER 46 HB1 SER 46 -8.893 9.320 4.836 322 HG SER 46 HG SER 46 -7.790 11.896 4.394 323 HA PRO 47 HA PRO 47 -4.836 6.490 4.559 324 HB2 PRO 47 HB2 PRO 47 -2.956 7.408 6.174 325 HB3 PRO 47 HB1 PRO 47 -3.011 7.960 4.501 326 HG2 PRO 47 HG2 PRO 47 -3.840 9.363 6.986 327 HG3 PRO 47 HG1 PRO 47 -3.121 10.025 5.516 328 HD2 PRO 47 HD2 PRO 47 -5.866 9.954 6.217 329 HD3 PRO 47 HD1 PRO 47 -5.179 10.454 4.650 330 H ALA 48 HN ALA 48 -6.734 8.227 6.663 331 HA ALA 48 HA ALA 48 -6.328 6.281 8.796 332 HB1 ALA 48 HB1 ALA 48 -5.332 8.576 9.121 333 HB2 ALA 48 HB2 ALA 48 -6.367 7.960 10.419 334 HB3 ALA 48 HB3 ALA 48 -6.994 9.151 9.278 335 H THR 49 HN THR 49 -8.321 7.151 6.513 336 HA THR 49 HA THR 49 -10.853 7.322 7.813 337 HB THR 49 HB THR 49 -9.905 6.888 5.006 338 HG1 THR 49 HG1 THR 49 -11.716 8.874 5.817 339 HG21 THR 49 HG21 THR 49 -11.852 5.465 5.278 340 HG22 THR 49 HG22 THR 49 -12.195 6.834 4.213 341 HG23 THR 49 HG23 THR 49 -12.783 6.840 5.877 342 H ALA 50 HN ALA 50 -8.952 4.855 6.282 343 HA ALA 50 HA ALA 50 -8.781 2.599 6.799 344 HB1 ALA 50 HB1 ALA 50 -10.667 1.305 7.677 345 HB2 ALA 50 HB2 ALA 50 -11.650 2.773 7.694 346 HB3 ALA 50 HB3 ALA 50 -10.229 2.649 8.735 347 H PHE 51 HN PHE 51 -8.854 1.116 5.355 348 HA PHE 51 HA PHE 51 -9.800 1.516 2.788 349 HB2 PHE 51 HB2 PHE 51 -9.159 -1.009 4.281 350 HB3 PHE 51 HB1 PHE 51 -9.500 -0.974 2.553 351 HD1 PHE 51 HD1 PHE 51 -8.181 1.265 1.526 352 HD2 PHE 51 HD2 PHE 51 -6.956 -1.310 4.664 353 HE1 PHE 51 HE1 PHE 51 -5.844 1.830 1.064 354 HE2 PHE 51 HE2 PHE 51 -4.609 -0.755 4.223 355 HZ PHE 51 HZ PHE 51 -4.053 0.875 2.441 356 H LYS 52 HN LYS 52 -11.274 -0.303 5.431 357 HA LYS 52 HA LYS 52 -13.505 -1.284 4.137 358 HB2 LYS 52 HB2 LYS 52 -13.247 -0.192 6.947 359 HB3 LYS 52 HB1 LYS 52 -14.600 -1.162 6.376 360 HG2 LYS 52 HG2 LYS 52 -12.866 -2.939 5.817 361 HG3 LYS 52 HG1 LYS 52 -11.734 -1.967 6.754 362 HD2 LYS 52 HD2 LYS 52 -14.323 -3.117 7.755 363 HD3 LYS 52 HD1 LYS 52 -12.725 -3.768 8.098 364 HE2 LYS 52 HE2 LYS 52 -13.700 -1.030 8.847 365 HE3 LYS 52 HE1 LYS 52 -13.663 -2.411 9.936 366 HZ1 LYS 52 HZ1 LYS 52 -11.305 -2.467 9.836 367 HZ2 LYS 52 HZ2 LYS 52 -11.744 -0.864 10.154 368 HZ3 LYS 52 HZ3 LYS 52 -11.252 -1.314 8.603 369 H ASP 53 HN ASP 53 -12.906 1.820 5.655 370 HA ASP 53 HA ASP 53 -15.539 2.825 5.210 371 HB2 ASP 53 HB2 ASP 53 -12.979 3.970 6.279 372 HB3 ASP 53 HB1 ASP 53 -14.293 5.055 5.819 373 H LEU 54 HN LEU 54 -12.848 2.430 3.306 374 HA LEU 54 HA LEU 54 -13.267 4.746 1.607 375 HB2 LEU 54 HB2 LEU 54 -11.231 2.566 1.776 376 HB3 LEU 54 HB1 LEU 54 -11.344 3.524 0.321 377 HG LEU 54 HG LEU 54 -10.974 4.748 3.050 378 HD11 LEU 54 HD11 LEU 54 -8.880 3.857 1.088 379 HD12 LEU 54 HD12 LEU 54 -9.111 3.289 2.743 380 HD13 LEU 54 HD13 LEU 54 -8.586 4.945 2.442 381 HD21 LEU 54 HD21 LEU 54 -10.491 5.737 0.253 382 HD22 LEU 54 HD22 LEU 54 -10.102 6.623 1.727 383 HD23 LEU 54 HD23 LEU 54 -11.781 6.247 1.340 384 H GLY 55 HN GLY 55 -14.073 1.389 1.758 385 HA2 GLY 55 HA2 GLY 55 -15.943 0.768 0.276 386 HA3 GLY 55 HA1 GLY 55 -15.056 1.548 -1.028 387 H ILE 56 HN ILE 56 -12.844 0.128 0.903 388 HA ILE 56 HA ILE 56 -12.244 -2.001 -0.861 389 HB ILE 56 HB ILE 56 -11.303 -1.349 1.918 390 HG12 ILE 56 HG12 ILE 56 -10.183 0.143 0.629 391 HG13 ILE 56 HG11 ILE 56 -9.092 -1.218 0.503 392 HG21 ILE 56 HG21 ILE 56 -11.060 -3.603 1.956 393 HG22 ILE 56 HG22 ILE 56 -9.494 -3.065 1.328 394 HG23 ILE 56 HG23 ILE 56 -10.715 -3.704 0.229 395 HD11 ILE 56 HD11 ILE 56 -10.152 -1.828 -1.640 396 HD12 ILE 56 HD12 ILE 56 -9.357 -0.255 -1.645 397 HD13 ILE 56 HD13 ILE 56 -11.112 -0.347 -1.531 398 H ASP 57 HN ASP 57 -13.841 -3.503 -1.089 399 HA ASP 57 HA ASP 57 -14.326 -5.116 1.322 400 HB2 ASP 57 HB2 ASP 57 -16.380 -3.899 0.688 401 HB3 ASP 57 HB1 ASP 57 -16.305 -4.629 -0.912 402 H SER 58 HN SER 58 -12.885 -6.689 0.969 403 HA SER 58 HA SER 58 -12.005 -8.606 0.194 404 HB2 SER 58 HB2 SER 58 -13.560 -10.193 -0.952 405 HB3 SER 58 HB1 SER 58 -14.199 -9.504 0.537 406 HG SER 58 HG SER 58 -15.456 -8.082 -0.716 407 H LEU 59 HN LEU 59 -13.935 -7.965 -2.710 408 HA LEU 59 HA LEU 59 -12.109 -8.786 -4.607 409 HB2 LEU 59 HB2 LEU 59 -14.141 -6.563 -4.766 410 HB3 LEU 59 HB1 LEU 59 -13.343 -7.264 -6.157 411 HG LEU 59 HG LEU 59 -15.197 -8.716 -4.265 412 HD11 LEU 59 HD11 LEU 59 -16.727 -8.724 -6.180 413 HD12 LEU 59 HD12 LEU 59 -15.578 -7.735 -7.084 414 HD13 LEU 59 HD13 LEU 59 -16.348 -7.088 -5.636 415 HD21 LEU 59 HD21 LEU 59 -13.515 -10.215 -5.188 416 HD22 LEU 59 HD22 LEU 59 -13.872 -9.637 -6.815 417 HD23 LEU 59 HD23 LEU 59 -15.092 -10.534 -5.909 418 H THR 60 HN THR 60 -12.644 -5.464 -3.481 419 HA THR 60 HA THR 60 -10.406 -4.534 -5.055 420 HB THR 60 HB THR 60 -11.038 -2.329 -3.810 421 HG1 THR 60 HG1 THR 60 -13.525 -2.674 -3.533 422 HG21 THR 60 HG21 THR 60 -11.344 -2.740 -6.180 423 HG22 THR 60 HG22 THR 60 -12.784 -1.956 -5.521 424 HG23 THR 60 HG23 THR 60 -12.796 -3.693 -5.852 425 H ALA 61 HN ALA 61 -10.878 -5.727 -1.911 426 HA ALA 61 HA ALA 61 -8.516 -4.540 -0.803 427 HB1 ALA 61 HB1 ALA 61 -10.331 -5.549 0.581 428 HB2 ALA 61 HB2 ALA 61 -8.710 -6.133 0.968 429 HB3 ALA 61 HB3 ALA 61 -9.811 -7.139 0.016 430 H LEU 62 HN LEU 62 -9.329 -7.414 -2.668 431 HA LEU 62 HA LEU 62 -6.701 -8.496 -2.646 432 HB2 LEU 62 HB2 LEU 62 -9.084 -9.522 -3.237 433 HB3 LEU 62 HB1 LEU 62 -8.610 -9.023 -4.840 434 HG LEU 62 HG LEU 62 -7.740 -11.075 -5.008 435 HD11 LEU 62 HD11 LEU 62 -5.444 -11.311 -4.332 436 HD12 LEU 62 HD12 LEU 62 -5.619 -10.018 -3.144 437 HD13 LEU 62 HD13 LEU 62 -5.736 -9.654 -4.865 438 HD21 LEU 62 HD21 LEU 62 -7.719 -11.133 -2.008 439 HD22 LEU 62 HD22 LEU 62 -7.169 -12.469 -3.015 440 HD23 LEU 62 HD23 LEU 62 -8.846 -11.932 -3.099 441 H GLU 63 HN GLU 63 -8.590 -6.534 -5.017 442 HA GLU 63 HA GLU 63 -6.542 -6.364 -6.916 443 HB2 GLU 63 HB2 GLU 63 -8.610 -5.771 -7.738 444 HB3 GLU 63 HB1 GLU 63 -9.096 -5.006 -6.235 445 HG2 GLU 63 HG2 GLU 63 -8.957 -3.268 -7.738 446 HG3 GLU 63 HG1 GLU 63 -7.474 -3.209 -6.791 447 H LEU 64 HN LEU 64 -7.341 -4.454 -4.011 448 HA LEU 64 HA LEU 64 -5.341 -2.524 -4.202 449 HB2 LEU 64 HB2 LEU 64 -7.070 -3.486 -2.167 450 HB3 LEU 64 HB1 LEU 64 -5.430 -3.616 -1.542 451 HG LEU 64 HG LEU 64 -6.787 -1.105 -2.513 452 HD11 LEU 64 HD11 LEU 64 -7.388 -1.997 -0.238 453 HD12 LEU 64 HD12 LEU 64 -6.653 -0.391 -0.240 454 HD13 LEU 64 HD13 LEU 64 -5.689 -1.800 0.212 455 HD21 LEU 64 HD21 LEU 64 -4.449 -1.133 -3.188 456 HD22 LEU 64 HD22 LEU 64 -3.974 -1.553 -1.545 457 HD23 LEU 64 HD23 LEU 64 -4.705 0.018 -1.873 458 H ARG 65 HN ARG 65 -5.350 -5.747 -2.983 459 HA ARG 65 HA ARG 65 -2.727 -5.944 -2.041 460 HB2 ARG 65 HB2 ARG 65 -4.416 -7.553 -1.388 461 HB3 ARG 65 HB1 ARG 65 -4.608 -8.094 -3.054 462 HG2 ARG 65 HG2 ARG 65 -1.947 -8.336 -1.696 463 HG3 ARG 65 HG1 ARG 65 -3.220 -9.502 -1.348 464 HD2 ARG 65 HD2 ARG 65 -3.357 -10.116 -3.676 465 HD3 ARG 65 HD1 ARG 65 -2.211 -8.851 -4.114 466 HE ARG 65 HE ARG 65 -0.896 -10.450 -2.292 467 HH11 ARG 65 HH11 ARG 65 -2.394 -10.878 -5.434 468 HH12 ARG 65 HH12 ARG 65 -1.326 -12.160 -5.905 469 HH21 ARG 65 HH21 ARG 65 0.512 -12.128 -2.919 470 HH22 ARG 65 HH22 ARG 65 0.330 -12.873 -4.475 471 H ASN 66 HN ASN 66 -4.153 -6.920 -5.068 472 HA ASN 66 HA ASN 66 -1.906 -7.924 -6.342 473 HB2 ASN 66 HB2 ASN 66 -4.527 -6.808 -7.254 474 HB3 ASN 66 HB1 ASN 66 -3.320 -7.256 -8.445 475 HD21 ASN 66 HD21 ASN 66 -5.950 -8.417 -7.858 476 HD22 ASN 66 HD22 ASN 66 -5.663 -10.088 -7.524 477 H THR 67 HN THR 67 -3.091 -4.573 -6.169 478 HA THR 67 HA THR 67 -1.066 -3.588 -7.936 479 HB THR 67 HB THR 67 -2.752 -2.127 -5.915 480 HG1 THR 67 HG1 THR 67 -4.034 -2.957 -7.563 481 HG21 THR 67 HG21 THR 67 -2.135 -0.087 -7.131 482 HG22 THR 67 HG22 THR 67 -1.048 -1.029 -8.150 483 HG23 THR 67 HG23 THR 67 -0.716 -0.864 -6.424 484 H LEU 68 HN LEU 68 -1.486 -3.525 -4.415 485 HA LEU 68 HA LEU 68 0.774 -2.124 -3.678 486 HB2 LEU 68 HB2 LEU 68 -0.307 -4.552 -2.254 487 HB3 LEU 68 HB1 LEU 68 0.639 -3.266 -1.545 488 HG LEU 68 HG LEU 68 -2.063 -2.768 -2.738 489 HD11 LEU 68 HD11 LEU 68 -2.023 -4.564 -0.949 490 HD12 LEU 68 HD12 LEU 68 -3.064 -3.178 -0.661 491 HD13 LEU 68 HD13 LEU 68 -1.509 -3.298 0.163 492 HD21 LEU 68 HD21 LEU 68 -2.006 -0.814 -1.298 493 HD22 LEU 68 HD22 LEU 68 -0.589 -0.834 -2.347 494 HD23 LEU 68 HD23 LEU 68 -0.441 -1.307 -0.655 495 H THR 69 HN THR 69 0.441 -5.655 -3.833 496 HA THR 69 HA THR 69 3.079 -6.190 -3.083 497 HB THR 69 HB THR 69 0.951 -7.718 -3.144 498 HG1 THR 69 HG1 THR 69 3.475 -8.851 -3.840 499 HG21 THR 69 HG21 THR 69 0.919 -9.306 -5.007 500 HG22 THR 69 HG22 THR 69 2.196 -8.392 -5.810 501 HG23 THR 69 HG23 THR 69 0.611 -7.660 -5.565 502 H HIS 70 HN HIS 70 1.693 -5.323 -6.131 503 HA HIS 70 HA HIS 70 3.853 -6.221 -7.763 504 HB2 HIS 70 HB2 HIS 70 1.591 -5.838 -8.682 505 HB3 HIS 70 HB1 HIS 70 1.716 -4.135 -8.276 506 HD1 HIS 70 HD1 HIS 70 2.810 -6.646 -10.806 507 HD2 HIS 70 HD2 HIS 70 3.335 -2.605 -10.000 508 HE1 HIS 70 HE1 HIS 70 3.808 -5.666 -12.893 509 HE2 HIS 70 HE2 HIS 70 4.009 -3.199 -12.423 510 H ASN 71 HN ASN 71 2.932 -3.120 -6.320 511 HA ASN 71 HA ASN 71 5.113 -1.723 -7.559 512 HB2 ASN 71 HB2 ASN 71 3.054 -0.893 -5.556 513 HB3 ASN 71 HB1 ASN 71 4.334 0.182 -6.118 514 HD21 ASN 71 HD21 ASN 71 1.469 -1.541 -6.973 515 HD22 ASN 71 HD22 ASN 71 1.152 -0.689 -8.436 516 H THR 72 HN THR 72 4.719 -3.487 -4.686 517 HA THR 72 HA THR 72 7.064 -2.197 -3.500 518 HB THR 72 HB THR 72 6.290 -3.205 -1.382 519 HG1 THR 72 HG1 THR 72 3.853 -3.817 -2.688 520 HG21 THR 72 HG21 THR 72 5.466 -0.931 -2.512 521 HG22 THR 72 HG22 THR 72 4.787 -1.496 -0.984 522 HG23 THR 72 HG23 THR 72 3.915 -1.776 -2.492 523 H GLY 73 HN GLY 73 5.989 -4.966 -5.089 524 HA2 GLY 73 HA2 GLY 73 7.471 -6.500 -6.018 525 HA3 GLY 73 HA1 GLY 73 8.712 -5.861 -4.959 526 H LEU 74 HN LEU 74 6.039 -6.477 -3.195 527 HA LEU 74 HA LEU 74 7.393 -8.591 -1.845 528 HB2 LEU 74 HB2 LEU 74 5.765 -6.546 -1.106 529 HB3 LEU 74 HB1 LEU 74 4.662 -7.895 -1.017 530 HG LEU 74 HG LEU 74 6.370 -9.067 0.417 531 HD11 LEU 74 HD11 LEU 74 8.194 -7.522 -0.476 532 HD12 LEU 74 HD12 LEU 74 8.219 -7.894 1.252 533 HD13 LEU 74 HD13 LEU 74 7.595 -6.341 0.692 534 HD21 LEU 74 HD21 LEU 74 4.395 -7.950 1.362 535 HD22 LEU 74 HD22 LEU 74 5.305 -6.442 1.452 536 HD23 LEU 74 HD23 LEU 74 5.795 -7.827 2.427 537 H ASP 75 HN ASP 75 5.975 -10.442 -1.000 538 HA ASP 75 HA ASP 75 4.482 -11.619 -3.244 539 HB2 ASP 75 HB2 ASP 75 6.824 -12.364 -3.362 540 HB3 ASP 75 HB1 ASP 75 6.719 -12.922 -1.703 541 H LEU 76 HN LEU 76 3.147 -10.566 -1.238 542 HA LEU 76 HA LEU 76 2.524 -12.779 0.599 543 HB2 LEU 76 HB2 LEU 76 3.425 -10.459 1.424 544 HB3 LEU 76 HB1 LEU 76 1.775 -9.932 1.154 545 HG LEU 76 HG LEU 76 0.991 -11.687 2.731 546 HD11 LEU 76 HD11 LEU 76 2.873 -13.243 2.478 547 HD12 LEU 76 HD12 LEU 76 2.606 -12.811 4.164 548 HD13 LEU 76 HD13 LEU 76 3.935 -12.077 3.268 549 HD21 LEU 76 HD21 LEU 76 1.383 -9.395 3.484 550 HD22 LEU 76 HD22 LEU 76 3.054 -9.808 3.861 551 HD23 LEU 76 HD23 LEU 76 1.736 -10.570 4.751 552 HA PRO 77 HA PRO 77 -1.454 -13.099 -1.337 553 HB2 PRO 77 HB2 PRO 77 -2.781 -14.313 0.715 554 HB3 PRO 77 HB1 PRO 77 -1.611 -15.153 -0.310 555 HG2 PRO 77 HG2 PRO 77 -1.226 -13.931 2.399 556 HG3 PRO 77 HG1 PRO 77 -0.696 -15.517 1.804 557 HD2 PRO 77 HD2 PRO 77 0.989 -13.451 1.939 558 HD3 PRO 77 HD1 PRO 77 1.067 -14.619 0.607 559 HA PRO 78 HA PRO 78 -4.537 -10.075 0.126 560 HB2 PRO 78 HB2 PRO 78 -6.656 -11.682 0.943 561 HB3 PRO 78 HB1 PRO 78 -6.382 -11.094 -0.697 562 HG2 PRO 78 HG2 PRO 78 -5.675 -13.736 0.514 563 HG3 PRO 78 HG1 PRO 78 -6.341 -13.380 -1.093 564 HD2 PRO 78 HD2 PRO 78 -3.770 -13.943 -0.821 565 HD3 PRO 78 HD1 PRO 78 -4.282 -12.638 -1.910 566 H THR 79 HN THR 79 -6.514 -10.355 2.119 567 HA THR 79 HA THR 79 -6.849 -9.897 4.250 568 HB THR 79 HB THR 79 -5.831 -11.241 6.021 569 HG1 THR 79 HG1 THR 79 -3.952 -11.770 4.093 570 HG21 THR 79 HG21 THR 79 -7.756 -12.109 4.835 571 HG22 THR 79 HG22 THR 79 -6.668 -13.426 5.270 572 HG23 THR 79 HG23 THR 79 -6.707 -12.827 3.612 573 H LEU 80 HN LEU 80 -4.406 -8.742 2.680 574 HA LEU 80 HA LEU 80 -2.710 -7.622 4.645 575 HB2 LEU 80 HB2 LEU 80 -3.487 -6.433 1.975 576 HB3 LEU 80 HB1 LEU 80 -2.083 -6.007 2.932 577 HG LEU 80 HG LEU 80 -2.561 -8.640 1.538 578 HD11 LEU 80 HD11 LEU 80 -1.983 -6.820 0.029 579 HD12 LEU 80 HD12 LEU 80 -0.652 -7.969 0.169 580 HD13 LEU 80 HD13 LEU 80 -0.579 -6.428 1.023 581 HD21 LEU 80 HD21 LEU 80 -0.217 -7.721 3.198 582 HD22 LEU 80 HD22 LEU 80 -0.295 -9.210 2.255 583 HD23 LEU 80 HD23 LEU 80 -1.370 -8.982 3.633 584 H ILE 81 HN ILE 81 -5.711 -6.605 3.162 585 HA ILE 81 HA ILE 81 -5.833 -4.044 4.429 586 HB ILE 81 HB ILE 81 -8.167 -5.626 3.338 587 HG12 ILE 81 HG12 ILE 81 -6.578 -5.560 1.574 588 HG13 ILE 81 HG11 ILE 81 -7.710 -4.262 1.262 589 HG21 ILE 81 HG21 ILE 81 -7.772 -2.660 3.328 590 HG22 ILE 81 HG22 ILE 81 -8.560 -3.499 4.670 591 HG23 ILE 81 HG23 ILE 81 -9.257 -3.570 3.047 592 HD11 ILE 81 HD11 ILE 81 -5.058 -3.915 2.612 593 HD12 ILE 81 HD12 ILE 81 -6.174 -2.650 2.097 594 HD13 ILE 81 HD13 ILE 81 -5.362 -3.652 0.892 595 H PHE 82 HN PHE 82 -6.950 -7.231 5.197 596 HA PHE 82 HA PHE 82 -8.558 -6.544 7.402 597 HB2 PHE 82 HB2 PHE 82 -7.209 -9.125 6.604 598 HB3 PHE 82 HB1 PHE 82 -8.364 -8.983 7.920 599 HD1 PHE 82 HD1 PHE 82 -10.586 -9.357 7.508 600 HD2 PHE 82 HD2 PHE 82 -8.061 -8.220 4.269 601 HE1 PHE 82 HE1 PHE 82 -12.450 -9.679 5.943 602 HE2 PHE 82 HE2 PHE 82 -9.927 -8.546 2.702 603 HZ PHE 82 HZ PHE 82 -12.126 -9.271 3.537 604 H ASP 83 HN ASP 83 -5.140 -7.369 7.061 605 HA ASP 83 HA ASP 83 -4.705 -7.278 9.923 606 HB2 ASP 83 HB2 ASP 83 -3.410 -8.787 8.368 607 HB3 ASP 83 HB1 ASP 83 -2.623 -7.350 7.732 608 H HIS 84 HN HIS 84 -4.334 -5.201 7.148 609 HA HIS 84 HA HIS 84 -3.529 -2.985 8.917 610 HB2 HIS 84 HB2 HIS 84 -2.488 -3.667 6.172 611 HB3 HIS 84 HB1 HIS 84 -2.275 -2.086 6.890 612 HD1 HIS 84 HD1 HIS 84 -0.481 -1.874 8.741 613 HD2 HIS 84 HD2 HIS 84 -0.970 -5.746 7.316 614 HE1 HIS 84 HE1 HIS 84 1.472 -3.166 9.631 615 HE2 HIS 84 HE2 HIS 84 1.058 -5.541 8.916 616 HA PRO 85 HA PRO 85 -7.413 -2.163 6.838 617 HB2 PRO 85 HB2 PRO 85 -8.682 -0.952 8.835 618 HB3 PRO 85 HB1 PRO 85 -8.270 -2.668 8.931 619 HG2 PRO 85 HG2 PRO 85 -6.909 -0.322 10.193 620 HG3 PRO 85 HG1 PRO 85 -7.245 -1.924 10.875 621 HD2 PRO 85 HD2 PRO 85 -4.820 -1.120 9.770 622 HD3 PRO 85 HD1 PRO 85 -5.332 -2.802 10.013 623 H THR 86 HN THR 86 -5.066 0.189 7.441 624 HA THR 86 HA THR 86 -6.798 2.166 6.144 625 HB THR 86 HB THR 86 -5.678 3.974 7.344 626 HG1 THR 86 HG1 THR 86 -4.588 2.560 9.364 627 HG21 THR 86 HG21 THR 86 -6.870 1.885 9.165 628 HG22 THR 86 HG22 THR 86 -7.735 3.166 8.317 629 HG23 THR 86 HG23 THR 86 -6.606 3.571 9.606 630 HA PRO 87 HA PRO 87 -3.588 2.604 3.063 631 HB2 PRO 87 HB2 PRO 87 -3.767 5.539 3.432 632 HB3 PRO 87 HB1 PRO 87 -3.888 4.579 1.960 633 HG2 PRO 87 HG2 PRO 87 -6.065 5.641 3.090 634 HG3 PRO 87 HG1 PRO 87 -6.105 4.047 2.316 635 HD2 PRO 87 HD2 PRO 87 -6.073 4.745 5.218 636 HD3 PRO 87 HD1 PRO 87 -6.894 3.411 4.384 637 H HIS 88 HN HIS 88 -3.394 4.619 5.933 638 HA HIS 88 HA HIS 88 -0.595 4.920 6.056 639 HB2 HIS 88 HB2 HIS 88 -2.219 6.135 7.502 640 HB3 HIS 88 HB1 HIS 88 -2.545 4.634 8.353 641 HD1 HIS 88 HD1 HIS 88 0.544 6.746 7.582 642 HD2 HIS 88 HD2 HIS 88 -1.114 4.448 10.622 643 HE1 HIS 88 HE1 HIS 88 2.151 6.912 9.506 644 HE2 HIS 88 HE2 HIS 88 1.042 5.654 11.384 645 H ALA 89 HN ALA 89 -2.731 2.476 7.497 646 HA ALA 89 HA ALA 89 -0.805 0.889 8.722 647 HB1 ALA 89 HB1 ALA 89 -3.204 0.679 9.124 648 HB2 ALA 89 HB2 ALA 89 -2.474 -0.875 8.706 649 HB3 ALA 89 HB3 ALA 89 -3.413 0.012 7.502 650 H LEU 90 HN LEU 90 -2.346 0.263 5.520 651 HA LEU 90 HA LEU 90 -0.835 -1.908 4.763 652 HB2 LEU 90 HB2 LEU 90 -2.617 -0.118 3.539 653 HB3 LEU 90 HB1 LEU 90 -1.189 -0.115 2.549 654 HG LEU 90 HG LEU 90 -1.356 -2.454 2.123 655 HD11 LEU 90 HD11 LEU 90 -3.124 -3.832 3.047 656 HD12 LEU 90 HD12 LEU 90 -3.708 -2.473 4.004 657 HD13 LEU 90 HD13 LEU 90 -2.123 -3.170 4.334 658 HD21 LEU 90 HD21 LEU 90 -2.718 -1.012 0.740 659 HD22 LEU 90 HD22 LEU 90 -4.035 -1.100 1.913 660 HD23 LEU 90 HD23 LEU 90 -3.548 -2.540 1.027 661 H THR 91 HN THR 91 -0.116 1.496 4.458 662 HA THR 91 HA THR 91 2.260 1.249 3.041 663 HB THR 91 HB THR 91 1.166 3.351 4.896 664 HG1 THR 91 HG1 THR 91 0.180 3.511 2.990 665 HG21 THR 91 HG21 THR 91 3.876 3.259 3.648 666 HG22 THR 91 HG22 THR 91 3.402 3.778 5.264 667 HG23 THR 91 HG23 THR 91 3.054 4.802 3.871 668 H GLN 92 HN GLN 92 1.628 1.512 6.519 669 HA GLN 92 HA GLN 92 4.186 1.340 7.542 670 HB2 GLN 92 HB2 GLN 92 1.645 0.116 8.618 671 HB3 GLN 92 HB1 GLN 92 3.110 0.340 9.552 672 HG2 GLN 92 HG2 GLN 92 2.886 2.815 9.035 673 HG3 GLN 92 HG1 GLN 92 1.275 2.428 8.446 674 HE21 GLN 92 HE21 GLN 92 3.333 2.561 11.251 675 HE22 GLN 92 HE22 GLN 92 2.065 2.480 12.425 676 H HIS 93 HN HIS 93 2.067 -1.182 6.380 677 HA HIS 93 HA HIS 93 3.558 -3.427 7.149 678 HB2 HIS 93 HB2 HIS 93 1.276 -3.686 6.455 679 HB3 HIS 93 HB1 HIS 93 1.611 -2.970 4.885 680 HD1 HIS 93 HD1 HIS 93 2.554 -6.089 6.859 681 HD2 HIS 93 HD2 HIS 93 2.076 -4.785 2.931 682 HE1 HIS 93 HE1 HIS 93 2.844 -8.132 5.428 683 HE2 HIS 93 HE2 HIS 93 2.332 -7.357 3.087 684 H LEU 94 HN LEU 94 3.450 -1.810 3.947 685 HA LEU 94 HA LEU 94 5.475 -3.538 2.900 686 HB2 LEU 94 HB2 LEU 94 4.323 -0.960 1.835 687 HB3 LEU 94 HB1 LEU 94 5.334 -2.072 0.926 688 HG LEU 94 HG LEU 94 2.735 -2.942 2.161 689 HD11 LEU 94 HD11 LEU 94 1.550 -2.473 0.225 690 HD12 LEU 94 HD12 LEU 94 3.008 -2.132 -0.707 691 HD13 LEU 94 HD13 LEU 94 2.473 -1.004 0.553 692 HD21 LEU 94 HD21 LEU 94 4.334 -4.027 -0.175 693 HD22 LEU 94 HD22 LEU 94 2.868 -4.729 0.518 694 HD23 LEU 94 HD23 LEU 94 4.352 -4.681 1.468 695 H HIS 95 HN HIS 95 5.524 -0.487 4.571 696 HA HIS 95 HA HIS 95 8.111 0.380 3.724 697 HB2 HIS 95 HB2 HIS 95 6.405 1.833 4.872 698 HB3 HIS 95 HB1 HIS 95 6.715 0.944 6.358 699 HD1 HIS 95 HD1 HIS 95 9.045 1.328 7.502 700 HD2 HIS 95 HD2 HIS 95 8.266 3.780 4.230 701 HE1 HIS 95 HE1 HIS 95 10.779 3.141 7.594 702 HE2 HIS 95 HE2 HIS 95 10.380 4.532 5.536 703 H THR 96 HN THR 96 6.944 -1.431 6.585 704 HA THR 96 HA THR 96 9.506 -1.958 7.606 705 HB THR 96 HB THR 96 6.746 -2.558 8.220 706 HG1 THR 96 HG1 THR 96 8.537 -2.931 10.233 707 HG21 THR 96 HG21 THR 96 7.311 -4.853 7.723 708 HG22 THR 96 HG22 THR 96 7.101 -4.638 9.461 709 HG23 THR 96 HG23 THR 96 8.723 -4.763 8.776 710 H ARG 97 HN ARG 97 7.375 -3.724 5.377 711 HA ARG 97 HA ARG 97 8.846 -6.114 5.386 712 HB2 ARG 97 HB2 ARG 97 6.957 -4.953 3.370 713 HB3 ARG 97 HB1 ARG 97 7.673 -6.543 3.193 714 HG2 ARG 97 HG2 ARG 97 6.015 -5.634 5.516 715 HG3 ARG 97 HG1 ARG 97 5.410 -6.570 4.146 716 HD2 ARG 97 HD2 ARG 97 7.587 -7.431 6.048 717 HD3 ARG 97 HD1 ARG 97 5.915 -7.970 6.075 718 HE ARG 97 HE ARG 97 7.460 -8.425 3.641 719 HH11 ARG 97 HH11 ARG 97 5.993 -9.733 6.540 720 HH12 ARG 97 HH12 ARG 97 6.098 -11.377 5.999 721 HH21 ARG 97 HH21 ARG 97 7.581 -10.594 2.922 722 HH22 ARG 97 HH22 ARG 97 6.977 -11.865 3.938 723 H LEU 98 HN LEU 98 9.345 -3.139 3.649 724 HA LEU 98 HA LEU 98 11.094 -3.836 1.698 725 HB2 LEU 98 HB2 LEU 98 10.859 -1.539 3.476 726 HB3 LEU 98 HB1 LEU 98 12.448 -1.741 2.797 727 HG LEU 98 HG LEU 98 11.700 -0.568 1.056 728 HD11 LEU 98 HD11 LEU 98 11.686 -2.884 0.132 729 HD12 LEU 98 HD12 LEU 98 10.607 -1.765 -0.697 730 HD13 LEU 98 HD13 LEU 98 9.946 -2.940 0.442 731 HD21 LEU 98 HD21 LEU 98 9.384 -0.038 0.675 732 HD22 LEU 98 HD22 LEU 98 9.805 0.178 2.374 733 HD23 LEU 98 HD23 LEU 98 8.894 -1.244 1.864 734 H THR 99 HN THR 99 11.978 -3.438 5.105 735 HA THR 99 HA THR 99 14.580 -4.613 4.605 736 HB THR 99 HB THR 99 14.741 -2.848 6.117 737 HG1 THR 99 HG1 THR 99 15.835 -4.702 6.900 738 HG21 THR 99 HG21 THR 99 12.411 -3.975 7.658 739 HG22 THR 99 HG22 THR 99 12.361 -2.574 6.582 740 HG23 THR 99 HG23 THR 99 13.319 -2.518 8.067 741 H GLN 100 HN GLN 100 11.573 -5.385 6.260 742 HA GLN 100 HA GLN 100 12.448 -8.014 7.032 743 HB2 GLN 100 HB2 GLN 100 9.726 -6.737 6.989 744 HB3 GLN 100 HB1 GLN 100 10.078 -8.307 7.684 745 HG2 GLN 100 HG2 GLN 100 11.406 -5.760 8.559 746 HG3 GLN 100 HG1 GLN 100 9.942 -6.403 9.309 747 HE21 GLN 100 HE21 GLN 100 10.761 -9.166 9.025 748 HE22 GLN 100 HE22 GLN 100 11.998 -9.433 10.201 749 H SER 101 HN SER 101 13.148 -8.366 4.690 750 HA SER 101 HA SER 101 10.919 -9.507 3.169 751 HB2 SER 101 HB2 SER 101 11.973 -8.547 1.100 752 HB3 SER 101 HB1 SER 101 11.291 -7.355 2.210 753 HG SER 101 HG SER 101 13.200 -6.530 2.469 754 H HIS 102 HN HIS 102 11.894 -10.662 1.159 755 HA HIS 102 HA HIS 102 14.070 -12.372 2.146 756 HB2 HIS 102 HB2 HIS 102 11.760 -12.990 0.333 757 HB3 HIS 102 HB1 HIS 102 13.111 -14.074 0.539 758 HD1 HIS 102 HD1 HIS 102 12.763 -15.806 2.263 759 HD2 HIS 102 HD2 HIS 102 10.470 -12.421 2.996 760 HE1 HIS 102 HE1 HIS 102 11.381 -16.351 4.293 761 HE2 HIS 102 HE2 HIS 102 10.125 -14.230 4.810 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 3.034 -9.410 -11.549 2 H2 GLY 1 HT2 GLY 1 3.190 -10.822 -10.631 3 H3 GLY 1 HT3 GLY 1 3.830 -10.754 -12.194 4 HA2 GLY 1 HA1 GLY 1 4.757 -9.156 -9.879 5 HA3 GLY 1 HA2 GLY 1 5.581 -10.555 -10.553 6 H ALA 2 HN ALA 2 7.207 -8.603 -10.510 7 HA ALA 2 HA ALA 2 7.472 -7.748 -13.266 8 HB1 ALA 2 HB1 ALA 2 6.136 -5.938 -12.295 9 HB2 ALA 2 HB2 ALA 2 7.751 -5.382 -12.730 10 HB3 ALA 2 HB3 ALA 2 7.355 -5.708 -11.043 11 H ALA 3 HN ALA 3 8.927 -9.586 -11.885 12 HA ALA 3 HA ALA 3 11.063 -10.253 -11.542 13 HB1 ALA 3 HB1 ALA 3 12.944 -8.844 -12.157 14 HB2 ALA 3 HB2 ALA 3 11.879 -7.444 -12.276 15 HB3 ALA 3 HB3 ALA 3 11.698 -8.789 -13.403 16 H SER 4 HN SER 4 10.970 -6.893 -10.383 17 HA SER 4 HA SER 4 10.719 -7.524 -7.679 18 HB2 SER 4 HB2 SER 4 13.059 -8.396 -7.967 19 HB3 SER 4 HB1 SER 4 13.555 -6.759 -8.388 20 HG SER 4 HG SER 4 13.141 -7.834 -5.949 21 H ALA 5 HN ALA 5 9.211 -5.847 -8.252 22 HA ALA 5 HA ALA 5 10.224 -3.181 -8.638 23 HB1 ALA 5 HB1 ALA 5 7.469 -4.104 -7.824 24 HB2 ALA 5 HB2 ALA 5 8.013 -3.810 -9.475 25 HB3 ALA 5 HB3 ALA 5 7.907 -2.473 -8.331 26 H ALA 6 HN ALA 6 10.333 -5.247 -6.126 27 HA ALA 6 HA ALA 6 9.798 -3.557 -3.902 28 HB1 ALA 6 HB1 ALA 6 9.877 -5.947 -3.611 29 HB2 ALA 6 HB2 ALA 6 11.180 -5.223 -2.666 30 HB3 ALA 6 HB3 ALA 6 11.537 -6.008 -4.210 31 H THR 7 HN THR 7 12.918 -4.669 -5.279 32 HA THR 7 HA THR 7 14.424 -2.646 -4.119 33 HB THR 7 HB THR 7 15.415 -4.663 -5.008 34 HG1 THR 7 HG1 THR 7 16.398 -2.364 -6.385 35 HG21 THR 7 HG21 THR 7 14.017 -4.958 -6.993 36 HG22 THR 7 HG22 THR 7 15.731 -4.986 -7.415 37 HG23 THR 7 HG23 THR 7 14.768 -3.544 -7.735 38 H ASP 8 HN ASP 8 12.005 -2.200 -6.408 39 HA ASP 8 HA ASP 8 13.289 0.159 -7.556 40 HB2 ASP 8 HB2 ASP 8 11.077 -1.571 -8.341 41 HB3 ASP 8 HB1 ASP 8 10.690 0.146 -8.417 42 H LEU 9 HN LEU 9 10.756 -0.990 -5.494 43 HA LEU 9 HA LEU 9 9.527 1.498 -4.998 44 HB2 LEU 9 HB2 LEU 9 8.315 -0.473 -4.448 45 HB3 LEU 9 HB1 LEU 9 9.614 -1.079 -3.447 46 HG LEU 9 HG LEU 9 9.259 0.971 -1.993 47 HD11 LEU 9 HD11 LEU 9 7.942 2.234 -3.611 48 HD12 LEU 9 HD12 LEU 9 7.091 2.018 -2.072 49 HD13 LEU 9 HD13 LEU 9 6.639 1.034 -3.468 50 HD21 LEU 9 HD21 LEU 9 8.649 -1.322 -1.394 51 HD22 LEU 9 HD22 LEU 9 7.063 -1.071 -2.112 52 HD23 LEU 9 HD23 LEU 9 7.554 -0.124 -0.714 53 H ALA 10 HN ALA 10 11.599 -0.560 -3.083 54 HA ALA 10 HA ALA 10 12.342 1.356 -1.131 55 HB1 ALA 10 HB1 ALA 10 13.896 -1.061 -2.060 56 HB2 ALA 10 HB2 ALA 10 12.635 -1.059 -0.825 57 HB3 ALA 10 HB3 ALA 10 14.140 -0.183 -0.550 58 H ALA 11 HN ALA 11 12.930 1.465 -4.345 59 HA ALA 11 HA ALA 11 15.494 2.787 -4.202 60 HB1 ALA 11 HB1 ALA 11 15.068 1.480 -6.162 61 HB2 ALA 11 HB2 ALA 11 15.113 3.184 -6.621 62 HB3 ALA 11 HB3 ALA 11 13.561 2.349 -6.461 63 H ARG 12 HN ARG 12 12.012 3.595 -4.683 64 HA ARG 12 HA ARG 12 12.333 6.383 -4.851 65 HB2 ARG 12 HB2 ARG 12 10.168 4.543 -3.935 66 HB3 ARG 12 HB1 ARG 12 9.981 6.265 -3.692 67 HG2 ARG 12 HG2 ARG 12 8.863 5.957 -5.640 68 HG3 ARG 12 HG1 ARG 12 10.472 6.340 -6.252 69 HD2 ARG 12 HD2 ARG 12 10.852 4.216 -6.966 70 HD3 ARG 12 HD1 ARG 12 9.857 3.510 -5.693 71 HE ARG 12 HE ARG 12 8.294 4.988 -7.569 72 HH11 ARG 12 HH11 ARG 12 9.934 1.939 -7.123 73 HH12 ARG 12 HH12 ARG 12 8.840 1.049 -8.135 74 HH21 ARG 12 HH21 ARG 12 6.854 3.824 -8.928 75 HH22 ARG 12 HH22 ARG 12 7.100 2.124 -9.171 76 H LEU 13 HN LEU 13 12.345 4.103 -2.277 77 HA LEU 13 HA LEU 13 11.994 6.024 -0.160 78 HB2 LEU 13 HB2 LEU 13 12.443 3.078 -0.311 79 HB3 LEU 13 HB1 LEU 13 12.556 3.907 1.222 80 HG LEU 13 HG LEU 13 10.248 4.493 1.179 81 HD11 LEU 13 HD11 LEU 13 9.784 5.186 -0.964 82 HD12 LEU 13 HD12 LEU 13 8.817 3.719 -0.772 83 HD13 LEU 13 HD13 LEU 13 10.338 3.668 -1.678 84 HD21 LEU 13 HD21 LEU 13 10.722 2.219 1.865 85 HD22 LEU 13 HD22 LEU 13 10.553 1.675 0.196 86 HD23 LEU 13 HD23 LEU 13 9.159 2.326 1.058 87 H ASN 14 HN ASN 14 14.530 4.164 -1.601 88 HA ASN 14 HA ASN 14 16.638 4.529 0.098 89 HB2 ASN 14 HB2 ASN 14 16.153 3.682 -2.535 90 HB3 ASN 14 HB1 ASN 14 17.476 4.846 -2.631 91 HD21 ASN 14 HD21 ASN 14 17.220 1.850 -2.900 92 HD22 ASN 14 HD22 ASN 14 18.488 1.235 -1.899 93 H GLY 15 HN GLY 15 17.750 6.193 0.803 94 HA2 GLY 15 HA2 GLY 15 18.886 8.238 0.657 95 HA3 GLY 15 HA1 GLY 15 17.983 8.616 -0.802 96 H LEU 16 HN LEU 16 15.603 7.601 1.040 97 HA LEU 16 HA LEU 16 15.017 10.327 1.936 98 HB2 LEU 16 HB2 LEU 16 13.315 8.032 1.078 99 HB3 LEU 16 HB1 LEU 16 12.635 9.259 2.115 100 HG LEU 16 HG LEU 16 12.054 9.767 -0.143 101 HD11 LEU 16 HD11 LEU 16 14.302 11.591 0.631 102 HD12 LEU 16 HD12 LEU 16 12.728 11.573 1.437 103 HD13 LEU 16 HD13 LEU 16 12.845 11.993 -0.280 104 HD21 LEU 16 HD21 LEU 16 13.724 10.176 -1.877 105 HD22 LEU 16 HD22 LEU 16 13.809 8.514 -1.290 106 HD23 LEU 16 HD23 LEU 16 15.005 9.697 -0.762 107 H SER 17 HN SER 17 13.678 10.569 3.849 108 HA SER 17 HA SER 17 14.670 9.028 6.084 109 HB2 SER 17 HB2 SER 17 13.408 10.682 7.412 110 HB3 SER 17 HB1 SER 17 14.408 11.483 6.205 111 HG SER 17 HG SER 17 11.928 11.928 6.553 112 HA PRO 18 HA PRO 18 11.610 5.997 6.669 113 HB2 PRO 18 HB2 PRO 18 10.870 7.389 9.218 114 HB3 PRO 18 HB1 PRO 18 11.184 5.670 8.926 115 HG2 PRO 18 HG2 PRO 18 13.065 7.137 10.047 116 HG3 PRO 18 HG1 PRO 18 13.501 6.002 8.755 117 HD2 PRO 18 HD2 PRO 18 13.224 8.966 8.637 118 HD3 PRO 18 HD1 PRO 18 14.403 7.906 7.840 119 H GLN 19 HN GLN 19 10.415 9.183 7.656 120 HA GLN 19 HA GLN 19 7.663 8.580 7.080 121 HB2 GLN 19 HB2 GLN 19 8.418 10.285 8.741 122 HB3 GLN 19 HB1 GLN 19 8.930 11.292 7.392 123 HG2 GLN 19 HG2 GLN 19 6.615 11.174 6.525 124 HG3 GLN 19 HG1 GLN 19 6.148 10.368 8.016 125 HE21 GLN 19 HE21 GLN 19 8.535 12.919 7.889 126 HE22 GLN 19 HE22 GLN 19 7.591 14.103 8.724 127 H GLN 20 HN GLN 20 10.310 9.948 5.220 128 HA GLN 20 HA GLN 20 8.612 10.907 3.101 129 HB2 GLN 20 HB2 GLN 20 11.589 10.455 3.309 130 HB3 GLN 20 HB1 GLN 20 10.809 11.011 1.825 131 HG2 GLN 20 HG2 GLN 20 9.881 12.935 3.126 132 HG3 GLN 20 HG1 GLN 20 10.869 12.402 4.475 133 HE21 GLN 20 HE21 GLN 20 13.065 12.676 4.430 134 HE22 GLN 20 HE22 GLN 20 13.850 13.697 3.269 135 H GLN 21 HN GLN 21 10.783 8.171 3.614 136 HA GLN 21 HA GLN 21 10.240 6.626 1.393 137 HB2 GLN 21 HB2 GLN 21 10.619 5.776 4.279 138 HB3 GLN 21 HB1 GLN 21 10.732 4.689 2.907 139 HG2 GLN 21 HG2 GLN 21 12.661 5.829 2.087 140 HG3 GLN 21 HG1 GLN 21 12.503 7.089 3.313 141 HE21 GLN 21 HE21 GLN 21 13.462 3.817 2.661 142 HE22 GLN 21 HE22 GLN 21 14.245 3.528 4.172 143 H GLN 22 HN GLN 22 8.373 7.205 4.265 144 HA GLN 22 HA GLN 22 6.389 5.238 3.902 145 HB2 GLN 22 HB2 GLN 22 7.086 6.978 5.848 146 HB3 GLN 22 HB1 GLN 22 5.702 7.763 5.172 147 HG2 GLN 22 HG2 GLN 22 4.353 5.908 5.578 148 HG3 GLN 22 HG1 GLN 22 5.699 4.959 6.169 149 HE21 GLN 22 HE21 GLN 22 5.177 8.345 6.869 150 HE22 GLN 22 HE22 GLN 22 4.830 8.147 8.549 151 H GLN 23 HN GLN 23 6.424 8.712 3.386 152 HA GLN 23 HA GLN 23 4.090 9.299 2.212 153 HB2 GLN 23 HB2 GLN 23 6.797 10.190 1.397 154 HB3 GLN 23 HB1 GLN 23 5.324 10.950 0.815 155 HG2 GLN 23 HG2 GLN 23 4.713 11.629 2.996 156 HG3 GLN 23 HG1 GLN 23 5.971 10.651 3.722 157 HE21 GLN 23 HE21 GLN 23 6.536 12.561 0.856 158 HE22 GLN 23 HE22 GLN 23 7.547 13.743 1.614 159 H THR 24 HN THR 24 6.805 7.867 0.417 160 HA THR 24 HA THR 24 5.676 7.887 -2.136 161 HB THR 24 HB THR 24 7.652 6.142 -0.716 162 HG1 THR 24 HG1 THR 24 7.700 8.394 -2.225 163 HG21 THR 24 HG21 THR 24 8.153 4.957 -2.756 164 HG22 THR 24 HG22 THR 24 6.918 5.863 -3.633 165 HG23 THR 24 HG23 THR 24 6.445 4.725 -2.370 166 H LEU 25 HN LEU 25 5.458 5.396 0.403 167 HA LEU 25 HA LEU 25 3.640 3.744 -1.113 168 HB2 LEU 25 HB2 LEU 25 4.210 3.846 1.831 169 HB3 LEU 25 HB1 LEU 25 3.330 2.574 1.019 170 HG LEU 25 HG LEU 25 6.093 3.105 0.090 171 HD11 LEU 25 HD11 LEU 25 7.060 1.844 1.911 172 HD12 LEU 25 HD12 LEU 25 5.473 1.665 2.664 173 HD13 LEU 25 HD13 LEU 25 6.220 3.261 2.552 174 HD21 LEU 25 HD21 LEU 25 6.052 0.619 -0.001 175 HD22 LEU 25 HD22 LEU 25 4.800 1.383 -0.975 176 HD23 LEU 25 HD23 LEU 25 4.392 0.665 0.582 177 H ALA 26 HN ALA 26 3.504 6.171 1.377 178 HA ALA 26 HA ALA 26 0.705 6.032 1.844 179 HB1 ALA 26 HB1 ALA 26 2.371 6.851 3.472 180 HB2 ALA 26 HB2 ALA 26 1.095 8.040 3.180 181 HB3 ALA 26 HB3 ALA 26 2.685 8.240 2.434 182 H THR 27 HN THR 27 2.108 6.709 -0.858 183 HA THR 27 HA THR 27 0.063 8.614 -1.715 184 HB THR 27 HB THR 27 2.978 8.433 -2.402 185 HG1 THR 27 HG1 THR 27 1.457 10.150 -1.121 186 HG21 THR 27 HG21 THR 27 2.683 9.698 -4.435 187 HG22 THR 27 HG22 THR 27 0.929 9.667 -4.235 188 HG23 THR 27 HG23 THR 27 1.811 8.166 -4.544 189 H LEU 28 HN LEU 28 2.233 5.994 -2.617 190 HA LEU 28 HA LEU 28 0.957 5.214 -4.972 191 HB2 LEU 28 HB2 LEU 28 3.143 4.537 -4.852 192 HB3 LEU 28 HB1 LEU 28 3.005 4.108 -3.164 193 HG LEU 28 HG LEU 28 1.334 2.312 -4.176 194 HD11 LEU 28 HD11 LEU 28 2.244 1.351 -6.211 195 HD12 LEU 28 HD12 LEU 28 3.398 2.683 -6.320 196 HD13 LEU 28 HD13 LEU 28 1.669 3.001 -6.469 197 HD21 LEU 28 HD21 LEU 28 3.346 0.750 -4.179 198 HD22 LEU 28 HD22 LEU 28 2.960 1.634 -2.695 199 HD23 LEU 28 HD23 LEU 28 4.281 2.184 -3.735 200 H VAL 29 HN VAL 29 0.865 4.011 -1.697 201 HA VAL 29 HA VAL 29 -0.797 1.789 -2.196 202 HB VAL 29 HB VAL 29 -0.202 3.358 0.309 203 HG11 VAL 29 HG11 VAL 29 -1.734 0.760 0.137 204 HG12 VAL 29 HG12 VAL 29 -2.461 2.337 0.441 205 HG13 VAL 29 HG13 VAL 29 -1.320 1.652 1.602 206 HG21 VAL 29 HG21 VAL 29 1.605 2.033 -0.736 207 HG22 VAL 29 HG22 VAL 29 0.618 0.583 -0.540 208 HG23 VAL 29 HG23 VAL 29 1.174 1.469 0.880 209 H ALA 30 HN ALA 30 -1.334 5.112 -1.441 210 HA ALA 30 HA ALA 30 -4.167 4.888 -1.173 211 HB1 ALA 30 HB1 ALA 30 -2.971 6.631 -0.042 212 HB2 ALA 30 HB2 ALA 30 -4.080 7.335 -1.219 213 HB3 ALA 30 HB3 ALA 30 -2.359 7.237 -1.579 214 H ALA 31 HN ALA 31 -1.878 5.651 -3.658 215 HA ALA 31 HA ALA 31 -3.652 6.429 -5.696 216 HB1 ALA 31 HB1 ALA 31 -1.760 5.707 -7.199 217 HB2 ALA 31 HB2 ALA 31 -0.930 5.114 -5.749 218 HB3 ALA 31 HB3 ALA 31 -1.296 6.828 -5.917 219 H ALA 32 HN ALA 32 -2.303 3.373 -4.685 220 HA ALA 32 HA ALA 32 -3.591 1.589 -6.346 221 HB1 ALA 32 HB1 ALA 32 -1.898 0.834 -4.888 222 HB2 ALA 32 HB2 ALA 32 -3.384 0.053 -4.334 223 HB3 ALA 32 HB3 ALA 32 -2.740 1.457 -3.470 224 H THR 33 HN THR 33 -4.732 2.913 -3.204 225 HA THR 33 HA THR 33 -7.255 1.540 -3.474 226 HB THR 33 HB THR 33 -6.685 3.823 -1.580 227 HG1 THR 33 HG1 THR 33 -5.043 2.186 -1.398 228 HG21 THR 33 HG21 THR 33 -8.620 1.514 -1.642 229 HG22 THR 33 HG22 THR 33 -8.973 3.243 -1.532 230 HG23 THR 33 HG23 THR 33 -8.259 2.401 -0.158 231 H ALA 34 HN ALA 34 -5.971 4.592 -4.457 232 HA ALA 34 HA ALA 34 -8.426 5.897 -4.956 233 HB1 ALA 34 HB1 ALA 34 -5.754 6.238 -6.327 234 HB2 ALA 34 HB2 ALA 34 -6.306 7.105 -4.892 235 HB3 ALA 34 HB3 ALA 34 -7.119 7.352 -6.440 236 H THR 35 HN THR 35 -6.494 3.554 -6.630 237 HA THR 35 HA THR 35 -7.886 3.576 -9.097 238 HB THR 35 HB THR 35 -5.799 1.962 -7.771 239 HG1 THR 35 HG1 THR 35 -5.774 3.691 -9.606 240 HG21 THR 35 HG21 THR 35 -7.381 0.782 -10.043 241 HG22 THR 35 HG22 THR 35 -7.485 0.269 -8.357 242 HG23 THR 35 HG23 THR 35 -5.968 0.079 -9.248 243 H VAL 36 HN VAL 36 -7.964 1.448 -6.231 244 HA VAL 36 HA VAL 36 -9.713 -0.464 -7.212 245 HB VAL 36 HB VAL 36 -10.232 -0.995 -4.847 246 HG11 VAL 36 HG11 VAL 36 -7.402 -0.668 -5.701 247 HG12 VAL 36 HG12 VAL 36 -8.390 -2.135 -5.629 248 HG13 VAL 36 HG13 VAL 36 -7.823 -1.379 -4.143 249 HG21 VAL 36 HG21 VAL 36 -8.879 1.574 -4.384 250 HG22 VAL 36 HG22 VAL 36 -8.724 0.281 -3.197 251 HG23 VAL 36 HG23 VAL 36 -10.319 0.896 -3.626 252 H LEU 37 HN LEU 37 -10.418 2.650 -5.774 253 HA LEU 37 HA LEU 37 -13.272 2.053 -5.749 254 HB2 LEU 37 HB2 LEU 37 -11.959 4.629 -4.950 255 HB3 LEU 37 HB1 LEU 37 -13.523 4.014 -4.456 256 HG LEU 37 HG LEU 37 -10.909 2.728 -3.704 257 HD11 LEU 37 HD11 LEU 37 -11.014 4.965 -2.803 258 HD12 LEU 37 HD12 LEU 37 -11.196 3.762 -1.528 259 HD13 LEU 37 HD13 LEU 37 -12.607 4.637 -2.123 260 HD21 LEU 37 HD21 LEU 37 -13.710 2.379 -2.651 261 HD22 LEU 37 HD22 LEU 37 -12.267 1.571 -2.030 262 HD23 LEU 37 HD23 LEU 37 -12.832 1.237 -3.667 263 H GLY 38 HN GLY 38 -10.985 4.279 -7.285 264 HA2 GLY 38 HA2 GLY 38 -11.330 4.626 -9.694 265 HA3 GLY 38 HA1 GLY 38 -13.045 4.771 -9.343 266 H HIS 39 HN HIS 39 -10.733 6.182 -7.204 267 HA HIS 39 HA HIS 39 -11.812 8.817 -7.779 268 HB2 HIS 39 HB2 HIS 39 -9.949 7.819 -5.633 269 HB3 HIS 39 HB1 HIS 39 -10.382 9.510 -5.812 270 HD1 HIS 39 HD1 HIS 39 -11.727 9.840 -3.709 271 HD2 HIS 39 HD2 HIS 39 -12.973 6.537 -5.915 272 HE1 HIS 39 HE1 HIS 39 -13.816 9.010 -2.576 273 HE2 HIS 39 HE2 HIS 39 -14.636 7.116 -4.026 274 H HIS 40 HN HIS 40 -8.936 6.960 -8.220 275 HA HIS 40 HA HIS 40 -6.974 7.283 -9.281 276 HB2 HIS 40 HB2 HIS 40 -8.257 8.273 -11.111 277 HB3 HIS 40 HB1 HIS 40 -8.221 9.839 -10.308 278 HD1 HIS 40 HD1 HIS 40 -6.740 11.251 -11.726 279 HD2 HIS 40 HD2 HIS 40 -5.137 7.467 -11.073 280 HE1 HIS 40 HE1 HIS 40 -4.467 11.278 -12.805 281 HE2 HIS 40 HE2 HIS 40 -3.508 8.987 -12.389 282 H THR 41 HN THR 41 -8.182 10.069 -7.510 283 HA THR 41 HA THR 41 -5.552 11.124 -7.041 284 HB THR 41 HB THR 41 -6.945 12.467 -5.284 285 HG1 THR 41 HG1 THR 41 -9.050 12.104 -7.080 286 HG21 THR 41 HG21 THR 41 -5.913 13.469 -7.216 287 HG22 THR 41 HG22 THR 41 -7.562 14.069 -7.035 288 HG23 THR 41 HG23 THR 41 -7.198 12.851 -8.257 289 HA PRO 42 HA PRO 42 -4.914 8.674 -3.314 290 HB2 PRO 42 HB2 PRO 42 -2.338 10.021 -3.218 291 HB3 PRO 42 HB1 PRO 42 -2.682 8.313 -3.483 292 HG2 PRO 42 HG2 PRO 42 -1.696 9.934 -5.426 293 HG3 PRO 42 HG1 PRO 42 -2.730 8.532 -5.759 294 HD2 PRO 42 HD2 PRO 42 -3.463 11.438 -5.647 295 HD3 PRO 42 HD1 PRO 42 -3.988 10.188 -6.793 296 H GLU 43 HN GLU 43 -4.735 12.047 -3.949 297 HA GLU 43 HA GLU 43 -4.476 13.046 -1.323 298 HB2 GLU 43 HB2 GLU 43 -5.890 14.225 -3.710 299 HB3 GLU 43 HB1 GLU 43 -5.457 15.109 -2.253 300 HG2 GLU 43 HG2 GLU 43 -3.137 14.839 -2.718 301 HG3 GLU 43 HG1 GLU 43 -3.505 13.731 -4.038 302 H SER 44 HN SER 44 -7.132 12.015 -3.314 303 HA SER 44 HA SER 44 -9.241 12.740 -1.565 304 HB2 SER 44 HB2 SER 44 -9.519 12.401 -4.010 305 HB3 SER 44 HB1 SER 44 -9.178 10.693 -3.774 306 HG SER 44 HG SER 44 -11.423 12.173 -2.907 307 H ILE 45 HN ILE 45 -7.081 10.085 -1.848 308 HA ILE 45 HA ILE 45 -8.607 8.297 -0.159 309 HB ILE 45 HB ILE 45 -5.797 8.033 -1.220 310 HG12 ILE 45 HG12 ILE 45 -7.381 8.228 -3.045 311 HG13 ILE 45 HG11 ILE 45 -6.797 6.576 -2.930 312 HG21 ILE 45 HG21 ILE 45 -6.324 6.596 0.741 313 HG22 ILE 45 HG22 ILE 45 -5.952 5.695 -0.730 314 HG23 ILE 45 HG23 ILE 45 -7.629 5.868 -0.204 315 HD11 ILE 45 HD11 ILE 45 -8.854 5.881 -1.886 316 HD12 ILE 45 HD12 ILE 45 -9.185 6.704 -3.410 317 HD13 ILE 45 HD13 ILE 45 -9.441 7.545 -1.882 318 H SER 46 HN SER 46 -8.727 9.163 1.879 319 HA SER 46 HA SER 46 -6.472 10.299 3.218 320 HB2 SER 46 HB2 SER 46 -9.000 10.708 3.658 321 HB3 SER 46 HB1 SER 46 -8.904 9.226 4.600 322 HG SER 46 HG SER 46 -7.433 11.611 5.008 323 HA PRO 47 HA PRO 47 -4.686 6.494 4.467 324 HB2 PRO 47 HB2 PRO 47 -2.815 7.382 6.113 325 HB3 PRO 47 HB1 PRO 47 -2.841 7.958 4.447 326 HG2 PRO 47 HG2 PRO 47 -3.727 9.328 6.936 327 HG3 PRO 47 HG1 PRO 47 -2.935 10.005 5.508 328 HD2 PRO 47 HD2 PRO 47 -5.707 10.002 6.076 329 HD3 PRO 47 HD1 PRO 47 -4.943 10.449 4.529 330 H ALA 48 HN ALA 48 -6.694 8.182 6.428 331 HA ALA 48 HA ALA 48 -6.308 6.370 8.677 332 HB1 ALA 48 HB1 ALA 48 -6.893 9.297 8.891 333 HB2 ALA 48 HB2 ALA 48 -5.285 8.586 9.021 334 HB3 ALA 48 HB3 ALA 48 -6.529 8.182 10.212 335 H THR 49 HN THR 49 -8.296 7.089 6.315 336 HA THR 49 HA THR 49 -10.817 7.348 7.622 337 HB THR 49 HB THR 49 -9.936 6.696 4.826 338 HG1 THR 49 HG1 THR 49 -11.422 8.861 5.941 339 HG21 THR 49 HG21 THR 49 -12.266 6.685 4.122 340 HG22 THR 49 HG22 THR 49 -12.777 6.807 5.808 341 HG23 THR 49 HG23 THR 49 -11.914 5.371 5.250 342 H ALA 50 HN ALA 50 -8.973 4.768 6.182 343 HA ALA 50 HA ALA 50 -8.827 2.537 6.801 344 HB1 ALA 50 HB1 ALA 50 -10.220 2.671 8.768 345 HB2 ALA 50 HB2 ALA 50 -10.729 1.311 7.762 346 HB3 ALA 50 HB3 ALA 50 -11.667 2.807 7.765 347 H PHE 51 HN PHE 51 -8.917 1.037 5.400 348 HA PHE 51 HA PHE 51 -9.900 1.347 2.844 349 HB2 PHE 51 HB2 PHE 51 -9.254 -1.140 4.406 350 HB3 PHE 51 HB1 PHE 51 -9.598 -1.156 2.674 351 HD1 PHE 51 HD1 PHE 51 -8.301 1.130 1.638 352 HD2 PHE 51 HD2 PHE 51 -7.038 -1.463 4.743 353 HE1 PHE 51 HE1 PHE 51 -5.969 1.740 1.175 354 HE2 PHE 51 HE2 PHE 51 -4.701 -0.868 4.299 355 HZ PHE 51 HZ PHE 51 -4.160 0.738 2.507 356 H LYS 52 HN LYS 52 -11.357 -0.502 5.489 357 HA LYS 52 HA LYS 52 -13.637 -1.401 4.256 358 HB2 LYS 52 HB2 LYS 52 -13.255 -0.319 7.055 359 HB3 LYS 52 HB1 LYS 52 -14.691 -1.199 6.531 360 HG2 LYS 52 HG2 LYS 52 -13.117 -3.077 5.896 361 HG3 LYS 52 HG1 LYS 52 -11.873 -2.185 6.763 362 HD2 LYS 52 HD2 LYS 52 -14.479 -2.992 7.993 363 HD3 LYS 52 HD1 LYS 52 -13.048 -4.013 8.059 364 HE2 LYS 52 HE2 LYS 52 -13.237 -1.202 9.098 365 HE3 LYS 52 HE1 LYS 52 -13.390 -2.646 10.090 366 HZ1 LYS 52 HZ1 LYS 52 -11.150 -1.703 10.173 367 HZ2 LYS 52 HZ2 LYS 52 -10.984 -1.928 8.504 368 HZ3 LYS 52 HZ3 LYS 52 -11.145 -3.263 9.521 369 H ASP 53 HN ASP 53 -12.933 1.701 5.686 370 HA ASP 53 HA ASP 53 -15.575 2.743 5.273 371 HB2 ASP 53 HB2 ASP 53 -13.003 3.994 6.261 372 HB3 ASP 53 HB1 ASP 53 -14.526 4.880 6.123 373 H LEU 54 HN LEU 54 -12.928 2.307 3.348 374 HA LEU 54 HA LEU 54 -13.255 4.698 1.723 375 HB2 LEU 54 HB2 LEU 54 -11.270 2.478 1.876 376 HB3 LEU 54 HB1 LEU 54 -11.376 3.402 0.398 377 HG LEU 54 HG LEU 54 -10.971 4.710 3.083 378 HD11 LEU 54 HD11 LEU 54 -9.150 3.160 2.824 379 HD12 LEU 54 HD12 LEU 54 -8.575 4.800 2.511 380 HD13 LEU 54 HD13 LEU 54 -8.882 3.702 1.168 381 HD21 LEU 54 HD21 LEU 54 -10.448 5.553 0.247 382 HD22 LEU 54 HD22 LEU 54 -10.020 6.489 1.679 383 HD23 LEU 54 HD23 LEU 54 -11.715 6.162 1.311 384 H GLY 55 HN GLY 55 -14.089 1.334 1.747 385 HA2 GLY 55 HA2 GLY 55 -15.996 0.826 0.219 386 HA3 GLY 55 HA1 GLY 55 -15.039 1.588 -1.043 387 H ILE 56 HN ILE 56 -12.883 0.092 0.861 388 HA ILE 56 HA ILE 56 -12.303 -2.029 -0.890 389 HB ILE 56 HB ILE 56 -11.484 -1.474 1.952 390 HG12 ILE 56 HG12 ILE 56 -10.206 -0.041 0.761 391 HG13 ILE 56 HG11 ILE 56 -9.199 -1.464 0.639 392 HG21 ILE 56 HG21 ILE 56 -10.944 -3.866 0.310 393 HG22 ILE 56 HG22 ILE 56 -11.320 -3.724 2.031 394 HG23 ILE 56 HG23 ILE 56 -9.722 -3.269 1.429 395 HD11 ILE 56 HD11 ILE 56 -9.300 -0.454 -1.493 396 HD12 ILE 56 HD12 ILE 56 -11.059 -0.379 -1.444 397 HD13 ILE 56 HD13 ILE 56 -10.241 -1.944 -1.563 398 H ASP 57 HN ASP 57 -13.113 -4.042 -1.039 399 HA ASP 57 HA ASP 57 -14.369 -5.340 1.197 400 HB2 ASP 57 HB2 ASP 57 -16.198 -3.866 0.367 401 HB3 ASP 57 HB1 ASP 57 -16.108 -4.687 -1.189 402 H SER 58 HN SER 58 -12.661 -6.769 0.706 403 HA SER 58 HA SER 58 -11.850 -8.734 -0.035 404 HB2 SER 58 HB2 SER 58 -14.436 -9.056 -1.485 405 HB3 SER 58 HB1 SER 58 -13.294 -10.334 -1.116 406 HG SER 58 HG SER 58 -14.234 -8.788 1.010 407 H LEU 59 HN LEU 59 -13.741 -7.769 -2.881 408 HA LEU 59 HA LEU 59 -11.855 -8.660 -4.753 409 HB2 LEU 59 HB2 LEU 59 -13.981 -6.541 -4.976 410 HB3 LEU 59 HB1 LEU 59 -13.023 -7.090 -6.324 411 HG LEU 59 HG LEU 59 -13.978 -9.341 -6.114 412 HD11 LEU 59 HD11 LEU 59 -15.699 -8.153 -3.947 413 HD12 LEU 59 HD12 LEU 59 -14.411 -9.336 -3.710 414 HD13 LEU 59 HD13 LEU 59 -15.851 -9.771 -4.634 415 HD21 LEU 59 HD21 LEU 59 -16.281 -8.724 -6.795 416 HD22 LEU 59 HD22 LEU 59 -15.025 -7.784 -7.604 417 HD23 LEU 59 HD23 LEU 59 -15.940 -7.071 -6.275 418 H THR 60 HN THR 60 -12.550 -5.401 -3.565 419 HA THR 60 HA THR 60 -10.370 -4.300 -5.084 420 HB THR 60 HB THR 60 -10.937 -2.228 -3.612 421 HG1 THR 60 HG1 THR 60 -13.518 -3.176 -3.462 422 HG21 THR 60 HG21 THR 60 -11.351 -2.512 -6.025 423 HG22 THR 60 HG22 THR 60 -12.639 -1.606 -5.221 424 HG23 THR 60 HG23 THR 60 -12.890 -3.300 -5.650 425 H ALA 61 HN ALA 61 -10.798 -5.730 -2.039 426 HA ALA 61 HA ALA 61 -8.481 -4.541 -0.815 427 HB1 ALA 61 HB1 ALA 61 -10.345 -5.617 0.471 428 HB2 ALA 61 HB2 ALA 61 -8.720 -6.140 0.926 429 HB3 ALA 61 HB3 ALA 61 -9.736 -7.181 -0.080 430 H LEU 62 HN LEU 62 -9.196 -7.413 -2.724 431 HA LEU 62 HA LEU 62 -6.524 -8.403 -2.648 432 HB2 LEU 62 HB2 LEU 62 -8.870 -9.528 -3.269 433 HB3 LEU 62 HB1 LEU 62 -8.354 -9.047 -4.863 434 HG LEU 62 HG LEU 62 -7.402 -11.066 -4.955 435 HD11 LEU 62 HD11 LEU 62 -5.126 -11.189 -4.219 436 HD12 LEU 62 HD12 LEU 62 -5.392 -9.918 -3.026 437 HD13 LEU 62 HD13 LEU 62 -5.466 -9.539 -4.748 438 HD21 LEU 62 HD21 LEU 62 -6.839 -12.385 -2.894 439 HD22 LEU 62 HD22 LEU 62 -8.536 -11.950 -3.080 440 HD23 LEU 62 HD23 LEU 62 -7.518 -11.056 -1.954 441 H GLU 63 HN GLU 63 -8.479 -6.465 -4.978 442 HA GLU 63 HA GLU 63 -6.476 -6.238 -6.915 443 HB2 GLU 63 HB2 GLU 63 -8.597 -5.691 -7.657 444 HB3 GLU 63 HB1 GLU 63 -9.028 -4.899 -6.153 445 HG2 GLU 63 HG2 GLU 63 -8.947 -3.192 -7.685 446 HG3 GLU 63 HG1 GLU 63 -7.423 -3.116 -6.806 447 H LEU 64 HN LEU 64 -7.293 -4.389 -3.999 448 HA LEU 64 HA LEU 64 -5.360 -2.390 -4.135 449 HB2 LEU 64 HB2 LEU 64 -7.085 -3.407 -2.153 450 HB3 LEU 64 HB1 LEU 64 -5.464 -3.619 -1.512 451 HG LEU 64 HG LEU 64 -6.709 -1.020 -2.382 452 HD11 LEU 64 HD11 LEU 64 -5.908 -2.112 0.318 453 HD12 LEU 64 HD12 LEU 64 -7.553 -1.802 -0.249 454 HD13 LEU 64 HD13 LEU 64 -6.438 -0.457 0.009 455 HD21 LEU 64 HD21 LEU 64 -4.318 -1.148 -2.935 456 HD22 LEU 64 HD22 LEU 64 -3.971 -1.581 -1.261 457 HD23 LEU 64 HD23 LEU 64 -4.637 0.009 -1.639 458 H ARG 65 HN ARG 65 -5.279 -5.636 -2.995 459 HA ARG 65 HA ARG 65 -2.636 -5.716 -2.046 460 HB2 ARG 65 HB2 ARG 65 -4.466 -7.294 -1.425 461 HB3 ARG 65 HB1 ARG 65 -4.315 -8.046 -3.013 462 HG2 ARG 65 HG2 ARG 65 -1.875 -7.819 -1.315 463 HG3 ARG 65 HG1 ARG 65 -3.097 -8.990 -0.849 464 HD2 ARG 65 HD2 ARG 65 -2.963 -9.953 -3.143 465 HD3 ARG 65 HD1 ARG 65 -1.630 -8.845 -3.476 466 HE ARG 65 HE ARG 65 -1.149 -10.365 -1.119 467 HH11 ARG 65 HH11 ARG 65 -1.095 -10.604 -4.611 468 HH12 ARG 65 HH12 ARG 65 0.123 -11.834 -4.632 469 HH21 ARG 65 HH21 ARG 65 0.436 -11.990 -1.145 470 HH22 ARG 65 HH22 ARG 65 1.017 -12.619 -2.663 471 H ASN 66 HN ASN 66 -4.097 -6.780 -5.029 472 HA ASN 66 HA ASN 66 -1.875 -7.786 -6.330 473 HB2 ASN 66 HB2 ASN 66 -4.493 -6.646 -7.207 474 HB3 ASN 66 HB1 ASN 66 -3.288 -7.047 -8.422 475 HD21 ASN 66 HD21 ASN 66 -5.910 -8.264 -7.863 476 HD22 ASN 66 HD22 ASN 66 -5.584 -9.939 -7.582 477 H THR 67 HN THR 67 -3.020 -4.433 -6.109 478 HA THR 67 HA THR 67 -1.000 -3.482 -7.907 479 HB THR 67 HB THR 67 -2.722 -1.989 -5.940 480 HG1 THR 67 HG1 THR 67 -4.019 -2.802 -7.542 481 HG21 THR 67 HG21 THR 67 -2.105 0.029 -7.218 482 HG22 THR 67 HG22 THR 67 -0.976 -0.936 -8.169 483 HG23 THR 67 HG23 THR 67 -0.701 -0.707 -6.442 484 H LEU 68 HN LEU 68 -1.425 -3.315 -4.366 485 HA LEU 68 HA LEU 68 0.913 -2.024 -3.658 486 HB2 LEU 68 HB2 LEU 68 -0.116 -4.460 -2.217 487 HB3 LEU 68 HB1 LEU 68 0.775 -3.120 -1.537 488 HG LEU 68 HG LEU 68 -1.974 -2.780 -2.676 489 HD11 LEU 68 HD11 LEU 68 -1.351 -3.210 0.224 490 HD12 LEU 68 HD12 LEU 68 -1.742 -4.553 -0.846 491 HD13 LEU 68 HD13 LEU 68 -2.912 -3.262 -0.596 492 HD21 LEU 68 HD21 LEU 68 -0.600 -0.764 -2.335 493 HD22 LEU 68 HD22 LEU 68 -0.388 -1.215 -0.642 494 HD23 LEU 68 HD23 LEU 68 -1.991 -0.813 -1.254 495 H THR 69 HN THR 69 0.389 -5.507 -3.851 496 HA THR 69 HA THR 69 2.893 -6.424 -3.339 497 HB THR 69 HB THR 69 0.492 -7.387 -4.789 498 HG1 THR 69 HG1 THR 69 2.113 -8.647 -2.823 499 HG21 THR 69 HG21 THR 69 1.536 -9.479 -5.491 500 HG22 THR 69 HG22 THR 69 3.116 -8.847 -5.023 501 HG23 THR 69 HG23 THR 69 2.212 -8.083 -6.339 502 H HIS 70 HN HIS 70 1.601 -5.200 -6.363 503 HA HIS 70 HA HIS 70 3.794 -6.150 -7.922 504 HB2 HIS 70 HB2 HIS 70 1.545 -5.830 -8.889 505 HB3 HIS 70 HB1 HIS 70 1.662 -4.117 -8.568 506 HD1 HIS 70 HD1 HIS 70 2.796 -6.746 -10.946 507 HD2 HIS 70 HD2 HIS 70 3.329 -2.672 -10.332 508 HE1 HIS 70 HE1 HIS 70 3.876 -5.883 -13.045 509 HE2 HIS 70 HE2 HIS 70 4.351 -3.455 -12.573 510 H ASN 71 HN ASN 71 2.949 -3.137 -6.358 511 HA ASN 71 HA ASN 71 5.194 -1.757 -7.525 512 HB2 ASN 71 HB2 ASN 71 3.122 -0.914 -5.534 513 HB3 ASN 71 HB1 ASN 71 4.435 0.132 -6.077 514 HD21 ASN 71 HD21 ASN 71 1.536 -1.512 -6.976 515 HD22 ASN 71 HD22 ASN 71 1.246 -0.643 -8.437 516 H THR 72 HN THR 72 4.691 -3.663 -4.723 517 HA THR 72 HA THR 72 7.065 -2.471 -3.469 518 HB THR 72 HB THR 72 6.209 -3.256 -1.327 519 HG1 THR 72 HG1 THR 72 3.825 -4.031 -2.668 520 HG21 THR 72 HG21 THR 72 3.817 -1.966 -2.553 521 HG22 THR 72 HG22 THR 72 5.346 -1.084 -2.604 522 HG23 THR 72 HG23 THR 72 4.657 -1.571 -1.050 523 H GLY 73 HN GLY 73 5.695 -5.337 -4.802 524 HA2 GLY 73 HA2 GLY 73 6.980 -7.149 -5.521 525 HA3 GLY 73 HA1 GLY 73 8.314 -6.525 -4.575 526 H LEU 74 HN LEU 74 5.565 -6.605 -2.713 527 HA LEU 74 HA LEU 74 6.638 -8.872 -1.247 528 HB2 LEU 74 HB2 LEU 74 5.581 -6.417 -0.506 529 HB3 LEU 74 HB1 LEU 74 4.302 -7.545 -0.119 530 HG LEU 74 HG LEU 74 5.699 -7.195 1.812 531 HD11 LEU 74 HD11 LEU 74 4.784 -9.442 1.500 532 HD12 LEU 74 HD12 LEU 74 6.329 -9.464 2.352 533 HD13 LEU 74 HD13 LEU 74 6.254 -9.910 0.648 534 HD21 LEU 74 HD21 LEU 74 7.707 -6.465 0.709 535 HD22 LEU 74 HD22 LEU 74 7.921 -8.051 -0.028 536 HD23 LEU 74 HD23 LEU 74 8.100 -7.859 1.720 537 H ASP 75 HN ASP 75 5.576 -10.673 -0.782 538 HA ASP 75 HA ASP 75 2.986 -11.057 -2.117 539 HB2 ASP 75 HB2 ASP 75 4.827 -12.099 -3.372 540 HB3 ASP 75 HB1 ASP 75 5.252 -13.015 -1.936 541 H LEU 76 HN LEU 76 2.702 -10.320 0.326 542 HA LEU 76 HA LEU 76 2.460 -12.760 1.939 543 HB2 LEU 76 HB2 LEU 76 3.422 -10.448 2.762 544 HB3 LEU 76 HB1 LEU 76 1.730 -10.041 2.952 545 HG LEU 76 HG LEU 76 1.477 -12.016 4.461 546 HD11 LEU 76 HD11 LEU 76 4.486 -12.113 4.273 547 HD12 LEU 76 HD12 LEU 76 3.379 -13.324 3.629 548 HD13 LEU 76 HD13 LEU 76 3.482 -13.062 5.368 549 HD21 LEU 76 HD21 LEU 76 3.541 -9.984 5.269 550 HD22 LEU 76 HD22 LEU 76 2.611 -11.003 6.367 551 HD23 LEU 76 HD23 LEU 76 1.791 -9.797 5.377 552 HA PRO 77 HA PRO 77 -1.809 -13.813 1.422 553 HB2 PRO 77 HB2 PRO 77 -2.243 -12.770 4.154 554 HB3 PRO 77 HB1 PRO 77 -2.581 -14.366 3.487 555 HG2 PRO 77 HG2 PRO 77 -0.275 -13.519 4.970 556 HG3 PRO 77 HG1 PRO 77 -0.627 -15.127 4.320 557 HD2 PRO 77 HD2 PRO 77 1.424 -13.537 3.439 558 HD3 PRO 77 HD1 PRO 77 0.636 -14.773 2.442 559 HA PRO 78 HA PRO 78 -4.073 -10.149 0.058 560 HB2 PRO 78 HB2 PRO 78 -6.171 -12.213 0.445 561 HB3 PRO 78 HB1 PRO 78 -5.928 -11.115 -0.918 562 HG2 PRO 78 HG2 PRO 78 -5.212 -13.621 -1.185 563 HG3 PRO 78 HG1 PRO 78 -4.094 -12.353 -1.727 564 HD2 PRO 78 HD2 PRO 78 -4.017 -14.007 0.767 565 HD3 PRO 78 HD1 PRO 78 -2.686 -13.506 -0.297 566 H THR 79 HN THR 79 -4.191 -11.486 3.075 567 HA THR 79 HA THR 79 -6.630 -10.081 3.828 568 HB THR 79 HB THR 79 -6.245 -11.261 6.046 569 HG1 THR 79 HG1 THR 79 -4.886 -13.312 5.353 570 HG21 THR 79 HG21 THR 79 -7.908 -12.028 4.471 571 HG22 THR 79 HG22 THR 79 -7.070 -13.430 5.136 572 HG23 THR 79 HG23 THR 79 -6.674 -12.850 3.514 573 H LEU 80 HN LEU 80 -4.244 -8.764 3.019 574 HA LEU 80 HA LEU 80 -2.841 -7.759 5.298 575 HB2 LEU 80 HB2 LEU 80 -2.980 -6.771 2.448 576 HB3 LEU 80 HB1 LEU 80 -1.928 -6.096 3.675 577 HG LEU 80 HG LEU 80 -1.808 -8.903 2.577 578 HD11 LEU 80 HD11 LEU 80 0.339 -8.193 1.661 579 HD12 LEU 80 HD12 LEU 80 0.067 -6.563 2.276 580 HD13 LEU 80 HD13 LEU 80 -0.986 -7.220 1.024 581 HD21 LEU 80 HD21 LEU 80 0.244 -9.098 3.928 582 HD22 LEU 80 HD22 LEU 80 -1.202 -8.909 4.916 583 HD23 LEU 80 HD23 LEU 80 -0.118 -7.539 4.669 584 H ILE 81 HN ILE 81 -5.597 -6.754 3.354 585 HA ILE 81 HA ILE 81 -5.845 -4.158 4.540 586 HB ILE 81 HB ILE 81 -8.112 -5.815 3.400 587 HG12 ILE 81 HG12 ILE 81 -6.492 -5.693 1.665 588 HG13 ILE 81 HG11 ILE 81 -7.656 -4.417 1.344 589 HG21 ILE 81 HG21 ILE 81 -7.804 -2.835 3.391 590 HG22 ILE 81 HG22 ILE 81 -8.602 -3.692 4.717 591 HG23 ILE 81 HG23 ILE 81 -9.253 -3.788 3.078 592 HD11 ILE 81 HD11 ILE 81 -5.306 -3.757 1.038 593 HD12 ILE 81 HD12 ILE 81 -5.060 -3.998 2.772 594 HD13 ILE 81 HD13 ILE 81 -6.195 -2.775 2.202 595 H PHE 82 HN PHE 82 -7.133 -7.307 5.271 596 HA PHE 82 HA PHE 82 -8.780 -6.625 7.415 597 HB2 PHE 82 HB2 PHE 82 -7.340 -9.201 6.753 598 HB3 PHE 82 HB1 PHE 82 -8.613 -9.049 7.952 599 HD1 PHE 82 HD1 PHE 82 -10.783 -9.482 7.340 600 HD2 PHE 82 HD2 PHE 82 -7.994 -8.361 4.317 601 HE1 PHE 82 HE1 PHE 82 -12.483 -9.888 5.620 602 HE2 PHE 82 HE2 PHE 82 -9.696 -8.773 2.599 603 HZ PHE 82 HZ PHE 82 -11.945 -9.535 3.245 604 H ASP 83 HN ASP 83 -5.332 -7.177 7.230 605 HA ASP 83 HA ASP 83 -5.059 -7.162 10.142 606 HB2 ASP 83 HB2 ASP 83 -3.735 -8.768 8.769 607 HB3 ASP 83 HB1 ASP 83 -2.911 -7.407 8.029 608 H HIS 84 HN HIS 84 -4.576 -5.139 7.373 609 HA HIS 84 HA HIS 84 -3.683 -2.941 9.117 610 HB2 HIS 84 HB2 HIS 84 -2.586 -3.739 6.426 611 HB3 HIS 84 HB1 HIS 84 -2.374 -2.123 7.067 612 HD1 HIS 84 HD1 HIS 84 -0.579 -1.816 8.887 613 HD2 HIS 84 HD2 HIS 84 -1.183 -5.783 7.800 614 HE1 HIS 84 HE1 HIS 84 1.306 -3.095 9.933 615 HE2 HIS 84 HE2 HIS 84 0.801 -5.508 9.437 616 HA PRO 85 HA PRO 85 -7.503 -2.093 6.957 617 HB2 PRO 85 HB2 PRO 85 -8.780 -0.789 8.897 618 HB3 PRO 85 HB1 PRO 85 -8.417 -2.513 9.046 619 HG2 PRO 85 HG2 PRO 85 -7.006 -0.171 10.259 620 HG3 PRO 85 HG1 PRO 85 -7.414 -1.732 10.991 621 HD2 PRO 85 HD2 PRO 85 -4.940 -1.072 9.934 622 HD3 PRO 85 HD1 PRO 85 -5.534 -2.726 10.176 623 H THR 86 HN THR 86 -5.098 0.201 7.434 624 HA THR 86 HA THR 86 -6.807 2.177 6.114 625 HB THR 86 HB THR 86 -5.670 4.005 7.243 626 HG1 THR 86 HG1 THR 86 -4.491 3.026 9.293 627 HG21 THR 86 HG21 THR 86 -6.849 1.987 9.149 628 HG22 THR 86 HG22 THR 86 -7.717 3.248 8.273 629 HG23 THR 86 HG23 THR 86 -6.565 3.684 9.533 630 HA PRO 87 HA PRO 87 -3.611 2.518 3.016 631 HB2 PRO 87 HB2 PRO 87 -3.740 5.455 3.355 632 HB3 PRO 87 HB1 PRO 87 -3.885 4.483 1.891 633 HG2 PRO 87 HG2 PRO 87 -6.037 5.594 3.017 634 HG3 PRO 87 HG1 PRO 87 -6.110 3.989 2.269 635 HD2 PRO 87 HD2 PRO 87 -6.040 4.733 5.158 636 HD3 PRO 87 HD1 PRO 87 -6.895 3.404 4.353 637 H HIS 88 HN HIS 88 -3.391 4.543 5.882 638 HA HIS 88 HA HIS 88 -0.588 4.850 5.959 639 HB2 HIS 88 HB2 HIS 88 -2.149 6.135 7.374 640 HB3 HIS 88 HB1 HIS 88 -2.593 4.665 8.220 641 HD1 HIS 88 HD1 HIS 88 0.635 6.614 7.582 642 HD2 HIS 88 HD2 HIS 88 -1.279 4.395 10.530 643 HE1 HIS 88 HE1 HIS 88 2.156 6.691 9.581 644 HE2 HIS 88 HE2 HIS 88 0.873 5.517 11.405 645 H ALA 89 HN ALA 89 -2.728 2.492 7.541 646 HA ALA 89 HA ALA 89 -0.809 0.905 8.753 647 HB1 ALA 89 HB1 ALA 89 -2.504 -0.851 8.775 648 HB2 ALA 89 HB2 ALA 89 -3.461 0.063 7.605 649 HB3 ALA 89 HB3 ALA 89 -3.183 0.717 9.222 650 H LEU 90 HN LEU 90 -2.394 0.251 5.594 651 HA LEU 90 HA LEU 90 -0.923 -1.961 4.859 652 HB2 LEU 90 HB2 LEU 90 -2.728 -0.223 3.636 653 HB3 LEU 90 HB1 LEU 90 -1.308 -0.166 2.635 654 HG LEU 90 HG LEU 90 -1.390 -2.520 2.224 655 HD11 LEU 90 HD11 LEU 90 -3.111 -3.951 3.134 656 HD12 LEU 90 HD12 LEU 90 -3.794 -2.603 4.039 657 HD13 LEU 90 HD13 LEU 90 -2.194 -3.220 4.447 658 HD21 LEU 90 HD21 LEU 90 -3.534 -2.658 1.066 659 HD22 LEU 90 HD22 LEU 90 -2.766 -1.089 0.825 660 HD23 LEU 90 HD23 LEU 90 -4.109 -1.255 1.959 661 H THR 91 HN THR 91 -0.201 1.434 4.377 662 HA THR 91 HA THR 91 2.154 1.118 2.959 663 HB THR 91 HB THR 91 1.117 3.292 4.770 664 HG1 THR 91 HG1 THR 91 0.140 3.418 2.855 665 HG21 THR 91 HG21 THR 91 3.818 3.160 3.481 666 HG22 THR 91 HG22 THR 91 3.394 3.630 5.126 667 HG23 THR 91 HG23 THR 91 3.020 4.703 3.778 668 H GLN 92 HN GLN 92 1.605 1.498 6.446 669 HA GLN 92 HA GLN 92 4.192 1.320 7.393 670 HB2 GLN 92 HB2 GLN 92 1.659 0.204 8.596 671 HB3 GLN 92 HB1 GLN 92 3.162 0.410 9.471 672 HG2 GLN 92 HG2 GLN 92 2.986 2.876 8.864 673 HG3 GLN 92 HG1 GLN 92 1.335 2.510 8.378 674 HE21 GLN 92 HE21 GLN 92 3.538 2.778 11.039 675 HE22 GLN 92 HE22 GLN 92 2.348 2.718 12.293 676 H HIS 93 HN HIS 93 2.006 -1.215 6.385 677 HA HIS 93 HA HIS 93 3.482 -3.431 7.273 678 HB2 HIS 93 HB2 HIS 93 1.209 -3.751 6.622 679 HB3 HIS 93 HB1 HIS 93 1.500 -3.080 5.023 680 HD1 HIS 93 HD1 HIS 93 2.487 -6.125 7.077 681 HD2 HIS 93 HD2 HIS 93 2.032 -4.927 3.115 682 HE1 HIS 93 HE1 HIS 93 2.876 -8.180 5.703 683 HE2 HIS 93 HE2 HIS 93 2.392 -7.481 3.333 684 H LEU 94 HN LEU 94 3.420 -1.905 4.026 685 HA LEU 94 HA LEU 94 5.486 -3.678 3.078 686 HB2 LEU 94 HB2 LEU 94 4.310 -1.174 1.860 687 HB3 LEU 94 HB1 LEU 94 5.323 -2.342 1.028 688 HG LEU 94 HG LEU 94 2.698 -3.102 2.286 689 HD11 LEU 94 HD11 LEU 94 3.041 -2.511 -0.632 690 HD12 LEU 94 HD12 LEU 94 2.500 -1.287 0.537 691 HD13 LEU 94 HD13 LEU 94 1.558 -2.761 0.300 692 HD21 LEU 94 HD21 LEU 94 2.837 -5.003 0.770 693 HD22 LEU 94 HD22 LEU 94 4.289 -4.916 1.766 694 HD23 LEU 94 HD23 LEU 94 4.338 -4.377 0.083 695 H HIS 95 HN HIS 95 5.373 -0.613 4.654 696 HA HIS 95 HA HIS 95 7.932 0.360 3.769 697 HB2 HIS 95 HB2 HIS 95 6.136 1.870 4.641 698 HB3 HIS 95 HB1 HIS 95 6.307 1.115 6.220 699 HD1 HIS 95 HD1 HIS 95 8.398 1.745 7.617 700 HD2 HIS 95 HD2 HIS 95 8.109 3.730 3.975 701 HE1 HIS 95 HE1 HIS 95 10.062 3.613 7.736 702 HE2 HIS 95 HE2 HIS 95 9.645 4.954 5.653 703 H THR 96 HN THR 96 6.687 -1.731 6.233 704 HA THR 96 HA THR 96 9.161 -1.800 7.722 705 HB THR 96 HB THR 96 6.351 -2.617 8.089 706 HG1 THR 96 HG1 THR 96 8.361 -1.806 9.937 707 HG21 THR 96 HG21 THR 96 8.560 -4.206 9.374 708 HG22 THR 96 HG22 THR 96 7.343 -4.795 8.241 709 HG23 THR 96 HG23 THR 96 6.861 -4.249 9.847 710 H ARG 97 HN ARG 97 7.173 -3.843 5.613 711 HA ARG 97 HA ARG 97 8.751 -6.168 5.879 712 HB2 ARG 97 HB2 ARG 97 6.681 -5.289 3.900 713 HB3 ARG 97 HB1 ARG 97 7.543 -6.805 3.691 714 HG2 ARG 97 HG2 ARG 97 6.011 -6.051 6.147 715 HG3 ARG 97 HG1 ARG 97 5.353 -7.032 4.836 716 HD2 ARG 97 HD2 ARG 97 7.131 -8.676 5.211 717 HD3 ARG 97 HD1 ARG 97 7.759 -7.702 6.532 718 HE ARG 97 HE ARG 97 5.224 -8.126 7.304 719 HH11 ARG 97 HH11 ARG 97 7.717 -10.291 6.147 720 HH12 ARG 97 HH12 ARG 97 7.148 -11.647 7.065 721 HH21 ARG 97 HH21 ARG 97 4.469 -9.923 8.522 722 HH22 ARG 97 HH22 ARG 97 5.313 -11.435 8.422 723 H LEU 98 HN LEU 98 9.115 -3.342 3.965 724 HA LEU 98 HA LEU 98 10.710 -4.100 1.886 725 HB2 LEU 98 HB2 LEU 98 10.428 -1.720 3.475 726 HB3 LEU 98 HB1 LEU 98 12.095 -1.940 3.011 727 HG LEU 98 HG LEU 98 11.590 -0.910 1.103 728 HD11 LEU 98 HD11 LEU 98 10.603 -2.175 -0.675 729 HD12 LEU 98 HD12 LEU 98 9.806 -3.254 0.470 730 HD13 LEU 98 HD13 LEU 98 11.567 -3.270 0.318 731 HD21 LEU 98 HD21 LEU 98 9.609 0.008 2.168 732 HD22 LEU 98 HD22 LEU 98 8.686 -1.413 1.675 733 HD23 LEU 98 HD23 LEU 98 9.336 -0.314 0.457 734 H THR 99 HN THR 99 11.716 -3.694 5.231 735 HA THR 99 HA THR 99 14.317 -4.863 4.627 736 HB THR 99 HB THR 99 14.744 -3.095 6.019 737 HG1 THR 99 HG1 THR 99 15.707 -4.576 7.242 738 HG21 THR 99 HG21 THR 99 13.325 -2.329 7.849 739 HG22 THR 99 HG22 THR 99 12.240 -3.695 7.594 740 HG23 THR 99 HG23 THR 99 12.397 -2.452 6.350 741 H GLN 100 HN GLN 100 11.483 -5.403 6.668 742 HA GLN 100 HA GLN 100 12.420 -7.891 7.709 743 HB2 GLN 100 HB2 GLN 100 9.606 -6.838 7.671 744 HB3 GLN 100 HB1 GLN 100 10.251 -8.072 8.739 745 HG2 GLN 100 HG2 GLN 100 11.110 -5.191 8.684 746 HG3 GLN 100 HG1 GLN 100 9.994 -5.906 9.841 747 HE21 GLN 100 HE21 GLN 100 13.306 -5.632 8.836 748 HE22 GLN 100 HE22 GLN 100 14.002 -6.370 10.236 749 H SER 101 HN SER 101 12.805 -8.342 5.154 750 HA SER 101 HA SER 101 11.266 -10.638 4.615 751 HB2 SER 101 HB2 SER 101 9.608 -8.940 3.915 752 HB3 SER 101 HB1 SER 101 10.757 -8.316 2.737 753 HG SER 101 HG SER 101 10.030 -9.788 1.445 754 H HIS 102 HN HIS 102 11.701 -11.148 2.074 755 HA HIS 102 HA HIS 102 14.372 -10.353 1.313 756 HB2 HIS 102 HB2 HIS 102 15.146 -12.716 1.039 757 HB3 HIS 102 HB1 HIS 102 14.957 -12.217 2.701 758 HD1 HIS 102 HD1 HIS 102 14.513 -15.099 0.873 759 HD2 HIS 102 HD2 HIS 102 11.995 -12.976 3.395 760 HE1 HIS 102 HE1 HIS 102 12.795 -16.761 1.656 761 HE2 HIS 102 HE2 HIS 102 11.193 -15.418 3.065 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 3.656 -11.341 -14.132 2 H2 GLY 1 HT2 GLY 1 5.332 -11.132 -14.237 3 H3 GLY 1 HT3 GLY 1 4.305 -9.794 -14.333 4 HA2 GLY 1 HA1 GLY 1 3.603 -10.113 -12.058 5 HA3 GLY 1 HA2 GLY 1 4.642 -11.527 -11.956 6 H ALA 2 HN ALA 2 5.041 -9.686 -10.099 7 HA ALA 2 HA ALA 2 7.081 -7.804 -10.924 8 HB1 ALA 2 HB1 ALA 2 5.458 -7.194 -9.184 9 HB2 ALA 2 HB2 ALA 2 7.116 -7.121 -8.590 10 HB3 ALA 2 HB3 ALA 2 6.083 -8.484 -8.158 11 H ALA 3 HN ALA 3 9.055 -8.509 -11.306 12 HA ALA 3 HA ALA 3 10.122 -10.951 -10.294 13 HB1 ALA 3 HB1 ALA 3 11.720 -8.678 -11.446 14 HB2 ALA 3 HB2 ALA 3 10.782 -9.788 -12.453 15 HB3 ALA 3 HB3 ALA 3 12.106 -10.399 -11.459 16 H SER 4 HN SER 4 11.010 -7.576 -9.791 17 HA SER 4 HA SER 4 11.727 -8.063 -7.046 18 HB2 SER 4 HB2 SER 4 14.061 -7.100 -7.554 19 HB3 SER 4 HB1 SER 4 13.775 -8.790 -7.940 20 HG SER 4 HG SER 4 14.715 -7.938 -9.725 21 H ALA 5 HN ALA 5 9.727 -6.470 -7.923 22 HA ALA 5 HA ALA 5 10.592 -3.789 -8.439 23 HB1 ALA 5 HB1 ALA 5 8.452 -4.614 -9.275 24 HB2 ALA 5 HB2 ALA 5 8.225 -3.209 -8.233 25 HB3 ALA 5 HB3 ALA 5 7.879 -4.827 -7.621 26 H ALA 6 HN ALA 6 10.615 -5.632 -5.692 27 HA ALA 6 HA ALA 6 9.971 -3.698 -3.714 28 HB1 ALA 6 HB1 ALA 6 10.090 -6.076 -3.214 29 HB2 ALA 6 HB2 ALA 6 11.211 -5.170 -2.194 30 HB3 ALA 6 HB3 ALA 6 11.818 -6.084 -3.579 31 H THR 7 HN THR 7 13.182 -4.782 -4.938 32 HA THR 7 HA THR 7 14.515 -2.557 -3.893 33 HB THR 7 HB THR 7 15.660 -4.610 -4.546 34 HG1 THR 7 HG1 THR 7 17.286 -3.280 -5.988 35 HG21 THR 7 HG21 THR 7 15.194 -3.674 -7.376 36 HG22 THR 7 HG22 THR 7 14.477 -5.098 -6.626 37 HG23 THR 7 HG23 THR 7 16.219 -5.028 -6.898 38 H ASP 8 HN ASP 8 12.098 -2.398 -6.106 39 HA ASP 8 HA ASP 8 13.281 -0.141 -7.537 40 HB2 ASP 8 HB2 ASP 8 11.109 -1.994 -8.096 41 HB3 ASP 8 HB1 ASP 8 10.608 -0.309 -8.216 42 H LEU 9 HN LEU 9 10.798 -1.183 -5.346 43 HA LEU 9 HA LEU 9 9.554 1.313 -4.950 44 HB2 LEU 9 HB2 LEU 9 8.405 -0.634 -4.213 45 HB3 LEU 9 HB1 LEU 9 9.762 -1.147 -3.233 46 HG LEU 9 HG LEU 9 9.451 0.976 -1.898 47 HD11 LEU 9 HD11 LEU 9 7.257 2.019 -1.970 48 HD12 LEU 9 HD12 LEU 9 6.805 0.988 -3.329 49 HD13 LEU 9 HD13 LEU 9 8.109 2.179 -3.516 50 HD21 LEU 9 HD21 LEU 9 7.762 -0.001 -0.491 51 HD22 LEU 9 HD22 LEU 9 8.833 -1.255 -1.109 52 HD23 LEU 9 HD23 LEU 9 7.230 -1.045 -1.804 53 H ALA 10 HN ALA 10 11.699 -0.579 -2.951 54 HA ALA 10 HA ALA 10 12.416 1.505 -1.167 55 HB1 ALA 10 HB1 ALA 10 13.915 -1.025 -1.837 56 HB2 ALA 10 HB2 ALA 10 12.701 -0.826 -0.571 57 HB3 ALA 10 HB3 ALA 10 14.243 0.024 -0.458 58 H ALA 11 HN ALA 11 12.999 1.355 -4.356 59 HA ALA 11 HA ALA 11 15.574 2.666 -4.326 60 HB1 ALA 11 HB1 ALA 11 15.182 2.843 -6.772 61 HB2 ALA 11 HB2 ALA 11 13.646 1.997 -6.527 62 HB3 ALA 11 HB3 ALA 11 15.177 1.195 -6.148 63 H ARG 12 HN ARG 12 12.102 3.447 -4.823 64 HA ARG 12 HA ARG 12 12.451 6.215 -5.236 65 HB2 ARG 12 HB2 ARG 12 10.269 4.480 -4.168 66 HB3 ARG 12 HB1 ARG 12 10.094 6.219 -4.108 67 HG2 ARG 12 HG2 ARG 12 8.972 5.607 -6.019 68 HG3 ARG 12 HG1 ARG 12 10.556 6.097 -6.623 69 HD2 ARG 12 HD2 ARG 12 11.252 3.883 -6.909 70 HD3 ARG 12 HD1 ARG 12 9.925 3.280 -5.917 71 HE ARG 12 HE ARG 12 8.561 4.350 -7.911 72 HH11 ARG 12 HH11 ARG 12 11.437 2.371 -8.028 73 HH12 ARG 12 HH12 ARG 12 11.081 1.713 -9.596 74 HH21 ARG 12 HH21 ARG 12 8.077 3.495 -9.970 75 HH22 ARG 12 HH22 ARG 12 9.170 2.368 -10.709 76 H LEU 13 HN LEU 13 12.385 4.122 -2.512 77 HA LEU 13 HA LEU 13 12.085 6.171 -0.518 78 HB2 LEU 13 HB2 LEU 13 12.523 3.221 -0.499 79 HB3 LEU 13 HB1 LEU 13 12.646 4.136 0.984 80 HG LEU 13 HG LEU 13 10.336 4.707 0.937 81 HD11 LEU 13 HD11 LEU 13 9.862 5.307 -1.240 82 HD12 LEU 13 HD12 LEU 13 8.878 3.869 -0.949 83 HD13 LEU 13 HD13 LEU 13 10.379 3.745 -1.883 84 HD21 LEU 13 HD21 LEU 13 9.247 2.544 0.927 85 HD22 LEU 13 HD22 LEU 13 10.830 2.455 1.699 86 HD23 LEU 13 HD23 LEU 13 10.616 1.852 0.056 87 H ASN 14 HN ASN 14 14.577 4.227 -1.914 88 HA ASN 14 HA ASN 14 16.776 4.659 -0.386 89 HB2 ASN 14 HB2 ASN 14 16.171 3.717 -2.900 90 HB3 ASN 14 HB1 ASN 14 17.271 5.054 -3.237 91 HD21 ASN 14 HD21 ASN 14 16.931 1.862 -2.121 92 HD22 ASN 14 HD22 ASN 14 18.600 1.548 -1.802 93 H GLY 15 HN GLY 15 17.853 6.373 0.282 94 HA2 GLY 15 HA2 GLY 15 18.994 8.420 -0.037 95 HA3 GLY 15 HA1 GLY 15 17.918 8.784 -1.379 96 H LEU 16 HN LEU 16 15.603 7.924 0.300 97 HA LEU 16 HA LEU 16 15.128 10.573 1.381 98 HB2 LEU 16 HB2 LEU 16 13.423 8.270 0.572 99 HB3 LEU 16 HB1 LEU 16 12.771 9.436 1.695 100 HG LEU 16 HG LEU 16 12.040 10.021 -0.499 101 HD11 LEU 16 HD11 LEU 16 12.793 12.269 -0.609 102 HD12 LEU 16 HD12 LEU 16 14.298 11.860 0.212 103 HD13 LEU 16 HD13 LEU 16 12.766 11.790 1.093 104 HD21 LEU 16 HD21 LEU 16 13.609 10.539 -2.311 105 HD22 LEU 16 HD22 LEU 16 13.726 8.852 -1.811 106 HD23 LEU 16 HD23 LEU 16 14.951 10.012 -1.294 107 H SER 17 HN SER 17 13.916 10.805 3.384 108 HA SER 17 HA SER 17 14.992 9.175 5.522 109 HB2 SER 17 HB2 SER 17 13.212 11.614 5.446 110 HB3 SER 17 HB1 SER 17 13.650 10.797 6.939 111 HG SER 17 HG SER 17 15.190 12.369 5.239 112 HA PRO 18 HA PRO 18 11.976 6.162 6.146 113 HB2 PRO 18 HB2 PRO 18 11.385 7.443 8.790 114 HB3 PRO 18 HB1 PRO 18 11.671 5.740 8.405 115 HG2 PRO 18 HG2 PRO 18 13.625 7.156 9.471 116 HG3 PRO 18 HG1 PRO 18 13.974 6.064 8.118 117 HD2 PRO 18 HD2 PRO 18 13.735 9.033 8.128 118 HD3 PRO 18 HD1 PRO 18 14.835 7.987 7.208 119 H GLN 19 HN GLN 19 10.770 9.310 7.324 120 HA GLN 19 HA GLN 19 8.017 8.660 6.927 121 HB2 GLN 19 HB2 GLN 19 8.786 10.409 8.492 122 HB3 GLN 19 HB1 GLN 19 9.298 11.380 7.118 123 HG2 GLN 19 HG2 GLN 19 7.202 12.228 7.731 124 HG3 GLN 19 HG1 GLN 19 6.928 11.230 6.302 125 HE21 GLN 19 HE21 GLN 19 6.427 11.530 9.713 126 HE22 GLN 19 HE22 GLN 19 5.249 10.267 9.851 127 H GLN 20 HN GLN 20 10.471 10.150 4.885 128 HA GLN 20 HA GLN 20 8.647 11.052 2.855 129 HB2 GLN 20 HB2 GLN 20 11.622 10.508 2.886 130 HB3 GLN 20 HB1 GLN 20 10.779 11.056 1.441 131 HG2 GLN 20 HG2 GLN 20 10.939 12.546 4.047 132 HG3 GLN 20 HG1 GLN 20 11.894 12.882 2.612 133 HE21 GLN 20 HE21 GLN 20 10.009 14.585 4.053 134 HE22 GLN 20 HE22 GLN 20 8.820 15.065 2.892 135 H GLN 21 HN GLN 21 10.791 8.319 3.325 136 HA GLN 21 HA GLN 21 10.213 6.747 1.125 137 HB2 GLN 21 HB2 GLN 21 10.726 5.960 4.004 138 HB3 GLN 21 HB1 GLN 21 10.813 4.848 2.650 139 HG2 GLN 21 HG2 GLN 21 12.648 6.065 1.707 140 HG3 GLN 21 HG1 GLN 21 12.526 7.307 2.956 141 HE21 GLN 21 HE21 GLN 21 14.784 5.634 2.268 142 HE22 GLN 21 HE22 GLN 21 15.186 4.741 3.695 143 H GLN 22 HN GLN 22 8.519 7.136 4.161 144 HA GLN 22 HA GLN 22 6.549 5.164 3.753 145 HB2 GLN 22 HB2 GLN 22 7.295 6.564 5.867 146 HB3 GLN 22 HB1 GLN 22 5.986 7.591 5.347 147 HG2 GLN 22 HG2 GLN 22 4.560 5.500 5.366 148 HG3 GLN 22 HG1 GLN 22 5.923 4.785 6.218 149 HE21 GLN 22 HE21 GLN 22 3.365 7.122 6.410 150 HE22 GLN 22 HE22 GLN 22 3.465 7.375 8.117 151 H GLN 23 HN GLN 23 6.647 8.638 3.135 152 HA GLN 23 HA GLN 23 4.075 9.094 2.278 153 HB2 GLN 23 HB2 GLN 23 6.637 10.275 1.364 154 HB3 GLN 23 HB1 GLN 23 5.067 10.934 0.927 155 HG2 GLN 23 HG2 GLN 23 4.551 11.288 3.269 156 HG3 GLN 23 HG1 GLN 23 6.095 10.609 3.728 157 HE21 GLN 23 HE21 GLN 23 6.729 12.494 4.766 158 HE22 GLN 23 HE22 GLN 23 7.166 13.926 3.903 159 H THR 24 HN THR 24 6.790 7.868 0.381 160 HA THR 24 HA THR 24 5.599 7.964 -2.149 161 HB THR 24 HB THR 24 7.691 6.259 -0.870 162 HG1 THR 24 HG1 THR 24 8.125 8.431 -1.566 163 HG21 THR 24 HG21 THR 24 6.812 5.993 -3.751 164 HG22 THR 24 HG22 THR 24 6.483 4.807 -2.489 165 HG23 THR 24 HG23 THR 24 8.149 5.139 -2.978 166 H LEU 25 HN LEU 25 5.477 5.453 0.358 167 HA LEU 25 HA LEU 25 3.666 3.770 -1.131 168 HB2 LEU 25 HB2 LEU 25 4.299 3.904 1.798 169 HB3 LEU 25 HB1 LEU 25 3.374 2.635 1.033 170 HG LEU 25 HG LEU 25 6.157 3.155 0.103 171 HD11 LEU 25 HD11 LEU 25 5.432 1.537 2.540 172 HD12 LEU 25 HD12 LEU 25 6.194 3.126 2.577 173 HD13 LEU 25 HD13 LEU 25 7.043 1.756 1.851 174 HD21 LEU 25 HD21 LEU 25 6.060 0.724 -0.257 175 HD22 LEU 25 HD22 LEU 25 4.757 1.562 -1.093 176 HD23 LEU 25 HD23 LEU 25 4.429 0.698 0.408 177 H ALA 26 HN ALA 26 3.507 6.118 1.448 178 HA ALA 26 HA ALA 26 0.733 6.008 1.908 179 HB1 ALA 26 HB1 ALA 26 1.121 7.766 3.399 180 HB2 ALA 26 HB2 ALA 26 2.403 8.453 2.399 181 HB3 ALA 26 HB3 ALA 26 2.704 6.973 3.313 182 H THR 27 HN THR 27 2.100 6.734 -0.826 183 HA THR 27 HA THR 27 0.023 8.617 -1.650 184 HB THR 27 HB THR 27 2.925 8.421 -2.398 185 HG1 THR 27 HG1 THR 27 2.575 10.023 -0.979 186 HG21 THR 27 HG21 THR 27 0.828 9.734 -4.121 187 HG22 THR 27 HG22 THR 27 1.706 8.251 -4.509 188 HG23 THR 27 HG23 THR 27 2.575 9.782 -4.371 189 H LEU 28 HN LEU 28 2.219 6.052 -2.613 190 HA LEU 28 HA LEU 28 0.945 5.276 -4.968 191 HB2 LEU 28 HB2 LEU 28 3.137 4.635 -4.878 192 HB3 LEU 28 HB1 LEU 28 3.031 4.203 -3.187 193 HG LEU 28 HG LEU 28 1.387 2.371 -4.213 194 HD11 LEU 28 HD11 LEU 28 1.690 3.001 -6.492 195 HD12 LEU 28 HD12 LEU 28 2.443 1.423 -6.224 196 HD13 LEU 28 HD13 LEU 28 3.443 2.875 -6.335 197 HD21 LEU 28 HD21 LEU 28 3.025 1.752 -2.699 198 HD22 LEU 28 HD22 LEU 28 4.337 2.296 -3.752 199 HD23 LEU 28 HD23 LEU 28 3.418 0.846 -4.166 200 H VAL 29 HN VAL 29 0.885 4.044 -1.707 201 HA VAL 29 HA VAL 29 -0.742 1.796 -2.220 202 HB VAL 29 HB VAL 29 -0.171 3.353 0.300 203 HG11 VAL 29 HG11 VAL 29 -2.411 2.270 0.408 204 HG12 VAL 29 HG12 VAL 29 -1.255 1.625 1.577 205 HG13 VAL 29 HG13 VAL 29 -1.630 0.715 0.112 206 HG21 VAL 29 HG21 VAL 29 1.672 2.087 -0.744 207 HG22 VAL 29 HG22 VAL 29 0.712 0.612 -0.602 208 HG23 VAL 29 HG23 VAL 29 1.234 1.467 0.849 209 H ALA 30 HN ALA 30 -1.337 5.107 -1.434 210 HA ALA 30 HA ALA 30 -4.168 4.815 -1.160 211 HB1 ALA 30 HB1 ALA 30 -4.110 7.289 -1.188 212 HB2 ALA 30 HB2 ALA 30 -2.371 7.188 -1.456 213 HB3 ALA 30 HB3 ALA 30 -3.073 6.556 0.033 214 H ALA 31 HN ALA 31 -1.891 5.660 -3.625 215 HA ALA 31 HA ALA 31 -3.674 6.431 -5.660 216 HB1 ALA 31 HB1 ALA 31 -1.803 5.876 -7.175 217 HB2 ALA 31 HB2 ALA 31 -0.974 5.073 -5.831 218 HB3 ALA 31 HB3 ALA 31 -1.256 6.809 -5.777 219 H ALA 32 HN ALA 32 -2.276 3.388 -4.682 220 HA ALA 32 HA ALA 32 -3.545 1.603 -6.366 221 HB1 ALA 32 HB1 ALA 32 -2.659 1.449 -3.500 222 HB2 ALA 32 HB2 ALA 32 -1.832 0.841 -4.936 223 HB3 ALA 32 HB3 ALA 32 -3.304 0.049 -4.365 224 H THR 33 HN THR 33 -4.682 2.905 -3.216 225 HA THR 33 HA THR 33 -7.188 1.498 -3.465 226 HB THR 33 HB THR 33 -6.580 3.767 -1.564 227 HG1 THR 33 HG1 THR 33 -4.973 2.083 -1.426 228 HG21 THR 33 HG21 THR 33 -8.891 3.206 -1.548 229 HG22 THR 33 HG22 THR 33 -8.184 2.419 -0.134 230 HG23 THR 33 HG23 THR 33 -8.544 1.477 -1.585 231 H ALA 34 HN ALA 34 -5.946 4.541 -4.484 232 HA ALA 34 HA ALA 34 -8.420 5.840 -4.907 233 HB1 ALA 34 HB1 ALA 34 -6.213 6.983 -4.878 234 HB2 ALA 34 HB2 ALA 34 -7.188 7.368 -6.299 235 HB3 ALA 34 HB3 ALA 34 -5.843 6.230 -6.431 236 H THR 35 HN THR 35 -6.576 3.456 -6.586 237 HA THR 35 HA THR 35 -8.005 3.520 -9.042 238 HB THR 35 HB THR 35 -5.920 1.854 -7.759 239 HG1 THR 35 HG1 THR 35 -4.842 2.859 -9.247 240 HG21 THR 35 HG21 THR 35 -7.619 0.216 -8.442 241 HG22 THR 35 HG22 THR 35 -6.106 0.061 -9.348 242 HG23 THR 35 HG23 THR 35 -7.508 0.823 -10.099 243 H VAL 36 HN VAL 36 -7.978 1.350 -6.221 244 HA VAL 36 HA VAL 36 -9.709 -0.584 -7.144 245 HB VAL 36 HB VAL 36 -10.218 -1.034 -4.736 246 HG11 VAL 36 HG11 VAL 36 -7.444 -0.864 -5.765 247 HG12 VAL 36 HG12 VAL 36 -8.468 -2.281 -5.492 248 HG13 VAL 36 HG13 VAL 36 -7.762 -1.429 -4.125 249 HG21 VAL 36 HG21 VAL 36 -10.187 0.900 -3.583 250 HG22 VAL 36 HG22 VAL 36 -8.765 1.498 -4.431 251 HG23 VAL 36 HG23 VAL 36 -8.595 0.248 -3.197 252 H LEU 37 HN LEU 37 -10.463 2.526 -5.739 253 HA LEU 37 HA LEU 37 -13.299 1.878 -5.629 254 HB2 LEU 37 HB2 LEU 37 -12.031 4.524 -5.021 255 HB3 LEU 37 HB1 LEU 37 -13.551 3.891 -4.425 256 HG LEU 37 HG LEU 37 -10.860 2.741 -3.719 257 HD11 LEU 37 HD11 LEU 37 -11.038 5.022 -2.924 258 HD12 LEU 37 HD12 LEU 37 -11.090 3.870 -1.593 259 HD13 LEU 37 HD13 LEU 37 -12.575 4.642 -2.147 260 HD21 LEU 37 HD21 LEU 37 -13.611 2.327 -2.577 261 HD22 LEU 37 HD22 LEU 37 -12.123 1.647 -1.918 262 HD23 LEU 37 HD23 LEU 37 -12.682 1.164 -3.520 263 H GLY 38 HN GLY 38 -11.137 4.189 -7.233 264 HA2 GLY 38 HA2 GLY 38 -11.609 4.493 -9.663 265 HA3 GLY 38 HA1 GLY 38 -13.286 4.705 -9.188 266 H HIS 39 HN HIS 39 -11.003 6.033 -7.043 267 HA HIS 39 HA HIS 39 -11.876 8.715 -7.647 268 HB2 HIS 39 HB2 HIS 39 -10.074 7.525 -5.550 269 HB3 HIS 39 HB1 HIS 39 -10.187 9.265 -5.765 270 HD1 HIS 39 HD1 HIS 39 -12.495 10.372 -5.167 271 HD2 HIS 39 HD2 HIS 39 -12.186 6.342 -4.216 272 HE1 HIS 39 HE1 HIS 39 -14.390 9.904 -3.584 273 HE2 HIS 39 HE2 HIS 39 -14.274 7.427 -3.143 274 H HIS 40 HN HIS 40 -9.191 6.693 -8.336 275 HA HIS 40 HA HIS 40 -7.351 6.900 -9.613 276 HB2 HIS 40 HB2 HIS 40 -8.713 8.088 -11.247 277 HB3 HIS 40 HB1 HIS 40 -8.462 9.601 -10.385 278 HD1 HIS 40 HD1 HIS 40 -7.367 10.668 -12.470 279 HD2 HIS 40 HD2 HIS 40 -5.339 7.345 -11.009 280 HE1 HIS 40 HE1 HIS 40 -5.135 10.674 -13.624 281 HE2 HIS 40 HE2 HIS 40 -3.872 8.751 -12.604 282 H THR 41 HN THR 41 -7.973 10.021 -7.959 283 HA THR 41 HA THR 41 -5.123 10.225 -7.504 284 HB THR 41 HB THR 41 -6.294 12.263 -8.156 285 HG1 THR 41 HG1 THR 41 -4.992 13.410 -6.938 286 HG21 THR 41 HG21 THR 41 -8.433 11.830 -7.023 287 HG22 THR 41 HG22 THR 41 -7.768 13.407 -6.596 288 HG23 THR 41 HG23 THR 41 -7.624 12.055 -5.472 289 HA PRO 42 HA PRO 42 -5.168 8.588 -3.400 290 HB2 PRO 42 HB2 PRO 42 -2.754 10.133 -2.925 291 HB3 PRO 42 HB1 PRO 42 -2.936 8.388 -3.098 292 HG2 PRO 42 HG2 PRO 42 -1.691 9.957 -4.943 293 HG3 PRO 42 HG1 PRO 42 -2.503 8.428 -5.318 294 HD2 PRO 42 HD2 PRO 42 -3.473 11.225 -5.784 295 HD3 PRO 42 HD1 PRO 42 -3.670 9.751 -6.750 296 H GLU 43 HN GLU 43 -5.249 11.882 -4.251 297 HA GLU 43 HA GLU 43 -4.979 13.108 -1.750 298 HB2 GLU 43 HB2 GLU 43 -6.375 13.974 -4.260 299 HB3 GLU 43 HB1 GLU 43 -6.260 15.002 -2.834 300 HG2 GLU 43 HG2 GLU 43 -3.991 13.853 -4.409 301 HG3 GLU 43 HG1 GLU 43 -4.513 15.537 -4.415 302 H SER 44 HN SER 44 -7.707 11.540 -3.244 303 HA SER 44 HA SER 44 -9.525 12.473 -1.172 304 HB2 SER 44 HB2 SER 44 -10.362 12.298 -3.480 305 HB3 SER 44 HB1 SER 44 -10.008 10.576 -3.460 306 HG SER 44 HG SER 44 -11.470 11.037 -1.332 307 H ILE 45 HN ILE 45 -7.246 10.144 -1.515 308 HA ILE 45 HA ILE 45 -8.631 8.088 0.031 309 HB ILE 45 HB ILE 45 -5.832 8.016 -1.073 310 HG12 ILE 45 HG12 ILE 45 -7.413 8.297 -2.902 311 HG13 ILE 45 HG11 ILE 45 -6.770 6.663 -2.898 312 HG21 ILE 45 HG21 ILE 45 -5.925 5.650 -0.721 313 HG22 ILE 45 HG22 ILE 45 -7.625 5.739 -0.253 314 HG23 ILE 45 HG23 ILE 45 -6.386 6.442 0.790 315 HD11 ILE 45 HD11 ILE 45 -9.456 7.460 -1.818 316 HD12 ILE 45 HD12 ILE 45 -8.809 5.822 -1.926 317 HD13 ILE 45 HD13 ILE 45 -9.154 6.734 -3.396 318 H SER 46 HN SER 46 -8.742 9.316 1.985 319 HA SER 46 HA SER 46 -6.462 10.324 3.312 320 HB2 SER 46 HB2 SER 46 -8.886 9.329 4.759 321 HB3 SER 46 HB1 SER 46 -7.881 10.725 5.123 322 HG SER 46 HG SER 46 -10.124 10.745 3.821 323 HA PRO 47 HA PRO 47 -4.699 6.549 4.568 324 HB2 PRO 47 HB2 PRO 47 -2.827 7.423 6.217 325 HB3 PRO 47 HB1 PRO 47 -2.869 8.019 4.559 326 HG2 PRO 47 HG2 PRO 47 -3.744 9.355 7.071 327 HG3 PRO 47 HG1 PRO 47 -2.968 10.052 5.645 328 HD2 PRO 47 HD2 PRO 47 -5.731 10.020 6.239 329 HD3 PRO 47 HD1 PRO 47 -4.986 10.500 4.693 330 H ALA 48 HN ALA 48 -6.639 8.250 6.622 331 HA ALA 48 HA ALA 48 -6.279 6.329 8.777 332 HB1 ALA 48 HB1 ALA 48 -5.258 8.548 9.189 333 HB2 ALA 48 HB2 ALA 48 -6.469 8.063 10.387 334 HB3 ALA 48 HB3 ALA 48 -6.882 9.239 9.136 335 H THR 49 HN THR 49 -8.265 7.256 6.443 336 HA THR 49 HA THR 49 -10.793 7.383 7.716 337 HB THR 49 HB THR 49 -9.850 6.854 4.914 338 HG1 THR 49 HG1 THR 49 -10.993 8.995 6.326 339 HG21 THR 49 HG21 THR 49 -12.717 6.903 5.825 340 HG22 THR 49 HG22 THR 49 -11.823 5.489 5.260 341 HG23 THR 49 HG23 THR 49 -12.153 6.826 4.154 342 H ALA 50 HN ALA 50 -8.911 4.894 6.173 343 HA ALA 50 HA ALA 50 -8.726 2.644 6.744 344 HB1 ALA 50 HB1 ALA 50 -10.194 2.793 8.706 345 HB2 ALA 50 HB2 ALA 50 -10.522 1.359 7.730 346 HB3 ALA 50 HB3 ALA 50 -11.601 2.756 7.640 347 H PHE 51 HN PHE 51 -8.878 1.084 5.376 348 HA PHE 51 HA PHE 51 -9.787 1.467 2.789 349 HB2 PHE 51 HB2 PHE 51 -9.186 -1.034 4.346 350 HB3 PHE 51 HB1 PHE 51 -9.523 -1.049 2.614 351 HD1 PHE 51 HD1 PHE 51 -8.192 1.266 1.619 352 HD2 PHE 51 HD2 PHE 51 -6.971 -1.427 4.657 353 HE1 PHE 51 HE1 PHE 51 -5.852 1.840 1.164 354 HE2 PHE 51 HE2 PHE 51 -4.624 -0.867 4.218 355 HZ PHE 51 HZ PHE 51 -4.058 0.769 2.464 356 H LYS 52 HN LYS 52 -11.281 -0.394 5.392 357 HA LYS 52 HA LYS 52 -13.578 -1.269 4.215 358 HB2 LYS 52 HB2 LYS 52 -13.269 0.002 6.941 359 HB3 LYS 52 HB1 LYS 52 -14.608 -1.027 6.456 360 HG2 LYS 52 HG2 LYS 52 -13.034 -2.893 6.164 361 HG3 LYS 52 HG1 LYS 52 -11.714 -1.841 6.664 362 HD2 LYS 52 HD2 LYS 52 -14.116 -2.497 8.362 363 HD3 LYS 52 HD1 LYS 52 -12.548 -3.295 8.481 364 HE2 LYS 52 HE2 LYS 52 -11.482 -1.288 9.147 365 HE3 LYS 52 HE1 LYS 52 -12.913 -0.327 8.787 366 HZ1 LYS 52 HZ1 LYS 52 -14.069 -1.458 10.584 367 HZ2 LYS 52 HZ2 LYS 52 -12.674 -0.693 11.151 368 HZ3 LYS 52 HZ3 LYS 52 -12.685 -2.367 10.930 369 H ASP 53 HN ASP 53 -12.867 1.879 5.590 370 HA ASP 53 HA ASP 53 -15.512 2.901 5.208 371 HB2 ASP 53 HB2 ASP 53 -12.920 4.129 6.161 372 HB3 ASP 53 HB1 ASP 53 -14.410 5.058 5.997 373 H LEU 54 HN LEU 54 -12.913 2.440 3.250 374 HA LEU 54 HA LEU 54 -13.272 4.811 1.598 375 HB2 LEU 54 HB2 LEU 54 -11.261 2.611 1.760 376 HB3 LEU 54 HB1 LEU 54 -11.374 3.547 0.289 377 HG LEU 54 HG LEU 54 -10.960 4.803 3.000 378 HD11 LEU 54 HD11 LEU 54 -8.586 4.968 2.386 379 HD12 LEU 54 HD12 LEU 54 -8.894 3.924 0.998 380 HD13 LEU 54 HD13 LEU 54 -9.115 3.305 2.637 381 HD21 LEU 54 HD21 LEU 54 -11.788 6.290 1.290 382 HD22 LEU 54 HD22 LEU 54 -10.520 5.760 0.187 383 HD23 LEU 54 HD23 LEU 54 -10.099 6.658 1.645 384 H GLY 55 HN GLY 55 -14.025 1.419 1.667 385 HA2 GLY 55 HA2 GLY 55 -15.928 0.865 0.127 386 HA3 GLY 55 HA1 GLY 55 -14.948 1.598 -1.136 387 H ILE 56 HN ILE 56 -12.783 0.203 0.805 388 HA ILE 56 HA ILE 56 -12.193 -1.979 -0.863 389 HB ILE 56 HB ILE 56 -11.358 -1.335 1.952 390 HG12 ILE 56 HG12 ILE 56 -10.078 0.062 0.729 391 HG13 ILE 56 HG11 ILE 56 -9.084 -1.371 0.601 392 HG21 ILE 56 HG21 ILE 56 -11.244 -3.613 2.034 393 HG22 ILE 56 HG22 ILE 56 -9.615 -3.147 1.527 394 HG23 ILE 56 HG23 ILE 56 -10.769 -3.752 0.341 395 HD11 ILE 56 HD11 ILE 56 -10.214 -1.867 -1.565 396 HD12 ILE 56 HD12 ILE 56 -9.211 -0.420 -1.539 397 HD13 ILE 56 HD13 ILE 56 -10.965 -0.268 -1.449 398 H ASP 57 HN ASP 57 -12.934 -3.973 -0.931 399 HA ASP 57 HA ASP 57 -13.834 -5.376 1.353 400 HB2 ASP 57 HB2 ASP 57 -15.895 -4.030 0.870 401 HB3 ASP 57 HB1 ASP 57 -15.985 -4.824 -0.701 402 H SER 58 HN SER 58 -12.708 -7.109 0.936 403 HA SER 58 HA SER 58 -11.880 -8.957 -0.043 404 HB2 SER 58 HB2 SER 58 -13.553 -10.238 -1.534 405 HB3 SER 58 HB1 SER 58 -13.990 -9.951 0.151 406 HG SER 58 HG SER 58 -15.243 -8.145 -0.602 407 H LEU 59 HN LEU 59 -13.754 -8.102 -2.907 408 HA LEU 59 HA LEU 59 -11.808 -8.832 -4.742 409 HB2 LEU 59 HB2 LEU 59 -14.008 -6.802 -4.963 410 HB3 LEU 59 HB1 LEU 59 -12.993 -7.257 -6.305 411 HG LEU 59 HG LEU 59 -13.814 -9.564 -6.171 412 HD11 LEU 59 HD11 LEU 59 -15.702 -10.133 -4.759 413 HD12 LEU 59 HD12 LEU 59 -15.646 -8.533 -4.021 414 HD13 LEU 59 HD13 LEU 59 -14.307 -9.658 -3.789 415 HD21 LEU 59 HD21 LEU 59 -15.882 -7.395 -6.344 416 HD22 LEU 59 HD22 LEU 59 -16.140 -9.054 -6.890 417 HD23 LEU 59 HD23 LEU 59 -14.909 -8.051 -7.660 418 H THR 60 HN THR 60 -12.593 -5.606 -3.519 419 HA THR 60 HA THR 60 -10.458 -4.442 -5.060 420 HB THR 60 HB THR 60 -11.077 -2.378 -3.595 421 HG1 THR 60 HG1 THR 60 -13.623 -3.495 -3.445 422 HG21 THR 60 HG21 THR 60 -11.483 -2.634 -5.994 423 HG22 THR 60 HG22 THR 60 -12.848 -1.840 -5.193 424 HG23 THR 60 HG23 THR 60 -12.959 -3.542 -5.649 425 H ALA 61 HN ALA 61 -10.823 -5.854 -1.997 426 HA ALA 61 HA ALA 61 -8.500 -4.593 -0.843 427 HB1 ALA 61 HB1 ALA 61 -8.697 -6.174 0.939 428 HB2 ALA 61 HB2 ALA 61 -9.769 -7.203 -0.018 429 HB3 ALA 61 HB3 ALA 61 -10.319 -5.613 0.520 430 H LEU 62 HN LEU 62 -9.213 -7.490 -2.725 431 HA LEU 62 HA LEU 62 -6.522 -8.439 -2.676 432 HB2 LEU 62 HB2 LEU 62 -8.886 -9.583 -3.230 433 HB3 LEU 62 HB1 LEU 62 -8.372 -9.185 -4.850 434 HG LEU 62 HG LEU 62 -7.612 -11.363 -4.618 435 HD11 LEU 62 HD11 LEU 62 -5.274 -9.743 -3.611 436 HD12 LEU 62 HD12 LEU 62 -5.742 -9.933 -5.303 437 HD13 LEU 62 HD13 LEU 62 -5.196 -11.332 -4.376 438 HD21 LEU 62 HD21 LEU 62 -6.548 -12.226 -2.569 439 HD22 LEU 62 HD22 LEU 62 -8.205 -11.679 -2.317 440 HD23 LEU 62 HD23 LEU 62 -6.855 -10.673 -1.795 441 H GLU 63 HN GLU 63 -8.536 -6.541 -4.980 442 HA GLU 63 HA GLU 63 -6.562 -6.289 -6.943 443 HB2 GLU 63 HB2 GLU 63 -8.686 -5.749 -7.664 444 HB3 GLU 63 HB1 GLU 63 -9.113 -4.970 -6.153 445 HG2 GLU 63 HG2 GLU 63 -9.060 -3.273 -7.726 446 HG3 GLU 63 HG1 GLU 63 -7.569 -3.148 -6.797 447 H LEU 64 HN LEU 64 -7.316 -4.456 -3.996 448 HA LEU 64 HA LEU 64 -5.378 -2.459 -4.181 449 HB2 LEU 64 HB2 LEU 64 -7.088 -3.454 -2.188 450 HB3 LEU 64 HB1 LEU 64 -5.464 -3.692 -1.555 451 HG LEU 64 HG LEU 64 -6.674 -1.073 -2.414 452 HD11 LEU 64 HD11 LEU 64 -6.490 -0.500 -0.063 453 HD12 LEU 64 HD12 LEU 64 -5.810 -2.089 0.291 454 HD13 LEU 64 HD13 LEU 64 -7.481 -1.949 -0.263 455 HD21 LEU 64 HD21 LEU 64 -3.937 -1.685 -1.319 456 HD22 LEU 64 HD22 LEU 64 -4.581 -0.077 -1.661 457 HD23 LEU 64 HD23 LEU 64 -4.292 -1.215 -2.981 458 H ARG 65 HN ARG 65 -5.296 -5.720 -3.105 459 HA ARG 65 HA ARG 65 -2.654 -5.853 -2.167 460 HB2 ARG 65 HB2 ARG 65 -4.377 -7.460 -1.507 461 HB3 ARG 65 HB1 ARG 65 -4.465 -8.064 -3.155 462 HG2 ARG 65 HG2 ARG 65 -1.877 -8.174 -1.652 463 HG3 ARG 65 HG1 ARG 65 -3.132 -9.375 -1.349 464 HD2 ARG 65 HD2 ARG 65 -3.132 -9.980 -3.714 465 HD3 ARG 65 HD1 ARG 65 -1.907 -8.755 -4.036 466 HE ARG 65 HE ARG 65 -0.953 -10.504 -2.052 467 HH11 ARG 65 HH11 ARG 65 -1.732 -10.500 -5.466 468 HH12 ARG 65 HH12 ARG 65 -0.570 -11.721 -5.863 469 HH21 ARG 65 HH21 ARG 65 0.565 -12.118 -2.566 470 HH22 ARG 65 HH22 ARG 65 0.745 -12.641 -4.213 471 H ASN 66 HN ASN 66 -4.129 -6.838 -5.183 472 HA ASN 66 HA ASN 66 -1.973 -7.813 -6.574 473 HB2 ASN 66 HB2 ASN 66 -4.567 -6.594 -7.282 474 HB3 ASN 66 HB1 ASN 66 -3.375 -6.642 -8.567 475 HD21 ASN 66 HD21 ASN 66 -5.480 -8.452 -6.551 476 HD22 ASN 66 HD22 ASN 66 -5.260 -9.971 -7.345 477 H THR 67 HN THR 67 -2.918 -4.419 -6.144 478 HA THR 67 HA THR 67 -0.856 -3.486 -7.914 479 HB THR 67 HB THR 67 -2.439 -1.960 -5.858 480 HG1 THR 67 HG1 THR 67 -3.895 -2.638 -7.364 481 HG21 THR 67 HG21 THR 67 -0.717 -1.019 -8.151 482 HG22 THR 67 HG22 THR 67 -0.420 -0.765 -6.430 483 HG23 THR 67 HG23 THR 67 -1.792 0.022 -7.214 484 H LEU 68 HN LEU 68 -1.311 -3.475 -4.398 485 HA LEU 68 HA LEU 68 0.967 -2.213 -3.567 486 HB2 LEU 68 HB2 LEU 68 -0.109 -4.727 -2.298 487 HB3 LEU 68 HB1 LEU 68 0.829 -3.475 -1.514 488 HG LEU 68 HG LEU 68 -1.914 -3.003 -2.645 489 HD11 LEU 68 HD11 LEU 68 -2.828 -3.433 -0.536 490 HD12 LEU 68 HD12 LEU 68 -1.247 -3.468 0.241 491 HD13 LEU 68 HD13 LEU 68 -1.733 -4.781 -0.828 492 HD21 LEU 68 HD21 LEU 68 -0.493 -1.019 -2.330 493 HD22 LEU 68 HD22 LEU 68 -0.253 -1.470 -0.643 494 HD23 LEU 68 HD23 LEU 68 -1.861 -1.036 -1.220 495 H THR 69 HN THR 69 0.650 -5.742 -3.977 496 HA THR 69 HA THR 69 3.291 -6.317 -3.316 497 HB THR 69 HB THR 69 1.608 -8.070 -3.301 498 HG1 THR 69 HG1 THR 69 3.544 -9.016 -3.608 499 HG21 THR 69 HG21 THR 69 0.697 -9.019 -5.374 500 HG22 THR 69 HG22 THR 69 1.512 -7.759 -6.304 501 HG23 THR 69 HG23 THR 69 0.227 -7.330 -5.172 502 H HIS 70 HN HIS 70 1.915 -5.223 -6.310 503 HA HIS 70 HA HIS 70 4.105 -6.085 -7.927 504 HB2 HIS 70 HB2 HIS 70 1.802 -5.711 -8.840 505 HB3 HIS 70 HB1 HIS 70 1.995 -3.994 -8.522 506 HD1 HIS 70 HD1 HIS 70 2.884 -6.641 -10.956 507 HD2 HIS 70 HD2 HIS 70 3.824 -2.660 -10.222 508 HE1 HIS 70 HE1 HIS 70 4.004 -5.816 -13.053 509 HE2 HIS 70 HE2 HIS 70 4.710 -3.456 -12.524 510 H ASN 71 HN ASN 71 3.207 -3.150 -6.256 511 HA ASN 71 HA ASN 71 5.413 -1.678 -7.388 512 HB2 ASN 71 HB2 ASN 71 3.322 -0.955 -5.367 513 HB3 ASN 71 HB1 ASN 71 4.599 0.145 -5.888 514 HD21 ASN 71 HD21 ASN 71 1.773 -1.612 -6.850 515 HD22 ASN 71 HD22 ASN 71 1.457 -0.721 -8.292 516 H THR 72 HN THR 72 4.932 -3.677 -4.659 517 HA THR 72 HA THR 72 7.269 -2.485 -3.332 518 HB THR 72 HB THR 72 6.334 -3.284 -1.216 519 HG1 THR 72 HG1 THR 72 3.955 -3.941 -2.623 520 HG21 THR 72 HG21 THR 72 4.893 -1.510 -0.987 521 HG22 THR 72 HG22 THR 72 4.020 -1.902 -2.469 522 HG23 THR 72 HG23 THR 72 5.581 -1.086 -2.559 523 H GLY 73 HN GLY 73 5.933 -5.344 -4.725 524 HA2 GLY 73 HA2 GLY 73 7.281 -7.109 -5.458 525 HA3 GLY 73 HA1 GLY 73 8.575 -6.481 -4.466 526 H LEU 74 HN LEU 74 5.798 -6.678 -2.659 527 HA LEU 74 HA LEU 74 6.991 -8.859 -1.181 528 HB2 LEU 74 HB2 LEU 74 5.832 -6.491 -0.450 529 HB3 LEU 74 HB1 LEU 74 4.555 -7.645 -0.122 530 HG LEU 74 HG LEU 74 6.230 -8.984 1.183 531 HD11 LEU 74 HD11 LEU 74 8.285 -7.883 1.840 532 HD12 LEU 74 HD12 LEU 74 7.859 -6.472 0.864 533 HD13 LEU 74 HD13 LEU 74 8.192 -8.016 0.077 534 HD21 LEU 74 HD21 LEU 74 6.047 -7.605 3.144 535 HD22 LEU 74 HD22 LEU 74 4.561 -7.462 2.204 536 HD23 LEU 74 HD23 LEU 74 5.763 -6.172 2.157 537 H ASP 75 HN ASP 75 6.425 -10.782 -1.350 538 HA ASP 75 HA ASP 75 4.030 -11.482 -2.839 539 HB2 ASP 75 HB2 ASP 75 6.278 -12.419 -3.358 540 HB3 ASP 75 HB1 ASP 75 6.227 -13.231 -1.802 541 H LEU 76 HN LEU 76 2.915 -10.619 -0.803 542 HA LEU 76 HA LEU 76 2.399 -12.892 0.988 543 HB2 LEU 76 HB2 LEU 76 2.258 -9.939 1.420 544 HB3 LEU 76 HB1 LEU 76 1.202 -10.986 2.349 545 HG LEU 76 HG LEU 76 3.255 -12.228 3.119 546 HD11 LEU 76 HD11 LEU 76 4.677 -9.871 1.906 547 HD12 LEU 76 HD12 LEU 76 4.781 -11.542 1.353 548 HD13 LEU 76 HD13 LEU 76 5.405 -11.098 2.942 549 HD21 LEU 76 HD21 LEU 76 2.119 -10.598 4.524 550 HD22 LEU 76 HD22 LEU 76 3.082 -9.304 3.809 551 HD23 LEU 76 HD23 LEU 76 3.863 -10.554 4.778 552 HA PRO 77 HA PRO 77 -1.583 -13.431 -0.783 553 HB2 PRO 77 HB2 PRO 77 -2.877 -14.533 1.337 554 HB3 PRO 77 HB1 PRO 77 -1.638 -15.395 0.420 555 HG2 PRO 77 HG2 PRO 77 -1.393 -13.930 3.021 556 HG3 PRO 77 HG1 PRO 77 -0.758 -15.526 2.573 557 HD2 PRO 77 HD2 PRO 77 0.785 -13.321 2.568 558 HD3 PRO 77 HD1 PRO 77 1.009 -14.630 1.389 559 HA PRO 78 HA PRO 78 -4.838 -10.463 0.465 560 HB2 PRO 78 HB2 PRO 78 -6.803 -12.188 1.472 561 HB3 PRO 78 HB1 PRO 78 -6.656 -11.645 -0.199 562 HG2 PRO 78 HG2 PRO 78 -5.722 -14.185 1.058 563 HG3 PRO 78 HG1 PRO 78 -6.430 -13.918 -0.546 564 HD2 PRO 78 HD2 PRO 78 -3.820 -14.305 -0.289 565 HD3 PRO 78 HD1 PRO 78 -4.434 -13.081 -1.419 566 H THR 79 HN THR 79 -6.690 -10.546 2.536 567 HA THR 79 HA THR 79 -6.936 -9.942 4.634 568 HB THR 79 HB THR 79 -6.032 -11.304 6.428 569 HG1 THR 79 HG1 THR 79 -4.213 -12.080 4.468 570 HG21 THR 79 HG21 THR 79 -6.951 -12.901 4.044 571 HG22 THR 79 HG22 THR 79 -7.978 -12.110 5.241 572 HG23 THR 79 HG23 THR 79 -6.959 -13.469 5.713 573 H LEU 80 HN LEU 80 -4.508 -8.905 3.014 574 HA LEU 80 HA LEU 80 -2.818 -7.837 5.062 575 HB2 LEU 80 HB2 LEU 80 -3.243 -6.917 2.215 576 HB3 LEU 80 HB1 LEU 80 -1.974 -6.349 3.280 577 HG LEU 80 HG LEU 80 -2.277 -9.157 2.211 578 HD11 LEU 80 HD11 LEU 80 -0.226 -7.019 1.646 579 HD12 LEU 80 HD12 LEU 80 -1.507 -7.541 0.551 580 HD13 LEU 80 HD13 LEU 80 -0.220 -8.660 1.001 581 HD21 LEU 80 HD21 LEU 80 -1.363 -9.217 4.457 582 HD22 LEU 80 HD22 LEU 80 -0.183 -7.975 4.034 583 HD23 LEU 80 HD23 LEU 80 -0.097 -9.567 3.280 584 H ILE 81 HN ILE 81 -5.675 -6.784 3.321 585 HA ILE 81 HA ILE 81 -5.775 -4.160 4.457 586 HB ILE 81 HB ILE 81 -8.105 -5.777 3.388 587 HG12 ILE 81 HG12 ILE 81 -6.579 -5.719 1.594 588 HG13 ILE 81 HG11 ILE 81 -7.658 -4.366 1.318 589 HG21 ILE 81 HG21 ILE 81 -8.423 -3.551 4.693 590 HG22 ILE 81 HG22 ILE 81 -9.290 -3.827 3.179 591 HG23 ILE 81 HG23 ILE 81 -7.837 -2.820 3.188 592 HD11 ILE 81 HD11 ILE 81 -5.300 -3.845 0.918 593 HD12 ILE 81 HD12 ILE 81 -4.973 -4.159 2.626 594 HD13 ILE 81 HD13 ILE 81 -6.043 -2.838 2.160 595 H PHE 82 HN PHE 82 -7.069 -7.284 5.290 596 HA PHE 82 HA PHE 82 -8.653 -6.489 7.459 597 HB2 PHE 82 HB2 PHE 82 -7.367 -9.138 6.785 598 HB3 PHE 82 HB1 PHE 82 -8.568 -8.911 8.048 599 HD1 PHE 82 HD1 PHE 82 -10.777 -9.248 7.558 600 HD2 PHE 82 HD2 PHE 82 -8.101 -8.274 4.391 601 HE1 PHE 82 HE1 PHE 82 -12.588 -9.560 5.928 602 HE2 PHE 82 HE2 PHE 82 -9.911 -8.591 2.761 603 HZ PHE 82 HZ PHE 82 -12.159 -9.234 3.527 604 H ASP 83 HN ASP 83 -5.252 -7.243 7.165 605 HA ASP 83 HA ASP 83 -4.848 -7.180 10.048 606 HB2 ASP 83 HB2 ASP 83 -3.587 -8.768 8.579 607 HB3 ASP 83 HB1 ASP 83 -2.791 -7.386 7.842 608 H HIS 84 HN HIS 84 -4.498 -5.161 7.256 609 HA HIS 84 HA HIS 84 -3.626 -2.931 8.969 610 HB2 HIS 84 HB2 HIS 84 -2.596 -3.671 6.233 611 HB3 HIS 84 HB1 HIS 84 -2.344 -2.090 6.943 612 HD1 HIS 84 HD1 HIS 84 -0.546 -1.916 8.800 613 HD2 HIS 84 HD2 HIS 84 -1.152 -5.772 7.390 614 HE1 HIS 84 HE1 HIS 84 1.364 -3.269 9.704 615 HE2 HIS 84 HE2 HIS 84 0.860 -5.634 9.005 616 HA PRO 85 HA PRO 85 -7.486 -2.179 6.755 617 HB2 PRO 85 HB2 PRO 85 -8.879 -1.053 8.726 618 HB3 PRO 85 HB1 PRO 85 -8.479 -2.776 8.757 619 HG2 PRO 85 HG2 PRO 85 -7.169 -0.502 10.201 620 HG3 PRO 85 HG1 PRO 85 -7.582 -2.119 10.803 621 HD2 PRO 85 HD2 PRO 85 -5.075 -1.359 9.922 622 HD3 PRO 85 HD1 PRO 85 -5.658 -3.034 9.981 623 H THR 86 HN THR 86 -5.147 0.115 7.425 624 HA THR 86 HA THR 86 -6.870 2.144 6.206 625 HB THR 86 HB THR 86 -5.772 3.922 7.445 626 HG1 THR 86 HG1 THR 86 -4.551 2.752 9.424 627 HG21 THR 86 HG21 THR 86 -7.783 3.019 8.457 628 HG22 THR 86 HG22 THR 86 -6.630 3.456 9.717 629 HG23 THR 86 HG23 THR 86 -6.844 1.765 9.264 630 HA PRO 87 HA PRO 87 -3.676 2.561 3.120 631 HB2 PRO 87 HB2 PRO 87 -3.821 5.490 3.465 632 HB3 PRO 87 HB1 PRO 87 -3.995 4.519 2.005 633 HG2 PRO 87 HG2 PRO 87 -6.123 5.635 3.186 634 HG3 PRO 87 HG1 PRO 87 -6.213 4.047 2.406 635 HD2 PRO 87 HD2 PRO 87 -6.116 4.730 5.309 636 HD3 PRO 87 HD1 PRO 87 -6.971 3.414 4.481 637 H HIS 88 HN HIS 88 -3.485 4.514 6.024 638 HA HIS 88 HA HIS 88 -0.679 4.882 6.085 639 HB2 HIS 88 HB2 HIS 88 -2.337 6.095 7.511 640 HB3 HIS 88 HB1 HIS 88 -2.618 4.607 8.398 641 HD1 HIS 88 HD1 HIS 88 0.310 6.918 7.618 642 HD2 HIS 88 HD2 HIS 88 -1.105 4.407 10.611 643 HE1 HIS 88 HE1 HIS 88 1.914 7.175 9.531 644 HE2 HIS 88 HE2 HIS 88 1.123 5.545 11.273 645 H ALA 89 HN ALA 89 -2.791 2.462 7.602 646 HA ALA 89 HA ALA 89 -0.862 0.860 8.776 647 HB1 ALA 89 HB1 ALA 89 -2.530 -0.910 8.752 648 HB2 ALA 89 HB2 ALA 89 -3.489 0.002 7.582 649 HB3 ALA 89 HB3 ALA 89 -3.246 0.636 9.213 650 H LEU 90 HN LEU 90 -2.431 0.239 5.593 651 HA LEU 90 HA LEU 90 -0.901 -1.927 4.828 652 HB2 LEU 90 HB2 LEU 90 -2.764 -0.247 3.623 653 HB3 LEU 90 HB1 LEU 90 -1.349 -0.114 2.625 654 HG LEU 90 HG LEU 90 -1.329 -2.475 2.191 655 HD11 LEU 90 HD11 LEU 90 -3.738 -2.637 3.995 656 HD12 LEU 90 HD12 LEU 90 -2.127 -3.250 4.369 657 HD13 LEU 90 HD13 LEU 90 -3.051 -3.957 3.049 658 HD21 LEU 90 HD21 LEU 90 -2.711 -1.119 0.752 659 HD22 LEU 90 HD22 LEU 90 -4.063 -1.251 1.881 660 HD23 LEU 90 HD23 LEU 90 -3.488 -2.679 1.026 661 H THR 91 HN THR 91 -0.255 1.491 4.422 662 HA THR 91 HA THR 91 2.081 1.240 2.946 663 HB THR 91 HB THR 91 1.035 3.374 4.803 664 HG1 THR 91 HG1 THR 91 -0.004 3.498 2.919 665 HG21 THR 91 HG21 THR 91 2.868 4.841 3.793 666 HG22 THR 91 HG22 THR 91 3.689 3.325 3.408 667 HG23 THR 91 HG23 THR 91 3.324 3.730 5.082 668 H GLN 92 HN GLN 92 1.571 1.601 6.440 669 HA GLN 92 HA GLN 92 4.167 1.397 7.355 670 HB2 GLN 92 HB2 GLN 92 1.604 0.354 8.559 671 HB3 GLN 92 HB1 GLN 92 3.122 0.435 9.436 672 HG2 GLN 92 HG2 GLN 92 3.077 2.942 8.811 673 HG3 GLN 92 HG1 GLN 92 1.376 2.652 8.471 674 HE21 GLN 92 HE21 GLN 92 1.102 0.644 10.556 675 HE22 GLN 92 HE22 GLN 92 1.097 1.504 12.055 676 H HIS 93 HN HIS 93 1.901 -1.146 6.510 677 HA HIS 93 HA HIS 93 3.324 -3.405 7.234 678 HB2 HIS 93 HB2 HIS 93 1.075 -3.627 6.486 679 HB3 HIS 93 HB1 HIS 93 1.426 -2.852 4.951 680 HD1 HIS 93 HD1 HIS 93 2.176 -6.115 6.770 681 HD2 HIS 93 HD2 HIS 93 1.896 -4.575 2.920 682 HE1 HIS 93 HE1 HIS 93 2.321 -8.093 5.234 683 HE2 HIS 93 HE2 HIS 93 1.975 -7.155 2.930 684 H LEU 94 HN LEU 94 3.398 -1.817 4.000 685 HA LEU 94 HA LEU 94 5.510 -3.573 3.130 686 HB2 LEU 94 HB2 LEU 94 4.415 -1.042 1.884 687 HB3 LEU 94 HB1 LEU 94 5.425 -2.230 1.086 688 HG LEU 94 HG LEU 94 2.728 -2.926 2.224 689 HD11 LEU 94 HD11 LEU 94 2.674 -1.089 0.471 690 HD12 LEU 94 HD12 LEU 94 1.682 -2.520 0.196 691 HD13 LEU 94 HD13 LEU 94 3.208 -2.335 -0.675 692 HD21 LEU 94 HD21 LEU 94 4.299 -4.775 1.755 693 HD22 LEU 94 HD22 LEU 94 4.409 -4.235 0.076 694 HD23 LEU 94 HD23 LEU 94 2.874 -4.825 0.719 695 H HIS 95 HN HIS 95 5.395 -0.528 4.763 696 HA HIS 95 HA HIS 95 7.998 0.387 3.874 697 HB2 HIS 95 HB2 HIS 95 6.210 1.987 4.557 698 HB3 HIS 95 HB1 HIS 95 6.287 1.342 6.191 699 HD1 HIS 95 HD1 HIS 95 8.313 2.015 7.641 700 HD2 HIS 95 HD2 HIS 95 8.283 3.761 3.863 701 HE1 HIS 95 HE1 HIS 95 10.049 3.823 7.720 702 HE2 HIS 95 HE2 HIS 95 9.842 4.998 5.507 703 H THR 96 HN THR 96 6.636 -1.580 6.358 704 HA THR 96 HA THR 96 9.019 -1.566 7.993 705 HB THR 96 HB THR 96 6.217 -2.422 8.236 706 HG1 THR 96 HG1 THR 96 6.626 -1.815 10.405 707 HG21 THR 96 HG21 THR 96 8.352 -4.104 9.533 708 HG22 THR 96 HG22 THR 96 7.202 -4.623 8.297 709 HG23 THR 96 HG23 THR 96 6.627 -4.164 9.899 710 H ARG 97 HN ARG 97 7.208 -3.606 5.777 711 HA ARG 97 HA ARG 97 8.814 -5.902 6.085 712 HB2 ARG 97 HB2 ARG 97 6.856 -5.075 3.982 713 HB3 ARG 97 HB1 ARG 97 7.652 -6.633 3.974 714 HG2 ARG 97 HG2 ARG 97 5.961 -5.559 6.199 715 HG3 ARG 97 HG1 ARG 97 5.393 -6.667 4.947 716 HD2 ARG 97 HD2 ARG 97 7.627 -7.223 6.891 717 HD3 ARG 97 HD1 ARG 97 5.976 -7.795 7.038 718 HE ARG 97 HE ARG 97 7.293 -8.514 4.576 719 HH11 ARG 97 HH11 ARG 97 6.606 -9.456 7.874 720 HH12 ARG 97 HH12 ARG 97 6.835 -11.147 7.570 721 HH21 ARG 97 HH21 ARG 97 7.614 -10.747 4.179 722 HH22 ARG 97 HH22 ARG 97 7.409 -11.878 5.479 723 H LEU 98 HN LEU 98 9.263 -3.027 4.264 724 HA LEU 98 HA LEU 98 10.996 -3.758 2.286 725 HB2 LEU 98 HB2 LEU 98 10.712 -1.417 3.981 726 HB3 LEU 98 HB1 LEU 98 12.354 -1.654 3.446 727 HG LEU 98 HG LEU 98 11.787 -0.526 1.610 728 HD11 LEU 98 HD11 LEU 98 11.781 -2.839 0.720 729 HD12 LEU 98 HD12 LEU 98 10.759 -1.730 -0.193 730 HD13 LEU 98 HD13 LEU 98 10.025 -2.876 0.929 731 HD21 LEU 98 HD21 LEU 98 9.507 0.048 1.024 732 HD22 LEU 98 HD22 LEU 98 9.829 0.345 2.733 733 HD23 LEU 98 HD23 LEU 98 8.906 -1.076 2.242 734 H THR 99 HN THR 99 11.884 -3.211 5.660 735 HA THR 99 HA THR 99 14.454 -4.492 5.252 736 HB THR 99 HB THR 99 14.628 -2.600 6.621 737 HG1 THR 99 HG1 THR 99 15.856 -3.838 7.807 738 HG21 THR 99 HG21 THR 99 13.224 -2.140 8.565 739 HG22 THR 99 HG22 THR 99 12.307 -3.612 8.252 740 HG23 THR 99 HG23 THR 99 12.258 -2.280 7.092 741 H GLN 100 HN GLN 100 11.443 -5.023 7.002 742 HA GLN 100 HA GLN 100 12.225 -7.569 8.043 743 HB2 GLN 100 HB2 GLN 100 9.549 -6.221 7.818 744 HB3 GLN 100 HB1 GLN 100 9.805 -7.749 8.641 745 HG2 GLN 100 HG2 GLN 100 11.285 -5.246 9.375 746 HG3 GLN 100 HG1 GLN 100 9.722 -5.681 10.078 747 HE21 GLN 100 HE21 GLN 100 13.100 -6.455 9.906 748 HE22 GLN 100 HE22 GLN 100 13.116 -7.576 11.222 749 H SER 101 HN SER 101 12.972 -8.252 5.822 750 HA SER 101 HA SER 101 11.058 -10.122 4.795 751 HB2 SER 101 HB2 SER 101 11.354 -9.316 2.409 752 HB3 SER 101 HB1 SER 101 10.361 -8.279 3.434 753 HG SER 101 HG SER 101 11.781 -6.741 3.275 754 H HIS 102 HN HIS 102 12.273 -11.013 2.578 755 HA HIS 102 HA HIS 102 15.111 -11.187 2.969 756 HB2 HIS 102 HB2 HIS 102 15.149 -13.663 3.172 757 HB3 HIS 102 HB1 HIS 102 14.466 -12.869 4.568 758 HD1 HIS 102 HD1 HIS 102 13.975 -15.859 3.147 759 HD2 HIS 102 HD2 HIS 102 11.371 -12.664 3.639 760 HE1 HIS 102 HE1 HIS 102 11.671 -16.857 3.104 761 HE2 HIS 102 HE2 HIS 102 10.100 -14.896 3.294
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