NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504777 | 2en1 | 10230 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.173 10.363 19.222 2 HA2 GLY 1 1HA GLY 1 2.266 9.710 17.201 3 HA3 GLY 1 2HA GLY 1 0.784 10.063 16.324 4 H SER 2 H SER 2 3.805 11.247 17.351 5 HA SER 2 HA SER 2 3.151 13.891 16.226 6 HB2 SER 2 1HB SER 2 4.580 14.965 17.815 7 HB3 SER 2 2HB SER 2 3.530 13.886 18.732 8 HG SER 2 HG SER 2 5.347 12.335 18.517 9 H SER 3 H SER 3 4.119 14.076 14.324 10 HA SER 3 HA SER 3 5.586 13.711 12.599 11 HB2 SER 3 1HB SER 3 6.653 15.542 13.879 12 HB3 SER 3 2HB SER 3 7.562 14.348 14.805 13 HG SER 3 HG SER 3 8.683 15.296 12.961 14 H GLY 4 H GLY 4 4.813 11.291 13.715 15 HA2 GLY 4 1HA GLY 4 6.882 9.588 14.521 16 HA3 GLY 4 2HA GLY 4 5.397 9.072 13.735 17 H SER 5 H SER 5 5.726 10.389 11.272 18 HA SER 5 HA SER 5 8.157 9.118 10.200 19 HB2 SER 5 1HB SER 5 5.313 8.803 9.341 20 HB3 SER 5 2HB SER 5 6.567 8.786 8.101 21 HG SER 5 HG SER 5 5.999 6.697 9.063 22 H SER 6 H SER 6 9.129 11.205 10.241 23 HA SER 6 HA SER 6 8.030 13.463 8.946 24 HB2 SER 6 1HB SER 6 10.272 14.425 9.123 25 HB3 SER 6 2HB SER 6 9.839 13.609 10.625 26 HG SER 6 HG SER 6 12.013 13.227 9.446 27 H GLY 7 H GLY 7 10.427 11.056 7.887 28 HA2 GLY 7 1HA GLY 7 9.849 10.439 5.433 29 HA3 GLY 7 2HA GLY 7 10.235 12.131 5.158 30 H SER 8 H SER 8 11.510 8.990 6.000 31 HA SER 8 HA SER 8 14.196 9.972 5.310 32 HB2 SER 8 1HB SER 8 13.522 8.041 7.544 33 HB3 SER 8 2HB SER 8 15.153 8.464 7.024 34 HG SER 8 HG SER 8 13.956 9.660 8.871 35 H GLY 9 H GLY 9 14.760 9.018 3.472 36 HA2 GLY 9 1HA GLY 9 15.473 7.174 2.203 37 HA3 GLY 9 2HA GLY 9 14.545 6.118 3.257 38 H GLU 10 H GLU 10 14.733 6.756 0.212 39 HA GLU 10 HA GLU 10 11.831 7.003 -0.228 40 HB2 GLU 10 1HB GLU 10 14.194 7.953 -1.780 41 HB3 GLU 10 2HB GLU 10 12.750 7.489 -2.670 42 HG2 GLU 10 1HG GLU 10 12.668 9.835 -2.293 43 HG3 GLU 10 2HG GLU 10 11.449 9.075 -1.272 44 H LYS 11 H LYS 11 10.807 5.584 -1.644 45 HA LYS 11 HA LYS 11 12.350 3.158 -2.290 46 HB2 LYS 11 1HB LYS 11 9.598 3.569 -1.231 47 HB3 LYS 11 2HB LYS 11 9.852 2.222 -2.333 48 HG2 LYS 11 1HG LYS 11 11.273 1.125 -0.876 49 HG3 LYS 11 2HG LYS 11 11.658 2.598 0.018 50 HD2 LYS 11 1HD LYS 11 9.152 2.582 0.660 51 HD3 LYS 11 2HD LYS 11 9.196 0.892 0.154 52 HE2 LYS 11 1HE LYS 11 11.023 2.126 2.212 53 HE3 LYS 11 2HE LYS 11 9.568 1.203 2.584 54 HZ1 LYS 11 3HZ LYS 11 12.073 0.241 1.340 55 HZ2 LYS 11 1HZ LYS 11 10.633 -0.643 1.249 56 HZ3 LYS 11 2HZ LYS 11 11.326 -0.308 2.755 57 HA PRO 12 HA PRO 12 11.531 4.205 -6.523 58 HB2 PRO 12 1HB PRO 12 12.492 1.908 -7.604 59 HB3 PRO 12 2HB PRO 12 13.540 3.193 -6.992 60 HG2 PRO 12 1HG PRO 12 12.710 0.638 -5.673 61 HG3 PRO 12 2HG PRO 12 14.308 1.404 -5.720 62 HD2 PRO 12 1HD PRO 12 12.665 1.592 -3.576 63 HD3 PRO 12 2HD PRO 12 13.784 2.891 -4.039 64 H PHE 13 H PHE 13 10.145 1.640 -4.736 65 HA PHE 13 HA PHE 13 8.214 1.125 -6.902 66 HB2 PHE 13 1HB PHE 13 8.950 -0.709 -4.611 67 HB3 PHE 13 2HB PHE 13 7.826 -1.074 -5.915 68 HD1 PHE 13 HD1 PHE 13 11.341 -0.688 -4.990 69 HD2 PHE 13 HD2 PHE 13 8.619 -1.625 -8.125 70 HE1 PHE 13 HE1 PHE 13 13.196 -1.602 -6.323 71 HE2 PHE 13 HE2 PHE 13 10.469 -2.541 -9.463 72 HZ PHE 13 HZ PHE 13 12.761 -2.531 -8.562 73 H LYS 14 H LYS 14 6.136 1.594 -6.543 74 HA LYS 14 HA LYS 14 5.187 1.923 -3.792 75 HB2 LYS 14 1HB LYS 14 5.832 4.160 -4.525 76 HB3 LYS 14 2HB LYS 14 4.856 3.987 -5.978 77 HG2 LYS 14 1HG LYS 14 2.870 3.688 -4.418 78 HG3 LYS 14 2HG LYS 14 3.936 4.269 -3.136 79 HD2 LYS 14 1HD LYS 14 4.353 6.314 -4.466 80 HD3 LYS 14 2HD LYS 14 3.194 5.737 -5.667 81 HE2 LYS 14 1HE LYS 14 1.391 6.106 -4.302 82 HE3 LYS 14 2HE LYS 14 2.329 5.894 -2.824 83 HZ1 LYS 14 3HZ LYS 14 1.923 8.283 -4.439 84 HZ2 LYS 14 1HZ LYS 14 3.462 8.083 -3.766 85 HZ3 LYS 14 2HZ LYS 14 2.100 8.125 -2.764 86 H CYS 15 H CYS 15 3.257 1.014 -3.481 87 HA CYS 15 HA CYS 15 1.920 -0.294 -5.642 88 HB2 CYS 15 1HB CYS 15 2.051 -1.188 -3.304 89 HB3 CYS 15 2HB CYS 15 0.944 0.087 -2.806 90 H GLU 16 H GLU 16 0.953 1.018 -7.092 91 HA GLU 16 HA GLU 16 -0.286 3.468 -6.539 92 HB2 GLU 16 1HB GLU 16 -0.885 1.575 -8.819 93 HB3 GLU 16 2HB GLU 16 -1.263 3.291 -8.769 94 HG2 GLU 16 1HG GLU 16 1.278 3.606 -8.446 95 HG3 GLU 16 2HG GLU 16 1.394 1.954 -9.052 96 H GLU 17 H GLU 17 -1.398 0.223 -6.170 97 HA GLU 17 HA GLU 17 -4.159 0.544 -6.338 98 HB2 GLU 17 1HB GLU 17 -2.714 -1.251 -4.385 99 HB3 GLU 17 2HB GLU 17 -4.341 -1.463 -5.014 100 HG2 GLU 17 1HG GLU 17 -3.152 -1.540 -7.322 101 HG3 GLU 17 2HG GLU 17 -1.719 -1.905 -6.363 102 H CYS 18 H CYS 18 -2.066 0.792 -3.465 103 HA CYS 18 HA CYS 18 -4.202 2.354 -2.165 104 HB2 CYS 18 1HB CYS 18 -3.334 1.530 -0.005 105 HB3 CYS 18 2HB CYS 18 -3.893 0.218 -1.036 106 H GLY 19 H GLY 19 -0.716 1.947 -2.584 107 HA2 GLY 19 1HA GLY 19 0.414 4.146 -3.064 108 HA3 GLY 19 2HA GLY 19 -0.356 4.705 -1.587 109 H LYS 20 H LYS 20 0.670 1.461 -1.495 110 HA LYS 20 HA LYS 20 2.473 1.916 0.625 111 HB2 LYS 20 1HB LYS 20 1.644 -0.417 -1.014 112 HB3 LYS 20 2HB LYS 20 3.176 -0.554 -0.160 113 HG2 LYS 20 1HG LYS 20 1.719 0.313 1.865 114 HG3 LYS 20 2HG LYS 20 0.412 -0.387 0.907 115 HD2 LYS 20 1HD LYS 20 1.030 -2.206 2.162 116 HD3 LYS 20 2HD LYS 20 2.063 -2.429 0.748 117 HE2 LYS 20 1HE LYS 20 3.964 -1.690 1.871 118 HE3 LYS 20 2HE LYS 20 3.025 -0.870 3.118 119 HZ1 LYS 20 3HZ LYS 20 2.597 -3.721 2.978 120 HZ2 LYS 20 1HZ LYS 20 2.858 -2.730 4.324 121 HZ3 LYS 20 2HZ LYS 20 4.171 -3.279 3.411 122 H ARG 21 H ARG 21 4.746 0.665 0.379 123 HA ARG 21 HA ARG 21 6.091 1.419 -2.089 124 HB2 ARG 21 1HB ARG 21 6.968 2.496 0.598 125 HB3 ARG 21 2HB ARG 21 7.824 2.706 -0.924 126 HG2 ARG 21 1HG ARG 21 5.561 3.768 -1.700 127 HG3 ARG 21 2HG ARG 21 5.315 3.987 0.034 128 HD2 ARG 21 1HD ARG 21 7.778 4.933 -0.097 129 HD3 ARG 21 2HD ARG 21 7.329 5.219 -1.778 130 HE ARG 21 HE ARG 21 5.437 6.194 0.178 131 HH11 ARG 21 1HH1 ARG 21 8.225 6.910 -1.780 132 HH12 ARG 21 2HH1 ARG 21 7.977 8.624 -1.737 133 HH21 ARG 21 1HH2 ARG 21 5.100 8.449 0.241 134 HH22 ARG 21 2HH2 ARG 21 6.200 9.498 -0.587 135 H PHE 22 H PHE 22 8.217 0.499 -2.292 136 HA PHE 22 HA PHE 22 9.116 -1.379 -0.288 137 HB2 PHE 22 1HB PHE 22 8.493 -2.477 -3.024 138 HB3 PHE 22 2HB PHE 22 8.904 -3.365 -1.561 139 HD1 PHE 22 HD2 PHE 22 6.278 -1.232 -3.079 140 HD2 PHE 22 HD1 PHE 22 7.236 -4.166 -0.148 141 HE1 PHE 22 HE2 PHE 22 3.884 -1.514 -2.583 142 HE2 PHE 22 HE1 PHE 22 4.844 -4.453 0.352 143 HZ PHE 22 HZ PHE 22 3.165 -3.125 -0.866 144 H THR 23 H THR 23 11.233 -2.189 -0.691 145 HA THR 23 HA THR 23 12.850 -0.360 -2.225 146 HB THR 23 HB THR 23 13.504 -1.290 0.038 147 HG1 THR 23 HG1 THR 23 15.531 -0.906 -0.526 148 HG21 THR 23 3HG2 THR 23 14.197 -3.465 0.318 149 HG22 THR 23 1HG2 THR 23 14.569 -3.682 -1.391 150 HG23 THR 23 2HG2 THR 23 12.892 -3.694 -0.845 151 H GLN 24 H GLN 24 11.270 -3.255 -2.879 152 HA GLN 24 HA GLN 24 12.763 -3.550 -5.368 153 HB2 GLN 24 1HB GLN 24 12.658 -5.548 -3.185 154 HB3 GLN 24 2HB GLN 24 12.413 -6.166 -4.813 155 HG2 GLN 24 1HG GLN 24 14.804 -4.708 -3.731 156 HG3 GLN 24 2HG GLN 24 14.717 -6.363 -4.332 157 HE21 GLN 24 1HE2 GLN 24 13.209 -5.887 -6.642 158 HE22 GLN 24 2HE2 GLN 24 14.183 -4.996 -7.756 159 H ASN 25 H ASN 25 11.608 -4.694 -7.015 160 HA ASN 25 HA ASN 25 8.845 -4.124 -7.056 161 HB2 ASN 25 1HB ASN 25 8.881 -4.828 -9.252 162 HB3 ASN 25 2HB ASN 25 10.590 -4.485 -9.003 163 HD21 ASN 25 1HD2 ASN 25 11.940 -6.336 -8.341 164 HD22 ASN 25 2HD2 ASN 25 11.580 -7.885 -9.016 165 H SER 26 H SER 26 10.622 -7.182 -6.725 166 HA SER 26 HA SER 26 8.587 -9.001 -6.731 167 HB2 SER 26 1HB SER 26 11.021 -8.941 -4.935 168 HB3 SER 26 2HB SER 26 9.975 -10.347 -5.134 169 HG SER 26 HG SER 26 10.973 -9.148 -7.443 170 H GLN 27 H GLN 27 9.458 -6.778 -4.158 171 HA GLN 27 HA GLN 27 7.746 -7.917 -2.187 172 HB2 GLN 27 1HB GLN 27 8.992 -5.173 -2.402 173 HB3 GLN 27 2HB GLN 27 8.111 -5.749 -0.994 174 HG2 GLN 27 1HG GLN 27 9.773 -7.646 -0.888 175 HG3 GLN 27 2HG GLN 27 10.714 -6.764 -2.090 176 HE21 GLN 27 1HE2 GLN 27 10.601 -4.225 -1.346 177 HE22 GLN 27 2HE2 GLN 27 11.255 -3.996 0.236 178 H LEU 28 H LEU 28 7.475 -4.975 -4.183 179 HA LEU 28 HA LEU 28 4.912 -4.234 -3.370 180 HB2 LEU 28 1HB LEU 28 6.225 -2.677 -4.575 181 HB3 LEU 28 2HB LEU 28 6.415 -3.783 -5.934 182 HG LEU 28 HG LEU 28 4.065 -3.485 -6.517 183 HD11 LEU 28 1HD1 LEU 28 3.565 -2.899 -3.988 184 HD12 LEU 28 2HD1 LEU 28 2.543 -2.311 -5.298 185 HD13 LEU 28 3HD1 LEU 28 3.760 -1.252 -4.586 186 HD21 LEU 28 3HD2 LEU 28 5.862 -1.115 -6.273 187 HD22 LEU 28 1HD2 LEU 28 4.225 -0.906 -6.896 188 HD23 LEU 28 2HD2 LEU 28 5.346 -1.995 -7.713 189 H HIS 29 H HIS 29 5.885 -6.125 -6.229 190 HA HIS 29 HA HIS 29 3.300 -6.652 -7.171 191 HB2 HIS 29 1HB HIS 29 5.983 -7.900 -7.571 192 HB3 HIS 29 2HB HIS 29 4.561 -8.775 -8.132 193 HD1 HIS 29 HD1 HIS 29 5.491 -8.419 -10.575 194 HD2 HIS 29 HD2 HIS 29 4.384 -4.949 -8.577 195 HE1 HIS 29 HE1 HIS 29 5.331 -6.644 -12.349 196 H SER 30 H SER 30 5.126 -8.054 -4.586 197 HA SER 30 HA SER 30 3.494 -10.427 -4.388 198 HB2 SER 30 1HB SER 30 5.872 -10.462 -3.720 199 HB3 SER 30 2HB SER 30 5.523 -9.297 -2.443 200 HG SER 30 HG SER 30 5.518 -11.415 -1.628 201 H HIS 31 H HIS 31 3.410 -7.202 -3.203 202 HA HIS 31 HA HIS 31 1.565 -7.854 -1.043 203 HB2 HIS 31 1HB HIS 31 2.913 -6.170 -0.263 204 HB3 HIS 31 2HB HIS 31 3.118 -5.447 -1.856 205 HD1 HIS 31 HD1 HIS 31 0.867 -5.428 1.126 206 HD2 HIS 31 HD2 HIS 31 1.191 -3.541 -2.561 207 HE1 HIS 31 HE1 HIS 31 -0.747 -3.501 1.213 208 H GLN 32 H GLN 32 1.608 -6.152 -4.141 209 HA GLN 32 HA GLN 32 -0.873 -4.997 -4.187 210 HB2 GLN 32 1HB GLN 32 0.748 -6.314 -6.345 211 HB3 GLN 32 2HB GLN 32 -0.830 -5.624 -6.703 212 HG2 GLN 32 1HG GLN 32 -0.061 -3.451 -5.885 213 HG3 GLN 32 2HG GLN 32 1.524 -4.146 -5.548 214 HE21 GLN 32 1HE2 GLN 32 1.830 -2.147 -7.049 215 HE22 GLN 32 2HE2 GLN 32 1.985 -2.524 -8.728 216 H ARG 33 H ARG 33 -0.094 -8.375 -4.296 217 HA ARG 33 HA ARG 33 -2.359 -9.472 -5.443 218 HB2 ARG 33 1HB ARG 33 -1.105 -10.697 -3.004 219 HB3 ARG 33 2HB ARG 33 -1.768 -11.497 -4.422 220 HG2 ARG 33 1HG ARG 33 0.163 -10.317 -5.684 221 HG3 ARG 33 2HG ARG 33 0.872 -10.148 -4.077 222 HD2 ARG 33 1HD ARG 33 1.765 -12.154 -4.801 223 HD3 ARG 33 2HD ARG 33 0.368 -12.682 -3.865 224 HE ARG 33 HE ARG 33 -0.108 -12.321 -6.694 225 HH11 ARG 33 1HH1 ARG 33 0.781 -14.521 -4.147 226 HH12 ARG 33 2HH1 ARG 33 0.330 -15.938 -5.036 227 HH21 ARG 33 1HH2 ARG 33 -0.705 -14.179 -7.875 228 HH22 ARG 33 2HH2 ARG 33 -0.514 -15.743 -7.156 229 H VAL 34 H VAL 34 -1.915 -8.116 -2.244 230 HA VAL 34 HA VAL 34 -4.186 -9.114 -0.968 231 HB VAL 34 HB VAL 34 -3.981 -7.332 0.600 232 HG11 VAL 34 1HG1 VAL 34 -1.258 -7.196 0.536 233 HG12 VAL 34 2HG1 VAL 34 -2.189 -8.535 1.212 234 HG13 VAL 34 3HG1 VAL 34 -1.571 -8.633 -0.438 235 HG21 VAL 34 3HG2 VAL 34 -2.510 -5.367 0.143 236 HG22 VAL 34 1HG2 VAL 34 -2.407 -5.901 -1.535 237 HG23 VAL 34 2HG2 VAL 34 -3.963 -5.428 -0.855 238 H HIS 35 H HIS 35 -3.861 -6.687 -3.417 239 HA HIS 35 HA HIS 35 -6.534 -5.632 -2.984 240 HB2 HIS 35 1HB HIS 35 -4.385 -5.001 -5.010 241 HB3 HIS 35 2HB HIS 35 -5.978 -4.250 -5.030 242 HD1 HIS 35 HD1 HIS 35 -6.583 -2.893 -2.742 243 HD2 HIS 35 HD2 HIS 35 -2.573 -3.724 -3.442 244 HE1 HIS 35 HE1 HIS 35 -5.301 -1.320 -1.257 245 H THR 36 H THR 36 -4.975 -8.052 -4.852 246 HA THR 36 HA THR 36 -7.026 -8.182 -6.888 247 HB THR 36 HB THR 36 -5.814 -10.113 -7.749 248 HG1 THR 36 HG1 THR 36 -5.037 -10.424 -5.276 249 HG21 THR 36 3HG2 THR 36 -4.587 -8.533 -8.742 250 HG22 THR 36 1HG2 THR 36 -3.392 -8.766 -7.468 251 HG23 THR 36 2HG2 THR 36 -4.622 -7.513 -7.304 252 H GLY 37 H GLY 37 -8.186 -8.395 -4.393 253 HA2 GLY 37 1HA GLY 37 -9.565 -9.716 -3.113 254 HA3 GLY 37 2HA GLY 37 -9.857 -10.571 -4.621 255 H GLU 38 H GLU 38 -8.377 -10.674 -1.536 256 HA GLU 38 HA GLU 38 -7.195 -13.297 -2.176 257 HB2 GLU 38 1HB GLU 38 -6.381 -11.243 -0.119 258 HB3 GLU 38 2HB GLU 38 -5.765 -12.890 -0.131 259 HG2 GLU 38 1HG GLU 38 -5.184 -12.263 -2.635 260 HG3 GLU 38 2HG GLU 38 -5.192 -10.633 -1.963 261 H LYS 39 H LYS 39 -9.454 -14.049 -1.836 262 HA LYS 39 HA LYS 39 -9.804 -14.796 0.968 263 HB2 LYS 39 1HB LYS 39 -12.012 -13.624 -0.735 264 HB3 LYS 39 2HB LYS 39 -12.226 -14.324 0.864 265 HG2 LYS 39 1HG LYS 39 -11.304 -12.534 1.928 266 HG3 LYS 39 2HG LYS 39 -10.262 -12.119 0.565 267 HD2 LYS 39 1HD LYS 39 -13.249 -11.820 0.428 268 HD3 LYS 39 2HD LYS 39 -12.216 -10.549 1.086 269 HE2 LYS 39 1HE LYS 39 -10.896 -10.862 -1.141 270 HE3 LYS 39 2HE LYS 39 -12.395 -11.597 -1.708 271 HZ1 LYS 39 3HZ LYS 39 -12.907 -9.148 -0.366 272 HZ2 LYS 39 1HZ LYS 39 -13.307 -9.606 -1.945 273 HZ3 LYS 39 2HZ LYS 39 -11.799 -8.912 -1.622 274 HA PRO 40 HA PRO 40 -10.528 -18.747 -0.845 275 HB2 PRO 40 1HB PRO 40 -11.711 -19.959 1.277 276 HB3 PRO 40 2HB PRO 40 -9.978 -19.618 1.208 277 HG2 PRO 40 1HG PRO 40 -12.155 -18.092 2.584 278 HG3 PRO 40 2HG PRO 40 -10.533 -18.502 3.172 279 HD2 PRO 40 1HD PRO 40 -11.150 -16.058 2.184 280 HD3 PRO 40 2HD PRO 40 -9.539 -16.781 2.005 281 H SER 41 H SER 41 -12.051 -19.169 -2.306 282 HA SER 41 HA SER 41 -14.584 -18.066 -2.418 283 HB2 SER 41 1HB SER 41 -13.230 -19.355 -4.223 284 HB3 SER 41 2HB SER 41 -14.035 -20.785 -3.579 285 HG SER 41 HG SER 41 -14.993 -19.162 -5.352 286 H GLY 42 H GLY 42 -16.353 -18.356 -1.242 287 HA2 GLY 42 1HA GLY 42 -17.488 -20.822 -0.589 288 HA3 GLY 42 2HA GLY 42 -16.543 -20.301 0.799 289 HA PRO 43 HA PRO 43 -19.964 -16.936 0.203 290 HB2 PRO 43 1HB PRO 43 -21.883 -17.460 -1.645 291 HB3 PRO 43 2HB PRO 43 -20.394 -16.587 -2.027 292 HG2 PRO 43 1HG PRO 43 -21.071 -19.467 -2.482 293 HG3 PRO 43 2HG PRO 43 -20.249 -18.327 -3.563 294 HD2 PRO 43 1HD PRO 43 -18.909 -20.163 -2.093 295 HD3 PRO 43 2HD PRO 43 -18.224 -18.574 -2.491 296 H SER 44 H SER 44 -20.941 -17.360 2.097 297 HA SER 44 HA SER 44 -23.397 -18.806 2.144 298 HB2 SER 44 1HB SER 44 -22.120 -20.791 2.320 299 HB3 SER 44 2HB SER 44 -20.958 -20.042 3.416 300 HG SER 44 HG SER 44 -22.912 -21.490 4.157 301 H SER 45 H SER 45 -24.669 -18.131 3.791 302 HA SER 45 HA SER 45 -23.605 -16.034 5.495 303 HB2 SER 45 1HB SER 45 -26.391 -17.034 4.919 304 HB3 SER 45 2HB SER 45 -26.067 -15.858 6.193 305 HG SER 45 HG SER 45 -26.540 -14.729 4.340 306 H GLY 46 H GLY 46 -25.676 -18.892 6.055 307 HA2 GLY 46 1HA GLY 46 -25.967 -20.177 7.944 308 HA3 GLY 46 2HA GLY 46 -24.212 -20.132 8.012 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.153 9.728 14.370 2 HA2 GLY 1 1HA GLY 1 -8.160 12.093 12.689 3 HA3 GLY 1 2HA GLY 1 -6.818 11.503 13.658 4 H SER 2 H SER 2 -5.139 11.149 12.372 5 HA SER 2 HA SER 2 -5.204 9.169 10.349 6 HB2 SER 2 1HB SER 2 -6.250 10.778 8.935 7 HB3 SER 2 2HB SER 2 -5.150 12.054 9.456 8 HG SER 2 HG SER 2 -4.351 9.724 8.046 9 H SER 3 H SER 3 -3.201 8.378 10.029 10 HA SER 3 HA SER 3 -0.955 9.928 11.139 11 HB2 SER 3 1HB SER 3 0.139 7.695 11.488 12 HB3 SER 3 2HB SER 3 -1.326 7.932 12.441 13 HG SER 3 HG SER 3 -1.081 6.467 10.023 14 H GLY 4 H GLY 4 0.973 10.048 10.010 15 HA2 GLY 4 1HA GLY 4 1.724 8.594 7.770 16 HA3 GLY 4 2HA GLY 4 0.776 9.950 7.177 17 H SER 5 H SER 5 3.738 8.970 8.730 18 HA SER 5 HA SER 5 4.771 11.712 8.408 19 HB2 SER 5 1HB SER 5 4.845 11.109 10.731 20 HB3 SER 5 2HB SER 5 5.564 9.542 10.360 21 HG SER 5 HG SER 5 7.166 10.967 11.046 22 H SER 6 H SER 6 5.259 11.281 6.191 23 HA SER 6 HA SER 6 7.144 9.190 5.543 24 HB2 SER 6 1HB SER 6 5.939 11.416 3.885 25 HB3 SER 6 2HB SER 6 7.038 10.194 3.245 26 HG SER 6 HG SER 6 4.562 9.646 4.523 27 H GLY 7 H GLY 7 8.977 9.718 6.766 28 HA2 GLY 7 1HA GLY 7 10.293 12.269 6.133 29 HA3 GLY 7 2HA GLY 7 10.686 11.223 7.490 30 H SER 8 H SER 8 12.408 9.946 7.303 31 HA SER 8 HA SER 8 13.829 9.899 4.774 32 HB2 SER 8 1HB SER 8 15.653 8.873 6.064 33 HB3 SER 8 2HB SER 8 15.070 10.339 6.851 34 HG SER 8 HG SER 8 14.178 7.737 7.535 35 H GLY 9 H GLY 9 14.036 8.191 3.440 36 HA2 GLY 9 1HA GLY 9 14.224 5.671 3.418 37 HA3 GLY 9 2HA GLY 9 12.680 5.697 4.256 38 H GLU 10 H GLU 10 14.256 6.733 1.248 39 HA GLU 10 HA GLU 10 11.715 6.967 -0.112 40 HB2 GLU 10 1HB GLU 10 14.537 7.146 -1.184 41 HB3 GLU 10 2HB GLU 10 13.078 7.544 -2.080 42 HG2 GLU 10 1HG GLU 10 13.758 8.926 0.487 43 HG3 GLU 10 2HG GLU 10 14.428 9.455 -1.055 44 H LYS 11 H LYS 11 10.986 5.667 -1.801 45 HA LYS 11 HA LYS 11 12.418 3.149 -2.263 46 HB2 LYS 11 1HB LYS 11 9.654 3.497 -1.189 47 HB3 LYS 11 2HB LYS 11 9.965 2.152 -2.279 48 HG2 LYS 11 1HG LYS 11 11.439 1.131 -0.804 49 HG3 LYS 11 2HG LYS 11 11.708 2.619 0.107 50 HD2 LYS 11 1HD LYS 11 9.225 2.467 0.723 51 HD3 LYS 11 2HD LYS 11 9.315 0.804 0.138 52 HE2 LYS 11 1HE LYS 11 11.019 2.007 2.317 53 HE3 LYS 11 2HE LYS 11 9.645 0.931 2.561 54 HZ1 LYS 11 3HZ LYS 11 11.527 -0.193 0.749 55 HZ2 LYS 11 1HZ LYS 11 10.922 -0.828 2.195 56 HZ3 LYS 11 2HZ LYS 11 12.268 0.195 2.219 57 HA PRO 12 HA PRO 12 11.514 4.299 -6.450 58 HB2 PRO 12 1HB PRO 12 12.453 2.031 -7.610 59 HB3 PRO 12 2HB PRO 12 13.513 3.300 -6.985 60 HG2 PRO 12 1HG PRO 12 12.707 0.710 -5.718 61 HG3 PRO 12 2HG PRO 12 14.304 1.478 -5.776 62 HD2 PRO 12 1HD PRO 12 12.703 1.608 -3.596 63 HD3 PRO 12 2HD PRO 12 13.813 2.919 -4.045 64 H PHE 13 H PHE 13 10.258 1.551 -4.777 65 HA PHE 13 HA PHE 13 8.270 1.116 -6.904 66 HB2 PHE 13 1HB PHE 13 8.978 -0.732 -4.616 67 HB3 PHE 13 2HB PHE 13 7.903 -1.092 -5.963 68 HD1 PHE 13 HD1 PHE 13 11.377 -0.707 -4.903 69 HD2 PHE 13 HD2 PHE 13 8.780 -1.593 -8.157 70 HE1 PHE 13 HE1 PHE 13 13.285 -1.592 -6.181 71 HE2 PHE 13 HE2 PHE 13 10.684 -2.480 -9.439 72 HZ PHE 13 HZ PHE 13 12.940 -2.481 -8.451 73 H LYS 14 H LYS 14 6.207 1.628 -6.546 74 HA LYS 14 HA LYS 14 5.252 1.915 -3.791 75 HB2 LYS 14 1HB LYS 14 5.888 4.159 -4.451 76 HB3 LYS 14 2HB LYS 14 4.984 4.011 -5.952 77 HG2 LYS 14 1HG LYS 14 2.931 3.669 -4.464 78 HG3 LYS 14 2HG LYS 14 3.943 4.288 -3.157 79 HD2 LYS 14 1HD LYS 14 4.374 6.317 -4.513 80 HD3 LYS 14 2HD LYS 14 3.256 5.703 -5.733 81 HE2 LYS 14 1HE LYS 14 1.913 7.124 -4.494 82 HE3 LYS 14 2HE LYS 14 1.579 5.555 -3.764 83 HZ1 LYS 14 3HZ LYS 14 2.729 7.884 -2.589 84 HZ2 LYS 14 1HZ LYS 14 3.721 6.531 -2.368 85 HZ3 LYS 14 2HZ LYS 14 2.114 6.496 -1.842 86 H CYS 15 H CYS 15 3.279 1.080 -3.487 87 HA CYS 15 HA CYS 15 1.947 -0.209 -5.675 88 HB2 CYS 15 1HB CYS 15 2.069 -1.172 -3.377 89 HB3 CYS 15 2HB CYS 15 1.008 0.118 -2.819 90 H GLU 16 H GLU 16 0.778 0.936 -7.071 91 HA GLU 16 HA GLU 16 -0.364 3.461 -6.507 92 HB2 GLU 16 1HB GLU 16 -1.034 1.554 -8.755 93 HB3 GLU 16 2HB GLU 16 -1.416 3.269 -8.704 94 HG2 GLU 16 1HG GLU 16 1.394 2.214 -8.599 95 HG3 GLU 16 2HG GLU 16 0.567 2.619 -10.102 96 H GLU 17 H GLU 17 -1.517 0.206 -6.182 97 HA GLU 17 HA GLU 17 -4.266 0.553 -6.236 98 HB2 GLU 17 1HB GLU 17 -2.801 -1.246 -4.304 99 HB3 GLU 17 2HB GLU 17 -4.430 -1.457 -4.930 100 HG2 GLU 17 1HG GLU 17 -3.236 -1.529 -7.241 101 HG3 GLU 17 2HG GLU 17 -1.811 -1.912 -6.276 102 H CYS 18 H CYS 18 -2.120 0.738 -3.395 103 HA CYS 18 HA CYS 18 -4.204 2.327 -2.047 104 HB2 CYS 18 1HB CYS 18 -3.237 1.510 0.089 105 HB3 CYS 18 2HB CYS 18 -3.882 0.210 -0.909 106 H GLY 19 H GLY 19 -0.746 1.944 -2.628 107 HA2 GLY 19 1HA GLY 19 0.406 4.099 -3.121 108 HA3 GLY 19 2HA GLY 19 -0.368 4.713 -1.667 109 H LYS 20 H LYS 20 0.692 1.466 -1.518 110 HA LYS 20 HA LYS 20 2.469 1.984 0.617 111 HB2 LYS 20 1HB LYS 20 1.656 -0.391 -0.966 112 HB3 LYS 20 2HB LYS 20 3.190 -0.501 -0.112 113 HG2 LYS 20 1HG LYS 20 1.773 0.375 1.910 114 HG3 LYS 20 2HG LYS 20 0.427 -0.274 0.969 115 HD2 LYS 20 1HD LYS 20 1.622 -2.444 0.849 116 HD3 LYS 20 2HD LYS 20 2.873 -1.777 1.900 117 HE2 LYS 20 1HE LYS 20 -0.019 -1.787 2.702 118 HE3 LYS 20 2HE LYS 20 1.017 -3.187 2.974 119 HZ1 LYS 20 3HZ LYS 20 0.902 -1.705 4.905 120 HZ2 LYS 20 1HZ LYS 20 1.567 -0.450 3.986 121 HZ3 LYS 20 2HZ LYS 20 2.478 -1.838 4.306 122 H ARG 21 H ARG 21 4.746 0.703 0.391 123 HA ARG 21 HA ARG 21 6.099 1.445 -2.077 124 HB2 ARG 21 1HB ARG 21 6.978 2.517 0.611 125 HB3 ARG 21 2HB ARG 21 7.837 2.721 -0.910 126 HG2 ARG 21 1HG ARG 21 5.588 3.800 -1.693 127 HG3 ARG 21 2HG ARG 21 5.329 4.013 0.040 128 HD2 ARG 21 1HD ARG 21 7.819 4.931 -0.099 129 HD3 ARG 21 2HD ARG 21 7.330 5.268 -1.758 130 HE ARG 21 HE ARG 21 5.301 6.310 -0.333 131 HH11 ARG 21 1HH1 ARG 21 8.758 6.641 -0.090 132 HH12 ARG 21 2HH1 ARG 21 8.690 8.252 0.543 133 HH21 ARG 21 1HH2 ARG 21 5.199 8.431 0.500 134 HH22 ARG 21 2HH2 ARG 21 6.665 9.269 0.879 135 H PHE 22 H PHE 22 8.230 0.521 -2.265 136 HA PHE 22 HA PHE 22 9.108 -1.366 -0.263 137 HB2 PHE 22 1HB PHE 22 8.479 -2.451 -3.004 138 HB3 PHE 22 2HB PHE 22 8.901 -3.349 -1.550 139 HD1 PHE 22 HD2 PHE 22 6.255 -1.315 -3.134 140 HD2 PHE 22 HD1 PHE 22 7.251 -4.053 -0.032 141 HE1 PHE 22 HE2 PHE 22 3.865 -1.601 -2.624 142 HE2 PHE 22 HE1 PHE 22 4.863 -4.344 0.483 143 HZ PHE 22 HZ PHE 22 3.166 -3.116 -0.813 144 H THR 23 H THR 23 11.216 -2.216 -0.683 145 HA THR 23 HA THR 23 12.836 -0.396 -2.248 146 HB THR 23 HB THR 23 13.469 -1.226 0.067 147 HG1 THR 23 HG1 THR 23 15.186 -1.364 -2.182 148 HG21 THR 23 3HG2 THR 23 12.909 -3.658 -0.646 149 HG22 THR 23 1HG2 THR 23 14.301 -3.373 0.397 150 HG23 THR 23 2HG2 THR 23 14.536 -3.655 -1.328 151 H GLN 24 H GLN 24 11.241 -3.262 -2.849 152 HA GLN 24 HA GLN 24 12.825 -3.701 -5.259 153 HB2 GLN 24 1HB GLN 24 12.565 -5.607 -3.009 154 HB3 GLN 24 2HB GLN 24 12.357 -6.281 -4.620 155 HG2 GLN 24 1HG GLN 24 14.755 -4.809 -3.561 156 HG3 GLN 24 2HG GLN 24 14.642 -6.520 -3.970 157 HE21 GLN 24 1HE2 GLN 24 13.187 -6.220 -6.373 158 HE22 GLN 24 2HE2 GLN 24 14.239 -5.512 -7.545 159 H ASN 25 H ASN 25 11.697 -4.813 -6.926 160 HA ASN 25 HA ASN 25 8.965 -4.169 -7.104 161 HB2 ASN 25 1HB ASN 25 8.991 -5.328 -9.227 162 HB3 ASN 25 2HB ASN 25 10.498 -4.434 -9.053 163 HD21 ASN 25 1HD2 ASN 25 12.411 -5.587 -8.562 164 HD22 ASN 25 2HD2 ASN 25 12.551 -7.268 -8.936 165 H SER 26 H SER 26 10.573 -7.323 -6.719 166 HA SER 26 HA SER 26 8.445 -9.018 -6.688 167 HB2 SER 26 1HB SER 26 10.753 -9.141 -4.733 168 HB3 SER 26 2HB SER 26 9.739 -10.491 -5.242 169 HG SER 26 HG SER 26 11.478 -10.631 -6.536 170 H GLN 27 H GLN 27 9.439 -6.826 -4.128 171 HA GLN 27 HA GLN 27 7.698 -7.824 -2.130 172 HB2 GLN 27 1HB GLN 27 9.057 -5.157 -2.497 173 HB3 GLN 27 2HB GLN 27 8.061 -5.530 -1.097 174 HG2 GLN 27 1HG GLN 27 9.575 -7.512 -0.708 175 HG3 GLN 27 2HG GLN 27 10.642 -6.817 -1.927 176 HE21 GLN 27 1HE2 GLN 27 10.602 -4.193 -1.417 177 HE22 GLN 27 2HE2 GLN 27 11.206 -3.859 0.167 178 H LEU 28 H LEU 28 7.443 -4.933 -4.205 179 HA LEU 28 HA LEU 28 4.875 -4.177 -3.416 180 HB2 LEU 28 1HB LEU 28 6.194 -2.634 -4.629 181 HB3 LEU 28 2HB LEU 28 6.402 -3.757 -5.970 182 HG LEU 28 HG LEU 28 4.068 -3.470 -6.597 183 HD11 LEU 28 1HD1 LEU 28 3.491 -2.904 -4.094 184 HD12 LEU 28 2HD1 LEU 28 2.518 -2.271 -5.421 185 HD13 LEU 28 3HD1 LEU 28 3.729 -1.247 -4.650 186 HD21 LEU 28 3HD2 LEU 28 4.350 -0.748 -6.714 187 HD22 LEU 28 1HD2 LEU 28 5.044 -1.901 -7.854 188 HD23 LEU 28 2HD2 LEU 28 6.015 -1.297 -6.511 189 H HIS 29 H HIS 29 5.839 -6.023 -6.313 190 HA HIS 29 HA HIS 29 3.254 -6.589 -7.216 191 HB2 HIS 29 1HB HIS 29 5.879 -8.025 -7.594 192 HB3 HIS 29 2HB HIS 29 4.393 -8.561 -8.374 193 HD1 HIS 29 HD1 HIS 29 7.029 -7.390 -9.787 194 HD2 HIS 29 HD2 HIS 29 3.434 -5.404 -9.158 195 HE1 HIS 29 HE1 HIS 29 6.957 -5.567 -11.517 196 H SER 30 H SER 30 5.121 -7.981 -4.659 197 HA SER 30 HA SER 30 3.533 -10.383 -4.467 198 HB2 SER 30 1HB SER 30 5.798 -10.617 -3.777 199 HB3 SER 30 2HB SER 30 5.706 -9.192 -2.743 200 HG SER 30 HG SER 30 4.488 -10.311 -1.299 201 H HIS 31 H HIS 31 3.412 -7.170 -3.246 202 HA HIS 31 HA HIS 31 1.589 -7.869 -1.084 203 HB2 HIS 31 1HB HIS 31 2.899 -6.165 -0.291 204 HB3 HIS 31 2HB HIS 31 3.107 -5.440 -1.883 205 HD1 HIS 31 HD1 HIS 31 0.732 -5.531 1.025 206 HD2 HIS 31 HD2 HIS 31 1.271 -3.466 -2.539 207 HE1 HIS 31 HE1 HIS 31 -0.875 -3.599 1.118 208 H GLN 32 H GLN 32 1.580 -6.145 -4.169 209 HA GLN 32 HA GLN 32 -0.925 -5.037 -4.184 210 HB2 GLN 32 1HB GLN 32 0.710 -6.291 -6.370 211 HB3 GLN 32 2HB GLN 32 -0.882 -5.625 -6.709 212 HG2 GLN 32 1HG GLN 32 -0.128 -3.455 -5.812 213 HG3 GLN 32 2HG GLN 32 1.481 -4.138 -5.586 214 HE21 GLN 32 1HE2 GLN 32 1.563 -2.031 -7.044 215 HE22 GLN 32 2HE2 GLN 32 1.678 -2.366 -8.735 216 H ARG 33 H ARG 33 -0.097 -8.378 -4.198 217 HA ARG 33 HA ARG 33 -2.328 -9.528 -5.399 218 HB2 ARG 33 1HB ARG 33 -1.038 -10.716 -2.958 219 HB3 ARG 33 2HB ARG 33 -1.708 -11.541 -4.359 220 HG2 ARG 33 1HG ARG 33 0.162 -10.474 -5.699 221 HG3 ARG 33 2HG ARG 33 0.881 -10.042 -4.147 222 HD2 ARG 33 1HD ARG 33 1.838 -12.115 -4.937 223 HD3 ARG 33 2HD ARG 33 0.856 -12.421 -3.505 224 HE ARG 33 HE ARG 33 -0.506 -13.741 -4.777 225 HH11 ARG 33 1HH1 ARG 33 1.373 -11.704 -6.884 226 HH12 ARG 33 2HH1 ARG 33 0.828 -12.479 -8.334 227 HH21 ARG 33 1HH2 ARG 33 -1.230 -14.770 -6.679 228 HH22 ARG 33 2HH2 ARG 33 -0.653 -14.222 -8.217 229 H VAL 34 H VAL 34 -1.928 -8.136 -2.215 230 HA VAL 34 HA VAL 34 -4.184 -9.187 -0.943 231 HB VAL 34 HB VAL 34 -4.004 -7.422 0.639 232 HG11 VAL 34 1HG1 VAL 34 -1.288 -7.214 0.569 233 HG12 VAL 34 2HG1 VAL 34 -2.180 -8.587 1.228 234 HG13 VAL 34 3HG1 VAL 34 -1.564 -8.645 -0.424 235 HG21 VAL 34 3HG2 VAL 34 -2.292 -5.906 -1.327 236 HG22 VAL 34 1HG2 VAL 34 -3.999 -5.580 -1.027 237 HG23 VAL 34 2HG2 VAL 34 -2.819 -5.362 0.265 238 H HIS 35 H HIS 35 -3.887 -6.759 -3.390 239 HA HIS 35 HA HIS 35 -6.549 -5.697 -2.956 240 HB2 HIS 35 1HB HIS 35 -4.433 -5.147 -5.039 241 HB3 HIS 35 2HB HIS 35 -6.023 -4.389 -5.062 242 HD1 HIS 35 HD1 HIS 35 -6.577 -2.814 -2.977 243 HD2 HIS 35 HD2 HIS 35 -2.605 -3.963 -3.378 244 HE1 HIS 35 HE1 HIS 35 -5.270 -1.231 -1.525 245 H THR 36 H THR 36 -4.975 -8.071 -4.936 246 HA THR 36 HA THR 36 -7.194 -8.302 -6.785 247 HB THR 36 HB THR 36 -5.916 -10.162 -7.776 248 HG1 THR 36 HG1 THR 36 -4.903 -10.914 -5.852 249 HG21 THR 36 3HG2 THR 36 -5.242 -7.457 -7.773 250 HG22 THR 36 1HG2 THR 36 -4.746 -8.669 -8.954 251 HG23 THR 36 2HG2 THR 36 -3.708 -8.304 -7.576 252 H GLY 37 H GLY 37 -7.995 -8.689 -4.132 253 HA2 GLY 37 1HA GLY 37 -9.010 -11.421 -4.332 254 HA3 GLY 37 2HA GLY 37 -8.109 -11.015 -2.878 255 H GLU 38 H GLU 38 -8.918 -8.681 -2.045 256 HA GLU 38 HA GLU 38 -11.852 -8.890 -1.859 257 HB2 GLU 38 1HB GLU 38 -10.299 -9.394 0.204 258 HB3 GLU 38 2HB GLU 38 -10.218 -7.641 0.312 259 HG2 GLU 38 1HG GLU 38 -12.615 -7.502 0.538 260 HG3 GLU 38 2HG GLU 38 -12.764 -9.244 0.309 261 H LYS 39 H LYS 39 -12.690 -7.316 -3.067 262 HA LYS 39 HA LYS 39 -11.881 -4.568 -2.521 263 HB2 LYS 39 1HB LYS 39 -11.728 -3.994 -4.889 264 HB3 LYS 39 2HB LYS 39 -10.544 -5.226 -4.471 265 HG2 LYS 39 1HG LYS 39 -11.328 -6.115 -6.403 266 HG3 LYS 39 2HG LYS 39 -12.481 -6.839 -5.280 267 HD2 LYS 39 1HD LYS 39 -14.188 -5.400 -5.905 268 HD3 LYS 39 2HD LYS 39 -13.070 -4.186 -6.532 269 HE2 LYS 39 1HE LYS 39 -13.206 -6.875 -7.822 270 HE3 LYS 39 2HE LYS 39 -14.457 -5.682 -8.168 271 HZ1 LYS 39 3HZ LYS 39 -11.745 -5.794 -9.083 272 HZ2 LYS 39 1HZ LYS 39 -12.139 -4.285 -8.426 273 HZ3 LYS 39 2HZ LYS 39 -13.055 -4.919 -9.699 274 HA PRO 40 HA PRO 40 -16.238 -3.942 -2.605 275 HB2 PRO 40 1HB PRO 40 -16.279 -1.253 -2.976 276 HB3 PRO 40 2HB PRO 40 -15.831 -2.004 -1.440 277 HG2 PRO 40 1HG PRO 40 -14.069 -0.919 -3.603 278 HG3 PRO 40 2HG PRO 40 -13.922 -0.740 -1.845 279 HD2 PRO 40 1HD PRO 40 -12.450 -2.521 -3.256 280 HD3 PRO 40 2HD PRO 40 -12.970 -2.823 -1.586 281 H SER 41 H SER 41 -17.816 -4.007 -4.104 282 HA SER 41 HA SER 41 -17.405 -4.349 -6.769 283 HB2 SER 41 1HB SER 41 -19.775 -3.898 -7.114 284 HB3 SER 41 2HB SER 41 -19.554 -4.778 -5.602 285 HG SER 41 HG SER 41 -20.757 -3.185 -4.885 286 H GLY 42 H GLY 42 -17.307 -3.110 -8.604 287 HA2 GLY 42 1HA GLY 42 -17.796 -0.280 -8.569 288 HA3 GLY 42 2HA GLY 42 -16.082 -0.667 -8.595 289 HA PRO 43 HA PRO 43 -16.145 -1.185 -12.942 290 HB2 PRO 43 1HB PRO 43 -14.558 -3.352 -13.337 291 HB3 PRO 43 2HB PRO 43 -13.929 -1.780 -12.829 292 HG2 PRO 43 1HG PRO 43 -14.529 -4.204 -11.178 293 HG3 PRO 43 2HG PRO 43 -13.132 -3.115 -11.099 294 HD2 PRO 43 1HD PRO 43 -15.206 -2.953 -9.366 295 HD3 PRO 43 2HD PRO 43 -14.278 -1.529 -9.881 296 H SER 44 H SER 44 -18.015 -1.763 -13.878 297 HA SER 44 HA SER 44 -19.406 -4.170 -13.300 298 HB2 SER 44 1HB SER 44 -20.323 -1.918 -14.212 299 HB3 SER 44 2HB SER 44 -19.866 -2.552 -15.793 300 HG SER 44 HG SER 44 -22.042 -3.093 -14.377 301 H SER 45 H SER 45 -18.022 -5.899 -13.687 302 HA SER 45 HA SER 45 -16.945 -6.263 -16.368 303 HB2 SER 45 1HB SER 45 -15.677 -6.796 -14.197 304 HB3 SER 45 2HB SER 45 -16.709 -8.222 -14.089 305 HG SER 45 HG SER 45 -15.452 -7.766 -16.525 306 H GLY 46 H GLY 46 -18.668 -6.717 -17.689 307 HA2 GLY 46 1HA GLY 46 -20.343 -7.952 -18.658 308 HA3 GLY 46 2HA GLY 46 -19.540 -9.339 -17.938 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.970 -10.086 3.694 2 HA2 GLY 1 1HA GLY 1 2.815 -8.221 4.735 3 HA3 GLY 1 2HA GLY 1 3.257 -9.269 6.074 4 H SER 2 H SER 2 4.989 -7.400 5.816 5 HA SER 2 HA SER 2 7.218 -8.557 4.273 6 HB2 SER 2 1HB SER 2 8.097 -6.245 4.012 7 HB3 SER 2 2HB SER 2 6.535 -6.471 3.226 8 HG SER 2 HG SER 2 6.794 -4.519 4.550 9 H SER 3 H SER 3 9.331 -8.281 5.179 10 HA SER 3 HA SER 3 9.574 -8.941 7.840 11 HB2 SER 3 1HB SER 3 11.902 -8.686 7.590 12 HB3 SER 3 2HB SER 3 11.335 -9.038 5.958 13 HG SER 3 HG SER 3 12.631 -7.296 5.730 14 H GLY 4 H GLY 4 10.466 -7.760 9.659 15 HA2 GLY 4 1HA GLY 4 9.046 -5.477 10.331 16 HA3 GLY 4 2HA GLY 4 10.526 -5.993 11.125 17 H SER 5 H SER 5 10.101 -3.365 11.042 18 HA SER 5 HA SER 5 10.780 -1.829 8.898 19 HB2 SER 5 1HB SER 5 10.198 -0.933 11.132 20 HB3 SER 5 2HB SER 5 11.790 -1.410 11.723 21 HG SER 5 HG SER 5 11.072 0.794 10.340 22 H SER 6 H SER 6 12.436 -1.782 7.544 23 HA SER 6 HA SER 6 15.025 -2.857 8.449 24 HB2 SER 6 1HB SER 6 13.809 -2.777 5.679 25 HB3 SER 6 2HB SER 6 15.464 -3.284 6.018 26 HG SER 6 HG SER 6 14.719 -5.155 6.582 27 H GLY 7 H GLY 7 13.554 -0.396 6.341 28 HA2 GLY 7 1HA GLY 7 15.173 1.705 7.216 29 HA3 GLY 7 2HA GLY 7 15.946 1.004 5.802 30 H SER 8 H SER 8 12.985 2.522 6.977 31 HA SER 8 HA SER 8 11.959 2.898 4.301 32 HB2 SER 8 1HB SER 8 10.100 4.067 5.421 33 HB3 SER 8 2HB SER 8 10.404 2.493 6.156 34 HG SER 8 HG SER 8 11.892 4.033 7.534 35 H GLY 9 H GLY 9 11.600 4.929 3.301 36 HA2 GLY 9 1HA GLY 9 12.064 7.450 4.020 37 HA3 GLY 9 2HA GLY 9 13.710 6.848 3.890 38 H GLU 10 H GLU 10 13.415 5.150 1.684 39 HA GLU 10 HA GLU 10 12.326 6.755 -0.480 40 HB2 GLU 10 1HB GLU 10 14.502 6.676 -1.724 41 HB3 GLU 10 2HB GLU 10 14.499 7.739 -0.324 42 HG2 GLU 10 1HG GLU 10 15.653 6.034 0.982 43 HG3 GLU 10 2HG GLU 10 15.650 4.960 -0.415 44 H LYS 11 H LYS 11 11.282 5.405 -1.768 45 HA LYS 11 HA LYS 11 12.457 2.784 -2.355 46 HB2 LYS 11 1HB LYS 11 9.731 3.327 -1.230 47 HB3 LYS 11 2HB LYS 11 9.985 1.939 -2.279 48 HG2 LYS 11 1HG LYS 11 11.420 0.903 -0.768 49 HG3 LYS 11 2HG LYS 11 11.726 2.402 0.112 50 HD2 LYS 11 1HD LYS 11 8.946 1.329 0.007 51 HD3 LYS 11 2HD LYS 11 10.116 0.568 1.088 52 HE2 LYS 11 1HE LYS 11 10.591 3.055 1.792 53 HE3 LYS 11 2HE LYS 11 8.971 3.321 1.151 54 HZ1 LYS 11 3HZ LYS 11 9.812 1.781 3.496 55 HZ2 LYS 11 1HZ LYS 11 8.442 1.259 2.651 56 HZ3 LYS 11 2HZ LYS 11 8.489 2.818 3.305 57 HA PRO 12 HA PRO 12 11.489 4.246 -6.444 58 HB2 PRO 12 1HB PRO 12 12.369 2.038 -7.755 59 HB3 PRO 12 2HB PRO 12 13.460 3.259 -7.091 60 HG2 PRO 12 1HG PRO 12 12.662 0.610 -5.948 61 HG3 PRO 12 2HG PRO 12 14.266 1.365 -6.009 62 HD2 PRO 12 1HD PRO 12 12.729 1.389 -3.780 63 HD3 PRO 12 2HD PRO 12 13.840 2.712 -4.188 64 H PHE 13 H PHE 13 10.167 1.539 -4.817 65 HA PHE 13 HA PHE 13 8.178 1.147 -6.951 66 HB2 PHE 13 1HB PHE 13 8.843 -0.708 -4.656 67 HB3 PHE 13 2HB PHE 13 7.737 -1.043 -5.984 68 HD1 PHE 13 HD1 PHE 13 11.239 -0.752 -4.983 69 HD2 PHE 13 HD2 PHE 13 8.563 -1.597 -8.183 70 HE1 PHE 13 HE1 PHE 13 13.099 -1.706 -6.281 71 HE2 PHE 13 HE2 PHE 13 10.418 -2.553 -9.486 72 HZ PHE 13 HZ PHE 13 12.689 -2.609 -8.536 73 H LYS 14 H LYS 14 6.063 1.514 -6.564 74 HA LYS 14 HA LYS 14 5.158 1.950 -3.819 75 HB2 LYS 14 1HB LYS 14 5.812 4.165 -4.653 76 HB3 LYS 14 2HB LYS 14 4.761 3.956 -6.047 77 HG2 LYS 14 1HG LYS 14 2.844 3.748 -4.430 78 HG3 LYS 14 2HG LYS 14 3.964 4.262 -3.166 79 HD2 LYS 14 1HD LYS 14 4.407 6.329 -4.425 80 HD3 LYS 14 2HD LYS 14 3.247 5.816 -5.653 81 HE2 LYS 14 1HE LYS 14 1.436 5.971 -4.135 82 HE3 LYS 14 2HE LYS 14 2.517 6.124 -2.751 83 HZ1 LYS 14 3HZ LYS 14 3.185 8.198 -4.421 84 HZ2 LYS 14 1HZ LYS 14 2.298 8.305 -2.984 85 HZ3 LYS 14 2HZ LYS 14 1.495 8.150 -4.465 86 H CYS 15 H CYS 15 3.262 0.996 -3.469 87 HA CYS 15 HA CYS 15 1.890 -0.346 -5.579 88 HB2 CYS 15 1HB CYS 15 2.062 -1.152 -3.196 89 HB3 CYS 15 2HB CYS 15 0.910 0.104 -2.756 90 H GLU 16 H GLU 16 1.072 1.106 -7.046 91 HA GLU 16 HA GLU 16 -0.224 3.500 -6.522 92 HB2 GLU 16 1HB GLU 16 -0.818 1.589 -8.788 93 HB3 GLU 16 2HB GLU 16 -1.192 3.306 -8.753 94 HG2 GLU 16 1HG GLU 16 1.398 3.524 -8.359 95 HG3 GLU 16 2HG GLU 16 1.417 1.938 -9.129 96 H GLU 17 H GLU 17 -1.347 0.258 -6.139 97 HA GLU 17 HA GLU 17 -4.104 0.580 -6.318 98 HB2 GLU 17 1HB GLU 17 -2.660 -1.193 -4.344 99 HB3 GLU 17 2HB GLU 17 -4.294 -1.407 -4.958 100 HG2 GLU 17 1HG GLU 17 -3.105 -1.505 -7.276 101 HG3 GLU 17 2HG GLU 17 -1.684 -1.895 -6.308 102 H CYS 18 H CYS 18 -2.025 0.869 -3.440 103 HA CYS 18 HA CYS 18 -4.167 2.450 -2.173 104 HB2 CYS 18 1HB CYS 18 -3.297 1.651 0.006 105 HB3 CYS 18 2HB CYS 18 -3.892 0.339 -1.006 106 H GLY 19 H GLY 19 -0.682 2.026 -2.573 107 HA2 GLY 19 1HA GLY 19 0.444 4.232 -3.066 108 HA3 GLY 19 2HA GLY 19 -0.309 4.781 -1.576 109 H LYS 20 H LYS 20 0.653 1.545 -1.423 110 HA LYS 20 HA LYS 20 2.515 2.002 0.636 111 HB2 LYS 20 1HB LYS 20 1.631 -0.347 -0.957 112 HB3 LYS 20 2HB LYS 20 3.161 -0.490 -0.102 113 HG2 LYS 20 1HG LYS 20 1.816 0.357 1.943 114 HG3 LYS 20 2HG LYS 20 0.408 -0.136 0.999 115 HD2 LYS 20 1HD LYS 20 0.875 -2.042 2.233 116 HD3 LYS 20 2HD LYS 20 1.700 -2.368 0.707 117 HE2 LYS 20 1HE LYS 20 3.798 -1.514 1.722 118 HE3 LYS 20 2HE LYS 20 2.945 -1.344 3.256 119 HZ1 LYS 20 3HZ LYS 20 4.307 -3.503 2.642 120 HZ2 LYS 20 1HZ LYS 20 2.833 -3.949 1.944 121 HZ3 LYS 20 2HZ LYS 20 2.908 -3.570 3.590 122 H ARG 21 H ARG 21 4.765 0.729 0.383 123 HA ARG 21 HA ARG 21 6.078 1.393 -2.126 124 HB2 ARG 21 1HB ARG 21 6.961 2.572 0.515 125 HB3 ARG 21 2HB ARG 21 7.860 2.675 -0.992 126 HG2 ARG 21 1HG ARG 21 5.665 3.758 -1.895 127 HG3 ARG 21 2HG ARG 21 5.348 4.058 -0.185 128 HD2 ARG 21 1HD ARG 21 7.783 4.988 -0.186 129 HD3 ARG 21 2HD ARG 21 7.534 5.117 -1.926 130 HE ARG 21 HE ARG 21 6.040 6.837 -1.567 131 HH11 ARG 21 1HH1 ARG 21 6.888 5.333 1.456 132 HH12 ARG 21 2HH1 ARG 21 6.165 6.574 2.426 133 HH21 ARG 21 1HH2 ARG 21 5.084 8.477 -0.302 134 HH22 ARG 21 2HH2 ARG 21 5.139 8.361 1.425 135 H PHE 22 H PHE 22 8.227 0.480 -2.299 136 HA PHE 22 HA PHE 22 9.102 -1.370 -0.257 137 HB2 PHE 22 1HB PHE 22 8.463 -2.481 -2.989 138 HB3 PHE 22 2HB PHE 22 8.933 -3.370 -1.544 139 HD1 PHE 22 HD2 PHE 22 6.230 -1.242 -2.940 140 HD2 PHE 22 HD1 PHE 22 7.317 -4.239 -0.120 141 HE1 PHE 22 HE2 PHE 22 3.857 -1.567 -2.376 142 HE2 PHE 22 HE1 PHE 22 4.946 -4.569 0.448 143 HZ PHE 22 HZ PHE 22 3.212 -3.232 -0.680 144 H THR 23 H THR 23 11.221 -2.186 -0.622 145 HA THR 23 HA THR 23 12.867 -0.378 -2.141 146 HB THR 23 HB THR 23 13.614 -1.170 0.057 147 HG1 THR 23 HG1 THR 23 15.184 -1.922 -2.192 148 HG21 THR 23 3HG2 THR 23 13.253 -3.306 0.597 149 HG22 THR 23 1HG2 THR 23 14.614 -3.722 -0.442 150 HG23 THR 23 2HG2 THR 23 12.973 -3.750 -1.086 151 H GLN 24 H GLN 24 11.280 -3.271 -2.814 152 HA GLN 24 HA GLN 24 12.789 -3.559 -5.296 153 HB2 GLN 24 1HB GLN 24 12.639 -5.569 -3.126 154 HB3 GLN 24 2HB GLN 24 12.407 -6.174 -4.761 155 HG2 GLN 24 1HG GLN 24 14.799 -4.741 -3.646 156 HG3 GLN 24 2HG GLN 24 14.704 -6.396 -4.247 157 HE21 GLN 24 1HE2 GLN 24 13.233 -5.916 -6.575 158 HE22 GLN 24 2HE2 GLN 24 14.227 -5.033 -7.678 159 H ASN 25 H ASN 25 11.646 -4.752 -6.944 160 HA ASN 25 HA ASN 25 8.884 -4.133 -7.013 161 HB2 ASN 25 1HB ASN 25 8.936 -4.816 -9.215 162 HB3 ASN 25 2HB ASN 25 10.646 -4.487 -8.948 163 HD21 ASN 25 1HD2 ASN 25 11.973 -6.356 -8.282 164 HD22 ASN 25 2HD2 ASN 25 11.610 -7.895 -8.977 165 H SER 26 H SER 26 10.641 -7.204 -6.698 166 HA SER 26 HA SER 26 8.585 -9.006 -6.731 167 HB2 SER 26 1HB SER 26 11.160 -8.918 -5.196 168 HB3 SER 26 2HB SER 26 10.019 -10.232 -4.910 169 HG SER 26 HG SER 26 10.227 -9.980 -7.516 170 H GLN 27 H GLN 27 9.472 -6.810 -4.145 171 HA GLN 27 HA GLN 27 7.767 -7.963 -2.174 172 HB2 GLN 27 1HB GLN 27 8.975 -5.197 -2.353 173 HB3 GLN 27 2HB GLN 27 8.164 -5.851 -0.936 174 HG2 GLN 27 1HG GLN 27 9.877 -7.693 -0.944 175 HG3 GLN 27 2HG GLN 27 10.743 -6.768 -2.170 176 HE21 GLN 27 1HE2 GLN 27 10.642 -4.255 -1.383 177 HE22 GLN 27 2HE2 GLN 27 11.351 -4.039 0.177 178 H LEU 28 H LEU 28 7.497 -5.001 -4.141 179 HA LEU 28 HA LEU 28 4.935 -4.269 -3.311 180 HB2 LEU 28 1HB LEU 28 6.285 -2.707 -4.494 181 HB3 LEU 28 2HB LEU 28 6.410 -3.780 -5.887 182 HG LEU 28 HG LEU 28 4.044 -3.418 -6.383 183 HD11 LEU 28 1HD1 LEU 28 2.613 -2.148 -5.117 184 HD12 LEU 28 2HD1 LEU 28 3.916 -1.237 -4.356 185 HD13 LEU 28 3HD1 LEU 28 3.596 -2.898 -3.859 186 HD21 LEU 28 3HD2 LEU 28 4.321 -1.362 -7.389 187 HD22 LEU 28 1HD2 LEU 28 5.993 -1.840 -7.091 188 HD23 LEU 28 2HD2 LEU 28 5.200 -0.688 -6.016 189 H HIS 29 H HIS 29 5.903 -6.084 -6.222 190 HA HIS 29 HA HIS 29 3.336 -6.593 -7.192 191 HB2 HIS 29 1HB HIS 29 5.838 -8.273 -7.460 192 HB3 HIS 29 2HB HIS 29 4.382 -8.473 -8.429 193 HD1 HIS 29 HD1 HIS 29 5.369 -7.842 -10.666 194 HD2 HIS 29 HD2 HIS 29 5.995 -4.954 -7.746 195 HE1 HIS 29 HE1 HIS 29 6.283 -5.841 -11.885 196 H SER 30 H SER 30 5.136 -8.093 -4.624 197 HA SER 30 HA SER 30 3.449 -10.419 -4.456 198 HB2 SER 30 1HB SER 30 5.798 -9.358 -2.978 199 HB3 SER 30 2HB SER 30 4.723 -10.439 -2.090 200 HG SER 30 HG SER 30 6.570 -11.326 -3.448 201 H HIS 31 H HIS 31 3.438 -7.211 -3.192 202 HA HIS 31 HA HIS 31 1.556 -7.843 -1.069 203 HB2 HIS 31 1HB HIS 31 2.915 -6.158 -0.302 204 HB3 HIS 31 2HB HIS 31 3.106 -5.438 -1.898 205 HD1 HIS 31 HD1 HIS 31 0.756 -5.519 1.035 206 HD2 HIS 31 HD2 HIS 31 1.290 -3.441 -2.523 207 HE1 HIS 31 HE1 HIS 31 -0.833 -3.573 1.148 208 H GLN 32 H GLN 32 1.608 -6.144 -4.170 209 HA GLN 32 HA GLN 32 -0.886 -5.006 -4.214 210 HB2 GLN 32 1HB GLN 32 0.784 -6.259 -6.370 211 HB3 GLN 32 2HB GLN 32 -0.810 -5.617 -6.742 212 HG2 GLN 32 1HG GLN 32 -0.109 -3.429 -5.867 213 HG3 GLN 32 2HG GLN 32 1.500 -4.085 -5.571 214 HE21 GLN 32 1HE2 GLN 32 2.355 -2.493 -6.964 215 HE22 GLN 32 2HE2 GLN 32 2.247 -2.659 -8.680 216 H ARG 33 H ARG 33 -0.084 -8.359 -4.254 217 HA ARG 33 HA ARG 33 -2.325 -9.473 -5.469 218 HB2 ARG 33 1HB ARG 33 -1.045 -10.702 -3.042 219 HB3 ARG 33 2HB ARG 33 -1.726 -11.505 -4.451 220 HG2 ARG 33 1HG ARG 33 0.145 -10.492 -5.795 221 HG3 ARG 33 2HG ARG 33 0.866 -9.997 -4.261 222 HD2 ARG 33 1HD ARG 33 1.769 -12.135 -5.132 223 HD3 ARG 33 2HD ARG 33 1.028 -12.283 -3.539 224 HE ARG 33 HE ARG 33 -0.484 -13.732 -4.438 225 HH11 ARG 33 1HH1 ARG 33 0.925 -11.856 -7.010 226 HH12 ARG 33 2HH1 ARG 33 0.136 -12.748 -8.269 227 HH21 ARG 33 1HH2 ARG 33 -1.529 -14.914 -6.086 228 HH22 ARG 33 2HH2 ARG 33 -1.260 -14.487 -7.742 229 H VAL 34 H VAL 34 -1.916 -8.115 -2.273 230 HA VAL 34 HA VAL 34 -4.174 -9.164 -1.005 231 HB VAL 34 HB VAL 34 -3.987 -7.407 0.585 232 HG11 VAL 34 1HG1 VAL 34 -1.552 -8.630 -0.488 233 HG12 VAL 34 2HG1 VAL 34 -1.270 -7.201 0.508 234 HG13 VAL 34 3HG1 VAL 34 -2.162 -8.574 1.166 235 HG21 VAL 34 3HG2 VAL 34 -4.011 -5.523 -0.970 236 HG22 VAL 34 1HG2 VAL 34 -2.696 -5.370 0.194 237 HG23 VAL 34 2HG2 VAL 34 -2.357 -5.894 -1.455 238 H HIS 35 H HIS 35 -3.836 -6.548 -3.301 239 HA HIS 35 HA HIS 35 -6.507 -5.549 -2.902 240 HB2 HIS 35 1HB HIS 35 -4.368 -4.970 -4.949 241 HB3 HIS 35 2HB HIS 35 -5.965 -4.230 -5.014 242 HD1 HIS 35 HD1 HIS 35 -6.596 -2.679 -2.927 243 HD2 HIS 35 HD2 HIS 35 -2.598 -3.761 -3.248 244 HE1 HIS 35 HE1 HIS 35 -5.346 -1.084 -1.437 245 H THR 36 H THR 36 -4.986 -7.964 -4.840 246 HA THR 36 HA THR 36 -7.364 -8.207 -6.545 247 HB THR 36 HB THR 36 -6.021 -9.691 -7.959 248 HG1 THR 36 HG1 THR 36 -4.651 -10.457 -6.203 249 HG21 THR 36 3HG2 THR 36 -4.664 -8.042 -8.944 250 HG22 THR 36 1HG2 THR 36 -4.357 -7.249 -7.399 251 HG23 THR 36 2HG2 THR 36 -5.951 -7.139 -8.146 252 H GLY 37 H GLY 37 -7.971 -8.971 -4.066 253 HA2 GLY 37 1HA GLY 37 -7.891 -11.923 -4.195 254 HA3 GLY 37 2HA GLY 37 -7.798 -11.042 -2.677 255 H GLU 38 H GLU 38 -9.720 -13.048 -3.344 256 HA GLU 38 HA GLU 38 -12.198 -11.780 -4.027 257 HB2 GLU 38 1HB GLU 38 -11.768 -14.162 -4.500 258 HB3 GLU 38 2HB GLU 38 -11.686 -14.483 -2.773 259 HG2 GLU 38 1HG GLU 38 -13.991 -13.971 -2.487 260 HG3 GLU 38 2HG GLU 38 -14.117 -13.357 -4.135 261 H LYS 39 H LYS 39 -10.375 -12.147 -1.160 262 HA LYS 39 HA LYS 39 -12.652 -11.143 0.415 263 HB2 LYS 39 1HB LYS 39 -10.758 -13.362 1.004 264 HB3 LYS 39 2HB LYS 39 -11.241 -12.334 2.346 265 HG2 LYS 39 1HG LYS 39 -13.653 -12.805 1.407 266 HG3 LYS 39 2HG LYS 39 -12.859 -14.227 0.725 267 HD2 LYS 39 1HD LYS 39 -12.538 -13.507 3.619 268 HD3 LYS 39 2HD LYS 39 -13.938 -14.424 3.056 269 HE2 LYS 39 1HE LYS 39 -12.451 -16.124 2.124 270 HE3 LYS 39 2HE LYS 39 -11.049 -15.202 2.663 271 HZ1 LYS 39 3HZ LYS 39 -11.658 -15.552 4.925 272 HZ2 LYS 39 1HZ LYS 39 -11.678 -17.058 4.154 273 HZ3 LYS 39 2HZ LYS 39 -13.132 -16.261 4.491 274 HA PRO 40 HA PRO 40 -10.100 -7.805 1.680 275 HB2 PRO 40 1HB PRO 40 -10.912 -7.419 4.242 276 HB3 PRO 40 2HB PRO 40 -11.910 -7.001 2.845 277 HG2 PRO 40 1HG PRO 40 -12.025 -9.425 4.597 278 HG3 PRO 40 2HG PRO 40 -13.356 -8.441 3.959 279 HD2 PRO 40 1HD PRO 40 -12.633 -10.806 2.855 280 HD3 PRO 40 2HD PRO 40 -13.289 -9.464 1.895 281 H SER 41 H SER 41 -8.065 -7.558 2.388 282 HA SER 41 HA SER 41 -6.790 -9.729 3.791 283 HB2 SER 41 1HB SER 41 -5.531 -8.727 2.018 284 HB3 SER 41 2HB SER 41 -5.759 -7.111 2.686 285 HG SER 41 HG SER 41 -3.855 -8.935 3.250 286 H GLY 42 H GLY 42 -7.101 -6.223 4.395 287 HA2 GLY 42 1HA GLY 42 -7.825 -6.427 7.075 288 HA3 GLY 42 2HA GLY 42 -6.070 -6.349 7.030 289 HA PRO 43 HA PRO 43 -7.501 -1.999 7.266 290 HB2 PRO 43 1HB PRO 43 -5.423 -1.179 8.808 291 HB3 PRO 43 2HB PRO 43 -6.882 -1.921 9.477 292 HG2 PRO 43 1HG PRO 43 -4.216 -3.160 8.909 293 HG3 PRO 43 2HG PRO 43 -5.268 -3.366 10.322 294 HD2 PRO 43 1HD PRO 43 -5.146 -5.184 8.319 295 HD3 PRO 43 2HD PRO 43 -6.631 -4.880 9.244 296 H SER 44 H SER 44 -6.902 -0.404 5.909 297 HA SER 44 HA SER 44 -4.230 -0.574 4.677 298 HB2 SER 44 1HB SER 44 -6.923 -0.263 3.431 299 HB3 SER 44 2HB SER 44 -5.568 0.591 2.694 300 HG SER 44 HG SER 44 -5.728 -1.442 1.771 301 H SER 45 H SER 45 -3.651 0.931 6.415 302 HA SER 45 HA SER 45 -4.267 3.696 5.632 303 HB2 SER 45 1HB SER 45 -5.588 3.148 7.644 304 HB3 SER 45 2HB SER 45 -4.107 2.692 8.485 305 HG SER 45 HG SER 45 -5.003 4.940 8.743 306 H GLY 46 H GLY 46 -2.033 2.233 4.816 307 HA2 GLY 46 1HA GLY 46 0.221 2.659 4.557 308 HA3 GLY 46 2HA GLY 46 0.061 3.965 5.722 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.049 9.729 16.889 2 HA2 GLY 1 1HA GLY 1 -1.380 7.398 16.865 3 HA3 GLY 1 2HA GLY 1 0.077 6.977 15.977 4 H SER 2 H SER 2 1.674 6.158 17.143 5 HA SER 2 HA SER 2 1.908 6.960 19.966 6 HB2 SER 2 1HB SER 2 2.284 4.162 18.870 7 HB3 SER 2 2HB SER 2 2.518 4.653 20.548 8 HG SER 2 HG SER 2 0.440 4.568 20.843 9 H SER 3 H SER 3 4.117 6.205 20.857 10 HA SER 3 HA SER 3 6.147 7.628 19.762 11 HB2 SER 3 1HB SER 3 7.644 6.471 21.174 12 HB3 SER 3 2HB SER 3 6.086 6.345 21.991 13 HG SER 3 HG SER 3 7.132 4.331 21.924 14 H GLY 4 H GLY 4 7.352 7.538 17.984 15 HA2 GLY 4 1HA GLY 4 7.817 4.934 16.704 16 HA3 GLY 4 2HA GLY 4 7.114 6.232 15.750 17 H SER 5 H SER 5 9.730 4.733 15.623 18 HA SER 5 HA SER 5 11.718 6.755 16.176 19 HB2 SER 5 1HB SER 5 12.188 4.315 16.426 20 HB3 SER 5 2HB SER 5 12.034 4.143 14.678 21 HG SER 5 HG SER 5 14.199 4.407 15.205 22 H SER 6 H SER 6 13.318 7.305 14.403 23 HA SER 6 HA SER 6 12.151 8.848 12.456 24 HB2 SER 6 1HB SER 6 14.849 7.505 12.182 25 HB3 SER 6 2HB SER 6 14.328 9.003 11.412 26 HG SER 6 HG SER 6 14.057 9.809 13.627 27 H GLY 7 H GLY 7 10.902 8.330 10.795 28 HA2 GLY 7 1HA GLY 7 11.271 5.695 9.525 29 HA3 GLY 7 2HA GLY 7 9.776 6.618 9.519 30 H SER 8 H SER 8 13.076 6.540 8.262 31 HA SER 8 HA SER 8 12.128 8.085 5.938 32 HB2 SER 8 1HB SER 8 14.604 8.369 7.573 33 HB3 SER 8 2HB SER 8 14.737 8.637 5.835 34 HG SER 8 HG SER 8 13.989 10.391 7.536 35 H GLY 9 H GLY 9 12.721 7.378 3.919 36 HA2 GLY 9 1HA GLY 9 14.742 5.673 3.186 37 HA3 GLY 9 2HA GLY 9 13.437 4.613 3.698 38 H GLU 10 H GLU 10 14.708 6.479 1.168 39 HA GLU 10 HA GLU 10 12.303 6.901 -0.307 40 HB2 GLU 10 1HB GLU 10 15.187 6.863 -1.214 41 HB3 GLU 10 2HB GLU 10 13.832 7.400 -2.197 42 HG2 GLU 10 1HG GLU 10 14.588 9.400 -1.421 43 HG3 GLU 10 2HG GLU 10 13.409 9.009 -0.170 44 H LYS 11 H LYS 11 11.144 5.434 -1.344 45 HA LYS 11 HA LYS 11 12.471 2.956 -2.231 46 HB2 LYS 11 1HB LYS 11 9.725 3.448 -1.114 47 HB3 LYS 11 2HB LYS 11 10.054 2.034 -2.106 48 HG2 LYS 11 1HG LYS 11 11.585 1.166 -0.543 49 HG3 LYS 11 2HG LYS 11 11.669 2.694 0.337 50 HD2 LYS 11 1HD LYS 11 9.028 1.340 0.085 51 HD3 LYS 11 2HD LYS 11 10.210 0.678 1.217 52 HE2 LYS 11 1HE LYS 11 9.332 3.561 1.178 53 HE3 LYS 11 2HE LYS 11 8.623 2.327 2.219 54 HZ1 LYS 11 3HZ LYS 11 11.441 2.298 2.449 55 HZ2 LYS 11 1HZ LYS 11 10.279 2.571 3.648 56 HZ3 LYS 11 2HZ LYS 11 10.864 3.864 2.728 57 HA PRO 12 HA PRO 12 11.423 4.398 -6.305 58 HB2 PRO 12 1HB PRO 12 12.289 2.190 -7.627 59 HB3 PRO 12 2HB PRO 12 13.387 3.417 -6.984 60 HG2 PRO 12 1HG PRO 12 12.617 0.767 -5.823 61 HG3 PRO 12 2HG PRO 12 14.217 1.527 -5.912 62 HD2 PRO 12 1HD PRO 12 12.718 1.549 -3.658 63 HD3 PRO 12 2HD PRO 12 13.817 2.875 -4.086 64 H PHE 13 H PHE 13 10.334 1.419 -4.846 65 HA PHE 13 HA PHE 13 8.255 1.100 -6.884 66 HB2 PHE 13 1HB PHE 13 8.931 -0.737 -4.580 67 HB3 PHE 13 2HB PHE 13 7.869 -1.096 -5.937 68 HD1 PHE 13 HD1 PHE 13 11.342 -0.696 -4.857 69 HD2 PHE 13 HD2 PHE 13 8.759 -1.662 -8.099 70 HE1 PHE 13 HE1 PHE 13 13.256 -1.607 -6.105 71 HE2 PHE 13 HE2 PHE 13 10.669 -2.576 -9.352 72 HZ PHE 13 HZ PHE 13 12.921 -2.550 -8.356 73 H LYS 14 H LYS 14 6.177 1.572 -6.518 74 HA LYS 14 HA LYS 14 5.231 1.904 -3.770 75 HB2 LYS 14 1HB LYS 14 5.882 4.141 -4.384 76 HB3 LYS 14 2HB LYS 14 5.045 4.013 -5.925 77 HG2 LYS 14 1HG LYS 14 2.948 3.614 -4.412 78 HG3 LYS 14 2HG LYS 14 3.937 4.422 -3.192 79 HD2 LYS 14 1HD LYS 14 4.284 6.279 -4.846 80 HD3 LYS 14 2HD LYS 14 3.084 5.497 -5.876 81 HE2 LYS 14 1HE LYS 14 1.763 6.989 -4.739 82 HE3 LYS 14 2HE LYS 14 1.625 5.572 -3.699 83 HZ1 LYS 14 3HZ LYS 14 2.322 8.023 -2.854 84 HZ2 LYS 14 1HZ LYS 14 3.842 7.312 -3.069 85 HZ3 LYS 14 2HZ LYS 14 2.708 6.589 -2.044 86 H CYS 15 H CYS 15 3.278 1.037 -3.480 87 HA CYS 15 HA CYS 15 1.924 -0.207 -5.672 88 HB2 CYS 15 1HB CYS 15 2.025 -1.169 -3.370 89 HB3 CYS 15 2HB CYS 15 0.974 0.132 -2.820 90 H GLU 16 H GLU 16 0.753 0.931 -7.068 91 HA GLU 16 HA GLU 16 -0.353 3.478 -6.512 92 HB2 GLU 16 1HB GLU 16 -1.403 1.793 -8.743 93 HB3 GLU 16 2HB GLU 16 -1.036 3.512 -8.719 94 HG2 GLU 16 1HG GLU 16 0.686 2.791 -9.999 95 HG3 GLU 16 2HG GLU 16 1.429 2.619 -8.410 96 H GLU 17 H GLU 17 -1.536 0.242 -6.160 97 HA GLU 17 HA GLU 17 -4.287 0.638 -6.222 98 HB2 GLU 17 1HB GLU 17 -2.817 -1.224 -4.351 99 HB3 GLU 17 2HB GLU 17 -4.477 -1.381 -4.909 100 HG2 GLU 17 1HG GLU 17 -3.410 -1.467 -7.268 101 HG3 GLU 17 2HG GLU 17 -1.933 -1.863 -6.391 102 H CYS 18 H CYS 18 -2.132 0.722 -3.383 103 HA CYS 18 HA CYS 18 -4.189 2.306 -1.988 104 HB2 CYS 18 1HB CYS 18 -3.260 1.454 0.113 105 HB3 CYS 18 2HB CYS 18 -3.770 0.131 -0.929 106 H GLY 19 H GLY 19 -0.728 1.943 -2.600 107 HA2 GLY 19 1HA GLY 19 0.412 4.101 -3.102 108 HA3 GLY 19 2HA GLY 19 -0.364 4.719 -1.651 109 H LYS 20 H LYS 20 0.722 1.476 -1.500 110 HA LYS 20 HA LYS 20 2.485 2.004 0.643 111 HB2 LYS 20 1HB LYS 20 1.686 -0.365 -0.943 112 HB3 LYS 20 2HB LYS 20 3.242 -0.469 -0.131 113 HG2 LYS 20 1HG LYS 20 1.797 0.422 1.912 114 HG3 LYS 20 2HG LYS 20 0.509 -0.370 1.001 115 HD2 LYS 20 1HD LYS 20 1.530 -2.467 1.157 116 HD3 LYS 20 2HD LYS 20 3.100 -1.773 1.570 117 HE2 LYS 20 1HE LYS 20 2.517 -1.420 3.764 118 HE3 LYS 20 2HE LYS 20 0.796 -1.301 3.399 119 HZ1 LYS 20 3HZ LYS 20 2.455 -3.726 3.684 120 HZ2 LYS 20 1HZ LYS 20 0.995 -3.770 2.829 121 HZ3 LYS 20 2HZ LYS 20 1.005 -3.335 4.464 122 H ARG 21 H ARG 21 4.777 0.730 0.403 123 HA ARG 21 HA ARG 21 6.131 1.526 -2.046 124 HB2 ARG 21 1HB ARG 21 6.952 2.581 0.667 125 HB3 ARG 21 2HB ARG 21 7.874 2.773 -0.818 126 HG2 ARG 21 1HG ARG 21 5.676 3.872 -1.699 127 HG3 ARG 21 2HG ARG 21 5.333 4.083 0.019 128 HD2 ARG 21 1HD ARG 21 7.950 4.927 -1.186 129 HD3 ARG 21 2HD ARG 21 6.538 5.983 -1.208 130 HE ARG 21 HE ARG 21 8.166 5.295 1.075 131 HH11 ARG 21 1HH1 ARG 21 5.112 6.540 -0.040 132 HH12 ARG 21 2HH1 ARG 21 4.768 7.381 1.435 133 HH21 ARG 21 1HH2 ARG 21 7.724 6.397 3.023 134 HH22 ARG 21 2HH2 ARG 21 6.254 7.299 3.177 135 H PHE 22 H PHE 22 8.181 0.540 -2.326 136 HA PHE 22 HA PHE 22 9.113 -1.340 -0.325 137 HB2 PHE 22 1HB PHE 22 8.418 -2.378 -3.072 138 HB3 PHE 22 2HB PHE 22 8.918 -3.306 -1.661 139 HD1 PHE 22 HD2 PHE 22 6.169 -1.336 -3.129 140 HD2 PHE 22 HD1 PHE 22 7.352 -4.016 -0.040 141 HE1 PHE 22 HE2 PHE 22 3.808 -1.675 -2.523 142 HE2 PHE 22 HE1 PHE 22 4.993 -4.360 0.569 143 HZ PHE 22 HZ PHE 22 3.217 -3.188 -0.672 144 H THR 23 H THR 23 11.214 -2.196 -0.788 145 HA THR 23 HA THR 23 12.819 -0.353 -2.343 146 HB THR 23 HB THR 23 13.475 -1.226 -0.047 147 HG1 THR 23 HG1 THR 23 15.042 -1.018 -2.325 148 HG21 THR 23 3HG2 THR 23 14.016 -3.694 -1.693 149 HG22 THR 23 1HG2 THR 23 12.997 -3.556 -0.261 150 HG23 THR 23 2HG2 THR 23 14.747 -3.396 -0.117 151 H GLN 24 H GLN 24 11.274 -3.292 -2.893 152 HA GLN 24 HA GLN 24 12.744 -3.639 -5.387 153 HB2 GLN 24 1HB GLN 24 12.727 -5.560 -3.136 154 HB3 GLN 24 2HB GLN 24 12.461 -6.244 -4.734 155 HG2 GLN 24 1HG GLN 24 14.835 -4.661 -3.792 156 HG3 GLN 24 2HG GLN 24 14.786 -6.361 -4.253 157 HE21 GLN 24 1HE2 GLN 24 13.237 -6.146 -6.561 158 HE22 GLN 24 2HE2 GLN 24 14.154 -5.314 -7.765 159 H ASN 25 H ASN 25 11.561 -4.644 -7.028 160 HA ASN 25 HA ASN 25 8.817 -4.197 -7.060 161 HB2 ASN 25 1HB ASN 25 8.836 -5.041 -9.209 162 HB3 ASN 25 2HB ASN 25 10.544 -4.667 -8.993 163 HD21 ASN 25 1HD2 ASN 25 11.883 -6.486 -8.142 164 HD22 ASN 25 2HD2 ASN 25 11.546 -8.068 -8.752 165 H SER 26 H SER 26 10.519 -7.320 -6.795 166 HA SER 26 HA SER 26 8.516 -9.099 -6.616 167 HB2 SER 26 1HB SER 26 10.973 -8.921 -4.867 168 HB3 SER 26 2HB SER 26 9.897 -10.318 -4.870 169 HG SER 26 HG SER 26 10.907 -9.362 -7.305 170 H GLN 27 H GLN 27 9.454 -6.851 -4.061 171 HA GLN 27 HA GLN 27 7.688 -7.857 -2.090 172 HB2 GLN 27 1HB GLN 27 8.984 -5.149 -2.417 173 HB3 GLN 27 2HB GLN 27 8.051 -5.619 -1.003 174 HG2 GLN 27 1HG GLN 27 9.660 -7.552 -0.750 175 HG3 GLN 27 2HG GLN 27 10.657 -6.753 -1.963 176 HE21 GLN 27 1HE2 GLN 27 10.587 -4.180 -1.353 177 HE22 GLN 27 2HE2 GLN 27 11.195 -3.885 0.237 178 H LEU 28 H LEU 28 7.452 -4.980 -4.185 179 HA LEU 28 HA LEU 28 4.868 -4.231 -3.422 180 HB2 LEU 28 1HB LEU 28 6.246 -2.695 -4.611 181 HB3 LEU 28 2HB LEU 28 6.398 -3.798 -5.977 182 HG LEU 28 HG LEU 28 4.053 -3.445 -6.541 183 HD11 LEU 28 1HD1 LEU 28 2.593 -2.104 -5.344 184 HD12 LEU 28 2HD1 LEU 28 3.891 -1.283 -4.479 185 HD13 LEU 28 3HD1 LEU 28 3.474 -2.947 -4.070 186 HD21 LEU 28 3HD2 LEU 28 4.268 -0.859 -6.890 187 HD22 LEU 28 1HD2 LEU 28 5.344 -1.970 -7.739 188 HD23 LEU 28 2HD2 LEU 28 5.910 -1.123 -6.299 189 H HIS 29 H HIS 29 5.900 -6.073 -6.297 190 HA HIS 29 HA HIS 29 3.350 -6.633 -7.282 191 HB2 HIS 29 1HB HIS 29 5.976 -8.089 -7.547 192 HB3 HIS 29 2HB HIS 29 4.516 -8.639 -8.364 193 HD1 HIS 29 HD1 HIS 29 7.082 -7.641 -9.862 194 HD2 HIS 29 HD2 HIS 29 3.702 -5.352 -9.089 195 HE1 HIS 29 HE1 HIS 29 7.098 -5.814 -11.590 196 H SER 30 H SER 30 5.123 -8.040 -4.658 197 HA SER 30 HA SER 30 3.460 -10.397 -4.493 198 HB2 SER 30 1HB SER 30 5.683 -10.749 -3.767 199 HB3 SER 30 2HB SER 30 5.682 -9.283 -2.787 200 HG SER 30 HG SER 30 5.120 -11.715 -1.997 201 H HIS 31 H HIS 31 3.431 -7.181 -3.280 202 HA HIS 31 HA HIS 31 1.604 -7.798 -1.104 203 HB2 HIS 31 1HB HIS 31 2.931 -6.073 -0.387 204 HB3 HIS 31 2HB HIS 31 3.117 -5.400 -2.003 205 HD1 HIS 31 HD1 HIS 31 0.715 -5.448 0.898 206 HD2 HIS 31 HD2 HIS 31 1.344 -3.390 -2.656 207 HE1 HIS 31 HE1 HIS 31 -0.870 -3.497 0.962 208 H GLN 32 H GLN 32 1.567 -6.118 -4.221 209 HA GLN 32 HA GLN 32 -0.942 -5.033 -4.243 210 HB2 GLN 32 1HB GLN 32 0.704 -6.303 -6.404 211 HB3 GLN 32 2HB GLN 32 -0.910 -5.705 -6.761 212 HG2 GLN 32 1HG GLN 32 -0.274 -3.481 -6.040 213 HG3 GLN 32 2HG GLN 32 1.330 -4.064 -5.600 214 HE21 GLN 32 1HE2 GLN 32 1.881 -2.256 -7.094 215 HE22 GLN 32 2HE2 GLN 32 2.029 -2.629 -8.774 216 H ARG 33 H ARG 33 -0.085 -8.387 -4.312 217 HA ARG 33 HA ARG 33 -2.330 -9.555 -5.433 218 HB2 ARG 33 1HB ARG 33 -0.984 -10.692 -2.994 219 HB3 ARG 33 2HB ARG 33 -1.705 -11.553 -4.347 220 HG2 ARG 33 1HG ARG 33 0.128 -10.480 -5.770 221 HG3 ARG 33 2HG ARG 33 0.909 -10.096 -4.235 222 HD2 ARG 33 1HD ARG 33 1.805 -12.166 -5.045 223 HD3 ARG 33 2HD ARG 33 0.794 -12.506 -3.641 224 HE ARG 33 HE ARG 33 -0.656 -13.669 -4.995 225 HH11 ARG 33 1HH1 ARG 33 1.599 -11.876 -6.951 226 HH12 ARG 33 2HH1 ARG 33 1.131 -12.649 -8.430 227 HH21 ARG 33 1HH2 ARG 33 -1.280 -14.694 -6.935 228 HH22 ARG 33 2HH2 ARG 33 -0.507 -14.251 -8.419 229 H VAL 34 H VAL 34 -1.892 -8.161 -2.248 230 HA VAL 34 HA VAL 34 -4.117 -9.193 -0.934 231 HB VAL 34 HB VAL 34 -3.966 -7.356 0.586 232 HG11 VAL 34 1HG1 VAL 34 -1.520 -8.619 -0.425 233 HG12 VAL 34 2HG1 VAL 34 -1.256 -7.164 0.538 234 HG13 VAL 34 3HG1 VAL 34 -2.154 -8.522 1.217 235 HG21 VAL 34 3HG2 VAL 34 -2.564 -5.368 0.081 236 HG22 VAL 34 1HG2 VAL 34 -2.401 -5.952 -1.575 237 HG23 VAL 34 2HG2 VAL 34 -3.988 -5.504 -0.950 238 H HIS 35 H HIS 35 -3.865 -6.611 -3.286 239 HA HIS 35 HA HIS 35 -6.567 -5.693 -2.890 240 HB2 HIS 35 1HB HIS 35 -4.492 -5.076 -4.997 241 HB3 HIS 35 2HB HIS 35 -6.092 -4.341 -4.966 242 HD1 HIS 35 HD1 HIS 35 -6.620 -2.907 -2.727 243 HD2 HIS 35 HD2 HIS 35 -2.632 -3.798 -3.476 244 HE1 HIS 35 HE1 HIS 35 -5.296 -1.306 -1.310 245 H THR 36 H THR 36 -4.938 -8.018 -4.881 246 HA THR 36 HA THR 36 -7.129 -8.287 -6.750 247 HB THR 36 HB THR 36 -5.829 -10.114 -7.734 248 HG1 THR 36 HG1 THR 36 -4.425 -11.123 -6.527 249 HG21 THR 36 3HG2 THR 36 -4.971 -8.328 -8.797 250 HG22 THR 36 1HG2 THR 36 -3.550 -8.605 -7.791 251 HG23 THR 36 2HG2 THR 36 -4.760 -7.420 -7.300 252 H GLY 37 H GLY 37 -7.905 -8.674 -4.056 253 HA2 GLY 37 1HA GLY 37 -8.789 -11.477 -4.221 254 HA3 GLY 37 2HA GLY 37 -8.117 -10.865 -2.716 255 H GLU 38 H GLU 38 -9.211 -8.693 -2.030 256 HA GLU 38 HA GLU 38 -11.971 -9.302 -1.613 257 HB2 GLU 38 1HB GLU 38 -12.015 -7.210 -0.320 258 HB3 GLU 38 2HB GLU 38 -10.661 -8.234 0.137 259 HG2 GLU 38 1HG GLU 38 -9.353 -6.787 -1.594 260 HG3 GLU 38 2HG GLU 38 -10.665 -5.641 -1.328 261 H LYS 39 H LYS 39 -13.744 -8.508 -2.589 262 HA LYS 39 HA LYS 39 -13.922 -7.662 -5.108 263 HB2 LYS 39 1HB LYS 39 -15.767 -7.982 -3.258 264 HB3 LYS 39 2HB LYS 39 -15.681 -6.228 -3.158 265 HG2 LYS 39 1HG LYS 39 -16.195 -6.070 -5.546 266 HG3 LYS 39 2HG LYS 39 -16.298 -7.830 -5.633 267 HD2 LYS 39 1HD LYS 39 -18.201 -7.872 -4.208 268 HD3 LYS 39 2HD LYS 39 -17.999 -6.171 -3.781 269 HE2 LYS 39 1HE LYS 39 -18.303 -5.744 -6.311 270 HE3 LYS 39 2HE LYS 39 -18.970 -7.376 -6.349 271 HZ1 LYS 39 3HZ LYS 39 -20.377 -5.140 -5.809 272 HZ2 LYS 39 1HZ LYS 39 -20.050 -5.721 -4.254 273 HZ3 LYS 39 2HZ LYS 39 -20.847 -6.706 -5.373 274 HA PRO 40 HA PRO 40 -11.892 -3.755 -5.449 275 HB2 PRO 40 1HB PRO 40 -12.868 -3.041 -7.880 276 HB3 PRO 40 2HB PRO 40 -11.617 -4.273 -7.671 277 HG2 PRO 40 1HG PRO 40 -14.562 -4.616 -8.089 278 HG3 PRO 40 2HG PRO 40 -13.216 -5.510 -8.820 279 HD2 PRO 40 1HD PRO 40 -14.658 -6.486 -6.747 280 HD3 PRO 40 2HD PRO 40 -12.935 -6.850 -6.966 281 H SER 41 H SER 41 -12.355 -1.734 -4.801 282 HA SER 41 HA SER 41 -15.172 -0.869 -4.877 283 HB2 SER 41 1HB SER 41 -14.709 0.381 -2.772 284 HB3 SER 41 2HB SER 41 -14.548 -1.365 -2.583 285 HG SER 41 HG SER 41 -12.436 0.497 -2.947 286 H GLY 42 H GLY 42 -15.561 1.383 -5.138 287 HA2 GLY 42 1HA GLY 42 -15.220 3.421 -6.136 288 HA3 GLY 42 2HA GLY 42 -13.603 3.352 -5.451 289 HA PRO 43 HA PRO 43 -13.352 3.278 -10.114 290 HB2 PRO 43 1HB PRO 43 -11.649 5.382 -10.320 291 HB3 PRO 43 2HB PRO 43 -13.407 5.569 -10.287 292 HG2 PRO 43 1HG PRO 43 -11.424 5.914 -8.071 293 HG3 PRO 43 2HG PRO 43 -12.822 6.922 -8.489 294 HD2 PRO 43 1HD PRO 43 -12.881 5.109 -6.478 295 HD3 PRO 43 2HD PRO 43 -14.313 5.503 -7.450 296 H SER 44 H SER 44 -12.039 1.665 -10.684 297 HA SER 44 HA SER 44 -9.360 1.513 -9.491 298 HB2 SER 44 1HB SER 44 -11.152 -0.538 -10.778 299 HB3 SER 44 2HB SER 44 -9.430 -0.840 -10.548 300 HG SER 44 HG SER 44 -10.091 -0.039 -8.252 301 H SER 45 H SER 45 -7.559 0.903 -10.869 302 HA SER 45 HA SER 45 -7.684 2.310 -13.414 303 HB2 SER 45 1HB SER 45 -5.192 1.979 -13.394 304 HB3 SER 45 2HB SER 45 -5.813 2.878 -12.010 305 HG SER 45 HG SER 45 -5.668 0.136 -11.686 306 H GLY 46 H GLY 46 -6.660 1.374 -15.341 307 HA2 GLY 46 1HA GLY 46 -6.828 -1.570 -15.413 308 HA3 GLY 46 2HA GLY 46 -7.660 -0.599 -16.618 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.009 8.341 27.148 2 HA2 GLY 1 1HA GLY 1 1.251 10.677 26.230 3 HA3 GLY 1 2HA GLY 1 2.451 9.395 26.292 4 H SER 2 H SER 2 2.095 10.376 23.889 5 HA SER 2 HA SER 2 0.113 8.714 22.507 6 HB2 SER 2 1HB SER 2 0.368 11.262 22.116 7 HB3 SER 2 2HB SER 2 1.804 10.827 21.189 8 HG SER 2 HG SER 2 0.138 9.247 20.195 9 H SER 3 H SER 3 0.704 7.449 20.690 10 HA SER 3 HA SER 3 3.572 6.820 20.487 11 HB2 SER 3 1HB SER 3 2.687 5.033 21.793 12 HB3 SER 3 2HB SER 3 1.266 4.889 20.759 13 HG SER 3 HG SER 3 3.830 3.911 20.403 14 H GLY 4 H GLY 4 3.610 8.123 18.592 15 HA2 GLY 4 1HA GLY 4 2.698 6.661 16.231 16 HA3 GLY 4 2HA GLY 4 2.123 8.312 16.418 17 H SER 5 H SER 5 4.670 6.312 15.370 18 HA SER 5 HA SER 5 6.251 8.697 14.690 19 HB2 SER 5 1HB SER 5 7.215 6.112 15.898 20 HB3 SER 5 2HB SER 5 8.295 7.145 14.962 21 HG SER 5 HG SER 5 7.623 8.862 16.447 22 H SER 6 H SER 6 5.602 8.767 12.575 23 HA SER 6 HA SER 6 6.660 6.654 10.860 24 HB2 SER 6 1HB SER 6 4.602 6.526 9.538 25 HB3 SER 6 2HB SER 6 4.284 6.080 11.214 26 HG SER 6 HG SER 6 2.692 7.496 10.535 27 H GLY 7 H GLY 7 8.098 7.761 9.694 28 HA2 GLY 7 1HA GLY 7 7.464 10.490 8.836 29 HA3 GLY 7 2HA GLY 7 9.049 9.731 8.784 30 H SER 8 H SER 8 9.745 9.413 6.790 31 HA SER 8 HA SER 8 8.023 8.177 4.818 32 HB2 SER 8 1HB SER 8 8.418 9.921 3.112 33 HB3 SER 8 2HB SER 8 7.506 10.546 4.486 34 HG SER 8 HG SER 8 9.645 11.587 3.512 35 H GLY 9 H GLY 9 9.152 6.824 3.558 36 HA2 GLY 9 1HA GLY 9 12.096 7.075 3.609 37 HA3 GLY 9 2HA GLY 9 11.243 5.539 3.558 38 H GLU 10 H GLU 10 13.276 6.725 1.744 39 HA GLU 10 HA GLU 10 11.884 7.307 -0.708 40 HB2 GLU 10 1HB GLU 10 14.770 6.964 0.047 41 HB3 GLU 10 2HB GLU 10 14.290 7.045 -1.642 42 HG2 GLU 10 1HG GLU 10 13.203 9.230 -1.161 43 HG3 GLU 10 2HG GLU 10 13.882 9.153 0.464 44 H LYS 11 H LYS 11 10.967 5.808 -1.926 45 HA LYS 11 HA LYS 11 12.327 3.238 -2.293 46 HB2 LYS 11 1HB LYS 11 9.515 3.663 -1.341 47 HB3 LYS 11 2HB LYS 11 9.916 2.236 -2.287 48 HG2 LYS 11 1HG LYS 11 11.305 1.377 -0.641 49 HG3 LYS 11 2HG LYS 11 11.510 2.945 0.142 50 HD2 LYS 11 1HD LYS 11 9.039 2.840 0.691 51 HD3 LYS 11 2HD LYS 11 9.089 1.154 0.172 52 HE2 LYS 11 1HE LYS 11 11.001 2.212 2.227 53 HE3 LYS 11 2HE LYS 11 9.381 1.678 2.675 54 HZ1 LYS 11 3HZ LYS 11 10.086 -0.425 1.325 55 HZ2 LYS 11 1HZ LYS 11 10.559 -0.242 2.939 56 HZ3 LYS 11 2HZ LYS 11 11.651 0.103 1.693 57 HA PRO 12 HA PRO 12 11.496 4.321 -6.514 58 HB2 PRO 12 1HB PRO 12 12.413 2.015 -7.615 59 HB3 PRO 12 2HB PRO 12 13.485 3.280 -7.003 60 HG2 PRO 12 1HG PRO 12 12.624 0.730 -5.693 61 HG3 PRO 12 2HG PRO 12 14.233 1.472 -5.747 62 HD2 PRO 12 1HD PRO 12 12.608 1.673 -3.590 63 HD3 PRO 12 2HD PRO 12 13.744 2.957 -4.053 64 H PHE 13 H PHE 13 10.194 1.604 -4.813 65 HA PHE 13 HA PHE 13 8.202 1.191 -6.941 66 HB2 PHE 13 1HB PHE 13 8.930 -0.676 -4.674 67 HB3 PHE 13 2HB PHE 13 7.811 -1.019 -5.990 68 HD1 PHE 13 HD1 PHE 13 11.318 -0.685 -5.030 69 HD2 PHE 13 HD2 PHE 13 8.618 -1.516 -8.214 70 HE1 PHE 13 HE1 PHE 13 13.177 -1.587 -6.366 71 HE2 PHE 13 HE2 PHE 13 10.472 -2.421 -9.554 72 HZ PHE 13 HZ PHE 13 12.755 -2.458 -8.631 73 H LYS 14 H LYS 14 6.110 1.608 -6.555 74 HA LYS 14 HA LYS 14 5.188 1.929 -3.798 75 HB2 LYS 14 1HB LYS 14 5.820 4.175 -4.485 76 HB3 LYS 14 2HB LYS 14 4.872 4.021 -5.959 77 HG2 LYS 14 1HG LYS 14 2.867 3.671 -4.400 78 HG3 LYS 14 2HG LYS 14 3.918 4.313 -3.135 79 HD2 LYS 14 1HD LYS 14 4.276 6.337 -4.498 80 HD3 LYS 14 2HD LYS 14 3.165 5.696 -5.711 81 HE2 LYS 14 1HE LYS 14 1.424 5.590 -3.893 82 HE3 LYS 14 2HE LYS 14 2.544 6.490 -2.872 83 HZ1 LYS 14 3HZ LYS 14 2.314 7.799 -5.346 84 HZ2 LYS 14 1HZ LYS 14 1.867 8.358 -3.813 85 HZ3 LYS 14 2HZ LYS 14 0.757 7.499 -4.757 86 H CYS 15 H CYS 15 3.268 1.002 -3.487 87 HA CYS 15 HA CYS 15 1.912 -0.273 -5.653 88 HB2 CYS 15 1HB CYS 15 2.045 -1.221 -3.353 89 HB3 CYS 15 2HB CYS 15 0.993 0.074 -2.792 90 H GLU 16 H GLU 16 0.858 0.976 -7.076 91 HA GLU 16 HA GLU 16 -0.342 3.453 -6.509 92 HB2 GLU 16 1HB GLU 16 -1.351 1.756 -8.752 93 HB3 GLU 16 2HB GLU 16 -1.019 3.482 -8.720 94 HG2 GLU 16 1HG GLU 16 0.727 2.805 -9.990 95 HG3 GLU 16 2HG GLU 16 1.463 2.632 -8.397 96 H GLU 17 H GLU 17 -1.474 0.201 -6.160 97 HA GLU 17 HA GLU 17 -4.227 0.530 -6.251 98 HB2 GLU 17 1HB GLU 17 -2.786 -1.248 -4.284 99 HB3 GLU 17 2HB GLU 17 -4.395 -1.477 -4.953 100 HG2 GLU 17 1HG GLU 17 -3.145 -1.555 -7.230 101 HG3 GLU 17 2HG GLU 17 -1.736 -1.906 -6.231 102 H CYS 18 H CYS 18 -2.124 0.710 -3.376 103 HA CYS 18 HA CYS 18 -4.222 2.311 -2.063 104 HB2 CYS 18 1HB CYS 18 -3.323 1.493 0.084 105 HB3 CYS 18 2HB CYS 18 -3.887 0.174 -0.936 106 H GLY 19 H GLY 19 -0.751 1.920 -2.579 107 HA2 GLY 19 1HA GLY 19 0.385 4.098 -3.072 108 HA3 GLY 19 2HA GLY 19 -0.381 4.686 -1.603 109 H LYS 20 H LYS 20 0.668 1.440 -1.488 110 HA LYS 20 HA LYS 20 2.467 1.932 0.632 111 HB2 LYS 20 1HB LYS 20 1.632 -0.423 -0.967 112 HB3 LYS 20 2HB LYS 20 3.177 -0.547 -0.136 113 HG2 LYS 20 1HG LYS 20 1.829 0.278 1.929 114 HG3 LYS 20 2HG LYS 20 0.433 -0.277 1.001 115 HD2 LYS 20 1HD LYS 20 0.960 -2.176 2.191 116 HD3 LYS 20 2HD LYS 20 1.872 -2.444 0.704 117 HE2 LYS 20 1HE LYS 20 3.296 -2.958 2.557 118 HE3 LYS 20 2HE LYS 20 3.863 -1.456 1.830 119 HZ1 LYS 20 3HZ LYS 20 2.861 -1.937 4.471 120 HZ2 LYS 20 1HZ LYS 20 2.097 -0.628 3.720 121 HZ3 LYS 20 2HZ LYS 20 3.780 -0.643 3.885 122 H ARG 21 H ARG 21 4.743 0.670 0.388 123 HA ARG 21 HA ARG 21 6.079 1.408 -2.089 124 HB2 ARG 21 1HB ARG 21 6.942 2.517 0.589 125 HB3 ARG 21 2HB ARG 21 7.825 2.693 -0.922 126 HG2 ARG 21 1HG ARG 21 5.575 3.754 -1.751 127 HG3 ARG 21 2HG ARG 21 5.317 4.015 -0.025 128 HD2 ARG 21 1HD ARG 21 7.804 4.922 -0.175 129 HD3 ARG 21 2HD ARG 21 7.336 5.202 -1.852 130 HE ARG 21 HE ARG 21 5.309 6.245 -0.285 131 HH11 ARG 21 1HH1 ARG 21 8.713 6.787 -0.773 132 HH12 ARG 21 2HH1 ARG 21 8.634 8.473 -0.381 133 HH21 ARG 21 1HH2 ARG 21 5.192 8.463 0.233 134 HH22 ARG 21 2HH2 ARG 21 6.630 9.425 0.193 135 H PHE 22 H PHE 22 8.220 0.502 -2.277 136 HA PHE 22 HA PHE 22 9.117 -1.368 -0.266 137 HB2 PHE 22 1HB PHE 22 8.469 -2.461 -3.002 138 HB3 PHE 22 2HB PHE 22 8.938 -3.357 -1.561 139 HD1 PHE 22 HD2 PHE 22 6.224 -1.347 -3.065 140 HD2 PHE 22 HD1 PHE 22 7.333 -4.111 -0.024 141 HE1 PHE 22 HE2 PHE 22 3.851 -1.676 -2.504 142 HE2 PHE 22 HE1 PHE 22 4.962 -4.445 0.542 143 HZ PHE 22 HZ PHE 22 3.218 -3.226 -0.698 144 H THR 23 H THR 23 11.228 -2.218 -0.699 145 HA THR 23 HA THR 23 12.847 -0.378 -2.228 146 HB THR 23 HB THR 23 13.579 -1.176 0.001 147 HG1 THR 23 HG1 THR 23 15.368 -2.069 -2.023 148 HG21 THR 23 3HG2 THR 23 13.280 -3.786 -1.334 149 HG22 THR 23 1HG2 THR 23 13.148 -3.364 0.373 150 HG23 THR 23 2HG2 THR 23 14.736 -3.599 -0.357 151 H GLN 24 H GLN 24 11.289 -3.301 -2.842 152 HA GLN 24 HA GLN 24 12.807 -3.622 -5.319 153 HB2 GLN 24 1HB GLN 24 12.605 -5.604 -3.126 154 HB3 GLN 24 2HB GLN 24 12.390 -6.224 -4.757 155 HG2 GLN 24 1HG GLN 24 14.776 -4.736 -3.689 156 HG3 GLN 24 2HG GLN 24 14.689 -6.445 -4.116 157 HE21 GLN 24 1HE2 GLN 24 13.249 -6.212 -6.500 158 HE22 GLN 24 2HE2 GLN 24 14.257 -5.446 -7.676 159 H ASN 25 H ASN 25 11.670 -4.900 -6.939 160 HA ASN 25 HA ASN 25 8.925 -4.212 -7.080 161 HB2 ASN 25 1HB ASN 25 8.954 -5.615 -9.168 162 HB3 ASN 25 2HB ASN 25 10.178 -4.351 -9.120 163 HD21 ASN 25 1HD2 ASN 25 12.347 -4.926 -8.770 164 HD22 ASN 25 2HD2 ASN 25 12.909 -6.532 -9.071 165 H SER 26 H SER 26 10.592 -7.327 -6.675 166 HA SER 26 HA SER 26 8.500 -9.072 -6.654 167 HB2 SER 26 1HB SER 26 10.990 -9.546 -6.270 168 HB3 SER 26 2HB SER 26 10.670 -9.233 -4.565 169 HG SER 26 HG SER 26 10.061 -11.420 -6.083 170 H GLN 27 H GLN 27 9.466 -6.887 -4.065 171 HA GLN 27 HA GLN 27 7.687 -7.902 -2.106 172 HB2 GLN 27 1HB GLN 27 9.004 -5.198 -2.387 173 HB3 GLN 27 2HB GLN 27 8.087 -5.702 -0.974 174 HG2 GLN 27 1HG GLN 27 9.695 -7.648 -0.796 175 HG3 GLN 27 2HG GLN 27 10.681 -6.811 -1.995 176 HE21 GLN 27 1HE2 GLN 27 10.831 -4.330 -1.371 177 HE22 GLN 27 2HE2 GLN 27 11.371 -4.056 0.247 178 H LEU 28 H LEU 28 7.494 -4.993 -4.161 179 HA LEU 28 HA LEU 28 4.931 -4.202 -3.390 180 HB2 LEU 28 1HB LEU 28 6.315 -2.687 -4.589 181 HB3 LEU 28 2HB LEU 28 6.460 -3.799 -5.949 182 HG LEU 28 HG LEU 28 4.131 -3.418 -6.536 183 HD11 LEU 28 1HD1 LEU 28 2.657 -2.101 -5.340 184 HD12 LEU 28 2HD1 LEU 28 3.943 -1.266 -4.469 185 HD13 LEU 28 3HD1 LEU 28 3.539 -2.933 -4.058 186 HD21 LEU 28 3HD2 LEU 28 4.303 -1.018 -7.145 187 HD22 LEU 28 1HD2 LEU 28 5.747 -1.951 -7.542 188 HD23 LEU 28 2HD2 LEU 28 5.739 -0.899 -6.126 189 H HIS 29 H HIS 29 5.894 -6.046 -6.288 190 HA HIS 29 HA HIS 29 3.318 -6.566 -7.230 191 HB2 HIS 29 1HB HIS 29 5.945 -7.992 -7.574 192 HB3 HIS 29 2HB HIS 29 4.471 -8.609 -8.313 193 HD1 HIS 29 HD1 HIS 29 5.475 -8.167 -10.673 194 HD2 HIS 29 HD2 HIS 29 4.982 -4.762 -8.344 195 HE1 HIS 29 HE1 HIS 29 5.725 -6.229 -12.255 196 H SER 30 H SER 30 5.130 -8.022 -4.659 197 HA SER 30 HA SER 30 3.472 -10.375 -4.485 198 HB2 SER 30 1HB SER 30 5.765 -10.594 -3.785 199 HB3 SER 30 2HB SER 30 5.603 -9.247 -2.659 200 HG SER 30 HG SER 30 4.435 -10.486 -1.316 201 H HIS 31 H HIS 31 3.448 -7.165 -3.225 202 HA HIS 31 HA HIS 31 1.589 -7.810 -1.085 203 HB2 HIS 31 1HB HIS 31 2.930 -6.114 -0.320 204 HB3 HIS 31 2HB HIS 31 3.128 -5.404 -1.920 205 HD1 HIS 31 HD1 HIS 31 0.926 -5.333 1.088 206 HD2 HIS 31 HD2 HIS 31 1.152 -3.543 -2.655 207 HE1 HIS 31 HE1 HIS 31 -0.704 -3.420 1.159 208 H GLN 32 H GLN 32 1.603 -6.116 -4.188 209 HA GLN 32 HA GLN 32 -0.900 -4.995 -4.210 210 HB2 GLN 32 1HB GLN 32 0.762 -6.233 -6.380 211 HB3 GLN 32 2HB GLN 32 -0.839 -5.601 -6.739 212 HG2 GLN 32 1HG GLN 32 -0.200 -3.405 -6.043 213 HG3 GLN 32 2HG GLN 32 1.353 -3.995 -5.453 214 HE21 GLN 32 1HE2 GLN 32 1.757 -2.047 -7.008 215 HE22 GLN 32 2HE2 GLN 32 2.169 -2.495 -8.625 216 H ARG 33 H ARG 33 -0.074 -8.340 -4.246 217 HA ARG 33 HA ARG 33 -2.315 -9.471 -5.449 218 HB2 ARG 33 1HB ARG 33 -0.990 -10.684 -3.036 219 HB3 ARG 33 2HB ARG 33 -1.698 -11.499 -4.424 220 HG2 ARG 33 1HG ARG 33 0.137 -10.498 -5.818 221 HG3 ARG 33 2HG ARG 33 0.887 -9.973 -4.309 222 HD2 ARG 33 1HD ARG 33 1.026 -12.272 -3.547 223 HD3 ARG 33 2HD ARG 33 0.192 -12.825 -4.999 224 HE ARG 33 HE ARG 33 2.315 -11.571 -6.036 225 HH11 ARG 33 1HH1 ARG 33 2.037 -13.898 -3.462 226 HH12 ARG 33 2HH1 ARG 33 3.604 -14.584 -3.737 227 HH21 ARG 33 1HH2 ARG 33 4.381 -12.465 -6.407 228 HH22 ARG 33 2HH2 ARG 33 4.937 -13.768 -5.412 229 H VAL 34 H VAL 34 -1.889 -8.114 -2.255 230 HA VAL 34 HA VAL 34 -4.129 -9.181 -0.970 231 HB VAL 34 HB VAL 34 -3.949 -7.411 0.616 232 HG11 VAL 34 1HG1 VAL 34 -2.141 -8.627 1.179 233 HG12 VAL 34 2HG1 VAL 34 -1.496 -8.620 -0.464 234 HG13 VAL 34 3HG1 VAL 34 -1.248 -7.226 0.588 235 HG21 VAL 34 3HG2 VAL 34 -3.972 -5.492 -0.816 236 HG22 VAL 34 1HG2 VAL 34 -2.512 -5.419 0.171 237 HG23 VAL 34 2HG2 VAL 34 -2.413 -5.930 -1.514 238 H HIS 35 H HIS 35 -3.846 -6.653 -3.341 239 HA HIS 35 HA HIS 35 -6.510 -5.628 -2.892 240 HB2 HIS 35 1HB HIS 35 -4.395 -5.063 -4.967 241 HB3 HIS 35 2HB HIS 35 -5.999 -4.337 -5.033 242 HD1 HIS 35 HD1 HIS 35 -6.632 -2.775 -2.947 243 HD2 HIS 35 HD2 HIS 35 -2.622 -3.799 -3.315 244 HE1 HIS 35 HE1 HIS 35 -5.385 -1.143 -1.495 245 H THR 36 H THR 36 -5.007 -8.062 -4.818 246 HA THR 36 HA THR 36 -7.178 -8.245 -6.721 247 HB THR 36 HB THR 36 -5.976 -10.197 -7.613 248 HG1 THR 36 HG1 THR 36 -5.053 -11.055 -5.757 249 HG21 THR 36 3HG2 THR 36 -4.436 -8.936 -8.703 250 HG22 THR 36 1HG2 THR 36 -3.762 -8.277 -7.213 251 HG23 THR 36 2HG2 THR 36 -5.260 -7.618 -7.871 252 H GLY 37 H GLY 37 -5.990 -10.058 -3.922 253 HA2 GLY 37 1HA GLY 37 -7.882 -12.174 -4.143 254 HA3 GLY 37 2HA GLY 37 -6.919 -11.789 -2.725 255 H GLU 38 H GLU 38 -7.822 -9.161 -2.285 256 HA GLU 38 HA GLU 38 -10.645 -9.646 -1.587 257 HB2 GLU 38 1HB GLU 38 -8.443 -8.322 -0.019 258 HB3 GLU 38 2HB GLU 38 -10.138 -8.026 0.343 259 HG2 GLU 38 1HG GLU 38 -10.507 -10.242 0.989 260 HG3 GLU 38 2HG GLU 38 -9.018 -10.802 0.231 261 H LYS 39 H LYS 39 -11.200 -8.635 -3.616 262 HA LYS 39 HA LYS 39 -10.514 -6.239 -4.645 263 HB2 LYS 39 1HB LYS 39 -12.777 -6.026 -5.528 264 HB3 LYS 39 2HB LYS 39 -12.239 -7.698 -5.613 265 HG2 LYS 39 1HG LYS 39 -13.867 -6.741 -3.295 266 HG3 LYS 39 2HG LYS 39 -14.635 -7.191 -4.819 267 HD2 LYS 39 1HD LYS 39 -13.362 -9.381 -4.643 268 HD3 LYS 39 2HD LYS 39 -12.984 -8.912 -2.984 269 HE2 LYS 39 1HE LYS 39 -14.897 -10.262 -2.813 270 HE3 LYS 39 2HE LYS 39 -15.492 -8.609 -2.671 271 HZ1 LYS 39 3HZ LYS 39 -16.919 -9.787 -4.141 272 HZ2 LYS 39 1HZ LYS 39 -15.621 -10.357 -5.064 273 HZ3 LYS 39 2HZ LYS 39 -16.014 -8.712 -5.083 274 HA PRO 40 HA PRO 40 -11.367 -3.049 -1.743 275 HB2 PRO 40 1HB PRO 40 -11.827 -0.976 -3.434 276 HB3 PRO 40 2HB PRO 40 -10.216 -1.647 -3.153 277 HG2 PRO 40 1HG PRO 40 -12.110 -2.153 -5.415 278 HG3 PRO 40 2HG PRO 40 -10.357 -1.887 -5.462 279 HD2 PRO 40 1HD PRO 40 -11.461 -4.354 -5.627 280 HD3 PRO 40 2HD PRO 40 -9.884 -4.062 -4.865 281 H SER 41 H SER 41 -13.158 -2.843 -0.571 282 HA SER 41 HA SER 41 -15.769 -3.131 -1.747 283 HB2 SER 41 1HB SER 41 -14.703 -2.837 1.035 284 HB3 SER 41 2HB SER 41 -16.416 -2.536 0.740 285 HG SER 41 HG SER 41 -15.023 -4.899 0.758 286 H GLY 42 H GLY 42 -17.264 -1.585 -2.151 287 HA2 GLY 42 1HA GLY 42 -18.276 0.524 -2.037 288 HA3 GLY 42 2HA GLY 42 -16.879 1.122 -1.154 289 HA PRO 43 HA PRO 43 -16.472 1.525 -5.998 290 HB2 PRO 43 1HB PRO 43 -18.569 3.016 -6.863 291 HB3 PRO 43 2HB PRO 43 -18.579 1.248 -6.869 292 HG2 PRO 43 1HG PRO 43 -19.788 3.142 -4.892 293 HG3 PRO 43 2HG PRO 43 -20.473 1.660 -5.583 294 HD2 PRO 43 1HD PRO 43 -19.372 1.741 -3.110 295 HD3 PRO 43 2HD PRO 43 -19.301 0.296 -4.140 296 H SER 44 H SER 44 -14.796 2.859 -5.179 297 HA SER 44 HA SER 44 -15.505 5.694 -4.823 298 HB2 SER 44 1HB SER 44 -13.326 5.917 -3.674 299 HB3 SER 44 2HB SER 44 -14.361 4.721 -2.893 300 HG SER 44 HG SER 44 -13.153 3.096 -3.819 301 H SER 45 H SER 45 -13.108 3.551 -6.330 302 HA SER 45 HA SER 45 -12.632 5.650 -8.341 303 HB2 SER 45 1HB SER 45 -10.729 5.170 -6.645 304 HB3 SER 45 2HB SER 45 -10.504 3.674 -7.551 305 HG SER 45 HG SER 45 -10.701 5.970 -9.077 306 H GLY 46 H GLY 46 -11.816 4.800 -10.429 307 HA2 GLY 46 1HA GLY 46 -12.661 2.028 -10.948 308 HA3 GLY 46 2HA GLY 46 -13.314 3.332 -11.927 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.169 12.266 16.791 2 HA2 GLY 1 1HA GLY 1 -0.751 11.813 19.481 3 HA3 GLY 1 2HA GLY 1 -0.412 10.248 18.757 4 H SER 2 H SER 2 1.648 10.368 17.270 5 HA SER 2 HA SER 2 3.730 11.847 18.740 6 HB2 SER 2 1HB SER 2 3.740 8.984 17.786 7 HB3 SER 2 2HB SER 2 5.227 9.850 18.174 8 HG SER 2 HG SER 2 3.138 9.041 19.865 9 H SER 3 H SER 3 4.965 13.115 17.525 10 HA SER 3 HA SER 3 4.533 13.461 14.774 11 HB2 SER 3 1HB SER 3 6.358 15.034 14.835 12 HB3 SER 3 2HB SER 3 5.462 15.186 16.346 13 HG SER 3 HG SER 3 8.004 14.802 16.126 14 H GLY 4 H GLY 4 5.144 12.229 13.131 15 HA2 GLY 4 1HA GLY 4 6.721 9.960 13.291 16 HA3 GLY 4 2HA GLY 4 6.398 10.837 11.803 17 H SER 5 H SER 5 8.814 9.463 12.447 18 HA SER 5 HA SER 5 10.685 11.739 12.547 19 HB2 SER 5 1HB SER 5 12.346 10.206 13.549 20 HB3 SER 5 2HB SER 5 10.912 10.370 14.561 21 HG SER 5 HG SER 5 11.107 8.285 12.679 22 H SER 6 H SER 6 12.445 11.707 11.143 23 HA SER 6 HA SER 6 12.014 10.632 8.604 24 HB2 SER 6 1HB SER 6 14.126 11.521 8.005 25 HB3 SER 6 2HB SER 6 13.525 12.590 9.273 26 HG SER 6 HG SER 6 15.686 12.022 9.659 27 H GLY 7 H GLY 7 13.710 9.232 7.450 28 HA2 GLY 7 1HA GLY 7 15.408 7.413 8.346 29 HA3 GLY 7 2HA GLY 7 13.906 6.741 8.964 30 H SER 8 H SER 8 15.080 5.051 7.428 31 HA SER 8 HA SER 8 15.192 5.027 4.766 32 HB2 SER 8 1HB SER 8 13.886 2.940 6.519 33 HB3 SER 8 2HB SER 8 14.244 2.679 4.813 34 HG SER 8 HG SER 8 16.049 1.976 5.726 35 H GLY 9 H GLY 9 13.956 5.858 3.226 36 HA2 GLY 9 1HA GLY 9 11.090 5.285 3.233 37 HA3 GLY 9 2HA GLY 9 11.564 6.977 3.228 38 H GLU 10 H GLU 10 13.910 6.556 1.567 39 HA GLU 10 HA GLU 10 12.834 7.032 -0.944 40 HB2 GLU 10 1HB GLU 10 15.280 7.298 0.041 41 HB3 GLU 10 2HB GLU 10 15.521 5.750 -0.755 42 HG2 GLU 10 1HG GLU 10 14.456 8.193 -2.145 43 HG3 GLU 10 2HG GLU 10 16.161 7.747 -2.105 44 H LYS 11 H LYS 11 11.389 5.599 -1.754 45 HA LYS 11 HA LYS 11 12.411 2.909 -2.370 46 HB2 LYS 11 1HB LYS 11 9.631 3.631 -1.429 47 HB3 LYS 11 2HB LYS 11 10.081 2.056 -2.069 48 HG2 LYS 11 1HG LYS 11 11.801 1.939 -0.224 49 HG3 LYS 11 2HG LYS 11 11.016 3.358 0.471 50 HD2 LYS 11 1HD LYS 11 8.890 2.115 0.546 51 HD3 LYS 11 2HD LYS 11 9.717 0.692 -0.091 52 HE2 LYS 11 1HE LYS 11 10.793 2.007 2.356 53 HE3 LYS 11 2HE LYS 11 9.344 1.013 2.496 54 HZ1 LYS 11 3HZ LYS 11 11.948 0.124 1.378 55 HZ2 LYS 11 1HZ LYS 11 10.558 -0.830 1.513 56 HZ3 LYS 11 2HZ LYS 11 11.342 -0.277 2.905 57 HA PRO 12 HA PRO 12 11.399 4.408 -6.458 58 HB2 PRO 12 1HB PRO 12 12.351 2.230 -7.769 59 HB3 PRO 12 2HB PRO 12 13.400 3.499 -7.127 60 HG2 PRO 12 1HG PRO 12 12.727 0.826 -5.959 61 HG3 PRO 12 2HG PRO 12 14.297 1.645 -6.046 62 HD2 PRO 12 1HD PRO 12 12.791 1.619 -3.796 63 HD3 PRO 12 2HD PRO 12 13.842 2.984 -4.226 64 H PHE 13 H PHE 13 10.198 1.678 -4.788 65 HA PHE 13 HA PHE 13 8.210 1.175 -6.900 66 HB2 PHE 13 1HB PHE 13 8.942 -0.615 -4.574 67 HB3 PHE 13 2HB PHE 13 7.863 -1.014 -5.906 68 HD1 PHE 13 HD2 PHE 13 8.736 -1.537 -8.103 69 HD2 PHE 13 HD1 PHE 13 11.336 -0.600 -4.866 70 HE1 PHE 13 HE2 PHE 13 10.639 -2.439 -9.375 71 HE2 PHE 13 HE1 PHE 13 13.243 -1.500 -6.133 72 HZ PHE 13 HZ PHE 13 12.896 -2.422 -8.390 73 H LYS 14 H LYS 14 6.154 1.708 -6.550 74 HA LYS 14 HA LYS 14 5.201 2.038 -3.797 75 HB2 LYS 14 1HB LYS 14 5.821 4.272 -4.502 76 HB3 LYS 14 2HB LYS 14 4.922 4.087 -6.002 77 HG2 LYS 14 1HG LYS 14 2.889 3.713 -4.427 78 HG3 LYS 14 2HG LYS 14 3.910 4.511 -3.228 79 HD2 LYS 14 1HD LYS 14 4.207 6.389 -4.854 80 HD3 LYS 14 2HD LYS 14 3.008 5.610 -5.888 81 HE2 LYS 14 1HE LYS 14 1.681 7.075 -4.724 82 HE3 LYS 14 2HE LYS 14 1.560 5.642 -3.703 83 HZ1 LYS 14 3HZ LYS 14 3.643 6.763 -2.579 84 HZ2 LYS 14 1HZ LYS 14 2.064 7.188 -2.140 85 HZ3 LYS 14 2HZ LYS 14 2.940 8.169 -3.204 86 H CYS 15 H CYS 15 3.297 1.088 -3.482 87 HA CYS 15 HA CYS 15 1.944 -0.203 -5.645 88 HB2 CYS 15 1HB CYS 15 2.094 -1.166 -3.359 89 HB3 CYS 15 2HB CYS 15 1.055 0.128 -2.772 90 H GLU 16 H GLU 16 0.812 0.981 -7.051 91 HA GLU 16 HA GLU 16 -0.388 3.467 -6.479 92 HB2 GLU 16 1HB GLU 16 -1.038 1.551 -8.726 93 HB3 GLU 16 2HB GLU 16 -1.439 3.262 -8.674 94 HG2 GLU 16 1HG GLU 16 1.356 2.148 -8.674 95 HG3 GLU 16 2HG GLU 16 0.508 2.763 -10.092 96 H GLU 17 H GLU 17 -1.483 0.201 -6.120 97 HA GLU 17 HA GLU 17 -4.238 0.495 -6.183 98 HB2 GLU 17 1HB GLU 17 -2.742 -1.254 -4.229 99 HB3 GLU 17 2HB GLU 17 -4.366 -1.503 -4.855 100 HG2 GLU 17 1HG GLU 17 -3.135 -1.556 -7.165 101 HG3 GLU 17 2HG GLU 17 -1.737 -1.956 -6.169 102 H CYS 18 H CYS 18 -2.092 0.767 -3.351 103 HA CYS 18 HA CYS 18 -4.206 2.334 -2.023 104 HB2 CYS 18 1HB CYS 18 -3.281 1.543 0.123 105 HB3 CYS 18 2HB CYS 18 -3.840 0.210 -0.883 106 H GLY 19 H GLY 19 -0.739 1.981 -2.577 107 HA2 GLY 19 1HA GLY 19 0.373 4.162 -3.091 108 HA3 GLY 19 2HA GLY 19 -0.390 4.757 -1.624 109 H LYS 20 H LYS 20 0.668 1.528 -1.442 110 HA LYS 20 HA LYS 20 2.502 2.080 0.635 111 HB2 LYS 20 1HB LYS 20 1.631 -0.323 -0.871 112 HB3 LYS 20 2HB LYS 20 3.186 -0.427 -0.056 113 HG2 LYS 20 1HG LYS 20 1.767 0.553 1.959 114 HG3 LYS 20 2HG LYS 20 0.455 -0.231 1.075 115 HD2 LYS 20 1HD LYS 20 1.286 -2.331 1.434 116 HD3 LYS 20 2HD LYS 20 2.959 -1.774 1.508 117 HE2 LYS 20 1HE LYS 20 2.274 -2.509 3.696 118 HE3 LYS 20 2HE LYS 20 2.477 -0.758 3.713 119 HZ1 LYS 20 3HZ LYS 20 -0.125 -2.160 3.430 120 HZ2 LYS 20 1HZ LYS 20 0.105 -0.488 3.548 121 HZ3 LYS 20 2HZ LYS 20 0.459 -1.485 4.867 122 H ARG 21 H ARG 21 4.766 0.800 0.399 123 HA ARG 21 HA ARG 21 6.068 1.428 -2.123 124 HB2 ARG 21 1HB ARG 21 6.979 2.663 0.482 125 HB3 ARG 21 2HB ARG 21 7.822 2.777 -1.057 126 HG2 ARG 21 1HG ARG 21 5.520 3.777 -1.856 127 HG3 ARG 21 2HG ARG 21 5.352 4.143 -0.138 128 HD2 ARG 21 1HD ARG 21 7.827 5.033 -0.472 129 HD3 ARG 21 2HD ARG 21 7.274 5.210 -2.137 130 HE ARG 21 HE ARG 21 5.971 6.971 -1.479 131 HH11 ARG 21 1HH1 ARG 21 6.963 5.174 1.333 132 HH12 ARG 21 2HH1 ARG 21 6.337 6.335 2.457 133 HH21 ARG 21 1HH2 ARG 21 5.142 8.507 -0.009 134 HH22 ARG 21 2HH2 ARG 21 5.301 8.230 1.692 135 H PHE 22 H PHE 22 8.139 0.448 -2.355 136 HA PHE 22 HA PHE 22 9.059 -1.326 -0.247 137 HB2 PHE 22 1HB PHE 22 8.445 -2.477 -2.968 138 HB3 PHE 22 2HB PHE 22 8.911 -3.343 -1.507 139 HD1 PHE 22 HD2 PHE 22 6.200 -1.288 -2.984 140 HD2 PHE 22 HD1 PHE 22 7.295 -4.169 -0.048 141 HE1 PHE 22 HE2 PHE 22 3.826 -1.622 -2.432 142 HE2 PHE 22 HE1 PHE 22 4.922 -4.508 0.508 143 HZ PHE 22 HZ PHE 22 3.184 -3.233 -0.683 144 H THR 23 H THR 23 11.158 -2.281 -0.720 145 HA THR 23 HA THR 23 12.805 -0.438 -2.238 146 HB THR 23 HB THR 23 13.599 -1.087 -0.038 147 HG1 THR 23 HG1 THR 23 15.000 -1.528 -2.339 148 HG21 THR 23 3HG2 THR 23 13.127 -3.153 0.677 149 HG22 THR 23 1HG2 THR 23 14.499 -3.698 -0.287 150 HG23 THR 23 2HG2 THR 23 12.872 -3.742 -0.965 151 H GLN 24 H GLN 24 11.263 -3.391 -2.780 152 HA GLN 24 HA GLN 24 12.796 -3.767 -5.241 153 HB2 GLN 24 1HB GLN 24 12.587 -5.691 -2.998 154 HB3 GLN 24 2HB GLN 24 12.384 -6.356 -4.613 155 HG2 GLN 24 1HG GLN 24 14.762 -4.881 -3.521 156 HG3 GLN 24 2HG GLN 24 14.671 -6.569 -4.019 157 HE21 GLN 24 1HE2 GLN 24 13.195 -6.151 -6.397 158 HE22 GLN 24 2HE2 GLN 24 14.236 -5.372 -7.534 159 H ASN 25 H ASN 25 11.664 -4.921 -6.888 160 HA ASN 25 HA ASN 25 8.924 -4.303 -7.041 161 HB2 ASN 25 1HB ASN 25 8.974 -5.215 -9.189 162 HB3 ASN 25 2HB ASN 25 10.647 -4.728 -8.937 163 HD21 ASN 25 1HD2 ASN 25 12.155 -6.389 -8.248 164 HD22 ASN 25 2HD2 ASN 25 11.910 -8.016 -8.776 165 H SER 26 H SER 26 10.556 -7.448 -6.677 166 HA SER 26 HA SER 26 8.464 -9.168 -6.604 167 HB2 SER 26 1HB SER 26 10.849 -9.807 -6.291 168 HB3 SER 26 2HB SER 26 10.759 -9.224 -4.629 169 HG SER 26 HG SER 26 9.179 -11.301 -5.750 170 H GLN 27 H GLN 27 9.400 -6.914 -4.078 171 HA GLN 27 HA GLN 27 7.613 -7.920 -2.103 172 HB2 GLN 27 1HB GLN 27 8.935 -5.214 -2.361 173 HB3 GLN 27 2HB GLN 27 8.071 -5.777 -0.937 174 HG2 GLN 27 1HG GLN 27 9.711 -7.700 -0.866 175 HG3 GLN 27 2HG GLN 27 10.644 -6.820 -2.076 176 HE21 GLN 27 1HE2 GLN 27 10.649 -4.308 -1.346 177 HE22 GLN 27 2HE2 GLN 27 11.296 -4.087 0.240 178 H LEU 28 H LEU 28 7.493 -5.036 -4.195 179 HA LEU 28 HA LEU 28 4.934 -4.191 -3.434 180 HB2 LEU 28 1HB LEU 28 6.376 -2.699 -4.605 181 HB3 LEU 28 2HB LEU 28 6.493 -3.798 -5.977 182 HG LEU 28 HG LEU 28 4.208 -3.335 -6.600 183 HD11 LEU 28 1HD1 LEU 28 4.000 -1.313 -4.400 184 HD12 LEU 28 2HD1 LEU 28 3.517 -2.990 -4.147 185 HD13 LEU 28 3HD1 LEU 28 2.722 -2.021 -5.388 186 HD21 LEU 28 3HD2 LEU 28 5.329 -0.627 -6.027 187 HD22 LEU 28 1HD2 LEU 28 4.545 -1.235 -7.485 188 HD23 LEU 28 2HD2 LEU 28 6.196 -1.725 -7.102 189 H HIS 29 H HIS 29 5.918 -6.056 -6.309 190 HA HIS 29 HA HIS 29 3.330 -6.525 -7.279 191 HB2 HIS 29 1HB HIS 29 5.952 -7.950 -7.657 192 HB3 HIS 29 2HB HIS 29 4.475 -8.545 -8.408 193 HD1 HIS 29 HD1 HIS 29 3.994 -7.625 -10.653 194 HD2 HIS 29 HD2 HIS 29 6.492 -5.132 -8.460 195 HE1 HIS 29 HE1 HIS 29 4.628 -5.762 -12.219 196 H SER 30 H SER 30 5.142 -8.033 -4.740 197 HA SER 30 HA SER 30 3.468 -10.381 -4.610 198 HB2 SER 30 1HB SER 30 5.739 -10.689 -3.934 199 HB3 SER 30 2HB SER 30 5.665 -9.315 -2.830 200 HG SER 30 HG SER 30 4.342 -11.811 -2.581 201 H HIS 31 H HIS 31 3.448 -7.195 -3.325 202 HA HIS 31 HA HIS 31 1.637 -7.867 -1.150 203 HB2 HIS 31 1HB HIS 31 2.977 -6.173 -0.385 204 HB3 HIS 31 2HB HIS 31 3.164 -5.455 -1.983 205 HD1 HIS 31 HD1 HIS 31 0.770 -5.567 0.923 206 HD2 HIS 31 HD2 HIS 31 1.405 -3.414 -2.573 207 HE1 HIS 31 HE1 HIS 31 -0.800 -3.606 1.047 208 H GLN 32 H GLN 32 1.593 -6.133 -4.231 209 HA GLN 32 HA GLN 32 -0.923 -5.032 -4.189 210 HB2 GLN 32 1HB GLN 32 0.733 -6.188 -6.406 211 HB3 GLN 32 2HB GLN 32 -0.886 -5.584 -6.735 212 HG2 GLN 32 1HG GLN 32 -0.249 -3.395 -5.861 213 HG3 GLN 32 2HG GLN 32 1.375 -4.000 -5.535 214 HE21 GLN 32 1HE2 GLN 32 1.664 -1.991 -6.961 215 HE22 GLN 32 2HE2 GLN 32 1.807 -2.293 -8.656 216 H ARG 33 H ARG 33 -0.090 -8.343 -4.162 217 HA ARG 33 HA ARG 33 -2.314 -9.493 -5.420 218 HB2 ARG 33 1HB ARG 33 -0.971 -10.721 -3.026 219 HB3 ARG 33 2HB ARG 33 -1.667 -11.525 -4.427 220 HG2 ARG 33 1HG ARG 33 0.155 -10.508 -5.807 221 HG3 ARG 33 2HG ARG 33 0.891 -9.949 -4.304 222 HD2 ARG 33 1HD ARG 33 1.893 -12.045 -5.051 223 HD3 ARG 33 2HD ARG 33 1.049 -12.253 -3.517 224 HE ARG 33 HE ARG 33 0.333 -13.408 -6.077 225 HH11 ARG 33 1HH1 ARG 33 -0.633 -12.699 -2.808 226 HH12 ARG 33 2HH1 ARG 33 -1.878 -13.904 -2.776 227 HH21 ARG 33 1HH2 ARG 33 -1.303 -14.998 -6.047 228 HH22 ARG 33 2HH2 ARG 33 -2.257 -15.212 -4.619 229 H VAL 34 H VAL 34 -1.897 -8.129 -2.234 230 HA VAL 34 HA VAL 34 -4.129 -9.245 -0.953 231 HB VAL 34 HB VAL 34 -3.933 -7.526 0.677 232 HG11 VAL 34 1HG1 VAL 34 -2.104 -8.730 1.188 233 HG12 VAL 34 2HG1 VAL 34 -1.482 -8.679 -0.463 234 HG13 VAL 34 3HG1 VAL 34 -1.233 -7.307 0.618 235 HG21 VAL 34 3HG2 VAL 34 -2.813 -5.443 0.356 236 HG22 VAL 34 1HG2 VAL 34 -2.214 -5.944 -1.225 237 HG23 VAL 34 2HG2 VAL 34 -3.937 -5.651 -0.987 238 H HIS 35 H HIS 35 -3.857 -6.728 -3.319 239 HA HIS 35 HA HIS 35 -6.518 -5.692 -2.831 240 HB2 HIS 35 1HB HIS 35 -4.437 -5.078 -4.933 241 HB3 HIS 35 2HB HIS 35 -6.021 -4.310 -4.887 242 HD1 HIS 35 HD1 HIS 35 -6.504 -2.776 -2.771 243 HD2 HIS 35 HD2 HIS 35 -2.563 -4.004 -3.239 244 HE1 HIS 35 HE1 HIS 35 -5.148 -1.266 -1.286 245 H THR 36 H THR 36 -4.953 -7.984 -4.921 246 HA THR 36 HA THR 36 -7.154 -8.158 -6.778 247 HB THR 36 HB THR 36 -5.920 -10.018 -7.786 248 HG1 THR 36 HG1 THR 36 -4.387 -9.765 -5.427 249 HG21 THR 36 3HG2 THR 36 -5.084 -7.356 -7.637 250 HG22 THR 36 1HG2 THR 36 -4.637 -8.542 -8.862 251 HG23 THR 36 2HG2 THR 36 -3.615 -8.312 -7.443 252 H GLY 37 H GLY 37 -5.918 -10.020 -4.041 253 HA2 GLY 37 1HA GLY 37 -8.389 -11.639 -4.151 254 HA3 GLY 37 2HA GLY 37 -6.840 -12.298 -3.645 255 H GLU 38 H GLU 38 -8.926 -9.520 -2.822 256 HA GLU 38 HA GLU 38 -8.096 -9.699 -0.049 257 HB2 GLU 38 1HB GLU 38 -8.438 -7.516 -1.276 258 HB3 GLU 38 2HB GLU 38 -10.163 -7.853 -1.245 259 HG2 GLU 38 1HG GLU 38 -9.396 -6.318 0.541 260 HG3 GLU 38 2HG GLU 38 -10.215 -7.760 1.136 261 H LYS 39 H LYS 39 -9.244 -10.542 1.589 262 HA LYS 39 HA LYS 39 -12.065 -11.195 1.190 263 HB2 LYS 39 1HB LYS 39 -9.972 -13.207 2.037 264 HB3 LYS 39 2HB LYS 39 -11.709 -13.482 2.090 265 HG2 LYS 39 1HG LYS 39 -11.738 -13.051 -0.391 266 HG3 LYS 39 2HG LYS 39 -9.974 -13.100 -0.333 267 HD2 LYS 39 1HD LYS 39 -11.559 -15.340 0.851 268 HD3 LYS 39 2HD LYS 39 -11.328 -15.261 -0.897 269 HE2 LYS 39 1HE LYS 39 -9.504 -16.508 -0.313 270 HE3 LYS 39 2HE LYS 39 -8.812 -14.890 -0.203 271 HZ1 LYS 39 3HZ LYS 39 -8.377 -16.447 1.720 272 HZ2 LYS 39 1HZ LYS 39 -10.005 -16.252 2.138 273 HZ3 LYS 39 2HZ LYS 39 -8.970 -14.914 2.120 274 HA PRO 40 HA PRO 40 -12.373 -9.738 5.333 275 HB2 PRO 40 1HB PRO 40 -14.746 -10.869 6.012 276 HB3 PRO 40 2HB PRO 40 -14.619 -9.486 4.918 277 HG2 PRO 40 1HG PRO 40 -14.958 -12.388 4.270 278 HG3 PRO 40 2HG PRO 40 -15.761 -10.980 3.551 279 HD2 PRO 40 1HD PRO 40 -13.680 -12.236 2.359 280 HD3 PRO 40 2HD PRO 40 -13.965 -10.492 2.192 281 H SER 41 H SER 41 -11.298 -10.449 7.055 282 HA SER 41 HA SER 41 -11.671 -13.238 7.910 283 HB2 SER 41 1HB SER 41 -9.454 -12.752 6.672 284 HB3 SER 41 2HB SER 41 -8.998 -11.868 8.128 285 HG SER 41 HG SER 41 -9.930 -14.141 8.981 286 H GLY 42 H GLY 42 -13.059 -11.048 8.941 287 HA2 GLY 42 1HA GLY 42 -11.829 -10.801 11.618 288 HA3 GLY 42 2HA GLY 42 -12.724 -9.489 10.865 289 HA PRO 43 HA PRO 43 -15.555 -11.989 13.623 290 HB2 PRO 43 1HB PRO 43 -16.394 -9.887 15.123 291 HB3 PRO 43 2HB PRO 43 -14.959 -10.838 15.521 292 HG2 PRO 43 1HG PRO 43 -15.153 -8.192 14.135 293 HG3 PRO 43 2HG PRO 43 -14.016 -8.716 15.390 294 HD2 PRO 43 1HD PRO 43 -13.355 -8.639 12.766 295 HD3 PRO 43 2HD PRO 43 -12.678 -9.838 13.886 296 H SER 44 H SER 44 -17.924 -11.529 14.008 297 HA SER 44 HA SER 44 -19.037 -10.287 11.597 298 HB2 SER 44 1HB SER 44 -21.041 -11.617 12.041 299 HB3 SER 44 2HB SER 44 -19.614 -12.653 12.029 300 HG SER 44 HG SER 44 -21.384 -12.209 14.016 301 H SER 45 H SER 45 -19.154 -8.137 12.138 302 HA SER 45 HA SER 45 -19.710 -6.849 14.419 303 HB2 SER 45 1HB SER 45 -19.387 -5.527 12.479 304 HB3 SER 45 2HB SER 45 -20.756 -6.267 11.650 305 HG SER 45 HG SER 45 -21.099 -4.108 12.581 306 H GLY 46 H GLY 46 -22.185 -8.302 12.322 307 HA2 GLY 46 1HA GLY 46 -24.531 -7.599 13.383 308 HA3 GLY 46 2HA GLY 46 -24.194 -9.276 12.980 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.145 1.894 19.526 2 HA2 GLY 1 1HA GLY 1 -1.590 1.167 19.853 3 HA3 GLY 1 2HA GLY 1 -1.999 0.305 18.377 4 H SER 2 H SER 2 -3.224 1.819 16.750 5 HA SER 2 HA SER 2 -2.907 3.469 15.207 6 HB2 SER 2 1HB SER 2 -4.141 4.738 16.905 7 HB3 SER 2 2HB SER 2 -2.630 5.134 17.723 8 HG SER 2 HG SER 2 -3.718 6.604 15.978 9 H SER 3 H SER 3 -0.603 1.999 15.684 10 HA SER 3 HA SER 3 1.610 3.843 16.006 11 HB2 SER 3 1HB SER 3 1.588 1.434 16.850 12 HB3 SER 3 2HB SER 3 1.788 0.948 15.166 13 HG SER 3 HG SER 3 3.823 1.115 15.915 14 H GLY 4 H GLY 4 1.156 5.216 14.194 15 HA2 GLY 4 1HA GLY 4 1.208 4.126 11.525 16 HA3 GLY 4 2HA GLY 4 1.170 5.828 11.958 17 H SER 5 H SER 5 3.086 3.251 10.868 18 HA SER 5 HA SER 5 5.646 3.977 11.686 19 HB2 SER 5 1HB SER 5 5.122 1.864 10.518 20 HB3 SER 5 2HB SER 5 4.838 2.767 9.029 21 HG SER 5 HG SER 5 7.284 3.020 10.396 22 H SER 6 H SER 6 7.363 4.998 10.424 23 HA SER 6 HA SER 6 6.380 7.441 9.161 24 HB2 SER 6 1HB SER 6 9.161 6.688 10.093 25 HB3 SER 6 2HB SER 6 8.694 8.261 9.446 26 HG SER 6 HG SER 6 6.994 7.679 11.377 27 H GLY 7 H GLY 7 8.854 4.944 8.551 28 HA2 GLY 7 1HA GLY 7 9.710 4.117 6.589 29 HA3 GLY 7 2HA GLY 7 8.200 4.614 5.840 30 H SER 8 H SER 8 11.318 5.909 6.949 31 HA SER 8 HA SER 8 11.090 8.210 5.222 32 HB2 SER 8 1HB SER 8 13.305 7.207 7.016 33 HB3 SER 8 2HB SER 8 13.440 8.669 6.040 34 HG SER 8 HG SER 8 11.848 9.612 7.225 35 H GLY 9 H GLY 9 13.240 5.373 5.409 36 HA2 GLY 9 1HA GLY 9 14.937 5.681 3.362 37 HA3 GLY 9 2HA GLY 9 14.134 4.144 3.650 38 H GLU 10 H GLU 10 14.719 6.485 1.387 39 HA GLU 10 HA GLU 10 12.321 6.738 -0.014 40 HB2 GLU 10 1HB GLU 10 15.208 6.924 -0.768 41 HB3 GLU 10 2HB GLU 10 13.997 6.922 -2.042 42 HG2 GLU 10 1HG GLU 10 12.900 8.846 -0.947 43 HG3 GLU 10 2HG GLU 10 14.206 8.877 0.236 44 H LYS 11 H LYS 11 11.232 5.491 -1.430 45 HA LYS 11 HA LYS 11 12.432 2.914 -2.199 46 HB2 LYS 11 1HB LYS 11 9.676 3.474 -1.125 47 HB3 LYS 11 2HB LYS 11 10.018 2.035 -2.077 48 HG2 LYS 11 1HG LYS 11 11.565 1.234 -0.455 49 HG3 LYS 11 2HG LYS 11 11.510 2.759 0.433 50 HD2 LYS 11 1HD LYS 11 8.971 1.260 0.010 51 HD3 LYS 11 2HD LYS 11 10.112 0.664 1.217 52 HE2 LYS 11 1HE LYS 11 9.131 3.510 1.127 53 HE3 LYS 11 2HE LYS 11 8.339 2.245 2.065 54 HZ1 LYS 11 3HZ LYS 11 10.258 3.805 3.033 55 HZ2 LYS 11 1HZ LYS 11 11.202 2.519 2.470 56 HZ3 LYS 11 2HZ LYS 11 9.971 2.236 3.594 57 HA PRO 12 HA PRO 12 11.443 4.451 -6.255 58 HB2 PRO 12 1HB PRO 12 12.276 2.249 -7.608 59 HB3 PRO 12 2HB PRO 12 13.392 3.446 -6.939 60 HG2 PRO 12 1HG PRO 12 12.569 0.792 -5.825 61 HG3 PRO 12 2HG PRO 12 14.182 1.524 -5.893 62 HD2 PRO 12 1HD PRO 12 12.670 1.538 -3.647 63 HD3 PRO 12 2HD PRO 12 13.796 2.851 -4.048 64 H PHE 13 H PHE 13 10.293 1.467 -4.852 65 HA PHE 13 HA PHE 13 8.229 1.205 -6.911 66 HB2 PHE 13 1HB PHE 13 8.903 -0.643 -4.611 67 HB3 PHE 13 2HB PHE 13 7.760 -0.978 -5.909 68 HD1 PHE 13 HD1 PHE 13 11.292 -0.696 -5.006 69 HD2 PHE 13 HD2 PHE 13 8.522 -1.567 -8.118 70 HE1 PHE 13 HE1 PHE 13 13.110 -1.674 -6.345 71 HE2 PHE 13 HE2 PHE 13 10.335 -2.547 -9.461 72 HZ PHE 13 HZ PHE 13 12.632 -2.603 -8.575 73 H LYS 14 H LYS 14 6.097 1.527 -6.533 74 HA LYS 14 HA LYS 14 5.171 1.985 -3.803 75 HB2 LYS 14 1HB LYS 14 5.808 4.205 -4.557 76 HB3 LYS 14 2HB LYS 14 4.880 4.002 -6.037 77 HG2 LYS 14 1HG LYS 14 2.867 3.678 -4.444 78 HG3 LYS 14 2HG LYS 14 3.911 4.446 -3.245 79 HD2 LYS 14 1HD LYS 14 4.231 6.335 -4.850 80 HD3 LYS 14 2HD LYS 14 3.019 5.586 -5.891 81 HE2 LYS 14 1HE LYS 14 1.427 5.688 -3.961 82 HE3 LYS 14 2HE LYS 14 2.637 6.627 -3.088 83 HZ1 LYS 14 3HZ LYS 14 1.590 8.360 -4.012 84 HZ2 LYS 14 1HZ LYS 14 0.872 7.430 -5.230 85 HZ3 LYS 14 2HZ LYS 14 2.467 7.967 -5.405 86 H CYS 15 H CYS 15 3.275 1.025 -3.478 87 HA CYS 15 HA CYS 15 1.917 -0.292 -5.614 88 HB2 CYS 15 1HB CYS 15 2.061 -1.184 -3.288 89 HB3 CYS 15 2HB CYS 15 0.988 0.111 -2.765 90 H GLU 16 H GLU 16 0.956 1.024 -7.070 91 HA GLU 16 HA GLU 16 -0.293 3.467 -6.532 92 HB2 GLU 16 1HB GLU 16 -0.854 1.533 -8.787 93 HB3 GLU 16 2HB GLU 16 -1.329 3.225 -8.751 94 HG2 GLU 16 1HG GLU 16 1.166 3.724 -8.484 95 HG3 GLU 16 2HG GLU 16 1.416 2.055 -8.992 96 H GLU 17 H GLU 17 -1.406 0.218 -6.150 97 HA GLU 17 HA GLU 17 -4.164 0.532 -6.288 98 HB2 GLU 17 1HB GLU 17 -2.733 -1.229 -4.298 99 HB3 GLU 17 2HB GLU 17 -4.338 -1.467 -4.976 100 HG2 GLU 17 1HG GLU 17 -3.054 -1.540 -7.245 101 HG3 GLU 17 2HG GLU 17 -1.670 -1.915 -6.220 102 H CYS 18 H CYS 18 -2.065 0.801 -3.421 103 HA CYS 18 HA CYS 18 -4.194 2.383 -2.133 104 HB2 CYS 18 1HB CYS 18 -3.336 1.581 0.030 105 HB3 CYS 18 2HB CYS 18 -3.859 0.247 -0.992 106 H GLY 19 H GLY 19 -0.713 1.985 -2.587 107 HA2 GLY 19 1HA GLY 19 0.412 4.177 -3.091 108 HA3 GLY 19 2HA GLY 19 -0.353 4.753 -1.618 109 H LYS 20 H LYS 20 0.665 1.516 -1.462 110 HA LYS 20 HA LYS 20 2.491 2.015 0.629 111 HB2 LYS 20 1HB LYS 20 1.626 -0.354 -0.936 112 HB3 LYS 20 2HB LYS 20 3.170 -0.480 -0.103 113 HG2 LYS 20 1HG LYS 20 1.849 0.368 1.956 114 HG3 LYS 20 2HG LYS 20 0.430 -0.139 1.036 115 HD2 LYS 20 1HD LYS 20 0.947 -2.023 2.301 116 HD3 LYS 20 2HD LYS 20 1.696 -2.368 0.740 117 HE2 LYS 20 1HE LYS 20 3.400 -2.915 2.186 118 HE3 LYS 20 2HE LYS 20 3.786 -1.234 1.822 119 HZ1 LYS 20 3HZ LYS 20 3.376 -2.352 4.313 120 HZ2 LYS 20 1HZ LYS 20 2.015 -1.388 4.026 121 HZ3 LYS 20 2HZ LYS 20 3.562 -0.710 3.949 122 H ARG 21 H ARG 21 4.749 0.713 0.376 123 HA ARG 21 HA ARG 21 6.074 1.421 -2.116 124 HB2 ARG 21 1HB ARG 21 6.925 2.548 0.557 125 HB3 ARG 21 2HB ARG 21 7.872 2.648 -0.921 126 HG2 ARG 21 1HG ARG 21 5.770 3.796 -1.902 127 HG3 ARG 21 2HG ARG 21 5.328 4.041 -0.211 128 HD2 ARG 21 1HD ARG 21 8.083 4.763 -1.060 129 HD3 ARG 21 2HD ARG 21 6.760 5.815 -1.560 130 HE ARG 21 HE ARG 21 7.774 5.441 1.124 131 HH11 ARG 21 1HH1 ARG 21 5.177 6.612 -0.876 132 HH12 ARG 21 2HH1 ARG 21 4.555 7.685 0.333 133 HH21 ARG 21 1HH2 ARG 21 6.965 6.849 2.725 134 HH22 ARG 21 2HH2 ARG 21 5.573 7.820 2.381 135 H PHE 22 H PHE 22 8.237 0.518 -2.284 136 HA PHE 22 HA PHE 22 9.096 -1.383 -0.289 137 HB2 PHE 22 1HB PHE 22 8.434 -2.445 -3.035 138 HB3 PHE 22 2HB PHE 22 8.909 -3.361 -1.609 139 HD1 PHE 22 HD2 PHE 22 6.197 -1.300 -3.052 140 HD2 PHE 22 HD1 PHE 22 7.310 -4.141 -0.085 141 HE1 PHE 22 HE2 PHE 22 3.827 -1.622 -2.477 142 HE2 PHE 22 HE1 PHE 22 4.941 -4.468 0.495 143 HZ PHE 22 HZ PHE 22 3.196 -3.207 -0.701 144 H THR 23 H THR 23 11.212 -2.185 -0.660 145 HA THR 23 HA THR 23 12.848 -0.378 -2.198 146 HB THR 23 HB THR 23 13.535 -1.206 0.051 147 HG1 THR 23 HG1 THR 23 15.518 -2.152 -1.672 148 HG21 THR 23 3HG2 THR 23 13.525 -3.805 -1.419 149 HG22 THR 23 1HG2 THR 23 12.984 -3.439 0.219 150 HG23 THR 23 2HG2 THR 23 14.708 -3.546 -0.137 151 H GLN 24 H GLN 24 11.282 -3.295 -2.820 152 HA GLN 24 HA GLN 24 12.803 -3.619 -5.292 153 HB2 GLN 24 1HB GLN 24 12.635 -5.590 -3.090 154 HB3 GLN 24 2HB GLN 24 12.405 -6.224 -4.714 155 HG2 GLN 24 1HG GLN 24 14.795 -4.733 -3.665 156 HG3 GLN 24 2HG GLN 24 14.709 -6.432 -4.125 157 HE21 GLN 24 1HE2 GLN 24 13.217 -6.124 -6.486 158 HE22 GLN 24 2HE2 GLN 24 14.219 -5.344 -7.658 159 H ASN 25 H ASN 25 11.663 -4.756 -6.951 160 HA ASN 25 HA ASN 25 8.918 -4.144 -7.064 161 HB2 ASN 25 1HB ASN 25 8.937 -5.067 -9.227 162 HB3 ASN 25 2HB ASN 25 10.581 -4.477 -9.000 163 HD21 ASN 25 1HD2 ASN 25 12.178 -6.076 -8.263 164 HD22 ASN 25 2HD2 ASN 25 12.037 -7.697 -8.843 165 H SER 26 H SER 26 10.574 -7.285 -6.780 166 HA SER 26 HA SER 26 8.505 -9.028 -6.733 167 HB2 SER 26 1HB SER 26 10.948 -8.986 -4.955 168 HB3 SER 26 2HB SER 26 9.836 -10.353 -5.028 169 HG SER 26 HG SER 26 11.313 -9.262 -7.194 170 H GLN 27 H GLN 27 9.496 -6.923 -4.074 171 HA GLN 27 HA GLN 27 7.706 -7.943 -2.147 172 HB2 GLN 27 1HB GLN 27 9.020 -5.237 -2.408 173 HB3 GLN 27 2HB GLN 27 8.078 -5.732 -1.008 174 HG2 GLN 27 1HG GLN 27 9.670 -7.681 -0.789 175 HG3 GLN 27 2HG GLN 27 10.678 -6.868 -1.986 176 HE21 GLN 27 1HE2 GLN 27 10.538 -4.280 -1.295 177 HE22 GLN 27 2HE2 GLN 27 11.181 -4.031 0.289 178 H LEU 28 H LEU 28 7.488 -5.000 -4.151 179 HA LEU 28 HA LEU 28 4.924 -4.235 -3.380 180 HB2 LEU 28 1HB LEU 28 6.289 -2.709 -4.585 181 HB3 LEU 28 2HB LEU 28 6.441 -3.820 -5.945 182 HG LEU 28 HG LEU 28 4.111 -3.458 -6.531 183 HD11 LEU 28 1HD1 LEU 28 3.903 -1.319 -4.451 184 HD12 LEU 28 2HD1 LEU 28 3.505 -2.991 -4.058 185 HD13 LEU 28 3HD1 LEU 28 2.623 -2.152 -5.334 186 HD21 LEU 28 3HD2 LEU 28 5.710 -1.971 -7.533 187 HD22 LEU 28 1HD2 LEU 28 5.691 -0.924 -6.114 188 HD23 LEU 28 2HD2 LEU 28 4.257 -1.054 -7.133 189 H HIS 29 H HIS 29 5.905 -6.143 -6.226 190 HA HIS 29 HA HIS 29 3.319 -6.653 -7.180 191 HB2 HIS 29 1HB HIS 29 5.945 -8.082 -7.518 192 HB3 HIS 29 2HB HIS 29 4.469 -8.692 -8.261 193 HD1 HIS 29 HD1 HIS 29 4.119 -7.896 -10.568 194 HD2 HIS 29 HD2 HIS 29 6.370 -5.206 -8.341 195 HE1 HIS 29 HE1 HIS 29 4.730 -6.049 -12.161 196 H SER 30 H SER 30 5.140 -8.081 -4.601 197 HA SER 30 HA SER 30 3.492 -10.441 -4.409 198 HB2 SER 30 1HB SER 30 5.872 -10.477 -3.734 199 HB3 SER 30 2HB SER 30 5.512 -9.327 -2.446 200 HG SER 30 HG SER 30 3.896 -11.550 -2.460 201 H HIS 31 H HIS 31 3.411 -7.217 -3.228 202 HA HIS 31 HA HIS 31 1.563 -7.862 -1.068 203 HB2 HIS 31 1HB HIS 31 2.910 -6.178 -0.288 204 HB3 HIS 31 2HB HIS 31 3.122 -5.461 -1.883 205 HD1 HIS 31 HD1 HIS 31 0.809 -5.468 1.064 206 HD2 HIS 31 HD2 HIS 31 1.254 -3.510 -2.573 207 HE1 HIS 31 HE1 HIS 31 -0.787 -3.527 1.146 208 H GLN 32 H GLN 32 1.612 -6.152 -4.163 209 HA GLN 32 HA GLN 32 -0.878 -5.010 -4.205 210 HB2 GLN 32 1HB GLN 32 0.763 -6.288 -6.372 211 HB3 GLN 32 2HB GLN 32 -0.816 -5.600 -6.728 212 HG2 GLN 32 1HG GLN 32 -0.015 -3.446 -5.767 213 HG3 GLN 32 2HG GLN 32 1.589 -4.165 -5.634 214 HE21 GLN 32 1HE2 GLN 32 1.773 -2.083 -7.032 215 HE22 GLN 32 2HE2 GLN 32 1.752 -2.354 -8.738 216 H ARG 33 H ARG 33 -0.082 -8.370 -4.274 217 HA ARG 33 HA ARG 33 -2.334 -9.474 -5.470 218 HB2 ARG 33 1HB ARG 33 -1.087 -10.733 -3.048 219 HB3 ARG 33 2HB ARG 33 -1.715 -11.506 -4.498 220 HG2 ARG 33 1HG ARG 33 0.208 -10.342 -5.723 221 HG3 ARG 33 2HG ARG 33 0.884 -10.071 -4.116 222 HD2 ARG 33 1HD ARG 33 -0.021 -12.813 -4.841 223 HD3 ARG 33 2HD ARG 33 1.493 -12.217 -5.522 224 HE ARG 33 HE ARG 33 1.259 -11.897 -2.666 225 HH11 ARG 33 1HH1 ARG 33 2.263 -13.982 -5.267 226 HH12 ARG 33 2HH1 ARG 33 3.377 -14.881 -4.291 227 HH21 ARG 33 1HH2 ARG 33 2.722 -13.074 -1.370 228 HH22 ARG 33 2HH2 ARG 33 3.636 -14.365 -2.074 229 H VAL 34 H VAL 34 -1.903 -8.136 -2.266 230 HA VAL 34 HA VAL 34 -4.160 -9.175 -0.994 231 HB VAL 34 HB VAL 34 -3.954 -7.437 0.606 232 HG11 VAL 34 1HG1 VAL 34 -1.555 -8.674 -0.485 233 HG12 VAL 34 2HG1 VAL 34 -1.219 -7.200 0.426 234 HG13 VAL 34 3HG1 VAL 34 -2.094 -8.530 1.187 235 HG21 VAL 34 3HG2 VAL 34 -2.309 -5.878 -1.384 236 HG22 VAL 34 1HG2 VAL 34 -4.005 -5.567 -1.015 237 HG23 VAL 34 2HG2 VAL 34 -2.778 -5.362 0.235 238 H HIS 35 H HIS 35 -3.835 -6.599 -3.323 239 HA HIS 35 HA HIS 35 -6.512 -5.598 -2.903 240 HB2 HIS 35 1HB HIS 35 -4.379 -4.973 -4.945 241 HB3 HIS 35 2HB HIS 35 -5.974 -4.228 -4.971 242 HD1 HIS 35 HD1 HIS 35 -6.576 -2.741 -2.823 243 HD2 HIS 35 HD2 HIS 35 -2.581 -3.798 -3.254 244 HE1 HIS 35 HE1 HIS 35 -5.302 -1.183 -1.315 245 H THR 36 H THR 36 -4.943 -7.951 -4.889 246 HA THR 36 HA THR 36 -7.096 -8.104 -6.817 247 HB THR 36 HB THR 36 -5.850 -9.962 -7.800 248 HG1 THR 36 HG1 THR 36 -4.383 -11.008 -6.681 249 HG21 THR 36 3HG2 THR 36 -3.584 -8.696 -8.052 250 HG22 THR 36 1HG2 THR 36 -4.395 -7.436 -7.124 251 HG23 THR 36 2HG2 THR 36 -5.065 -7.963 -8.668 252 H GLY 37 H GLY 37 -8.053 -8.463 -4.228 253 HA2 GLY 37 1HA GLY 37 -8.428 -11.348 -3.896 254 HA3 GLY 37 2HA GLY 37 -8.894 -10.104 -2.746 255 H GLU 38 H GLU 38 -10.930 -9.292 -2.790 256 HA GLU 38 HA GLU 38 -12.673 -10.136 -5.005 257 HB2 GLU 38 1HB GLU 38 -12.898 -11.488 -2.825 258 HB3 GLU 38 2HB GLU 38 -13.625 -10.035 -2.153 259 HG2 GLU 38 1HG GLU 38 -15.250 -11.721 -2.990 260 HG3 GLU 38 2HG GLU 38 -15.423 -10.118 -3.703 261 H LYS 39 H LYS 39 -12.662 -8.113 -5.954 262 HA LYS 39 HA LYS 39 -14.182 -6.067 -4.501 263 HB2 LYS 39 1HB LYS 39 -11.606 -5.627 -6.015 264 HB3 LYS 39 2HB LYS 39 -12.696 -4.324 -5.559 265 HG2 LYS 39 1HG LYS 39 -12.246 -4.567 -3.296 266 HG3 LYS 39 2HG LYS 39 -11.631 -6.209 -3.495 267 HD2 LYS 39 1HD LYS 39 -9.665 -5.058 -3.226 268 HD3 LYS 39 2HD LYS 39 -9.827 -5.002 -4.983 269 HE2 LYS 39 1HE LYS 39 -10.566 -2.774 -4.950 270 HE3 LYS 39 2HE LYS 39 -10.918 -2.827 -3.223 271 HZ1 LYS 39 3HZ LYS 39 -8.940 -1.636 -3.388 272 HZ2 LYS 39 1HZ LYS 39 -8.285 -2.671 -4.555 273 HZ3 LYS 39 2HZ LYS 39 -8.429 -3.189 -2.951 274 HA PRO 40 HA PRO 40 -16.548 -5.743 -8.186 275 HB2 PRO 40 1HB PRO 40 -17.325 -3.144 -8.071 276 HB3 PRO 40 2HB PRO 40 -17.979 -4.391 -7.002 277 HG2 PRO 40 1HG PRO 40 -15.836 -2.370 -6.467 278 HG3 PRO 40 2HG PRO 40 -17.174 -2.884 -5.424 279 HD2 PRO 40 1HD PRO 40 -14.648 -3.808 -5.114 280 HD3 PRO 40 2HD PRO 40 -16.077 -4.794 -4.744 281 H SER 41 H SER 41 -14.774 -6.045 -9.663 282 HA SER 41 HA SER 41 -14.095 -3.573 -11.092 283 HB2 SER 41 1HB SER 41 -12.083 -3.954 -9.919 284 HB3 SER 41 2HB SER 41 -12.182 -5.700 -10.146 285 HG SER 41 HG SER 41 -12.064 -4.135 -12.441 286 H GLY 42 H GLY 42 -14.414 -3.702 -13.226 287 HA2 GLY 42 1HA GLY 42 -15.249 -4.610 -15.184 288 HA3 GLY 42 2HA GLY 42 -13.848 -5.657 -15.004 289 HA PRO 43 HA PRO 43 -16.672 -9.034 -14.933 290 HB2 PRO 43 1HB PRO 43 -14.990 -10.929 -13.958 291 HB3 PRO 43 2HB PRO 43 -14.900 -10.326 -15.617 292 HG2 PRO 43 1HG PRO 43 -13.256 -9.566 -13.233 293 HG3 PRO 43 2HG PRO 43 -12.735 -9.869 -14.901 294 HD2 PRO 43 1HD PRO 43 -13.069 -7.371 -13.910 295 HD3 PRO 43 2HD PRO 43 -13.369 -7.770 -15.614 296 H SER 44 H SER 44 -17.898 -7.927 -13.183 297 HA SER 44 HA SER 44 -17.398 -9.139 -10.546 298 HB2 SER 44 1HB SER 44 -18.628 -7.276 -9.574 299 HB3 SER 44 2HB SER 44 -17.338 -6.656 -10.605 300 HG SER 44 HG SER 44 -19.160 -5.522 -11.121 301 H SER 45 H SER 45 -19.561 -9.259 -9.242 302 HA SER 45 HA SER 45 -21.616 -10.452 -10.987 303 HB2 SER 45 1HB SER 45 -20.601 -11.428 -8.311 304 HB3 SER 45 2HB SER 45 -22.070 -12.036 -9.075 305 HG SER 45 HG SER 45 -19.391 -12.315 -9.890 306 H GLY 46 H GLY 46 -21.694 -7.774 -10.233 307 HA2 GLY 46 1HA GLY 46 -24.279 -7.589 -9.113 308 HA3 GLY 46 2HA GLY 46 -23.088 -7.191 -7.883 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -5.607 11.033 19.701 2 HA2 GLY 1 1HA GLY 1 -2.899 11.050 20.414 3 HA3 GLY 1 2HA GLY 1 -3.578 10.190 19.040 4 H SER 2 H SER 2 -2.043 10.605 17.529 5 HA SER 2 HA SER 2 -2.084 13.138 16.243 6 HB2 SER 2 1HB SER 2 -0.562 13.584 18.216 7 HB3 SER 2 2HB SER 2 0.562 12.419 17.518 8 HG SER 2 HG SER 2 1.202 13.915 16.205 9 H SER 3 H SER 3 -0.926 13.144 14.250 10 HA SER 3 HA SER 3 0.382 10.669 13.444 11 HB2 SER 3 1HB SER 3 -1.042 10.343 11.498 12 HB3 SER 3 2HB SER 3 -2.033 10.334 12.956 13 HG SER 3 HG SER 3 -2.753 12.365 12.477 14 H GLY 4 H GLY 4 1.558 10.858 11.443 15 HA2 GLY 4 1HA GLY 4 1.708 13.209 9.911 16 HA3 GLY 4 2HA GLY 4 2.927 13.294 11.174 17 H SER 5 H SER 5 2.449 12.468 8.047 18 HA SER 5 HA SER 5 3.811 10.039 7.733 19 HB2 SER 5 1HB SER 5 3.759 12.361 5.791 20 HB3 SER 5 2HB SER 5 4.079 10.671 5.402 21 HG SER 5 HG SER 5 2.012 10.322 5.358 22 H SER 6 H SER 6 5.608 10.039 9.111 23 HA SER 6 HA SER 6 7.914 11.507 8.043 24 HB2 SER 6 1HB SER 6 7.132 11.318 10.959 25 HB3 SER 6 2HB SER 6 8.713 11.863 10.398 26 HG SER 6 HG SER 6 7.770 13.623 9.456 27 H GLY 7 H GLY 7 9.529 10.173 7.576 28 HA2 GLY 7 1HA GLY 7 10.319 8.031 9.294 29 HA3 GLY 7 2HA GLY 7 9.486 7.435 7.866 30 H SER 8 H SER 8 12.183 6.871 8.535 31 HA SER 8 HA SER 8 13.680 8.416 6.531 32 HB2 SER 8 1HB SER 8 14.571 6.756 8.888 33 HB3 SER 8 2HB SER 8 15.692 7.278 7.630 34 HG SER 8 HG SER 8 14.835 9.464 8.114 35 H GLY 9 H GLY 9 13.858 7.515 4.595 36 HA2 GLY 9 1HA GLY 9 15.030 5.289 3.778 37 HA3 GLY 9 2HA GLY 9 13.487 4.632 4.304 38 H GLU 10 H GLU 10 14.709 4.736 1.622 39 HA GLU 10 HA GLU 10 12.562 6.219 0.253 40 HB2 GLU 10 1HB GLU 10 14.041 6.725 -1.557 41 HB3 GLU 10 2HB GLU 10 14.843 7.204 -0.068 42 HG2 GLU 10 1HG GLU 10 16.415 5.547 -0.214 43 HG3 GLU 10 2HG GLU 10 15.376 4.495 -1.173 44 H LYS 11 H LYS 11 11.580 5.235 -1.510 45 HA LYS 11 HA LYS 11 12.417 2.539 -2.247 46 HB2 LYS 11 1HB LYS 11 9.755 3.236 -1.024 47 HB3 LYS 11 2HB LYS 11 9.963 1.818 -2.043 48 HG2 LYS 11 1HG LYS 11 11.436 0.806 -0.519 49 HG3 LYS 11 2HG LYS 11 11.670 2.310 0.375 50 HD2 LYS 11 1HD LYS 11 8.910 1.229 0.176 51 HD3 LYS 11 2HD LYS 11 10.046 0.394 1.237 52 HE2 LYS 11 1HE LYS 11 10.493 2.489 2.411 53 HE3 LYS 11 2HE LYS 11 9.377 3.335 1.340 54 HZ1 LYS 11 3HZ LYS 11 7.564 2.382 2.323 55 HZ2 LYS 11 1HZ LYS 11 8.597 2.485 3.659 56 HZ3 LYS 11 2HZ LYS 11 8.407 1.012 2.849 57 HA PRO 12 HA PRO 12 11.355 4.459 -6.138 58 HB2 PRO 12 1HB PRO 12 12.198 2.393 -7.684 59 HB3 PRO 12 2HB PRO 12 13.306 3.556 -6.947 60 HG2 PRO 12 1HG PRO 12 12.565 0.803 -6.032 61 HG3 PRO 12 2HG PRO 12 14.161 1.575 -6.080 62 HD2 PRO 12 1HD PRO 12 12.708 1.373 -3.804 63 HD3 PRO 12 2HD PRO 12 13.796 2.739 -4.124 64 H PHE 13 H PHE 13 10.256 1.403 -4.895 65 HA PHE 13 HA PHE 13 8.183 1.208 -6.952 66 HB2 PHE 13 1HB PHE 13 8.838 -0.736 -4.729 67 HB3 PHE 13 2HB PHE 13 7.759 -1.023 -6.090 68 HD1 PHE 13 HD1 PHE 13 11.249 -0.698 -5.034 69 HD2 PHE 13 HD2 PHE 13 8.618 -1.527 -8.276 70 HE1 PHE 13 HE1 PHE 13 13.140 -1.582 -6.338 71 HE2 PHE 13 HE2 PHE 13 10.504 -2.413 -9.584 72 HZ PHE 13 HZ PHE 13 12.768 -2.442 -8.616 73 H LYS 14 H LYS 14 6.098 1.656 -6.577 74 HA LYS 14 HA LYS 14 5.178 1.959 -3.809 75 HB2 LYS 14 1HB LYS 14 5.743 4.203 -4.475 76 HB3 LYS 14 2HB LYS 14 4.887 4.019 -6.000 77 HG2 LYS 14 1HG LYS 14 2.808 3.625 -4.521 78 HG3 LYS 14 2HG LYS 14 3.779 4.362 -3.245 79 HD2 LYS 14 1HD LYS 14 4.181 6.276 -4.872 80 HD3 LYS 14 2HD LYS 14 2.894 5.573 -5.853 81 HE2 LYS 14 1HE LYS 14 1.710 7.082 -4.587 82 HE3 LYS 14 2HE LYS 14 1.559 5.626 -3.605 83 HZ1 LYS 14 3HZ LYS 14 2.162 7.258 -2.094 84 HZ2 LYS 14 1HZ LYS 14 3.266 7.989 -3.147 85 HZ3 LYS 14 2HZ LYS 14 3.638 6.503 -2.430 86 H CYS 15 H CYS 15 3.255 1.044 -3.465 87 HA CYS 15 HA CYS 15 1.902 -0.289 -5.605 88 HB2 CYS 15 1HB CYS 15 2.075 -1.199 -3.286 89 HB3 CYS 15 2HB CYS 15 0.993 0.080 -2.744 90 H GLU 16 H GLU 16 0.971 1.091 -7.039 91 HA GLU 16 HA GLU 16 -0.314 3.496 -6.453 92 HB2 GLU 16 1HB GLU 16 -0.891 1.612 -8.747 93 HB3 GLU 16 2HB GLU 16 -1.321 3.316 -8.677 94 HG2 GLU 16 1HG GLU 16 1.097 3.859 -8.528 95 HG3 GLU 16 2HG GLU 16 1.450 2.149 -8.771 96 H GLU 17 H GLU 17 -1.402 0.228 -6.147 97 HA GLU 17 HA GLU 17 -4.160 0.518 -6.280 98 HB2 GLU 17 1HB GLU 17 -2.715 -1.263 -4.318 99 HB3 GLU 17 2HB GLU 17 -4.317 -1.504 -5.001 100 HG2 GLU 17 1HG GLU 17 -2.993 -1.499 -7.269 101 HG3 GLU 17 2HG GLU 17 -1.646 -1.944 -6.224 102 H CYS 18 H CYS 18 -2.076 0.747 -3.398 103 HA CYS 18 HA CYS 18 -4.223 2.288 -2.090 104 HB2 CYS 18 1HB CYS 18 -3.380 1.453 0.058 105 HB3 CYS 18 2HB CYS 18 -3.852 0.125 -0.996 106 H GLY 19 H GLY 19 -0.738 1.940 -2.551 107 HA2 GLY 19 1HA GLY 19 0.360 4.155 -3.012 108 HA3 GLY 19 2HA GLY 19 -0.410 4.692 -1.526 109 H LYS 20 H LYS 20 0.648 1.464 -1.440 110 HA LYS 20 HA LYS 20 2.490 1.964 0.648 111 HB2 LYS 20 1HB LYS 20 1.595 -0.406 -0.900 112 HB3 LYS 20 2HB LYS 20 3.149 -0.536 -0.085 113 HG2 LYS 20 1HG LYS 20 1.837 0.342 1.981 114 HG3 LYS 20 2HG LYS 20 0.422 -0.207 1.079 115 HD2 LYS 20 1HD LYS 20 0.927 -2.099 2.283 116 HD3 LYS 20 2HD LYS 20 1.838 -2.398 0.800 117 HE2 LYS 20 1HE LYS 20 3.261 -2.902 2.652 118 HE3 LYS 20 2HE LYS 20 3.837 -1.406 1.918 119 HZ1 LYS 20 3HZ LYS 20 3.822 -0.732 4.054 120 HZ2 LYS 20 1HZ LYS 20 2.648 -1.853 4.534 121 HZ3 LYS 20 2HZ LYS 20 2.186 -0.430 3.745 122 H ARG 21 H ARG 21 4.753 0.738 0.417 123 HA ARG 21 HA ARG 21 6.044 1.404 -2.112 124 HB2 ARG 21 1HB ARG 21 6.907 2.549 0.549 125 HB3 ARG 21 2HB ARG 21 7.861 2.627 -0.926 126 HG2 ARG 21 1HG ARG 21 5.758 3.770 -1.924 127 HG3 ARG 21 2HG ARG 21 5.330 4.048 -0.235 128 HD2 ARG 21 1HD ARG 21 8.084 4.732 -1.117 129 HD3 ARG 21 2HD ARG 21 6.766 5.787 -1.623 130 HE ARG 21 HE ARG 21 7.822 5.474 1.044 131 HH11 ARG 21 1HH1 ARG 21 5.138 6.536 -0.902 132 HH12 ARG 21 2HH1 ARG 21 4.517 7.610 0.308 133 HH21 ARG 21 1HH2 ARG 21 7.015 6.884 2.645 134 HH22 ARG 21 2HH2 ARG 21 5.586 7.808 2.324 135 H PHE 22 H PHE 22 8.247 0.541 -2.258 136 HA PHE 22 HA PHE 22 9.116 -1.362 -0.280 137 HB2 PHE 22 1HB PHE 22 8.435 -2.450 -3.010 138 HB3 PHE 22 2HB PHE 22 8.913 -3.350 -1.574 139 HD1 PHE 22 HD2 PHE 22 6.202 -1.279 -3.013 140 HD2 PHE 22 HD1 PHE 22 7.315 -4.133 -0.058 141 HE1 PHE 22 HE2 PHE 22 3.833 -1.592 -2.427 142 HE2 PHE 22 HE1 PHE 22 4.947 -4.451 0.532 143 HZ PHE 22 HZ PHE 22 3.203 -3.178 -0.652 144 H THR 23 H THR 23 11.228 -2.174 -0.682 145 HA THR 23 HA THR 23 12.829 -0.377 -2.284 146 HB THR 23 HB THR 23 13.520 -1.135 0.008 147 HG1 THR 23 HG1 THR 23 15.753 -1.783 -0.910 148 HG21 THR 23 3HG2 THR 23 14.018 -3.289 0.513 149 HG22 THR 23 1HG2 THR 23 14.616 -3.644 -1.108 150 HG23 THR 23 2HG2 THR 23 12.881 -3.624 -0.793 151 H GLN 24 H GLN 24 11.272 -3.301 -2.807 152 HA GLN 24 HA GLN 24 12.823 -3.735 -5.245 153 HB2 GLN 24 1HB GLN 24 12.604 -5.612 -2.972 154 HB3 GLN 24 2HB GLN 24 12.356 -6.313 -4.565 155 HG2 GLN 24 1HG GLN 24 14.710 -4.554 -4.199 156 HG3 GLN 24 2HG GLN 24 14.746 -6.143 -3.437 157 HE21 GLN 24 1HE2 GLN 24 13.403 -5.007 -6.513 158 HE22 GLN 24 2HE2 GLN 24 14.292 -6.106 -7.506 159 H ASN 25 H ASN 25 11.679 -4.789 -6.913 160 HA ASN 25 HA ASN 25 8.938 -4.192 -7.046 161 HB2 ASN 25 1HB ASN 25 9.012 -5.667 -9.124 162 HB3 ASN 25 2HB ASN 25 10.121 -4.299 -9.097 163 HD21 ASN 25 1HD2 ASN 25 12.337 -4.684 -8.708 164 HD22 ASN 25 2HD2 ASN 25 13.035 -6.235 -9.013 165 H SER 26 H SER 26 10.608 -7.310 -6.665 166 HA SER 26 HA SER 26 8.521 -9.057 -6.662 167 HB2 SER 26 1HB SER 26 10.883 -9.073 -4.768 168 HB3 SER 26 2HB SER 26 9.834 -10.454 -5.088 169 HG SER 26 HG SER 26 11.075 -9.138 -7.233 170 H GLN 27 H GLN 27 9.459 -6.875 -4.064 171 HA GLN 27 HA GLN 27 7.684 -7.913 -2.113 172 HB2 GLN 27 1HB GLN 27 8.946 -5.178 -2.367 173 HB3 GLN 27 2HB GLN 27 8.078 -5.749 -0.947 174 HG2 GLN 27 1HG GLN 27 9.750 -7.646 -0.859 175 HG3 GLN 27 2HG GLN 27 10.681 -6.747 -2.056 176 HE21 GLN 27 1HE2 GLN 27 10.648 -4.242 -1.329 177 HE22 GLN 27 2HE2 GLN 27 11.263 -4.009 0.269 178 H LEU 28 H LEU 28 7.478 -4.992 -4.150 179 HA LEU 28 HA LEU 28 4.904 -4.228 -3.386 180 HB2 LEU 28 1HB LEU 28 6.294 -2.698 -4.568 181 HB3 LEU 28 2HB LEU 28 6.434 -3.794 -5.941 182 HG LEU 28 HG LEU 28 4.078 -3.419 -6.483 183 HD11 LEU 28 1HD1 LEU 28 3.943 -1.201 -4.497 184 HD12 LEU 28 2HD1 LEU 28 3.591 -2.849 -3.979 185 HD13 LEU 28 3HD1 LEU 28 2.640 -2.108 -5.266 186 HD21 LEU 28 3HD2 LEU 28 5.664 -2.002 -7.575 187 HD22 LEU 28 1HD2 LEU 28 5.766 -0.943 -6.168 188 HD23 LEU 28 2HD2 LEU 28 4.278 -1.012 -7.114 189 H HIS 29 H HIS 29 5.901 -6.046 -6.289 190 HA HIS 29 HA HIS 29 3.335 -6.577 -7.254 191 HB2 HIS 29 1HB HIS 29 6.029 -7.786 -7.650 192 HB3 HIS 29 2HB HIS 29 4.631 -8.706 -8.201 193 HD1 HIS 29 HD1 HIS 29 5.784 -8.265 -10.607 194 HD2 HIS 29 HD2 HIS 29 4.106 -4.967 -8.718 195 HE1 HIS 29 HE1 HIS 29 5.508 -6.529 -12.405 196 H SER 30 H SER 30 5.133 -8.030 -4.674 197 HA SER 30 HA SER 30 3.480 -10.393 -4.528 198 HB2 SER 30 1HB SER 30 5.713 -10.724 -3.811 199 HB3 SER 30 2HB SER 30 5.687 -9.281 -2.798 200 HG SER 30 HG SER 30 3.806 -11.237 -2.216 201 H HIS 31 H HIS 31 3.461 -7.195 -3.240 202 HA HIS 31 HA HIS 31 1.604 -7.861 -1.103 203 HB2 HIS 31 1HB HIS 31 2.986 -6.186 -0.338 204 HB3 HIS 31 2HB HIS 31 3.124 -5.428 -1.922 205 HD1 HIS 31 HD1 HIS 31 0.888 -5.577 1.089 206 HD2 HIS 31 HD2 HIS 31 1.237 -3.465 -2.472 207 HE1 HIS 31 HE1 HIS 31 -0.727 -3.660 1.284 208 H GLN 32 H GLN 32 1.623 -6.192 -4.212 209 HA GLN 32 HA GLN 32 -0.858 -5.019 -4.229 210 HB2 GLN 32 1HB GLN 32 0.758 -6.320 -6.397 211 HB3 GLN 32 2HB GLN 32 -0.829 -5.651 -6.749 212 HG2 GLN 32 1HG GLN 32 -0.066 -3.471 -5.890 213 HG3 GLN 32 2HG GLN 32 1.538 -4.159 -5.643 214 HE21 GLN 32 1HE2 GLN 32 2.440 -2.653 -7.066 215 HE22 GLN 32 2HE2 GLN 32 2.251 -2.795 -8.778 216 H ARG 33 H ARG 33 -0.095 -8.380 -4.236 217 HA ARG 33 HA ARG 33 -2.370 -9.481 -5.405 218 HB2 ARG 33 1HB ARG 33 -1.057 -10.702 -2.992 219 HB3 ARG 33 2HB ARG 33 -1.774 -11.510 -4.380 220 HG2 ARG 33 1HG ARG 33 0.082 -10.528 -5.769 221 HG3 ARG 33 2HG ARG 33 0.838 -10.033 -4.253 222 HD2 ARG 33 1HD ARG 33 1.823 -12.100 -4.827 223 HD3 ARG 33 2HD ARG 33 0.677 -12.449 -3.533 224 HE ARG 33 HE ARG 33 -0.725 -12.851 -5.851 225 HH11 ARG 33 1HH1 ARG 33 2.208 -14.113 -4.464 226 HH12 ARG 33 2HH1 ARG 33 2.055 -15.662 -5.224 227 HH21 ARG 33 1HH2 ARG 33 -0.937 -14.887 -6.858 228 HH22 ARG 33 2HH2 ARG 33 0.267 -16.101 -6.587 229 H VAL 34 H VAL 34 -1.890 -8.087 -2.237 230 HA VAL 34 HA VAL 34 -4.149 -9.103 -0.929 231 HB VAL 34 HB VAL 34 -3.922 -7.303 0.640 232 HG11 VAL 34 1HG1 VAL 34 -1.396 -8.481 -0.432 233 HG12 VAL 34 2HG1 VAL 34 -1.327 -7.320 0.895 234 HG13 VAL 34 3HG1 VAL 34 -2.240 -8.819 1.079 235 HG21 VAL 34 3HG2 VAL 34 -3.246 -5.233 0.133 236 HG22 VAL 34 1HG2 VAL 34 -1.803 -5.818 -0.694 237 HG23 VAL 34 2HG2 VAL 34 -3.340 -5.740 -1.553 238 H HIS 35 H HIS 35 -3.847 -6.736 -3.412 239 HA HIS 35 HA HIS 35 -6.516 -5.659 -2.925 240 HB2 HIS 35 1HB HIS 35 -4.371 -4.932 -4.926 241 HB3 HIS 35 2HB HIS 35 -5.960 -4.173 -4.879 242 HD1 HIS 35 HD1 HIS 35 -6.515 -3.001 -2.449 243 HD2 HIS 35 HD2 HIS 35 -2.526 -3.686 -3.388 244 HE1 HIS 35 HE1 HIS 35 -5.197 -1.500 -0.921 245 H THR 36 H THR 36 -4.881 -7.943 -4.922 246 HA THR 36 HA THR 36 -6.766 -8.009 -7.058 247 HB THR 36 HB THR 36 -5.692 -10.122 -7.703 248 HG1 THR 36 HG1 THR 36 -4.401 -11.192 -6.353 249 HG21 THR 36 3HG2 THR 36 -3.199 -8.934 -7.230 250 HG22 THR 36 1HG2 THR 36 -4.347 -7.601 -7.331 251 HG23 THR 36 2HG2 THR 36 -4.214 -8.753 -8.660 252 H GLY 37 H GLY 37 -6.486 -9.634 -3.964 253 HA2 GLY 37 1HA GLY 37 -8.370 -11.690 -4.441 254 HA3 GLY 37 2HA GLY 37 -7.875 -11.094 -2.864 255 H GLU 38 H GLU 38 -8.779 -8.708 -2.523 256 HA GLU 38 HA GLU 38 -11.587 -8.647 -3.387 257 HB2 GLU 38 1HB GLU 38 -11.423 -9.626 -1.107 258 HB3 GLU 38 2HB GLU 38 -10.652 -8.145 -0.557 259 HG2 GLU 38 1HG GLU 38 -12.691 -6.900 -1.222 260 HG3 GLU 38 2HG GLU 38 -13.455 -8.441 -1.606 261 H LYS 39 H LYS 39 -12.593 -6.549 -3.242 262 HA LYS 39 HA LYS 39 -10.678 -4.413 -3.761 263 HB2 LYS 39 1HB LYS 39 -12.614 -3.169 -4.616 264 HB3 LYS 39 2HB LYS 39 -12.478 -4.748 -5.377 265 HG2 LYS 39 1HG LYS 39 -14.197 -5.586 -3.776 266 HG3 LYS 39 2HG LYS 39 -14.407 -3.924 -3.220 267 HD2 LYS 39 1HD LYS 39 -16.093 -4.198 -4.812 268 HD3 LYS 39 2HD LYS 39 -14.813 -3.363 -5.696 269 HE2 LYS 39 1HE LYS 39 -14.080 -5.859 -6.223 270 HE3 LYS 39 2HE LYS 39 -15.794 -6.158 -5.940 271 HZ1 LYS 39 3HZ LYS 39 -14.937 -5.555 -8.305 272 HZ2 LYS 39 1HZ LYS 39 -15.009 -3.966 -7.728 273 HZ3 LYS 39 2HZ LYS 39 -16.404 -4.922 -7.749 274 HA PRO 40 HA PRO 40 -11.204 -2.366 0.090 275 HB2 PRO 40 1HB PRO 40 -10.845 0.216 -0.668 276 HB3 PRO 40 2HB PRO 40 -9.521 -0.953 -0.580 277 HG2 PRO 40 1HG PRO 40 -11.073 -0.024 -2.966 278 HG3 PRO 40 2HG PRO 40 -9.327 -0.286 -2.799 279 HD2 PRO 40 1HD PRO 40 -10.963 -2.084 -3.992 280 HD3 PRO 40 2HD PRO 40 -9.515 -2.566 -3.085 281 H SER 41 H SER 41 -12.449 -0.574 1.150 282 HA SER 41 HA SER 41 -15.201 -0.703 0.285 283 HB2 SER 41 1HB SER 41 -13.909 0.614 2.685 284 HB3 SER 41 2HB SER 41 -15.648 0.547 2.400 285 HG SER 41 HG SER 41 -14.274 -1.863 2.277 286 H GLY 42 H GLY 42 -15.308 0.522 -1.596 287 HA2 GLY 42 1HA GLY 42 -16.215 2.970 -1.738 288 HA3 GLY 42 2HA GLY 42 -14.526 3.344 -1.427 289 HA PRO 43 HA PRO 43 -15.523 2.276 -6.022 290 HB2 PRO 43 1HB PRO 43 -16.281 4.697 -6.988 291 HB3 PRO 43 2HB PRO 43 -17.433 3.503 -6.379 292 HG2 PRO 43 1HG PRO 43 -16.300 5.911 -5.008 293 HG3 PRO 43 2HG PRO 43 -17.968 5.311 -5.019 294 HD2 PRO 43 1HD PRO 43 -16.279 4.879 -2.948 295 HD3 PRO 43 2HD PRO 43 -17.540 3.718 -3.410 296 H SER 44 H SER 44 -13.583 4.153 -4.130 297 HA SER 44 HA SER 44 -12.143 5.702 -5.994 298 HB2 SER 44 1HB SER 44 -10.333 5.653 -4.227 299 HB3 SER 44 2HB SER 44 -11.909 6.212 -3.667 300 HG SER 44 HG SER 44 -11.516 3.496 -3.454 301 H SER 45 H SER 45 -11.048 4.966 -7.679 302 HA SER 45 HA SER 45 -9.039 2.941 -7.374 303 HB2 SER 45 1HB SER 45 -9.927 1.361 -9.007 304 HB3 SER 45 2HB SER 45 -11.071 1.549 -7.678 305 HG SER 45 HG SER 45 -12.048 3.218 -9.140 306 H GLY 46 H GLY 46 -7.473 3.077 -8.933 307 HA2 GLY 46 1HA GLY 46 -7.181 5.430 -10.378 308 HA3 GLY 46 2HA GLY 46 -6.284 3.952 -10.691 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.292 13.978 24.181 2 HA2 GLY 1 1HA GLY 1 11.074 12.477 24.539 3 HA3 GLY 1 2HA GLY 1 10.403 14.040 24.098 4 H SER 2 H SER 2 10.728 14.849 22.005 5 HA SER 2 HA SER 2 10.407 13.258 19.882 6 HB2 SER 2 1HB SER 2 10.382 15.713 19.733 7 HB3 SER 2 2HB SER 2 12.141 15.742 19.869 8 HG SER 2 HG SER 2 11.237 15.845 17.678 9 H SER 3 H SER 3 11.447 11.530 19.171 10 HA SER 3 HA SER 3 14.321 11.632 18.757 11 HB2 SER 3 1HB SER 3 12.995 9.899 20.784 12 HB3 SER 3 2HB SER 3 14.296 9.185 19.831 13 HG SER 3 HG SER 3 14.400 11.084 21.812 14 H GLY 4 H GLY 4 14.885 10.632 16.920 15 HA2 GLY 4 1HA GLY 4 13.443 8.350 15.915 16 HA3 GLY 4 2HA GLY 4 13.149 9.816 14.992 17 H SER 5 H SER 5 15.331 7.250 15.646 18 HA SER 5 HA SER 5 17.748 8.222 14.715 19 HB2 SER 5 1HB SER 5 16.633 5.447 14.240 20 HB3 SER 5 2HB SER 5 18.335 5.908 14.212 21 HG SER 5 HG SER 5 18.237 5.373 16.248 22 H SER 6 H SER 6 18.371 9.035 12.836 23 HA SER 6 HA SER 6 16.758 9.401 10.629 24 HB2 SER 6 1HB SER 6 18.953 10.560 11.143 25 HB3 SER 6 2HB SER 6 19.766 9.144 10.477 26 HG SER 6 HG SER 6 18.258 11.111 9.188 27 H GLY 7 H GLY 7 15.853 7.955 9.330 28 HA2 GLY 7 1HA GLY 7 17.300 6.115 7.788 29 HA3 GLY 7 2HA GLY 7 16.622 5.254 9.162 30 H SER 8 H SER 8 15.684 7.487 6.557 31 HA SER 8 HA SER 8 12.948 6.502 6.664 32 HB2 SER 8 1HB SER 8 14.156 8.554 4.795 33 HB3 SER 8 2HB SER 8 12.439 8.253 5.064 34 HG SER 8 HG SER 8 12.524 9.333 6.889 35 H GLY 9 H GLY 9 15.585 6.709 4.277 36 HA2 GLY 9 1HA GLY 9 16.118 5.322 2.521 37 HA3 GLY 9 2HA GLY 9 15.017 4.137 3.209 38 H GLU 10 H GLU 10 15.594 5.537 0.443 39 HA GLU 10 HA GLU 10 12.875 6.366 -0.211 40 HB2 GLU 10 1HB GLU 10 13.775 7.131 -2.310 41 HB3 GLU 10 2HB GLU 10 14.817 7.696 -1.012 42 HG2 GLU 10 1HG GLU 10 16.443 6.006 -1.499 43 HG3 GLU 10 2HG GLU 10 15.373 5.259 -2.684 44 H LYS 11 H LYS 11 11.477 5.200 -1.401 45 HA LYS 11 HA LYS 11 12.410 2.590 -2.404 46 HB2 LYS 11 1HB LYS 11 9.755 3.393 -1.218 47 HB3 LYS 11 2HB LYS 11 9.994 1.885 -2.091 48 HG2 LYS 11 1HG LYS 11 11.501 1.071 -0.463 49 HG3 LYS 11 2HG LYS 11 11.634 2.654 0.306 50 HD2 LYS 11 1HD LYS 11 8.937 1.417 0.120 51 HD3 LYS 11 2HD LYS 11 10.078 0.741 1.285 52 HE2 LYS 11 1HE LYS 11 10.408 3.035 2.193 53 HE3 LYS 11 2HE LYS 11 9.137 3.601 1.110 54 HZ1 LYS 11 3HZ LYS 11 7.528 2.653 2.355 55 HZ2 LYS 11 1HZ LYS 11 8.670 2.829 3.592 56 HZ3 LYS 11 2HZ LYS 11 8.483 1.336 2.820 57 HA PRO 12 HA PRO 12 11.300 4.423 -6.334 58 HB2 PRO 12 1HB PRO 12 12.173 2.336 -7.835 59 HB3 PRO 12 2HB PRO 12 13.263 3.542 -7.140 60 HG2 PRO 12 1HG PRO 12 12.593 0.799 -6.146 61 HG3 PRO 12 2HG PRO 12 14.171 1.604 -6.230 62 HD2 PRO 12 1HD PRO 12 12.744 1.431 -3.935 63 HD3 PRO 12 2HD PRO 12 13.798 2.811 -4.302 64 H PHE 13 H PHE 13 10.219 1.457 -4.928 65 HA PHE 13 HA PHE 13 8.146 1.141 -6.980 66 HB2 PHE 13 1HB PHE 13 8.889 -0.741 -4.731 67 HB3 PHE 13 2HB PHE 13 7.774 -1.078 -6.051 68 HD1 PHE 13 HD1 PHE 13 11.284 -0.700 -5.097 69 HD2 PHE 13 HD2 PHE 13 8.581 -1.586 -8.263 70 HE1 PHE 13 HE1 PHE 13 13.149 -1.581 -6.439 71 HE2 PHE 13 HE2 PHE 13 10.441 -2.469 -9.609 72 HZ PHE 13 HZ PHE 13 12.729 -2.468 -8.697 73 H LYS 14 H LYS 14 6.092 1.666 -6.591 74 HA LYS 14 HA LYS 14 5.187 1.947 -3.814 75 HB2 LYS 14 1HB LYS 14 5.788 4.189 -4.550 76 HB3 LYS 14 2HB LYS 14 4.807 4.004 -5.997 77 HG2 LYS 14 1HG LYS 14 2.826 3.702 -4.449 78 HG3 LYS 14 2HG LYS 14 3.887 4.254 -3.151 79 HD2 LYS 14 1HD LYS 14 4.323 6.320 -4.459 80 HD3 LYS 14 2HD LYS 14 3.139 5.773 -5.649 81 HE2 LYS 14 1HE LYS 14 1.941 7.229 -4.267 82 HE3 LYS 14 2HE LYS 14 1.508 5.623 -3.683 83 HZ1 LYS 14 3HZ LYS 14 1.963 6.960 -1.803 84 HZ2 LYS 14 1HZ LYS 14 3.414 7.534 -2.456 85 HZ3 LYS 14 2HZ LYS 14 3.285 5.918 -1.974 86 H CYS 15 H CYS 15 3.260 1.044 -3.455 87 HA CYS 15 HA CYS 15 1.889 -0.285 -5.588 88 HB2 CYS 15 1HB CYS 15 2.086 -1.187 -3.260 89 HB3 CYS 15 2HB CYS 15 0.986 0.079 -2.725 90 H GLU 16 H GLU 16 0.919 1.069 -7.010 91 HA GLU 16 HA GLU 16 -0.342 3.489 -6.416 92 HB2 GLU 16 1HB GLU 16 -0.966 1.600 -8.692 93 HB3 GLU 16 2HB GLU 16 -1.378 3.307 -8.624 94 HG2 GLU 16 1HG GLU 16 1.106 3.755 -8.430 95 HG3 GLU 16 2HG GLU 16 1.341 2.063 -8.863 96 H GLU 17 H GLU 17 -1.440 0.224 -6.092 97 HA GLU 17 HA GLU 17 -4.198 0.530 -6.179 98 HB2 GLU 17 1HB GLU 17 -2.704 -1.265 -4.264 99 HB3 GLU 17 2HB GLU 17 -4.340 -1.487 -4.867 100 HG2 GLU 17 1HG GLU 17 -3.179 -1.533 -7.196 101 HG3 GLU 17 2HG GLU 17 -1.738 -1.911 -6.254 102 H CYS 18 H CYS 18 -2.067 0.740 -3.330 103 HA CYS 18 HA CYS 18 -4.186 2.282 -1.980 104 HB2 CYS 18 1HB CYS 18 -3.278 1.455 0.151 105 HB3 CYS 18 2HB CYS 18 -3.795 0.130 -0.886 106 H GLY 19 H GLY 19 -0.711 1.946 -2.512 107 HA2 GLY 19 1HA GLY 19 0.385 4.149 -2.998 108 HA3 GLY 19 2HA GLY 19 -0.377 4.709 -1.517 109 H LYS 20 H LYS 20 0.713 1.480 -1.429 110 HA LYS 20 HA LYS 20 2.551 2.007 0.659 111 HB2 LYS 20 1HB LYS 20 1.661 -0.375 -0.866 112 HB3 LYS 20 2HB LYS 20 3.228 -0.492 -0.077 113 HG2 LYS 20 1HG LYS 20 1.844 0.460 1.974 114 HG3 LYS 20 2HG LYS 20 0.515 -0.305 1.099 115 HD2 LYS 20 1HD LYS 20 1.337 -2.412 1.420 116 HD3 LYS 20 2HD LYS 20 3.016 -1.868 1.462 117 HE2 LYS 20 1HE LYS 20 2.734 -1.008 3.691 118 HE3 LYS 20 2HE LYS 20 1.006 -1.351 3.649 119 HZ1 LYS 20 3HZ LYS 20 1.591 -3.732 3.412 120 HZ2 LYS 20 1HZ LYS 20 2.089 -3.059 4.883 121 HZ3 LYS 20 2HZ LYS 20 3.217 -3.330 3.652 122 H ARG 21 H ARG 21 4.819 0.768 0.410 123 HA ARG 21 HA ARG 21 6.099 1.429 -2.121 124 HB2 ARG 21 1HB ARG 21 6.985 2.615 0.516 125 HB3 ARG 21 2HB ARG 21 7.892 2.711 -0.988 126 HG2 ARG 21 1HG ARG 21 5.697 3.786 -1.905 127 HG3 ARG 21 2HG ARG 21 5.378 4.098 -0.198 128 HD2 ARG 21 1HD ARG 21 7.875 4.977 -0.276 129 HD3 ARG 21 2HD ARG 21 7.483 5.206 -1.980 130 HE ARG 21 HE ARG 21 5.404 6.322 -0.538 131 HH11 ARG 21 1HH1 ARG 21 8.833 6.810 -0.890 132 HH12 ARG 21 2HH1 ARG 21 8.758 8.508 -0.555 133 HH21 ARG 21 1HH2 ARG 21 5.292 8.557 -0.095 134 HH22 ARG 21 2HH2 ARG 21 6.743 9.501 -0.102 135 H PHE 22 H PHE 22 8.195 0.476 -2.370 136 HA PHE 22 HA PHE 22 9.147 -1.339 -0.326 137 HB2 PHE 22 1HB PHE 22 8.423 -2.493 -3.018 138 HB3 PHE 22 2HB PHE 22 8.922 -3.357 -1.568 139 HD1 PHE 22 HD2 PHE 22 6.188 -1.333 -3.027 140 HD2 PHE 22 HD1 PHE 22 7.347 -4.093 -0.001 141 HE1 PHE 22 HE2 PHE 22 3.828 -1.631 -2.401 142 HE2 PHE 22 HE1 PHE 22 4.988 -4.397 0.629 143 HZ PHE 22 HZ PHE 22 3.225 -3.164 -0.570 144 H THR 23 H THR 23 11.268 -2.070 -0.686 145 HA THR 23 HA THR 23 12.830 -0.331 -2.366 146 HB THR 23 HB THR 23 13.611 -0.993 -0.111 147 HG1 THR 23 HG1 THR 23 15.010 -0.788 -2.292 148 HG21 THR 23 3HG2 THR 23 13.662 -3.715 -1.382 149 HG22 THR 23 1HG2 THR 23 12.952 -3.227 0.156 150 HG23 THR 23 2HG2 THR 23 14.705 -3.317 -0.017 151 H GLN 24 H GLN 24 11.287 -3.284 -2.813 152 HA GLN 24 HA GLN 24 12.815 -3.747 -5.266 153 HB2 GLN 24 1HB GLN 24 12.539 -5.610 -2.980 154 HB3 GLN 24 2HB GLN 24 12.325 -6.307 -4.580 155 HG2 GLN 24 1HG GLN 24 14.739 -4.868 -3.516 156 HG3 GLN 24 2HG GLN 24 14.604 -6.569 -3.958 157 HE21 GLN 24 1HE2 GLN 24 13.188 -6.248 -6.359 158 HE22 GLN 24 2HE2 GLN 24 14.242 -5.514 -7.515 159 H ASN 25 H ASN 25 11.663 -4.906 -6.895 160 HA ASN 25 HA ASN 25 8.924 -4.233 -7.044 161 HB2 ASN 25 1HB ASN 25 8.968 -5.688 -9.117 162 HB3 ASN 25 2HB ASN 25 10.146 -4.379 -9.086 163 HD21 ASN 25 1HD2 ASN 25 12.339 -4.887 -8.629 164 HD22 ASN 25 2HD2 ASN 25 12.958 -6.468 -8.950 165 H SER 26 H SER 26 10.567 -7.358 -6.619 166 HA SER 26 HA SER 26 8.456 -9.084 -6.600 167 HB2 SER 26 1HB SER 26 10.808 -9.125 -4.692 168 HB3 SER 26 2HB SER 26 9.759 -10.497 -5.052 169 HG SER 26 HG SER 26 11.049 -10.862 -6.657 170 H GLN 27 H GLN 27 9.451 -6.915 -4.007 171 HA GLN 27 HA GLN 27 7.662 -7.908 -2.049 172 HB2 GLN 27 1HB GLN 27 9.021 -5.227 -2.337 173 HB3 GLN 27 2HB GLN 27 8.079 -5.697 -0.929 174 HG2 GLN 27 1HG GLN 27 9.642 -7.668 -0.703 175 HG3 GLN 27 2HG GLN 27 10.655 -6.881 -1.912 176 HE21 GLN 27 1HE2 GLN 27 10.600 -4.298 -1.255 177 HE22 GLN 27 2HE2 GLN 27 11.240 -4.041 0.329 178 H LEU 28 H LEU 28 7.496 -4.997 -4.102 179 HA LEU 28 HA LEU 28 4.933 -4.194 -3.329 180 HB2 LEU 28 1HB LEU 28 6.334 -2.672 -4.500 181 HB3 LEU 28 2HB LEU 28 6.481 -3.768 -5.873 182 HG LEU 28 HG LEU 28 4.160 -3.365 -6.471 183 HD11 LEU 28 1HD1 LEU 28 3.573 -2.897 -3.978 184 HD12 LEU 28 2HD1 LEU 28 2.676 -2.086 -5.261 185 HD13 LEU 28 3HD1 LEU 28 3.952 -1.227 -4.399 186 HD21 LEU 28 3HD2 LEU 28 5.928 -1.872 -7.330 187 HD22 LEU 28 1HD2 LEU 28 5.620 -0.771 -5.988 188 HD23 LEU 28 2HD2 LEU 28 4.364 -1.069 -7.190 189 H HIS 29 H HIS 29 5.892 -5.970 -6.272 190 HA HIS 29 HA HIS 29 3.326 -6.475 -7.229 191 HB2 HIS 29 1HB HIS 29 5.972 -7.838 -7.591 192 HB3 HIS 29 2HB HIS 29 4.516 -8.557 -8.274 193 HD1 HIS 29 HD1 HIS 29 6.835 -7.487 -10.044 194 HD2 HIS 29 HD2 HIS 29 3.413 -5.345 -9.065 195 HE1 HIS 29 HE1 HIS 29 6.587 -5.755 -11.850 196 H SER 30 H SER 30 5.139 -8.022 -4.697 197 HA SER 30 HA SER 30 3.460 -10.353 -4.559 198 HB2 SER 30 1HB SER 30 5.660 -10.717 -3.797 199 HB3 SER 30 2HB SER 30 5.660 -9.246 -2.823 200 HG SER 30 HG SER 30 3.752 -11.174 -2.205 201 H HIS 31 H HIS 31 3.481 -7.173 -3.181 202 HA HIS 31 HA HIS 31 1.581 -7.840 -1.097 203 HB2 HIS 31 1HB HIS 31 2.923 -6.151 -0.310 204 HB3 HIS 31 2HB HIS 31 3.110 -5.414 -1.899 205 HD1 HIS 31 HD1 HIS 31 0.731 -5.560 1.012 206 HD2 HIS 31 HD2 HIS 31 1.307 -3.405 -2.493 207 HE1 HIS 31 HE1 HIS 31 -0.865 -3.621 1.145 208 H GLN 32 H GLN 32 1.611 -6.102 -4.176 209 HA GLN 32 HA GLN 32 -0.897 -4.992 -4.200 210 HB2 GLN 32 1HB GLN 32 0.788 -6.187 -6.376 211 HB3 GLN 32 2HB GLN 32 -0.814 -5.558 -6.738 212 HG2 GLN 32 1HG GLN 32 -0.168 -3.372 -5.908 213 HG3 GLN 32 2HG GLN 32 1.425 -3.992 -5.475 214 HE21 GLN 32 1HE2 GLN 32 1.784 -1.999 -6.935 215 HE22 GLN 32 2HE2 GLN 32 2.037 -2.349 -8.608 216 H ARG 33 H ARG 33 -0.051 -8.334 -4.299 217 HA ARG 33 HA ARG 33 -2.286 -9.450 -5.529 218 HB2 ARG 33 1HB ARG 33 -0.940 -10.701 -3.146 219 HB3 ARG 33 2HB ARG 33 -1.666 -11.498 -4.535 220 HG2 ARG 33 1HG ARG 33 0.145 -10.493 -5.943 221 HG3 ARG 33 2HG ARG 33 0.913 -9.957 -4.447 222 HD2 ARG 33 1HD ARG 33 0.240 -12.816 -5.130 223 HD3 ARG 33 2HD ARG 33 1.836 -12.085 -5.289 224 HE ARG 33 HE ARG 33 1.039 -11.680 -2.671 225 HH11 ARG 33 1HH1 ARG 33 1.689 -14.380 -4.770 226 HH12 ARG 33 2HH1 ARG 33 2.204 -15.423 -3.485 227 HH21 ARG 33 1HH2 ARG 33 1.714 -13.043 -0.971 228 HH22 ARG 33 2HH2 ARG 33 2.217 -14.661 -1.325 229 H VAL 34 H VAL 34 -1.867 -8.164 -2.305 230 HA VAL 34 HA VAL 34 -4.101 -9.272 -1.045 231 HB VAL 34 HB VAL 34 -3.934 -7.531 0.578 232 HG11 VAL 34 1HG1 VAL 34 -1.474 -8.710 -0.520 233 HG12 VAL 34 2HG1 VAL 34 -1.236 -7.343 0.570 234 HG13 VAL 34 3HG1 VAL 34 -2.128 -8.763 1.117 235 HG21 VAL 34 3HG2 VAL 34 -3.957 -5.566 -0.752 236 HG22 VAL 34 1HG2 VAL 34 -2.441 -5.545 0.148 237 HG23 VAL 34 2HG2 VAL 34 -2.449 -6.008 -1.553 238 H HIS 35 H HIS 35 -3.819 -6.619 -3.299 239 HA HIS 35 HA HIS 35 -6.478 -5.625 -2.843 240 HB2 HIS 35 1HB HIS 35 -4.382 -5.056 -4.935 241 HB3 HIS 35 2HB HIS 35 -5.984 -4.327 -4.988 242 HD1 HIS 35 HD1 HIS 35 -6.586 -2.689 -2.996 243 HD2 HIS 35 HD2 HIS 35 -2.611 -3.885 -3.184 244 HE1 HIS 35 HE1 HIS 35 -5.331 -1.087 -1.518 245 H THR 36 H THR 36 -4.976 -7.971 -4.917 246 HA THR 36 HA THR 36 -7.289 -8.174 -6.661 247 HB THR 36 HB THR 36 -6.035 -9.937 -7.817 248 HG1 THR 36 HG1 THR 36 -4.286 -9.598 -5.616 249 HG21 THR 36 3HG2 THR 36 -5.372 -7.230 -7.685 250 HG22 THR 36 1HG2 THR 36 -4.939 -8.365 -8.963 251 HG23 THR 36 2HG2 THR 36 -3.828 -8.079 -7.623 252 H GLY 37 H GLY 37 -7.863 -8.688 -3.947 253 HA2 GLY 37 1HA GLY 37 -8.944 -11.374 -4.211 254 HA3 GLY 37 2HA GLY 37 -7.824 -11.139 -2.876 255 H GLU 38 H GLU 38 -8.465 -8.688 -1.921 256 HA GLU 38 HA GLU 38 -11.002 -9.221 -0.647 257 HB2 GLU 38 1HB GLU 38 -8.879 -8.327 0.488 258 HB3 GLU 38 2HB GLU 38 -9.298 -6.777 -0.226 259 HG2 GLU 38 1HG GLU 38 -11.618 -7.245 0.907 260 HG3 GLU 38 2HG GLU 38 -10.650 -8.297 1.940 261 H LYS 39 H LYS 39 -11.312 -8.714 -3.373 262 HA LYS 39 HA LYS 39 -11.820 -6.188 -4.257 263 HB2 LYS 39 1HB LYS 39 -13.348 -7.113 -5.822 264 HB3 LYS 39 2HB LYS 39 -12.145 -8.359 -5.514 265 HG2 LYS 39 1HG LYS 39 -13.621 -9.688 -4.347 266 HG3 LYS 39 2HG LYS 39 -14.682 -8.336 -3.943 267 HD2 LYS 39 1HD LYS 39 -15.937 -9.337 -5.569 268 HD3 LYS 39 2HD LYS 39 -14.975 -8.247 -6.570 269 HE2 LYS 39 1HE LYS 39 -14.017 -11.022 -5.985 270 HE3 LYS 39 2HE LYS 39 -15.205 -10.737 -7.256 271 HZ1 LYS 39 3HZ LYS 39 -12.996 -10.727 -8.175 272 HZ2 LYS 39 1HZ LYS 39 -12.495 -9.534 -7.083 273 HZ3 LYS 39 2HZ LYS 39 -13.641 -9.166 -8.272 274 HA PRO 40 HA PRO 40 -14.983 -4.427 -1.764 275 HB2 PRO 40 1HB PRO 40 -16.092 -2.712 -3.553 276 HB3 PRO 40 2HB PRO 40 -14.510 -2.438 -2.813 277 HG2 PRO 40 1HG PRO 40 -15.171 -3.554 -5.511 278 HG3 PRO 40 2HG PRO 40 -13.921 -2.379 -5.062 279 HD2 PRO 40 1HD PRO 40 -13.374 -4.996 -5.490 280 HD3 PRO 40 2HD PRO 40 -12.476 -4.012 -4.316 281 H SER 41 H SER 41 -17.427 -3.737 -2.074 282 HA SER 41 HA SER 41 -19.574 -4.478 -2.222 283 HB2 SER 41 1HB SER 41 -18.506 -5.492 -4.863 284 HB3 SER 41 2HB SER 41 -20.211 -5.552 -4.417 285 HG SER 41 HG SER 41 -18.649 -3.183 -4.479 286 H GLY 42 H GLY 42 -17.979 -6.044 -0.626 287 HA2 GLY 42 1HA GLY 42 -18.673 -8.818 -1.323 288 HA3 GLY 42 2HA GLY 42 -17.470 -8.334 -0.137 289 HA PRO 43 HA PRO 43 -21.984 -8.028 1.698 290 HB2 PRO 43 1HB PRO 43 -23.583 -10.018 0.774 291 HB3 PRO 43 2HB PRO 43 -23.520 -8.414 0.034 292 HG2 PRO 43 1HG PRO 43 -22.163 -10.945 -0.812 293 HG3 PRO 43 2HG PRO 43 -22.989 -9.732 -1.807 294 HD2 PRO 43 1HD PRO 43 -20.293 -9.833 -1.570 295 HD3 PRO 43 2HD PRO 43 -21.175 -8.310 -1.800 296 H SER 44 H SER 44 -21.175 -8.729 3.613 297 HA SER 44 HA SER 44 -21.013 -11.645 4.012 298 HB2 SER 44 1HB SER 44 -18.783 -10.570 4.090 299 HB3 SER 44 2HB SER 44 -19.348 -9.523 5.391 300 HG SER 44 HG SER 44 -19.522 -11.276 6.723 301 H SER 45 H SER 45 -23.074 -11.895 4.817 302 HA SER 45 HA SER 45 -24.360 -10.236 6.654 303 HB2 SER 45 1HB SER 45 -24.663 -13.164 6.009 304 HB3 SER 45 2HB SER 45 -25.674 -12.374 7.218 305 HG SER 45 HG SER 45 -26.674 -11.269 5.689 306 H GLY 46 H GLY 46 -24.671 -10.381 8.903 307 HA2 GLY 46 1HA GLY 46 -23.670 -12.201 10.687 308 HA3 GLY 46 2HA GLY 46 -22.314 -11.134 10.355 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.691 -5.922 22.282 2 HA2 GLY 1 1HA GLY 1 5.160 -3.720 21.801 3 HA3 GLY 1 2HA GLY 1 6.876 -3.339 21.822 4 H SER 2 H SER 2 5.908 -1.991 19.961 5 HA SER 2 HA SER 2 5.340 -3.345 17.511 6 HB2 SER 2 1HB SER 2 4.404 -1.159 17.820 7 HB3 SER 2 2HB SER 2 5.991 -0.460 18.140 8 HG SER 2 HG SER 2 6.088 -0.113 16.080 9 H SER 3 H SER 3 6.620 -3.175 15.550 10 HA SER 3 HA SER 3 9.506 -2.882 16.012 11 HB2 SER 3 1HB SER 3 8.229 -5.178 14.506 12 HB3 SER 3 2HB SER 3 9.959 -4.914 14.723 13 HG SER 3 HG SER 3 8.282 -6.186 16.335 14 H GLY 4 H GLY 4 9.223 -0.836 14.951 15 HA2 GLY 4 1HA GLY 4 8.912 0.567 13.119 16 HA3 GLY 4 2HA GLY 4 10.080 -0.556 12.438 17 H SER 5 H SER 5 6.600 -0.040 12.881 18 HA SER 5 HA SER 5 5.883 -1.963 10.880 19 HB2 SER 5 1HB SER 5 4.285 0.183 12.291 20 HB3 SER 5 2HB SER 5 3.587 -0.971 11.153 21 HG SER 5 HG SER 5 4.992 -2.371 12.878 22 H SER 6 H SER 6 5.965 1.583 11.031 23 HA SER 6 HA SER 6 5.640 1.651 8.106 24 HB2 SER 6 1HB SER 6 3.937 2.893 9.434 25 HB3 SER 6 2HB SER 6 5.226 3.905 10.085 26 HG SER 6 HG SER 6 5.697 4.316 7.747 27 H GLY 7 H GLY 7 7.822 1.245 7.620 28 HA2 GLY 7 1HA GLY 7 10.015 2.595 8.735 29 HA3 GLY 7 2HA GLY 7 9.994 1.820 7.158 30 H SER 8 H SER 8 11.335 4.266 7.900 31 HA SER 8 HA SER 8 9.963 6.106 6.055 32 HB2 SER 8 1HB SER 8 9.759 6.953 8.353 33 HB3 SER 8 2HB SER 8 11.510 6.870 8.545 34 HG SER 8 HG SER 8 9.959 8.726 7.219 35 H GLY 9 H GLY 9 11.127 6.501 4.299 36 HA2 GLY 9 1HA GLY 9 13.808 7.299 4.283 37 HA3 GLY 9 2HA GLY 9 13.766 5.574 3.947 38 H GLU 10 H GLU 10 13.850 5.130 1.858 39 HA GLU 10 HA GLU 10 12.220 6.684 -0.002 40 HB2 GLU 10 1HB GLU 10 14.088 6.903 -1.592 41 HB3 GLU 10 2HB GLU 10 14.392 7.771 -0.094 42 HG2 GLU 10 1HG GLU 10 15.782 5.878 0.673 43 HG3 GLU 10 2HG GLU 10 15.542 5.109 -0.894 44 H LYS 11 H LYS 11 11.369 5.496 -1.631 45 HA LYS 11 HA LYS 11 12.452 2.848 -2.204 46 HB2 LYS 11 1HB LYS 11 9.693 3.387 -1.133 47 HB3 LYS 11 2HB LYS 11 10.031 1.965 -2.112 48 HG2 LYS 11 1HG LYS 11 11.518 1.090 -0.507 49 HG3 LYS 11 2HG LYS 11 11.584 2.618 0.375 50 HD2 LYS 11 1HD LYS 11 8.941 1.291 0.047 51 HD3 LYS 11 2HD LYS 11 10.084 0.602 1.202 52 HE2 LYS 11 1HE LYS 11 9.336 3.516 1.183 53 HE3 LYS 11 2HE LYS 11 8.448 2.309 2.113 54 HZ1 LYS 11 3HZ LYS 11 10.102 2.116 3.607 55 HZ2 LYS 11 1HZ LYS 11 10.514 3.669 3.076 56 HZ3 LYS 11 2HZ LYS 11 11.332 2.321 2.465 57 HA PRO 12 HA PRO 12 11.482 4.435 -6.250 58 HB2 PRO 12 1HB PRO 12 12.391 2.276 -7.623 59 HB3 PRO 12 2HB PRO 12 13.466 3.492 -6.924 60 HG2 PRO 12 1HG PRO 12 12.702 0.802 -5.857 61 HG3 PRO 12 2HG PRO 12 14.295 1.578 -5.896 62 HD2 PRO 12 1HD PRO 12 12.758 1.518 -3.668 63 HD3 PRO 12 2HD PRO 12 13.852 2.867 -4.037 64 H PHE 13 H PHE 13 10.247 1.594 -4.747 65 HA PHE 13 HA PHE 13 8.261 1.241 -6.886 66 HB2 PHE 13 1HB PHE 13 8.921 -0.624 -4.598 67 HB3 PHE 13 2HB PHE 13 7.831 -0.961 -5.938 68 HD1 PHE 13 HD1 PHE 13 11.332 -0.575 -4.932 69 HD2 PHE 13 HD2 PHE 13 8.671 -1.552 -8.106 70 HE1 PHE 13 HE1 PHE 13 13.214 -1.497 -6.221 71 HE2 PHE 13 HE2 PHE 13 10.548 -2.477 -9.400 72 HZ PHE 13 HZ PHE 13 12.823 -2.451 -8.457 73 H LYS 14 H LYS 14 6.124 1.535 -6.518 74 HA LYS 14 HA LYS 14 5.174 1.942 -3.788 75 HB2 LYS 14 1HB LYS 14 5.779 4.181 -4.489 76 HB3 LYS 14 2HB LYS 14 4.891 3.988 -5.995 77 HG2 LYS 14 1HG LYS 14 2.845 3.608 -4.455 78 HG3 LYS 14 2HG LYS 14 3.848 4.378 -3.223 79 HD2 LYS 14 1HD LYS 14 4.187 6.276 -4.844 80 HD3 LYS 14 2HD LYS 14 2.951 5.530 -5.860 81 HE2 LYS 14 1HE LYS 14 1.703 7.035 -4.640 82 HE3 LYS 14 2HE LYS 14 1.529 5.569 -3.676 83 HZ1 LYS 14 3HZ LYS 14 2.028 7.283 -2.172 84 HZ2 LYS 14 1HZ LYS 14 3.268 7.904 -3.141 85 HZ3 LYS 14 2HZ LYS 14 3.475 6.424 -2.349 86 H CYS 15 H CYS 15 3.253 1.014 -3.481 87 HA CYS 15 HA CYS 15 1.937 -0.313 -5.648 88 HB2 CYS 15 1HB CYS 15 2.081 -1.208 -3.309 89 HB3 CYS 15 2HB CYS 15 0.951 0.048 -2.812 90 H GLU 16 H GLU 16 0.953 0.991 -7.093 91 HA GLU 16 HA GLU 16 -0.318 3.423 -6.532 92 HB2 GLU 16 1HB GLU 16 -0.855 1.521 -8.820 93 HB3 GLU 16 2HB GLU 16 -1.316 3.217 -8.764 94 HG2 GLU 16 1HG GLU 16 0.883 3.950 -8.962 95 HG3 GLU 16 2HG GLU 16 1.545 2.386 -8.491 96 H GLU 17 H GLU 17 -1.392 0.160 -6.191 97 HA GLU 17 HA GLU 17 -4.155 0.449 -6.354 98 HB2 GLU 17 1HB GLU 17 -2.683 -1.342 -4.418 99 HB3 GLU 17 2HB GLU 17 -4.313 -1.567 -5.036 100 HG2 GLU 17 1HG GLU 17 -3.081 -1.575 -7.356 101 HG3 GLU 17 2HG GLU 17 -1.697 -2.033 -6.365 102 H CYS 18 H CYS 18 -2.074 0.688 -3.472 103 HA CYS 18 HA CYS 18 -4.230 2.212 -2.161 104 HB2 CYS 18 1HB CYS 18 -3.353 1.390 -0.010 105 HB3 CYS 18 2HB CYS 18 -3.864 0.067 -1.054 106 H GLY 19 H GLY 19 -0.739 1.879 -2.600 107 HA2 GLY 19 1HA GLY 19 0.359 4.090 -3.069 108 HA3 GLY 19 2HA GLY 19 -0.436 4.645 -1.603 109 H LYS 20 H LYS 20 0.678 1.418 -1.523 110 HA LYS 20 HA LYS 20 2.459 1.936 0.618 111 HB2 LYS 20 1HB LYS 20 1.644 -0.439 -0.967 112 HB3 LYS 20 2HB LYS 20 3.179 -0.545 -0.115 113 HG2 LYS 20 1HG LYS 20 1.770 0.319 1.913 114 HG3 LYS 20 2HG LYS 20 0.417 -0.315 0.972 115 HD2 LYS 20 1HD LYS 20 0.977 -2.167 2.208 116 HD3 LYS 20 2HD LYS 20 1.967 -2.428 0.770 117 HE2 LYS 20 1HE LYS 20 3.474 -2.803 2.486 118 HE3 LYS 20 2HE LYS 20 3.774 -1.113 2.084 119 HZ1 LYS 20 3HZ LYS 20 3.552 -1.689 4.522 120 HZ2 LYS 20 1HZ LYS 20 1.899 -1.901 4.231 121 HZ3 LYS 20 2HZ LYS 20 2.617 -0.393 3.968 122 H ARG 21 H ARG 21 4.737 0.666 0.376 123 HA ARG 21 HA ARG 21 6.070 1.414 -2.101 124 HB2 ARG 21 1HB ARG 21 6.946 2.488 0.587 125 HB3 ARG 21 2HB ARG 21 7.825 2.676 -0.924 126 HG2 ARG 21 1HG ARG 21 5.626 3.782 -1.759 127 HG3 ARG 21 2HG ARG 21 5.289 3.970 -0.037 128 HD2 ARG 21 1HD ARG 21 7.885 4.855 -1.263 129 HD3 ARG 21 2HD ARG 21 6.466 5.900 -1.226 130 HE ARG 21 HE ARG 21 8.219 5.341 0.935 131 HH11 ARG 21 1HH1 ARG 21 4.877 5.943 0.169 132 HH12 ARG 21 2HH1 ARG 21 4.499 6.589 1.731 133 HH21 ARG 21 1HH2 ARG 21 7.734 6.190 2.996 134 HH22 ARG 21 2HH2 ARG 21 6.126 6.730 3.338 135 H PHE 22 H PHE 22 8.249 0.540 -2.260 136 HA PHE 22 HA PHE 22 9.111 -1.380 -0.285 137 HB2 PHE 22 1HB PHE 22 8.488 -2.413 -3.051 138 HB3 PHE 22 2HB PHE 22 8.953 -3.342 -1.630 139 HD1 PHE 22 HD2 PHE 22 6.242 -1.285 -3.081 140 HD2 PHE 22 HD1 PHE 22 7.342 -4.156 -0.138 141 HE1 PHE 22 HE2 PHE 22 3.868 -1.634 -2.540 142 HE2 PHE 22 HE1 PHE 22 4.969 -4.511 0.407 143 HZ PHE 22 HZ PHE 22 3.228 -3.249 -0.794 144 H THR 23 H THR 23 11.225 -2.232 -0.718 145 HA THR 23 HA THR 23 12.874 -0.353 -2.158 146 HB THR 23 HB THR 23 13.592 -1.248 0.029 147 HG1 THR 23 HG1 THR 23 15.127 -1.548 -2.300 148 HG21 THR 23 3HG2 THR 23 13.259 -3.425 0.416 149 HG22 THR 23 1HG2 THR 23 14.683 -3.725 -0.579 150 HG23 THR 23 2HG2 THR 23 13.075 -3.777 -1.302 151 H GLN 24 H GLN 24 11.295 -3.234 -2.917 152 HA GLN 24 HA GLN 24 12.796 -3.433 -5.413 153 HB2 GLN 24 1HB GLN 24 12.699 -5.495 -3.298 154 HB3 GLN 24 2HB GLN 24 12.417 -6.072 -4.935 155 HG2 GLN 24 1HG GLN 24 14.735 -4.282 -4.497 156 HG3 GLN 24 2HG GLN 24 14.838 -5.925 -3.868 157 HE21 GLN 24 1HE2 GLN 24 13.403 -4.548 -6.804 158 HE22 GLN 24 2HE2 GLN 24 14.274 -5.552 -7.908 159 H ASN 25 H ASN 25 11.669 -4.962 -6.963 160 HA ASN 25 HA ASN 25 8.918 -4.208 -7.124 161 HB2 ASN 25 1HB ASN 25 8.904 -5.418 -9.233 162 HB3 ASN 25 2HB ASN 25 10.369 -4.447 -9.120 163 HD21 ASN 25 1HD2 ASN 25 12.353 -5.465 -8.821 164 HD22 ASN 25 2HD2 ASN 25 12.567 -7.153 -9.123 165 H SER 26 H SER 26 10.563 -7.355 -6.820 166 HA SER 26 HA SER 26 8.469 -9.073 -6.707 167 HB2 SER 26 1HB SER 26 10.880 -9.111 -4.875 168 HB3 SER 26 2HB SER 26 9.819 -10.484 -5.192 169 HG SER 26 HG SER 26 10.539 -9.603 -7.539 170 H GLN 27 H GLN 27 9.503 -6.871 -4.166 171 HA GLN 27 HA GLN 27 7.805 -7.882 -2.137 172 HB2 GLN 27 1HB GLN 27 9.035 -5.143 -2.479 173 HB3 GLN 27 2HB GLN 27 8.233 -5.703 -1.018 174 HG2 GLN 27 1HG GLN 27 9.926 -7.591 -0.989 175 HG3 GLN 27 2HG GLN 27 10.801 -6.680 -2.219 176 HE21 GLN 27 1HE2 GLN 27 10.749 -4.172 -1.488 177 HE22 GLN 27 2HE2 GLN 27 11.423 -3.930 0.084 178 H LEU 28 H LEU 28 7.507 -4.988 -4.200 179 HA LEU 28 HA LEU 28 4.955 -4.234 -3.355 180 HB2 LEU 28 1HB LEU 28 6.250 -2.684 -4.585 181 HB3 LEU 28 2HB LEU 28 6.433 -3.801 -5.936 182 HG LEU 28 HG LEU 28 4.065 -3.522 -6.487 183 HD11 LEU 28 1HD1 LEU 28 3.872 -1.279 -4.526 184 HD12 LEU 28 2HD1 LEU 28 3.530 -2.931 -4.013 185 HD13 LEU 28 3HD1 LEU 28 2.589 -2.199 -5.312 186 HD21 LEU 28 3HD2 LEU 28 6.104 -1.525 -6.670 187 HD22 LEU 28 1HD2 LEU 28 4.528 -0.746 -6.528 188 HD23 LEU 28 2HD2 LEU 28 4.821 -1.915 -7.816 189 H HIS 29 H HIS 29 5.863 -6.063 -6.280 190 HA HIS 29 HA HIS 29 3.300 -6.613 -7.195 191 HB2 HIS 29 1HB HIS 29 5.925 -8.044 -7.486 192 HB3 HIS 29 2HB HIS 29 4.455 -8.729 -8.173 193 HD1 HIS 29 HD1 HIS 29 5.591 -8.387 -10.533 194 HD2 HIS 29 HD2 HIS 29 4.724 -4.895 -8.457 195 HE1 HIS 29 HE1 HIS 29 5.745 -6.539 -12.232 196 H SER 30 H SER 30 5.101 -8.050 -4.593 197 HA SER 30 HA SER 30 3.433 -10.375 -4.352 198 HB2 SER 30 1HB SER 30 5.598 -10.708 -3.516 199 HB3 SER 30 2HB SER 30 5.613 -9.159 -2.674 200 HG SER 30 HG SER 30 4.362 -9.987 -1.095 201 H HIS 31 H HIS 31 3.455 -7.140 -3.067 202 HA HIS 31 HA HIS 31 1.488 -7.723 -1.025 203 HB2 HIS 31 1HB HIS 31 2.879 -6.023 -0.301 204 HB3 HIS 31 2HB HIS 31 2.998 -5.295 -1.900 205 HD1 HIS 31 HD1 HIS 31 0.976 -5.254 1.213 206 HD2 HIS 31 HD2 HIS 31 0.870 -3.553 -2.576 207 HE1 HIS 31 HE1 HIS 31 -0.727 -3.408 1.352 208 H GLN 32 H GLN 32 1.604 -6.157 -4.186 209 HA GLN 32 HA GLN 32 -0.889 -5.006 -4.313 210 HB2 GLN 32 1HB GLN 32 0.838 -6.315 -6.387 211 HB3 GLN 32 2HB GLN 32 -0.755 -5.707 -6.820 212 HG2 GLN 32 1HG GLN 32 -0.112 -3.480 -6.030 213 HG3 GLN 32 2HG GLN 32 1.491 -4.096 -5.628 214 HE21 GLN 32 1HE2 GLN 32 2.009 -2.253 -7.114 215 HE22 GLN 32 2HE2 GLN 32 2.133 -2.613 -8.799 216 H ARG 33 H ARG 33 -0.068 -8.368 -4.302 217 HA ARG 33 HA ARG 33 -2.328 -9.484 -5.494 218 HB2 ARG 33 1HB ARG 33 -0.991 -10.722 -3.103 219 HB3 ARG 33 2HB ARG 33 -1.703 -11.520 -4.499 220 HG2 ARG 33 1HG ARG 33 0.133 -10.497 -5.882 221 HG3 ARG 33 2HG ARG 33 0.889 -10.007 -4.364 222 HD2 ARG 33 1HD ARG 33 1.925 -12.029 -4.833 223 HD3 ARG 33 2HD ARG 33 0.649 -12.490 -3.707 224 HE ARG 33 HE ARG 33 -0.252 -12.689 -6.387 225 HH11 ARG 33 1HH1 ARG 33 1.758 -14.278 -4.031 226 HH12 ARG 33 2HH1 ARG 33 1.558 -15.851 -4.729 227 HH21 ARG 33 1HH2 ARG 33 -0.523 -14.754 -7.316 228 HH22 ARG 33 2HH2 ARG 33 0.261 -16.120 -6.599 229 H VAL 34 H VAL 34 -1.866 -8.113 -2.317 230 HA VAL 34 HA VAL 34 -4.091 -9.186 -1.001 231 HB VAL 34 HB VAL 34 -3.913 -7.365 0.560 232 HG11 VAL 34 1HG1 VAL 34 -2.196 -8.733 1.130 233 HG12 VAL 34 2HG1 VAL 34 -1.449 -8.644 -0.466 234 HG13 VAL 34 3HG1 VAL 34 -1.246 -7.318 0.679 235 HG21 VAL 34 3HG2 VAL 34 -2.053 -5.593 -0.116 236 HG22 VAL 34 1HG2 VAL 34 -2.631 -5.990 -1.735 237 HG23 VAL 34 2HG2 VAL 34 -3.753 -5.368 -0.525 238 H HIS 35 H HIS 35 -3.825 -6.640 -3.359 239 HA HIS 35 HA HIS 35 -6.449 -5.564 -2.877 240 HB2 HIS 35 1HB HIS 35 -4.365 -5.128 -5.005 241 HB3 HIS 35 2HB HIS 35 -5.971 -4.416 -5.135 242 HD1 HIS 35 HD1 HIS 35 -6.584 -2.558 -3.412 243 HD2 HIS 35 HD2 HIS 35 -2.667 -3.919 -3.168 244 HE1 HIS 35 HE1 HIS 35 -5.374 -0.872 -1.991 245 H THR 36 H THR 36 -5.125 -8.156 -4.698 246 HA THR 36 HA THR 36 -7.424 -8.345 -6.474 247 HB THR 36 HB THR 36 -6.283 -10.203 -7.524 248 HG1 THR 36 HG1 THR 36 -3.970 -10.427 -6.465 249 HG21 THR 36 3HG2 THR 36 -5.461 -7.652 -7.665 250 HG22 THR 36 1HG2 THR 36 -4.718 -8.952 -8.595 251 HG23 THR 36 2HG2 THR 36 -3.972 -8.405 -7.094 252 H GLY 37 H GLY 37 -5.885 -10.247 -3.892 253 HA2 GLY 37 1HA GLY 37 -7.758 -12.354 -3.886 254 HA3 GLY 37 2HA GLY 37 -6.701 -11.921 -2.550 255 H GLU 38 H GLU 38 -7.456 -10.560 -0.918 256 HA GLU 38 HA GLU 38 -10.364 -10.483 -0.711 257 HB2 GLU 38 1HB GLU 38 -9.975 -9.949 1.654 258 HB3 GLU 38 2HB GLU 38 -9.124 -11.410 1.173 259 HG2 GLU 38 1HG GLU 38 -7.039 -10.327 1.178 260 HG3 GLU 38 2HG GLU 38 -7.781 -8.729 1.237 261 H LYS 39 H LYS 39 -11.560 -8.632 -0.428 262 HA LYS 39 HA LYS 39 -10.149 -6.111 -1.000 263 HB2 LYS 39 1HB LYS 39 -12.298 -5.310 -1.922 264 HB3 LYS 39 2HB LYS 39 -11.688 -6.724 -2.772 265 HG2 LYS 39 1HG LYS 39 -13.870 -7.317 -2.555 266 HG3 LYS 39 2HG LYS 39 -13.234 -7.994 -1.054 267 HD2 LYS 39 1HD LYS 39 -15.196 -6.836 -0.446 268 HD3 LYS 39 2HD LYS 39 -13.860 -5.788 0.036 269 HE2 LYS 39 1HE LYS 39 -15.484 -4.405 -1.010 270 HE3 LYS 39 2HE LYS 39 -14.151 -4.584 -2.150 271 HZ1 LYS 39 3HZ LYS 39 -16.879 -5.615 -2.304 272 HZ2 LYS 39 1HZ LYS 39 -15.651 -6.580 -2.954 273 HZ3 LYS 39 2HZ LYS 39 -15.883 -5.006 -3.528 274 HA PRO 40 HA PRO 40 -11.364 -4.561 2.934 275 HB2 PRO 40 1HB PRO 40 -11.312 -1.900 2.396 276 HB3 PRO 40 2HB PRO 40 -9.847 -2.873 2.574 277 HG2 PRO 40 1HG PRO 40 -11.236 -1.980 0.077 278 HG3 PRO 40 2HG PRO 40 -9.501 -2.006 0.444 279 HD2 PRO 40 1HD PRO 40 -10.701 -3.912 -1.058 280 HD3 PRO 40 2HD PRO 40 -9.311 -4.257 -0.009 281 H SER 41 H SER 41 -12.969 -3.023 3.932 282 HA SER 41 HA SER 41 -15.555 -3.468 2.712 283 HB2 SER 41 1HB SER 41 -14.887 -2.100 5.329 284 HB3 SER 41 2HB SER 41 -16.476 -2.671 4.820 285 HG SER 41 HG SER 41 -14.457 -4.039 5.985 286 H GLY 42 H GLY 42 -13.556 -0.700 3.669 287 HA2 GLY 42 1HA GLY 42 -15.292 1.380 3.131 288 HA3 GLY 42 2HA GLY 42 -13.550 1.472 2.920 289 HA PRO 43 HA PRO 43 -15.674 2.049 -1.198 290 HB2 PRO 43 1HB PRO 43 -14.447 4.395 -1.800 291 HB3 PRO 43 2HB PRO 43 -15.957 4.307 -0.885 292 HG2 PRO 43 1HG PRO 43 -13.156 4.654 0.112 293 HG3 PRO 43 2HG PRO 43 -14.637 5.484 0.624 294 HD2 PRO 43 1HD PRO 43 -13.557 3.435 2.026 295 HD3 PRO 43 2HD PRO 43 -15.306 3.733 1.964 296 H SER 44 H SER 44 -14.765 0.936 -2.798 297 HA SER 44 HA SER 44 -12.102 0.114 -2.863 298 HB2 SER 44 1HB SER 44 -12.574 -0.827 -4.995 299 HB3 SER 44 2HB SER 44 -14.091 -0.899 -4.099 300 HG SER 44 HG SER 44 -14.916 0.218 -5.661 301 H SER 45 H SER 45 -10.766 0.503 -5.011 302 HA SER 45 HA SER 45 -9.680 3.062 -4.845 303 HB2 SER 45 1HB SER 45 -8.719 0.869 -5.886 304 HB3 SER 45 2HB SER 45 -9.466 1.453 -7.373 305 HG SER 45 HG SER 45 -7.373 2.579 -5.868 306 H GLY 46 H GLY 46 -9.386 4.395 -7.023 307 HA2 GLY 46 1HA GLY 46 -11.859 5.670 -7.490 308 HA3 GLY 46 2HA GLY 46 -10.377 5.947 -8.393 Start of MODEL 11 1 H1 GLY 1 H GLY 1 7.231 17.474 19.598 2 HA2 GLY 1 1HA GLY 1 9.214 17.615 21.710 3 HA3 GLY 1 2HA GLY 1 9.260 16.142 20.752 4 H SER 2 H SER 2 10.382 16.150 18.905 5 HA SER 2 HA SER 2 11.539 18.701 18.045 6 HB2 SER 2 1HB SER 2 12.392 15.852 17.888 7 HB3 SER 2 2HB SER 2 12.912 16.925 16.589 8 HG SER 2 HG SER 2 13.286 17.440 19.355 9 H SER 3 H SER 3 12.085 18.602 15.544 10 HA SER 3 HA SER 3 9.502 18.455 14.224 11 HB2 SER 3 1HB SER 3 10.555 19.686 12.418 12 HB3 SER 3 2HB SER 3 10.983 20.443 13.952 13 HG SER 3 HG SER 3 12.943 19.068 13.800 14 H GLY 4 H GLY 4 12.757 17.091 13.830 15 HA2 GLY 4 1HA GLY 4 12.929 14.728 13.249 16 HA3 GLY 4 2HA GLY 4 11.540 14.953 12.197 17 H SER 5 H SER 5 13.058 13.876 10.664 18 HA SER 5 HA SER 5 14.531 15.934 9.189 19 HB2 SER 5 1HB SER 5 15.657 13.179 9.742 20 HB3 SER 5 2HB SER 5 16.435 14.467 8.822 21 HG SER 5 HG SER 5 16.230 14.117 11.544 22 H SER 6 H SER 6 15.291 14.885 7.000 23 HA SER 6 HA SER 6 13.024 13.323 5.945 24 HB2 SER 6 1HB SER 6 14.447 15.718 4.850 25 HB3 SER 6 2HB SER 6 13.764 14.543 3.726 26 HG SER 6 HG SER 6 12.306 16.254 4.300 27 H GLY 7 H GLY 7 13.619 11.342 5.384 28 HA2 GLY 7 1HA GLY 7 15.172 10.394 3.504 29 HA3 GLY 7 2HA GLY 7 16.416 10.838 4.663 30 H SER 8 H SER 8 13.236 9.238 4.892 31 HA SER 8 HA SER 8 14.414 7.277 6.709 32 HB2 SER 8 1HB SER 8 11.581 8.026 6.009 33 HB3 SER 8 2HB SER 8 11.947 6.550 6.902 34 HG SER 8 HG SER 8 12.756 9.158 7.678 35 H GLY 9 H GLY 9 15.275 7.053 4.065 36 HA2 GLY 9 1HA GLY 9 15.720 5.252 2.672 37 HA3 GLY 9 2HA GLY 9 14.484 4.332 3.518 38 H GLU 10 H GLU 10 15.262 6.062 0.710 39 HA GLU 10 HA GLU 10 12.532 6.567 -0.099 40 HB2 GLU 10 1HB GLU 10 15.233 7.057 -1.268 41 HB3 GLU 10 2HB GLU 10 13.853 7.008 -2.357 42 HG2 GLU 10 1HG GLU 10 13.839 8.737 0.086 43 HG3 GLU 10 2HG GLU 10 14.590 9.273 -1.416 44 H LYS 11 H LYS 11 11.254 5.183 -1.125 45 HA LYS 11 HA LYS 11 12.441 2.721 -2.206 46 HB2 LYS 11 1HB LYS 11 9.711 3.371 -1.123 47 HB3 LYS 11 2HB LYS 11 9.980 1.948 -2.120 48 HG2 LYS 11 1HG LYS 11 11.415 0.977 -0.531 49 HG3 LYS 11 2HG LYS 11 11.584 2.492 0.358 50 HD2 LYS 11 1HD LYS 11 8.967 2.237 0.598 51 HD3 LYS 11 2HD LYS 11 9.341 0.532 0.337 52 HE2 LYS 11 1HE LYS 11 11.190 1.054 2.167 53 HE3 LYS 11 2HE LYS 11 10.039 2.314 2.610 54 HZ1 LYS 11 3HZ LYS 11 8.323 0.584 2.780 55 HZ2 LYS 11 1HZ LYS 11 9.597 0.329 3.864 56 HZ3 LYS 11 2HZ LYS 11 9.487 -0.600 2.455 57 HA PRO 12 HA PRO 12 11.538 4.386 -6.238 58 HB2 PRO 12 1HB PRO 12 12.378 2.211 -7.629 59 HB3 PRO 12 2HB PRO 12 13.492 3.385 -6.917 60 HG2 PRO 12 1HG PRO 12 12.637 0.711 -5.877 61 HG3 PRO 12 2HG PRO 12 14.256 1.436 -5.905 62 HD2 PRO 12 1HD PRO 12 12.712 1.405 -3.681 63 HD3 PRO 12 2HD PRO 12 13.851 2.721 -4.035 64 H PHE 13 H PHE 13 10.281 1.471 -4.839 65 HA PHE 13 HA PHE 13 8.251 1.261 -6.951 66 HB2 PHE 13 1HB PHE 13 8.889 -0.698 -4.736 67 HB3 PHE 13 2HB PHE 13 7.783 -0.965 -6.079 68 HD1 PHE 13 HD1 PHE 13 11.298 -0.690 -5.085 69 HD2 PHE 13 HD2 PHE 13 8.596 -1.493 -8.274 70 HE1 PHE 13 HE1 PHE 13 13.151 -1.605 -6.420 71 HE2 PHE 13 HE2 PHE 13 10.444 -2.411 -9.614 72 HZ PHE 13 HZ PHE 13 12.725 -2.468 -8.687 73 H LYS 14 H LYS 14 6.118 1.560 -6.550 74 HA LYS 14 HA LYS 14 5.214 1.922 -3.796 75 HB2 LYS 14 1HB LYS 14 5.808 4.168 -4.449 76 HB3 LYS 14 2HB LYS 14 4.935 4.005 -5.967 77 HG2 LYS 14 1HG LYS 14 2.880 3.589 -4.423 78 HG3 LYS 14 2HG LYS 14 3.878 4.389 -3.206 79 HD2 LYS 14 1HD LYS 14 4.189 6.267 -4.855 80 HD3 LYS 14 2HD LYS 14 2.956 5.492 -5.854 81 HE2 LYS 14 1HE LYS 14 1.407 5.615 -3.901 82 HE3 LYS 14 2HE LYS 14 2.633 6.553 -3.050 83 HZ1 LYS 14 3HZ LYS 14 2.128 7.635 -5.627 84 HZ2 LYS 14 1HZ LYS 14 2.008 8.379 -4.113 85 HZ3 LYS 14 2HZ LYS 14 0.692 7.521 -4.740 86 H CYS 15 H CYS 15 3.281 1.021 -3.467 87 HA CYS 15 HA CYS 15 1.927 -0.286 -5.620 88 HB2 CYS 15 1HB CYS 15 2.075 -1.198 -3.298 89 HB3 CYS 15 2HB CYS 15 0.994 0.087 -2.767 90 H GLU 16 H GLU 16 0.875 0.956 -7.052 91 HA GLU 16 HA GLU 16 -0.337 3.431 -6.490 92 HB2 GLU 16 1HB GLU 16 -1.317 1.733 -8.745 93 HB3 GLU 16 2HB GLU 16 -0.997 3.461 -8.706 94 HG2 GLU 16 1HG GLU 16 0.766 2.803 -9.960 95 HG3 GLU 16 2HG GLU 16 1.488 2.619 -8.362 96 H GLU 17 H GLU 17 -1.441 0.179 -6.121 97 HA GLU 17 HA GLU 17 -4.202 0.493 -6.243 98 HB2 GLU 17 1HB GLU 17 -2.725 -1.295 -4.308 99 HB3 GLU 17 2HB GLU 17 -4.360 -1.513 -4.913 100 HG2 GLU 17 1HG GLU 17 -3.200 -1.586 -7.239 101 HG3 GLU 17 2HG GLU 17 -1.757 -1.953 -6.296 102 H CYS 18 H CYS 18 -2.090 0.711 -3.379 103 HA CYS 18 HA CYS 18 -4.210 2.276 -2.057 104 HB2 CYS 18 1HB CYS 18 -3.326 1.455 0.087 105 HB3 CYS 18 2HB CYS 18 -3.848 0.128 -0.946 106 H GLY 19 H GLY 19 -0.729 1.903 -2.541 107 HA2 GLY 19 1HA GLY 19 0.382 4.103 -3.035 108 HA3 GLY 19 2HA GLY 19 -0.380 4.667 -1.555 109 H LYS 20 H LYS 20 0.676 1.431 -1.454 110 HA LYS 20 HA LYS 20 2.502 1.926 0.643 111 HB2 LYS 20 1HB LYS 20 1.647 -0.435 -0.940 112 HB3 LYS 20 2HB LYS 20 3.197 -0.557 -0.117 113 HG2 LYS 20 1HG LYS 20 1.876 0.266 1.956 114 HG3 LYS 20 2HG LYS 20 0.460 -0.254 1.039 115 HD2 LYS 20 1HD LYS 20 0.988 -2.150 2.261 116 HD3 LYS 20 2HD LYS 20 1.791 -2.459 0.720 117 HE2 LYS 20 1HE LYS 20 3.907 -1.743 1.632 118 HE3 LYS 20 2HE LYS 20 3.134 -1.268 3.144 119 HZ1 LYS 20 3HZ LYS 20 2.995 -3.395 3.847 120 HZ2 LYS 20 1HZ LYS 20 4.317 -3.604 2.811 121 HZ3 LYS 20 2HZ LYS 20 2.763 -4.030 2.296 122 H ARG 21 H ARG 21 4.785 0.755 0.431 123 HA ARG 21 HA ARG 21 6.090 1.446 -2.084 124 HB2 ARG 21 1HB ARG 21 6.993 2.561 0.578 125 HB3 ARG 21 2HB ARG 21 7.836 2.750 -0.954 126 HG2 ARG 21 1HG ARG 21 5.638 3.835 -1.765 127 HG3 ARG 21 2HG ARG 21 5.275 3.992 -0.045 128 HD2 ARG 21 1HD ARG 21 7.866 4.950 -1.224 129 HD3 ARG 21 2HD ARG 21 6.423 5.963 -1.193 130 HE ARG 21 HE ARG 21 8.080 5.214 1.058 131 HH11 ARG 21 1HH1 ARG 21 5.029 6.499 -0.019 132 HH12 ARG 21 2HH1 ARG 21 4.686 7.294 1.482 133 HH21 ARG 21 1HH2 ARG 21 7.640 6.255 3.038 134 HH22 ARG 21 2HH2 ARG 21 6.172 7.155 3.220 135 H PHE 22 H PHE 22 8.186 0.500 -2.330 136 HA PHE 22 HA PHE 22 9.124 -1.345 -0.305 137 HB2 PHE 22 1HB PHE 22 8.436 -2.445 -3.029 138 HB3 PHE 22 2HB PHE 22 8.932 -3.339 -1.595 139 HD1 PHE 22 HD2 PHE 22 6.186 -1.370 -3.084 140 HD2 PHE 22 HD1 PHE 22 7.359 -4.059 0.000 141 HE1 PHE 22 HE2 PHE 22 3.824 -1.703 -2.480 142 HE2 PHE 22 HE1 PHE 22 4.999 -4.397 0.608 143 HZ PHE 22 HZ PHE 22 3.228 -3.217 -0.632 144 H THR 23 H THR 23 11.240 -2.143 -0.714 145 HA THR 23 HA THR 23 12.831 -0.332 -2.299 146 HB THR 23 HB THR 23 13.576 -1.098 -0.056 147 HG1 THR 23 HG1 THR 23 15.460 -0.632 -0.877 148 HG21 THR 23 3HG2 THR 23 14.416 -3.704 -1.238 149 HG22 THR 23 1HG2 THR 23 12.760 -3.532 -0.656 150 HG23 THR 23 2HG2 THR 23 14.113 -3.276 0.446 151 H GLN 24 H GLN 24 11.283 -3.268 -2.857 152 HA GLN 24 HA GLN 24 12.787 -3.625 -5.337 153 HB2 GLN 24 1HB GLN 24 12.644 -5.552 -3.101 154 HB3 GLN 24 2HB GLN 24 12.367 -6.224 -4.702 155 HG2 GLN 24 1HG GLN 24 14.707 -4.443 -4.357 156 HG3 GLN 24 2HG GLN 24 14.781 -6.045 -3.625 157 HE21 GLN 24 1HE2 GLN 24 13.397 -4.826 -6.655 158 HE22 GLN 24 2HE2 GLN 24 14.259 -5.913 -7.685 159 H ASN 25 H ASN 25 11.639 -4.819 -6.964 160 HA ASN 25 HA ASN 25 8.885 -4.197 -7.061 161 HB2 ASN 25 1HB ASN 25 8.922 -5.631 -9.149 162 HB3 ASN 25 2HB ASN 25 10.076 -4.300 -9.124 163 HD21 ASN 25 1HD2 ASN 25 12.276 -4.748 -8.843 164 HD22 ASN 25 2HD2 ASN 25 12.922 -6.323 -9.138 165 H SER 26 H SER 26 10.608 -7.277 -6.645 166 HA SER 26 HA SER 26 8.548 -9.064 -6.630 167 HB2 SER 26 1HB SER 26 10.910 -9.699 -6.335 168 HB3 SER 26 2HB SER 26 10.881 -9.042 -4.699 169 HG SER 26 HG SER 26 9.112 -10.592 -4.336 170 H GLN 27 H GLN 27 9.472 -6.861 -4.040 171 HA GLN 27 HA GLN 27 7.706 -7.903 -2.085 172 HB2 GLN 27 1HB GLN 27 9.021 -5.202 -2.377 173 HB3 GLN 27 2HB GLN 27 8.051 -5.658 -0.982 174 HG2 GLN 27 1HG GLN 27 9.627 -7.614 -0.694 175 HG3 GLN 27 2HG GLN 27 10.662 -6.828 -1.886 176 HE21 GLN 27 1HE2 GLN 27 10.569 -4.241 -1.264 177 HE22 GLN 27 2HE2 GLN 27 11.163 -3.958 0.333 178 H LEU 28 H LEU 28 7.470 -4.992 -4.132 179 HA LEU 28 HA LEU 28 4.892 -4.245 -3.371 180 HB2 LEU 28 1HB LEU 28 6.242 -2.703 -4.566 181 HB3 LEU 28 2HB LEU 28 6.429 -3.816 -5.920 182 HG LEU 28 HG LEU 28 4.088 -3.499 -6.521 183 HD11 LEU 28 1HD1 LEU 28 3.449 -2.996 -4.077 184 HD12 LEU 28 2HD1 LEU 28 2.599 -2.144 -5.365 185 HD13 LEU 28 3HD1 LEU 28 3.880 -1.331 -4.466 186 HD21 LEU 28 3HD2 LEU 28 4.571 -1.667 -7.710 187 HD22 LEU 28 1HD2 LEU 28 6.136 -1.728 -6.901 188 HD23 LEU 28 2HD2 LEU 28 4.857 -0.691 -6.269 189 H HIS 29 H HIS 29 5.874 -6.036 -6.297 190 HA HIS 29 HA HIS 29 3.349 -6.598 -7.281 191 HB2 HIS 29 1HB HIS 29 5.895 -8.216 -7.441 192 HB3 HIS 29 2HB HIS 29 4.442 -8.600 -8.359 193 HD1 HIS 29 HD1 HIS 29 5.926 -8.201 -10.516 194 HD2 HIS 29 HD2 HIS 29 5.244 -4.840 -8.172 195 HE1 HIS 29 HE1 HIS 29 6.537 -6.237 -11.963 196 H SER 30 H SER 30 5.096 -8.091 -4.658 197 HA SER 30 HA SER 30 3.364 -10.375 -4.460 198 HB2 SER 30 1HB SER 30 5.683 -9.298 -2.942 199 HB3 SER 30 2HB SER 30 4.577 -10.355 -2.066 200 HG SER 30 HG SER 30 6.289 -11.495 -3.114 201 H HIS 31 H HIS 31 3.482 -7.165 -3.111 202 HA HIS 31 HA HIS 31 1.521 -7.708 -1.066 203 HB2 HIS 31 1HB HIS 31 2.931 -6.007 -0.383 204 HB3 HIS 31 2HB HIS 31 3.028 -5.298 -1.992 205 HD1 HIS 31 HD1 HIS 31 0.843 -5.391 1.060 206 HD2 HIS 31 HD2 HIS 31 1.110 -3.373 -2.562 207 HE1 HIS 31 HE1 HIS 31 -0.795 -3.490 1.227 208 H GLN 32 H GLN 32 1.595 -6.165 -4.241 209 HA GLN 32 HA GLN 32 -0.905 -5.018 -4.334 210 HB2 GLN 32 1HB GLN 32 0.794 -6.323 -6.435 211 HB3 GLN 32 2HB GLN 32 -0.799 -5.700 -6.842 212 HG2 GLN 32 1HG GLN 32 -0.141 -3.483 -6.088 213 HG3 GLN 32 2HG GLN 32 1.449 -4.099 -5.641 214 HE21 GLN 32 1HE2 GLN 32 1.866 -2.192 -7.167 215 HE22 GLN 32 2HE2 GLN 32 2.086 -2.600 -8.831 216 H ARG 33 H ARG 33 -0.073 -8.372 -4.310 217 HA ARG 33 HA ARG 33 -2.341 -9.497 -5.486 218 HB2 ARG 33 1HB ARG 33 -0.936 -10.717 -3.120 219 HB3 ARG 33 2HB ARG 33 -1.709 -11.534 -4.472 220 HG2 ARG 33 1HG ARG 33 0.064 -10.578 -5.954 221 HG3 ARG 33 2HG ARG 33 0.877 -10.000 -4.498 222 HD2 ARG 33 1HD ARG 33 0.102 -12.880 -4.807 223 HD3 ARG 33 2HD ARG 33 1.599 -12.261 -5.503 224 HE ARG 33 HE ARG 33 1.202 -11.681 -2.695 225 HH11 ARG 33 1HH1 ARG 33 2.564 -13.836 -5.066 226 HH12 ARG 33 2HH1 ARG 33 3.725 -14.514 -3.973 227 HH21 ARG 33 1HH2 ARG 33 2.726 -12.566 -1.247 228 HH22 ARG 33 2HH2 ARG 33 3.815 -13.792 -1.801 229 H VAL 34 H VAL 34 -1.848 -8.115 -2.322 230 HA VAL 34 HA VAL 34 -4.050 -9.205 -0.977 231 HB VAL 34 HB VAL 34 -3.855 -7.391 0.590 232 HG11 VAL 34 1HG1 VAL 34 -2.132 -8.780 1.112 233 HG12 VAL 34 2HG1 VAL 34 -1.387 -8.638 -0.482 234 HG13 VAL 34 3HG1 VAL 34 -1.198 -7.342 0.700 235 HG21 VAL 34 3HG2 VAL 34 -2.014 -5.609 -0.095 236 HG22 VAL 34 1HG2 VAL 34 -2.593 -6.005 -1.713 237 HG23 VAL 34 2HG2 VAL 34 -3.716 -5.392 -0.500 238 H HIS 35 H HIS 35 -3.824 -6.677 -3.350 239 HA HIS 35 HA HIS 35 -6.463 -5.630 -2.826 240 HB2 HIS 35 1HB HIS 35 -4.390 -5.095 -4.946 241 HB3 HIS 35 2HB HIS 35 -6.000 -4.387 -5.024 242 HD1 HIS 35 HD1 HIS 35 -6.642 -2.775 -2.982 243 HD2 HIS 35 HD2 HIS 35 -2.626 -3.782 -3.320 244 HE1 HIS 35 HE1 HIS 35 -5.408 -1.100 -1.570 245 H THR 36 H THR 36 -5.006 -8.011 -4.895 246 HA THR 36 HA THR 36 -7.343 -8.235 -6.599 247 HB THR 36 HB THR 36 -6.099 -10.122 -7.653 248 HG1 THR 36 HG1 THR 36 -4.563 -9.785 -5.417 249 HG21 THR 36 3HG2 THR 36 -5.153 -8.611 -8.996 250 HG22 THR 36 1HG2 THR 36 -4.002 -8.135 -7.750 251 HG23 THR 36 2HG2 THR 36 -5.596 -7.383 -7.811 252 H GLY 37 H GLY 37 -7.895 -8.678 -3.867 253 HA2 GLY 37 1HA GLY 37 -8.468 -11.578 -3.866 254 HA3 GLY 37 2HA GLY 37 -8.149 -10.657 -2.404 255 H GLU 38 H GLU 38 -9.689 -8.511 -2.512 256 HA GLU 38 HA GLU 38 -12.408 -9.618 -2.723 257 HB2 GLU 38 1HB GLU 38 -11.328 -7.419 -0.954 258 HB3 GLU 38 2HB GLU 38 -13.025 -7.868 -1.055 259 HG2 GLU 38 1HG GLU 38 -12.686 -9.900 -0.001 260 HG3 GLU 38 2HG GLU 38 -10.961 -9.913 -0.363 261 H LYS 39 H LYS 39 -13.805 -8.731 -4.101 262 HA LYS 39 HA LYS 39 -13.140 -6.103 -5.259 263 HB2 LYS 39 1HB LYS 39 -14.111 -8.624 -6.557 264 HB3 LYS 39 2HB LYS 39 -14.500 -7.066 -7.273 265 HG2 LYS 39 1HG LYS 39 -12.232 -6.560 -7.657 266 HG3 LYS 39 2HG LYS 39 -11.685 -7.875 -6.613 267 HD2 LYS 39 1HD LYS 39 -13.375 -8.537 -8.975 268 HD3 LYS 39 2HD LYS 39 -11.680 -8.117 -9.239 269 HE2 LYS 39 1HE LYS 39 -12.345 -10.100 -7.121 270 HE3 LYS 39 2HE LYS 39 -12.436 -10.609 -8.806 271 HZ1 LYS 39 3HZ LYS 39 -10.270 -11.090 -8.265 272 HZ2 LYS 39 1HZ LYS 39 -10.091 -9.744 -7.256 273 HZ3 LYS 39 2HZ LYS 39 -10.097 -9.547 -8.936 274 HA PRO 40 HA PRO 40 -17.109 -4.689 -4.017 275 HB2 PRO 40 1HB PRO 40 -17.622 -2.866 -5.962 276 HB3 PRO 40 2HB PRO 40 -16.431 -2.598 -4.684 277 HG2 PRO 40 1HG PRO 40 -16.008 -3.492 -7.510 278 HG3 PRO 40 2HG PRO 40 -15.084 -2.314 -6.559 279 HD2 PRO 40 1HD PRO 40 -14.242 -4.859 -6.942 280 HD3 PRO 40 2HD PRO 40 -13.892 -3.951 -5.457 281 H SER 41 H SER 41 -19.289 -3.969 -5.275 282 HA SER 41 HA SER 41 -19.966 -5.707 -7.473 283 HB2 SER 41 1HB SER 41 -21.368 -6.129 -4.824 284 HB3 SER 41 2HB SER 41 -21.666 -6.997 -6.330 285 HG SER 41 HG SER 41 -19.988 -7.661 -4.445 286 H GLY 42 H GLY 42 -22.202 -5.378 -8.212 287 HA2 GLY 42 1HA GLY 42 -24.040 -4.069 -8.673 288 HA3 GLY 42 2HA GLY 42 -23.812 -3.300 -7.110 289 HA PRO 43 HA PRO 43 -21.377 -0.934 -10.618 290 HB2 PRO 43 1HB PRO 43 -22.745 -0.930 -12.963 291 HB3 PRO 43 2HB PRO 43 -21.500 -2.125 -12.579 292 HG2 PRO 43 1HG PRO 43 -24.478 -2.366 -12.398 293 HG3 PRO 43 2HG PRO 43 -23.297 -3.536 -13.015 294 HD2 PRO 43 1HD PRO 43 -24.378 -3.724 -10.539 295 HD3 PRO 43 2HD PRO 43 -22.725 -4.261 -10.903 296 H SER 44 H SER 44 -21.683 1.215 -10.570 297 HA SER 44 HA SER 44 -24.059 2.333 -9.559 298 HB2 SER 44 1HB SER 44 -21.734 3.678 -10.957 299 HB3 SER 44 2HB SER 44 -22.994 4.520 -10.054 300 HG SER 44 HG SER 44 -20.784 3.596 -9.082 301 H SER 45 H SER 45 -22.690 2.298 -12.833 302 HA SER 45 HA SER 45 -25.371 2.909 -13.871 303 HB2 SER 45 1HB SER 45 -23.736 4.902 -13.892 304 HB3 SER 45 2HB SER 45 -22.888 4.023 -15.164 305 HG SER 45 HG SER 45 -24.956 5.581 -15.456 306 H GLY 46 H GLY 46 -25.519 0.619 -14.216 307 HA2 GLY 46 1HA GLY 46 -25.401 -1.268 -15.518 308 HA3 GLY 46 2HA GLY 46 -24.935 -0.189 -16.824 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -1.928 19.378 7.680 2 HA2 GLY 1 1HA GLY 1 -1.884 16.875 7.230 3 HA3 GLY 1 2HA GLY 1 -2.422 17.325 5.618 4 H SER 2 H SER 2 0.109 18.455 7.865 5 HA SER 2 HA SER 2 1.919 19.103 5.785 6 HB2 SER 2 1HB SER 2 2.172 20.229 7.879 7 HB3 SER 2 2HB SER 2 2.300 18.705 8.757 8 HG SER 2 HG SER 2 4.359 18.803 8.415 9 H SER 3 H SER 3 2.758 17.631 4.464 10 HA SER 3 HA SER 3 3.181 14.904 5.290 11 HB2 SER 3 1HB SER 3 3.856 16.328 2.705 12 HB3 SER 3 2HB SER 3 4.013 14.592 2.969 13 HG SER 3 HG SER 3 1.998 15.381 1.956 14 H GLY 4 H GLY 4 5.118 13.849 5.590 15 HA2 GLY 4 1HA GLY 4 7.666 14.598 4.992 16 HA3 GLY 4 2HA GLY 4 7.314 15.495 6.462 17 H SER 5 H SER 5 6.988 12.182 5.184 18 HA SER 5 HA SER 5 7.714 11.185 7.857 19 HB2 SER 5 1HB SER 5 6.106 9.951 5.621 20 HB3 SER 5 2HB SER 5 6.729 8.998 6.968 21 HG SER 5 HG SER 5 4.646 10.796 6.890 22 H SER 6 H SER 6 8.295 10.712 4.393 23 HA SER 6 HA SER 6 10.038 8.676 4.265 24 HB2 SER 6 1HB SER 6 11.123 9.762 2.386 25 HB3 SER 6 2HB SER 6 9.401 10.139 2.349 26 HG SER 6 HG SER 6 9.817 12.179 2.826 27 H GLY 7 H GLY 7 11.486 8.164 5.798 28 HA2 GLY 7 1HA GLY 7 13.577 10.163 6.385 29 HA3 GLY 7 2HA GLY 7 12.852 9.207 7.670 30 H SER 8 H SER 8 14.972 9.156 4.892 31 HA SER 8 HA SER 8 16.657 7.753 4.282 32 HB2 SER 8 1HB SER 8 17.403 8.005 6.608 33 HB3 SER 8 2HB SER 8 16.341 6.686 7.099 34 HG SER 8 HG SER 8 17.637 5.255 6.134 35 H GLY 9 H GLY 9 14.118 7.045 3.466 36 HA2 GLY 9 1HA GLY 9 14.435 4.147 3.237 37 HA3 GLY 9 2HA GLY 9 12.906 4.740 3.868 38 H GLU 10 H GLU 10 15.015 5.874 1.232 39 HA GLU 10 HA GLU 10 12.880 6.562 -0.462 40 HB2 GLU 10 1HB GLU 10 15.161 7.481 -0.681 41 HB3 GLU 10 2HB GLU 10 15.735 5.907 -1.211 42 HG2 GLU 10 1HG GLU 10 14.154 6.062 -3.134 43 HG3 GLU 10 2HG GLU 10 13.804 7.717 -2.637 44 H LYS 11 H LYS 11 11.483 5.245 -1.404 45 HA LYS 11 HA LYS 11 12.412 2.582 -2.264 46 HB2 LYS 11 1HB LYS 11 9.672 3.464 -1.342 47 HB3 LYS 11 2HB LYS 11 10.014 1.888 -2.044 48 HG2 LYS 11 1HG LYS 11 11.404 1.283 -0.214 49 HG3 LYS 11 2HG LYS 11 11.374 2.926 0.429 50 HD2 LYS 11 1HD LYS 11 8.978 2.718 0.861 51 HD3 LYS 11 2HD LYS 11 8.993 1.084 0.195 52 HE2 LYS 11 1HE LYS 11 9.082 0.801 2.526 53 HE3 LYS 11 2HE LYS 11 10.735 0.546 1.967 54 HZ1 LYS 11 3HZ LYS 11 11.463 2.391 3.001 55 HZ2 LYS 11 1HZ LYS 11 10.104 2.155 3.981 56 HZ3 LYS 11 2HZ LYS 11 10.046 3.269 2.710 57 HA PRO 12 HA PRO 12 11.592 4.278 -6.319 58 HB2 PRO 12 1HB PRO 12 12.437 2.088 -7.683 59 HB3 PRO 12 2HB PRO 12 13.548 3.267 -6.977 60 HG2 PRO 12 1HG PRO 12 12.684 0.605 -5.914 61 HG3 PRO 12 2HG PRO 12 14.303 1.327 -5.941 62 HD2 PRO 12 1HD PRO 12 12.747 1.322 -3.725 63 HD3 PRO 12 2HD PRO 12 13.890 2.632 -4.086 64 H PHE 13 H PHE 13 10.238 1.497 -4.814 65 HA PHE 13 HA PHE 13 8.250 1.223 -6.965 66 HB2 PHE 13 1HB PHE 13 8.866 -0.700 -4.712 67 HB3 PHE 13 2HB PHE 13 7.752 -0.981 -6.046 68 HD1 PHE 13 HD1 PHE 13 11.277 -0.709 -5.076 69 HD2 PHE 13 HD2 PHE 13 8.548 -1.576 -8.226 70 HE1 PHE 13 HE1 PHE 13 13.115 -1.670 -6.400 71 HE2 PHE 13 HE2 PHE 13 10.382 -2.539 -9.554 72 HZ PHE 13 HZ PHE 13 12.669 -2.587 -8.641 73 H LYS 14 H LYS 14 6.091 1.451 -6.555 74 HA LYS 14 HA LYS 14 5.192 1.913 -3.821 75 HB2 LYS 14 1HB LYS 14 5.803 4.141 -4.558 76 HB3 LYS 14 2HB LYS 14 4.881 3.939 -6.042 77 HG2 LYS 14 1HG LYS 14 2.851 3.626 -4.515 78 HG3 LYS 14 2HG LYS 14 3.875 4.297 -3.243 79 HD2 LYS 14 1HD LYS 14 4.300 6.251 -4.785 80 HD3 LYS 14 2HD LYS 14 3.022 5.607 -5.818 81 HE2 LYS 14 1HE LYS 14 1.922 7.172 -4.486 82 HE3 LYS 14 2HE LYS 14 1.574 5.634 -3.698 83 HZ1 LYS 14 3HZ LYS 14 3.245 7.850 -2.791 84 HZ2 LYS 14 1HZ LYS 14 3.755 6.287 -2.391 85 HZ3 LYS 14 2HZ LYS 14 2.228 6.829 -1.905 86 H CYS 15 H CYS 15 3.255 1.028 -3.471 87 HA CYS 15 HA CYS 15 1.901 -0.321 -5.604 88 HB2 CYS 15 1HB CYS 15 2.076 -1.186 -3.253 89 HB3 CYS 15 2HB CYS 15 0.954 0.078 -2.761 90 H GLU 16 H GLU 16 1.013 1.088 -7.048 91 HA GLU 16 HA GLU 16 -0.266 3.494 -6.481 92 HB2 GLU 16 1HB GLU 16 -0.829 1.598 -8.768 93 HB3 GLU 16 2HB GLU 16 -1.281 3.296 -8.708 94 HG2 GLU 16 1HG GLU 16 1.134 3.866 -8.542 95 HG3 GLU 16 2HG GLU 16 1.502 2.160 -8.793 96 H GLU 17 H GLU 17 -1.380 0.238 -6.155 97 HA GLU 17 HA GLU 17 -4.137 0.556 -6.301 98 HB2 GLU 17 1HB GLU 17 -2.677 -1.245 -4.364 99 HB3 GLU 17 2HB GLU 17 -4.310 -1.457 -4.979 100 HG2 GLU 17 1HG GLU 17 -3.133 -1.515 -7.299 101 HG3 GLU 17 2HG GLU 17 -1.700 -1.899 -6.347 102 H CYS 18 H CYS 18 -2.050 0.772 -3.420 103 HA CYS 18 HA CYS 18 -4.189 2.320 -2.108 104 HB2 CYS 18 1HB CYS 18 -3.319 1.495 0.040 105 HB3 CYS 18 2HB CYS 18 -3.825 0.169 -1.002 106 H GLY 19 H GLY 19 -0.702 1.964 -2.564 107 HA2 GLY 19 1HA GLY 19 0.406 4.168 -3.041 108 HA3 GLY 19 2HA GLY 19 -0.375 4.728 -1.569 109 H LYS 20 H LYS 20 0.709 1.495 -1.482 110 HA LYS 20 HA LYS 20 2.522 2.016 0.634 111 HB2 LYS 20 1HB LYS 20 1.653 -0.370 -0.907 112 HB3 LYS 20 2HB LYS 20 3.191 -0.487 -0.062 113 HG2 LYS 20 1HG LYS 20 1.867 0.380 1.980 114 HG3 LYS 20 2HG LYS 20 0.445 -0.117 1.058 115 HD2 LYS 20 1HD LYS 20 0.852 -2.054 2.199 116 HD3 LYS 20 2HD LYS 20 1.856 -2.339 0.775 117 HE2 LYS 20 1HE LYS 20 3.825 -1.621 1.960 118 HE3 LYS 20 2HE LYS 20 2.858 -1.142 3.355 119 HZ1 LYS 20 3HZ LYS 20 3.743 -3.779 2.533 120 HZ2 LYS 20 1HZ LYS 20 2.154 -3.697 3.108 121 HZ3 LYS 20 2HZ LYS 20 3.434 -3.174 4.082 122 H ARG 21 H ARG 21 4.781 0.739 0.402 123 HA ARG 21 HA ARG 21 6.091 1.411 -2.112 124 HB2 ARG 21 1HB ARG 21 6.960 2.550 0.551 125 HB3 ARG 21 2HB ARG 21 7.900 2.639 -0.933 126 HG2 ARG 21 1HG ARG 21 5.772 3.777 -1.898 127 HG3 ARG 21 2HG ARG 21 5.382 4.059 -0.200 128 HD2 ARG 21 1HD ARG 21 8.108 4.745 -1.189 129 HD3 ARG 21 2HD ARG 21 6.764 5.814 -1.588 130 HE ARG 21 HE ARG 21 6.467 5.545 1.052 131 HH11 ARG 21 1HH1 ARG 21 9.278 6.222 -0.887 132 HH12 ARG 21 2HH1 ARG 21 10.062 7.158 0.343 133 HH21 ARG 21 1HH2 ARG 21 7.488 6.775 2.679 134 HH22 ARG 21 2HH2 ARG 21 9.043 7.471 2.371 135 H PHE 22 H PHE 22 8.269 0.517 -2.268 136 HA PHE 22 HA PHE 22 9.120 -1.385 -0.274 137 HB2 PHE 22 1HB PHE 22 8.459 -2.452 -3.018 138 HB3 PHE 22 2HB PHE 22 8.930 -3.365 -1.589 139 HD1 PHE 22 HD2 PHE 22 6.226 -1.285 -3.024 140 HD2 PHE 22 HD1 PHE 22 7.326 -4.158 -0.083 141 HE1 PHE 22 HE2 PHE 22 3.854 -1.602 -2.451 142 HE2 PHE 22 HE1 PHE 22 4.956 -4.480 0.494 143 HZ PHE 22 HZ PHE 22 3.216 -3.200 -0.690 144 H THR 23 H THR 23 11.235 -2.192 -0.642 145 HA THR 23 HA THR 23 12.883 -0.384 -2.158 146 HB THR 23 HB THR 23 13.537 -1.308 0.085 147 HG1 THR 23 HG1 THR 23 15.211 -0.447 -1.038 148 HG21 THR 23 3HG2 THR 23 14.634 -3.750 -1.125 149 HG22 THR 23 1HG2 THR 23 12.879 -3.734 -0.961 150 HG23 THR 23 2HG2 THR 23 13.899 -3.501 0.459 151 H GLN 24 H GLN 24 11.291 -3.278 -2.834 152 HA GLN 24 HA GLN 24 12.770 -3.544 -5.334 153 HB2 GLN 24 1HB GLN 24 12.703 -5.555 -3.165 154 HB3 GLN 24 2HB GLN 24 12.433 -6.168 -4.791 155 HG2 GLN 24 1HG GLN 24 14.831 -4.670 -3.774 156 HG3 GLN 24 2HG GLN 24 14.753 -6.349 -4.304 157 HE21 GLN 24 1HE2 GLN 24 13.253 -6.052 -6.613 158 HE22 GLN 24 2HE2 GLN 24 14.180 -5.173 -7.776 159 H ASN 25 H ASN 25 11.609 -4.663 -6.987 160 HA ASN 25 HA ASN 25 8.850 -4.109 -7.018 161 HB2 ASN 25 1HB ASN 25 8.863 -4.869 -9.208 162 HB3 ASN 25 2HB ASN 25 10.559 -4.452 -8.977 163 HD21 ASN 25 1HD2 ASN 25 12.015 -6.208 -8.386 164 HD22 ASN 25 2HD2 ASN 25 11.704 -7.791 -9.005 165 H SER 26 H SER 26 10.600 -7.196 -6.759 166 HA SER 26 HA SER 26 8.576 -9.003 -6.726 167 HB2 SER 26 1HB SER 26 11.044 -9.464 -6.402 168 HB3 SER 26 2HB SER 26 10.817 -9.074 -4.698 169 HG SER 26 HG SER 26 9.063 -10.746 -4.856 170 H GLN 27 H GLN 27 9.483 -6.830 -4.106 171 HA GLN 27 HA GLN 27 7.735 -7.940 -2.165 172 HB2 GLN 27 1HB GLN 27 8.992 -5.200 -2.371 173 HB3 GLN 27 2HB GLN 27 8.101 -5.775 -0.968 174 HG2 GLN 27 1HG GLN 27 9.758 -7.682 -0.865 175 HG3 GLN 27 2HG GLN 27 10.711 -6.787 -2.048 176 HE21 GLN 27 1HE2 GLN 27 10.676 -4.280 -1.309 177 HE22 GLN 27 2HE2 GLN 27 11.279 -4.058 0.294 178 H LEU 28 H LEU 28 7.487 -4.978 -4.136 179 HA LEU 28 HA LEU 28 4.923 -4.236 -3.344 180 HB2 LEU 28 1HB LEU 28 6.271 -2.694 -4.547 181 HB3 LEU 28 2HB LEU 28 6.418 -3.794 -5.916 182 HG LEU 28 HG LEU 28 4.068 -3.446 -6.464 183 HD11 LEU 28 1HD1 LEU 28 3.887 -1.268 -4.432 184 HD12 LEU 28 2HD1 LEU 28 3.539 -2.932 -3.966 185 HD13 LEU 28 3HD1 LEU 28 2.600 -2.159 -5.243 186 HD21 LEU 28 3HD2 LEU 28 5.743 -1.964 -7.445 187 HD22 LEU 28 1HD2 LEU 28 5.575 -0.861 -6.079 188 HD23 LEU 28 2HD2 LEU 28 4.219 -1.116 -7.178 189 H HIS 29 H HIS 29 5.893 -6.107 -6.218 190 HA HIS 29 HA HIS 29 3.317 -6.626 -7.174 191 HB2 HIS 29 1HB HIS 29 5.854 -8.247 -7.452 192 HB3 HIS 29 2HB HIS 29 4.381 -8.549 -8.369 193 HD1 HIS 29 HD1 HIS 29 7.295 -7.580 -9.429 194 HD2 HIS 29 HD2 HIS 29 3.823 -5.322 -9.099 195 HE1 HIS 29 HE1 HIS 29 7.567 -5.685 -11.060 196 H SER 30 H SER 30 5.142 -8.091 -4.605 197 HA SER 30 HA SER 30 3.470 -10.427 -4.406 198 HB2 SER 30 1HB SER 30 5.821 -9.338 -2.950 199 HB3 SER 30 2HB SER 30 4.761 -10.423 -2.051 200 HG SER 30 HG SER 30 5.637 -12.004 -3.098 201 H HIS 31 H HIS 31 3.404 -7.202 -3.225 202 HA HIS 31 HA HIS 31 1.555 -7.828 -1.065 203 HB2 HIS 31 1HB HIS 31 2.897 -6.125 -0.313 204 HB3 HIS 31 2HB HIS 31 3.094 -5.426 -1.918 205 HD1 HIS 31 HD1 HIS 31 0.868 -5.360 1.078 206 HD2 HIS 31 HD2 HIS 31 1.140 -3.554 -2.654 207 HE1 HIS 31 HE1 HIS 31 -0.760 -3.444 1.138 208 H GLN 32 H GLN 32 1.584 -6.102 -4.158 209 HA GLN 32 HA GLN 32 -0.923 -5.006 -4.202 210 HB2 GLN 32 1HB GLN 32 0.763 -6.231 -6.360 211 HB3 GLN 32 2HB GLN 32 -0.842 -5.615 -6.732 212 HG2 GLN 32 1HG GLN 32 -0.193 -3.414 -5.898 213 HG3 GLN 32 2HG GLN 32 1.415 -4.032 -5.524 214 HE21 GLN 32 1HE2 GLN 32 1.827 -2.096 -6.976 215 HE22 GLN 32 2HE2 GLN 32 1.976 -2.425 -8.666 216 H ARG 33 H ARG 33 -0.081 -8.350 -4.249 217 HA ARG 33 HA ARG 33 -2.299 -9.496 -5.469 218 HB2 ARG 33 1HB ARG 33 -1.014 -10.685 -3.023 219 HB3 ARG 33 2HB ARG 33 -1.696 -11.515 -4.416 220 HG2 ARG 33 1HG ARG 33 0.187 -10.359 -5.745 221 HG3 ARG 33 2HG ARG 33 0.926 -10.100 -4.164 222 HD2 ARG 33 1HD ARG 33 0.995 -12.449 -3.734 223 HD3 ARG 33 2HD ARG 33 0.023 -12.794 -5.164 224 HE ARG 33 HE ARG 33 2.525 -11.453 -5.693 225 HH11 ARG 33 1HH1 ARG 33 0.884 -14.505 -5.357 226 HH12 ARG 33 2HH1 ARG 33 2.047 -15.382 -6.295 227 HH21 ARG 33 1HH2 ARG 33 4.063 -12.597 -6.929 228 HH22 ARG 33 2HH2 ARG 33 3.855 -14.296 -7.188 229 H VAL 34 H VAL 34 -1.931 -8.137 -2.264 230 HA VAL 34 HA VAL 34 -4.198 -9.197 -1.025 231 HB VAL 34 HB VAL 34 -4.052 -7.418 0.559 232 HG11 VAL 34 1HG1 VAL 34 -1.364 -7.253 0.628 233 HG12 VAL 34 2HG1 VAL 34 -2.272 -8.674 1.148 234 HG13 VAL 34 3HG1 VAL 34 -1.564 -8.620 -0.468 235 HG21 VAL 34 3HG2 VAL 34 -4.017 -5.529 -0.958 236 HG22 VAL 34 1HG2 VAL 34 -2.664 -5.418 0.168 237 HG23 VAL 34 2HG2 VAL 34 -2.391 -5.953 -1.491 238 H HIS 35 H HIS 35 -3.847 -6.558 -3.297 239 HA HIS 35 HA HIS 35 -6.507 -5.547 -2.927 240 HB2 HIS 35 1HB HIS 35 -4.364 -5.047 -4.988 241 HB3 HIS 35 2HB HIS 35 -5.960 -4.312 -5.102 242 HD1 HIS 35 HD1 HIS 35 -6.585 -2.560 -3.249 243 HD2 HIS 35 HD2 HIS 35 -2.651 -3.891 -3.149 244 HE1 HIS 35 HE1 HIS 35 -5.364 -0.938 -1.766 245 H THR 36 H THR 36 -5.046 -8.045 -4.798 246 HA THR 36 HA THR 36 -7.328 -8.245 -6.606 247 HB THR 36 HB THR 36 -6.076 -10.005 -7.739 248 HG1 THR 36 HG1 THR 36 -4.287 -9.667 -5.556 249 HG21 THR 36 3HG2 THR 36 -4.042 -8.668 -8.370 250 HG22 THR 36 1HG2 THR 36 -4.488 -7.518 -7.110 251 HG23 THR 36 2HG2 THR 36 -5.568 -7.791 -8.478 252 H GLY 37 H GLY 37 -7.959 -8.685 -3.913 253 HA2 GLY 37 1HA GLY 37 -9.140 -11.300 -4.108 254 HA3 GLY 37 2HA GLY 37 -7.889 -11.207 -2.876 255 H GLU 38 H GLU 38 -8.389 -8.526 -2.055 256 HA GLU 38 HA GLU 38 -10.663 -9.021 -0.340 257 HB2 GLU 38 1HB GLU 38 -8.419 -7.961 0.347 258 HB3 GLU 38 2HB GLU 38 -9.031 -6.493 -0.402 259 HG2 GLU 38 1HG GLU 38 -10.694 -6.220 1.179 260 HG3 GLU 38 2HG GLU 38 -10.660 -7.916 1.656 261 H LYS 39 H LYS 39 -9.899 -7.107 -3.135 262 HA LYS 39 HA LYS 39 -12.687 -6.287 -3.322 263 HB2 LYS 39 1HB LYS 39 -10.384 -4.425 -2.977 264 HB3 LYS 39 2HB LYS 39 -11.669 -3.953 -4.082 265 HG2 LYS 39 1HG LYS 39 -13.301 -4.073 -2.327 266 HG3 LYS 39 2HG LYS 39 -12.107 -4.733 -1.208 267 HD2 LYS 39 1HD LYS 39 -10.834 -2.660 -1.319 268 HD3 LYS 39 2HD LYS 39 -11.984 -2.001 -2.485 269 HE2 LYS 39 1HE LYS 39 -12.457 -1.129 -0.279 270 HE3 LYS 39 2HE LYS 39 -13.766 -2.190 -0.797 271 HZ1 LYS 39 3HZ LYS 39 -13.481 -3.166 1.172 272 HZ2 LYS 39 1HZ LYS 39 -11.967 -2.455 1.428 273 HZ3 LYS 39 2HZ LYS 39 -12.093 -3.869 0.509 274 HA PRO 40 HA PRO 40 -12.170 -7.014 -7.618 275 HB2 PRO 40 1HB PRO 40 -13.762 -5.115 -8.728 276 HB3 PRO 40 2HB PRO 40 -14.400 -6.525 -7.874 277 HG2 PRO 40 1HG PRO 40 -14.033 -3.721 -6.891 278 HG3 PRO 40 2HG PRO 40 -15.403 -4.821 -6.649 279 HD2 PRO 40 1HD PRO 40 -13.513 -4.408 -4.754 280 HD3 PRO 40 2HD PRO 40 -14.347 -5.964 -4.948 281 H SER 41 H SER 41 -11.978 -5.581 -9.792 282 HA SER 41 HA SER 41 -9.427 -4.565 -9.882 283 HB2 SER 41 1HB SER 41 -11.813 -3.988 -11.639 284 HB3 SER 41 2HB SER 41 -10.198 -3.381 -12.003 285 HG SER 41 HG SER 41 -10.534 -5.343 -13.060 286 H GLY 42 H GLY 42 -12.299 -2.473 -10.210 287 HA2 GLY 42 1HA GLY 42 -11.888 -0.697 -8.179 288 HA3 GLY 42 2HA GLY 42 -10.787 -0.153 -9.436 289 HA PRO 43 HA PRO 43 -15.420 0.363 -10.876 290 HB2 PRO 43 1HB PRO 43 -17.098 0.907 -8.812 291 HB3 PRO 43 2HB PRO 43 -16.821 -0.729 -9.420 292 HG2 PRO 43 1HG PRO 43 -15.625 0.635 -7.039 293 HG3 PRO 43 2HG PRO 43 -16.240 -1.022 -7.187 294 HD2 PRO 43 1HD PRO 43 -13.599 -0.433 -7.292 295 HD3 PRO 43 2HD PRO 43 -14.314 -1.780 -8.201 296 H SER 44 H SER 44 -13.343 2.053 -8.911 297 HA SER 44 HA SER 44 -14.661 4.502 -8.509 298 HB2 SER 44 1HB SER 44 -11.715 3.886 -8.830 299 HB3 SER 44 2HB SER 44 -12.349 5.448 -8.310 300 HG SER 44 HG SER 44 -11.734 3.972 -6.585 301 H SER 45 H SER 45 -15.602 5.597 -10.109 302 HA SER 45 HA SER 45 -13.973 6.281 -12.453 303 HB2 SER 45 1HB SER 45 -16.002 6.038 -13.892 304 HB3 SER 45 2HB SER 45 -15.438 4.510 -13.216 305 HG SER 45 HG SER 45 -17.347 4.312 -12.390 306 H GLY 46 H GLY 46 -14.084 8.373 -13.055 307 HA2 GLY 46 1HA GLY 46 -16.336 10.036 -12.328 308 HA3 GLY 46 2HA GLY 46 -14.861 10.398 -11.444 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.683 19.947 21.554 2 HA2 GLY 1 1HA GLY 1 3.739 17.151 20.975 3 HA3 GLY 1 2HA GLY 1 2.131 17.820 20.739 4 H SER 2 H SER 2 5.019 17.153 19.256 5 HA SER 2 HA SER 2 4.305 18.854 16.981 6 HB2 SER 2 1HB SER 2 7.147 18.584 17.982 7 HB3 SER 2 2HB SER 2 6.587 19.573 16.634 8 HG SER 2 HG SER 2 6.796 20.288 19.147 9 H SER 3 H SER 3 4.800 18.001 14.974 10 HA SER 3 HA SER 3 5.317 15.137 14.965 11 HB2 SER 3 1HB SER 3 4.152 17.093 13.034 12 HB3 SER 3 2HB SER 3 4.869 15.616 12.389 13 HG SER 3 HG SER 3 2.848 14.999 12.803 14 H GLY 4 H GLY 4 7.568 15.258 15.513 15 HA2 GLY 4 1HA GLY 4 9.541 16.682 14.208 16 HA3 GLY 4 2HA GLY 4 9.783 15.096 14.926 17 H SER 5 H SER 5 9.114 13.218 13.559 18 HA SER 5 HA SER 5 9.428 13.782 10.690 19 HB2 SER 5 1HB SER 5 11.096 12.021 12.430 20 HB3 SER 5 2HB SER 5 10.768 11.487 10.781 21 HG SER 5 HG SER 5 11.435 14.036 10.654 22 H SER 6 H SER 6 8.379 12.381 9.293 23 HA SER 6 HA SER 6 6.304 10.743 10.549 24 HB2 SER 6 1HB SER 6 5.949 12.584 8.690 25 HB3 SER 6 2HB SER 6 6.393 11.267 7.604 26 HG SER 6 HG SER 6 4.151 11.546 9.252 27 H GLY 7 H GLY 7 8.536 10.530 7.770 28 HA2 GLY 7 1HA GLY 7 9.061 7.742 8.432 29 HA3 GLY 7 2HA GLY 7 8.283 8.032 6.884 30 H SER 8 H SER 8 11.022 7.026 7.759 31 HA SER 8 HA SER 8 12.602 8.875 6.093 32 HB2 SER 8 1HB SER 8 13.500 7.200 8.448 33 HB3 SER 8 2HB SER 8 14.598 8.069 7.377 34 HG SER 8 HG SER 8 12.698 9.749 8.184 35 H GLY 9 H GLY 9 14.056 7.982 4.609 36 HA2 GLY 9 1HA GLY 9 15.178 5.857 3.886 37 HA3 GLY 9 2HA GLY 9 13.591 5.119 4.042 38 H GLU 10 H GLU 10 14.241 4.542 1.748 39 HA GLU 10 HA GLU 10 12.851 6.348 -0.033 40 HB2 GLU 10 1HB GLU 10 14.679 6.425 -1.687 41 HB3 GLU 10 2HB GLU 10 15.107 7.233 -0.185 42 HG2 GLU 10 1HG GLU 10 16.319 5.173 0.502 43 HG3 GLU 10 2HG GLU 10 16.000 4.511 -1.101 44 H LYS 11 H LYS 11 11.636 5.202 -1.385 45 HA LYS 11 HA LYS 11 12.503 2.500 -2.145 46 HB2 LYS 11 1HB LYS 11 9.794 3.289 -1.070 47 HB3 LYS 11 2HB LYS 11 10.090 1.779 -1.922 48 HG2 LYS 11 1HG LYS 11 11.555 1.008 -0.220 49 HG3 LYS 11 2HG LYS 11 11.581 2.592 0.560 50 HD2 LYS 11 1HD LYS 11 8.950 1.256 0.207 51 HD3 LYS 11 2HD LYS 11 10.042 0.617 1.438 52 HE2 LYS 11 1HE LYS 11 10.253 3.017 2.262 53 HE3 LYS 11 2HE LYS 11 8.872 3.379 1.227 54 HZ1 LYS 11 3HZ LYS 11 8.965 1.541 3.549 55 HZ2 LYS 11 1HZ LYS 11 7.684 1.552 2.443 56 HZ3 LYS 11 2HZ LYS 11 8.020 2.931 3.362 57 HA PRO 12 HA PRO 12 11.541 4.382 -6.092 58 HB2 PRO 12 1HB PRO 12 12.484 2.319 -7.583 59 HB3 PRO 12 2HB PRO 12 13.539 3.522 -6.832 60 HG2 PRO 12 1HG PRO 12 12.846 0.763 -5.899 61 HG3 PRO 12 2HG PRO 12 14.421 1.577 -5.911 62 HD2 PRO 12 1HD PRO 12 12.907 1.367 -3.676 63 HD3 PRO 12 2HD PRO 12 13.967 2.758 -3.984 64 H PHE 13 H PHE 13 10.318 1.526 -4.667 65 HA PHE 13 HA PHE 13 8.369 1.167 -6.839 66 HB2 PHE 13 1HB PHE 13 9.018 -0.708 -4.555 67 HB3 PHE 13 2HB PHE 13 7.939 -1.045 -5.905 68 HD1 PHE 13 HD1 PHE 13 11.423 -0.689 -4.851 69 HD2 PHE 13 HD2 PHE 13 8.807 -1.571 -8.091 70 HE1 PHE 13 HE1 PHE 13 13.319 -1.593 -6.132 71 HE2 PHE 13 HE2 PHE 13 10.699 -2.477 -9.377 72 HZ PHE 13 HZ PHE 13 12.958 -2.489 -8.397 73 H LYS 14 H LYS 14 6.283 1.641 -6.534 74 HA LYS 14 HA LYS 14 5.264 1.950 -3.805 75 HB2 LYS 14 1HB LYS 14 5.871 4.193 -4.422 76 HB3 LYS 14 2HB LYS 14 5.090 4.028 -5.989 77 HG2 LYS 14 1HG LYS 14 2.941 3.629 -4.597 78 HG3 LYS 14 2HG LYS 14 3.859 4.386 -3.293 79 HD2 LYS 14 1HD LYS 14 4.305 6.303 -4.856 80 HD3 LYS 14 2HD LYS 14 3.155 5.567 -5.975 81 HE2 LYS 14 1HE LYS 14 1.358 5.864 -4.483 82 HE3 LYS 14 2HE LYS 14 2.434 6.192 -3.126 83 HZ1 LYS 14 3HZ LYS 14 1.581 7.961 -5.293 84 HZ2 LYS 14 1HZ LYS 14 3.145 8.171 -4.681 85 HZ3 LYS 14 2HZ LYS 14 1.809 8.297 -3.651 86 H CYS 15 H CYS 15 3.289 1.108 -3.536 87 HA CYS 15 HA CYS 15 2.013 -0.207 -5.745 88 HB2 CYS 15 1HB CYS 15 2.086 -1.180 -3.462 89 HB3 CYS 15 2HB CYS 15 1.046 0.123 -2.898 90 H GLU 16 H GLU 16 0.737 0.802 -7.137 91 HA GLU 16 HA GLU 16 -0.387 3.367 -6.641 92 HB2 GLU 16 1HB GLU 16 -1.055 1.412 -8.848 93 HB3 GLU 16 2HB GLU 16 -1.421 3.132 -8.836 94 HG2 GLU 16 1HG GLU 16 0.894 3.698 -8.964 95 HG3 GLU 16 2HG GLU 16 1.369 2.015 -8.738 96 H GLU 17 H GLU 17 -1.500 0.120 -6.205 97 HA GLU 17 HA GLU 17 -4.257 0.439 -6.284 98 HB2 GLU 17 1HB GLU 17 -2.746 -1.307 -4.336 99 HB3 GLU 17 2HB GLU 17 -4.398 -1.532 -4.892 100 HG2 GLU 17 1HG GLU 17 -3.272 -1.647 -7.248 101 HG3 GLU 17 2HG GLU 17 -1.833 -2.047 -6.311 102 H CYS 18 H CYS 18 -2.081 0.781 -3.486 103 HA CYS 18 HA CYS 18 -4.184 2.370 -2.168 104 HB2 CYS 18 1HB CYS 18 -3.220 1.606 -0.007 105 HB3 CYS 18 2HB CYS 18 -3.883 0.289 -0.971 106 H GLY 19 H GLY 19 -0.722 1.957 -2.712 107 HA2 GLY 19 1HA GLY 19 0.442 4.095 -3.256 108 HA3 GLY 19 2HA GLY 19 -0.340 4.751 -1.825 109 H LYS 20 H LYS 20 0.698 1.505 -1.571 110 HA LYS 20 HA LYS 20 2.463 2.074 0.559 111 HB2 LYS 20 1HB LYS 20 1.659 -0.342 -0.968 112 HB3 LYS 20 2HB LYS 20 3.180 -0.432 -0.090 113 HG2 LYS 20 1HG LYS 20 1.695 0.536 1.869 114 HG3 LYS 20 2HG LYS 20 0.403 -0.218 0.933 115 HD2 LYS 20 1HD LYS 20 1.648 -2.345 0.975 116 HD3 LYS 20 2HD LYS 20 2.893 -1.579 1.964 117 HE2 LYS 20 1HE LYS 20 -0.013 -1.865 2.725 118 HE3 LYS 20 2HE LYS 20 1.296 -2.896 3.301 119 HZ1 LYS 20 3HZ LYS 20 0.491 -0.323 4.221 120 HZ2 LYS 20 1HZ LYS 20 2.134 -0.341 3.820 121 HZ3 LYS 20 2HZ LYS 20 1.526 -1.446 4.947 122 H ARG 21 H ARG 21 4.739 0.801 0.400 123 HA ARG 21 HA ARG 21 6.114 1.475 -2.080 124 HB2 ARG 21 1HB ARG 21 6.900 2.622 0.605 125 HB3 ARG 21 2HB ARG 21 7.886 2.709 -0.849 126 HG2 ARG 21 1HG ARG 21 5.781 3.836 -1.882 127 HG3 ARG 21 2HG ARG 21 5.347 4.127 -0.196 128 HD2 ARG 21 1HD ARG 21 7.901 4.977 -1.558 129 HD3 ARG 21 2HD ARG 21 6.554 6.028 -1.122 130 HE ARG 21 HE ARG 21 8.645 5.150 0.586 131 HH11 ARG 21 1HH1 ARG 21 5.250 5.917 0.532 132 HH12 ARG 21 2HH1 ARG 21 5.188 6.354 2.207 133 HH21 ARG 21 1HH2 ARG 21 8.577 5.722 2.793 134 HH22 ARG 21 2HH2 ARG 21 7.082 6.244 3.492 135 H PHE 22 H PHE 22 8.186 0.481 -2.287 136 HA PHE 22 HA PHE 22 9.032 -1.384 -0.232 137 HB2 PHE 22 1HB PHE 22 8.426 -2.437 -2.995 138 HB3 PHE 22 2HB PHE 22 8.873 -3.359 -1.563 139 HD1 PHE 22 HD2 PHE 22 6.188 -1.350 -3.104 140 HD2 PHE 22 HD1 PHE 22 7.249 -4.081 -0.017 141 HE1 PHE 22 HE2 PHE 22 3.807 -1.671 -2.575 142 HE2 PHE 22 HE1 PHE 22 4.869 -4.407 0.517 143 HZ PHE 22 HZ PHE 22 3.145 -3.200 -0.761 144 H THR 23 H THR 23 11.149 -2.222 -0.576 145 HA THR 23 HA THR 23 12.838 -0.407 -2.043 146 HB THR 23 HB THR 23 13.510 -1.240 0.180 147 HG1 THR 23 HG1 THR 23 15.443 -0.885 -0.583 148 HG21 THR 23 3HG2 THR 23 12.859 -3.769 -0.977 149 HG22 THR 23 1HG2 THR 23 13.300 -3.398 0.690 150 HG23 THR 23 2HG2 THR 23 14.554 -3.784 -0.489 151 H GLN 24 H GLN 24 11.220 -3.248 -2.794 152 HA GLN 24 HA GLN 24 12.782 -3.544 -5.236 153 HB2 GLN 24 1HB GLN 24 12.592 -5.567 -3.082 154 HB3 GLN 24 2HB GLN 24 12.385 -6.161 -4.724 155 HG2 GLN 24 1HG GLN 24 14.754 -4.658 -3.637 156 HG3 GLN 24 2HG GLN 24 14.687 -6.367 -4.065 157 HE21 GLN 24 1HE2 GLN 24 13.223 -6.116 -6.451 158 HE22 GLN 24 2HE2 GLN 24 14.234 -5.353 -7.625 159 H ASN 25 H ASN 25 11.670 -4.873 -6.864 160 HA ASN 25 HA ASN 25 8.925 -4.177 -7.036 161 HB2 ASN 25 1HB ASN 25 8.943 -5.304 -9.168 162 HB3 ASN 25 2HB ASN 25 10.459 -4.424 -8.996 163 HD21 ASN 25 1HD2 ASN 25 12.369 -5.579 -8.606 164 HD22 ASN 25 2HD2 ASN 25 12.493 -7.264 -8.967 165 H SER 26 H SER 26 10.572 -7.314 -6.682 166 HA SER 26 HA SER 26 8.491 -9.051 -6.653 167 HB2 SER 26 1HB SER 26 10.921 -9.003 -4.858 168 HB3 SER 26 2HB SER 26 9.800 -10.364 -4.918 169 HG SER 26 HG SER 26 10.285 -10.051 -7.363 170 H GLN 27 H GLN 27 9.414 -6.857 -4.057 171 HA GLN 27 HA GLN 27 7.609 -7.876 -2.122 172 HB2 GLN 27 1HB GLN 27 8.975 -5.198 -2.391 173 HB3 GLN 27 2HB GLN 27 7.984 -5.643 -1.009 174 HG2 GLN 27 1HG GLN 27 9.521 -7.619 -0.700 175 HG3 GLN 27 2HG GLN 27 10.578 -6.865 -1.893 176 HE21 GLN 27 1HE2 GLN 27 10.735 -4.343 -1.343 177 HE22 GLN 27 2HE2 GLN 27 11.253 -4.035 0.276 178 H LEU 28 H LEU 28 7.452 -4.967 -4.180 179 HA LEU 28 HA LEU 28 4.883 -4.165 -3.445 180 HB2 LEU 28 1HB LEU 28 6.240 -2.637 -4.624 181 HB3 LEU 28 2HB LEU 28 6.485 -3.767 -5.954 182 HG LEU 28 HG LEU 28 4.227 -3.439 -6.718 183 HD11 LEU 28 1HD1 LEU 28 3.410 -3.082 -4.280 184 HD12 LEU 28 2HD1 LEU 28 2.577 -2.272 -5.606 185 HD13 LEU 28 3HD1 LEU 28 3.728 -1.379 -4.613 186 HD21 LEU 28 3HD2 LEU 28 5.427 -1.820 -7.765 187 HD22 LEU 28 1HD2 LEU 28 5.981 -1.096 -6.255 188 HD23 LEU 28 2HD2 LEU 28 4.345 -0.782 -6.835 189 H HIS 29 H HIS 29 5.866 -6.007 -6.338 190 HA HIS 29 HA HIS 29 3.288 -6.531 -7.283 191 HB2 HIS 29 1HB HIS 29 5.977 -7.744 -7.708 192 HB3 HIS 29 2HB HIS 29 4.571 -8.652 -8.256 193 HD1 HIS 29 HD1 HIS 29 5.453 -8.277 -10.710 194 HD2 HIS 29 HD2 HIS 29 4.319 -4.826 -8.695 195 HE1 HIS 29 HE1 HIS 29 5.239 -6.505 -12.481 196 H SER 30 H SER 30 5.137 -8.018 -4.749 197 HA SER 30 HA SER 30 3.474 -10.370 -4.586 198 HB2 SER 30 1HB SER 30 5.740 -10.677 -3.920 199 HB3 SER 30 2HB SER 30 5.689 -9.278 -2.848 200 HG SER 30 HG SER 30 4.177 -10.445 -1.562 201 H HIS 31 H HIS 31 3.398 -7.171 -3.374 202 HA HIS 31 HA HIS 31 1.633 -7.833 -1.155 203 HB2 HIS 31 1HB HIS 31 2.958 -6.104 -0.441 204 HB3 HIS 31 2HB HIS 31 3.105 -5.408 -2.052 205 HD1 HIS 31 HD1 HIS 31 0.843 -5.454 0.943 206 HD2 HIS 31 HD2 HIS 31 1.214 -3.478 -2.693 207 HE1 HIS 31 HE1 HIS 31 -0.783 -3.539 1.050 208 H GLN 32 H GLN 32 1.526 -6.107 -4.246 209 HA GLN 32 HA GLN 32 -1.006 -5.064 -4.201 210 HB2 GLN 32 1HB GLN 32 0.680 -6.196 -6.397 211 HB3 GLN 32 2HB GLN 32 -0.974 -5.714 -6.747 212 HG2 GLN 32 1HG GLN 32 -0.440 -3.463 -5.833 213 HG3 GLN 32 2HG GLN 32 1.240 -3.975 -5.691 214 HE21 GLN 32 1HE2 GLN 32 2.431 -3.199 -7.264 215 HE22 GLN 32 2HE2 GLN 32 1.951 -3.002 -8.912 216 H ARG 33 H ARG 33 -0.108 -8.372 -4.195 217 HA ARG 33 HA ARG 33 -2.318 -9.582 -5.389 218 HB2 ARG 33 1HB ARG 33 -0.955 -10.721 -2.961 219 HB3 ARG 33 2HB ARG 33 -1.650 -11.578 -4.331 220 HG2 ARG 33 1HG ARG 33 0.159 -10.511 -5.743 221 HG3 ARG 33 2HG ARG 33 0.911 -10.016 -4.225 222 HD2 ARG 33 1HD ARG 33 0.152 -12.871 -4.762 223 HD3 ARG 33 2HD ARG 33 1.697 -12.207 -5.292 224 HE ARG 33 HE ARG 33 1.657 -11.557 -2.685 225 HH11 ARG 33 1HH1 ARG 33 1.061 -14.547 -4.367 226 HH12 ARG 33 2HH1 ARG 33 1.625 -15.542 -3.066 227 HH21 ARG 33 1HH2 ARG 33 2.402 -12.857 -0.965 228 HH22 ARG 33 2HH2 ARG 33 2.387 -14.580 -1.131 229 H VAL 34 H VAL 34 -1.917 -8.187 -2.204 230 HA VAL 34 HA VAL 34 -4.140 -9.288 -0.917 231 HB VAL 34 HB VAL 34 -3.988 -7.514 0.666 232 HG11 VAL 34 1HG1 VAL 34 -2.159 -8.704 1.221 233 HG12 VAL 34 2HG1 VAL 34 -1.509 -8.670 -0.419 234 HG13 VAL 34 3HG1 VAL 34 -1.295 -7.279 0.646 235 HG21 VAL 34 3HG2 VAL 34 -2.874 -5.434 0.295 236 HG22 VAL 34 1HG2 VAL 34 -2.260 -5.978 -1.266 237 HG23 VAL 34 2HG2 VAL 34 -3.986 -5.689 -1.050 238 H HIS 35 H HIS 35 -3.873 -6.640 -3.192 239 HA HIS 35 HA HIS 35 -6.523 -5.644 -2.774 240 HB2 HIS 35 1HB HIS 35 -4.481 -5.207 -4.953 241 HB3 HIS 35 2HB HIS 35 -6.068 -4.443 -4.972 242 HD1 HIS 35 HD1 HIS 35 -6.543 -2.680 -3.074 243 HD2 HIS 35 HD2 HIS 35 -2.623 -4.043 -3.276 244 HE1 HIS 35 HE1 HIS 35 -5.196 -1.059 -1.702 245 H THR 36 H THR 36 -5.188 -8.270 -4.502 246 HA THR 36 HA THR 36 -7.520 -8.496 -6.258 247 HB THR 36 HB THR 36 -6.313 -10.277 -7.399 248 HG1 THR 36 HG1 THR 36 -4.296 -9.831 -5.431 249 HG21 THR 36 3HG2 THR 36 -5.830 -8.078 -8.203 250 HG22 THR 36 1HG2 THR 36 -4.307 -8.964 -8.148 251 HG23 THR 36 2HG2 THR 36 -4.688 -7.787 -6.892 252 H GLY 37 H GLY 37 -7.944 -8.870 -3.480 253 HA2 GLY 37 1HA GLY 37 -9.062 -11.550 -3.560 254 HA3 GLY 37 2HA GLY 37 -7.856 -11.279 -2.311 255 H GLU 38 H GLU 38 -8.422 -8.751 -1.458 256 HA GLU 38 HA GLU 38 -11.256 -8.777 -0.705 257 HB2 GLU 38 1HB GLU 38 -9.798 -9.898 1.053 258 HB3 GLU 38 2HB GLU 38 -9.070 -8.321 1.321 259 HG2 GLU 38 1HG GLU 38 -11.121 -7.404 2.076 260 HG3 GLU 38 2HG GLU 38 -12.022 -8.825 1.550 261 H LYS 39 H LYS 39 -12.175 -6.824 -0.763 262 HA LYS 39 HA LYS 39 -10.508 -4.534 -1.421 263 HB2 LYS 39 1HB LYS 39 -12.736 -5.222 -2.567 264 HB3 LYS 39 2HB LYS 39 -13.501 -4.465 -1.176 265 HG2 LYS 39 1HG LYS 39 -12.465 -2.353 -1.697 266 HG3 LYS 39 2HG LYS 39 -11.556 -3.091 -3.019 267 HD2 LYS 39 1HD LYS 39 -13.352 -2.061 -4.094 268 HD3 LYS 39 2HD LYS 39 -13.863 -3.745 -3.957 269 HE2 LYS 39 1HE LYS 39 -15.110 -3.139 -1.896 270 HE3 LYS 39 2HE LYS 39 -14.683 -1.452 -2.178 271 HZ1 LYS 39 3HZ LYS 39 -16.073 -1.303 -3.970 272 HZ2 LYS 39 1HZ LYS 39 -16.938 -2.405 -3.022 273 HZ3 LYS 39 2HZ LYS 39 -16.007 -2.956 -4.322 274 HA PRO 40 HA PRO 40 -10.528 -2.861 2.658 275 HB2 PRO 40 1HB PRO 40 -9.938 -0.285 2.034 276 HB3 PRO 40 2HB PRO 40 -8.743 -1.586 1.974 277 HG2 PRO 40 1HG PRO 40 -10.310 -0.351 -0.257 278 HG3 PRO 40 2HG PRO 40 -8.596 -0.801 -0.209 279 HD2 PRO 40 1HD PRO 40 -10.473 -2.341 -1.407 280 HD3 PRO 40 2HD PRO 40 -9.039 -3.026 -0.617 281 H SER 41 H SER 41 -11.576 -1.150 3.942 282 HA SER 41 HA SER 41 -14.334 -0.827 3.118 283 HB2 SER 41 1HB SER 41 -13.738 -1.527 5.433 284 HB3 SER 41 2HB SER 41 -12.993 0.051 5.686 285 HG SER 41 HG SER 41 -14.900 0.791 6.111 286 H GLY 42 H GLY 42 -15.440 1.284 3.449 287 HA2 GLY 42 1HA GLY 42 -14.244 3.751 3.661 288 HA3 GLY 42 2HA GLY 42 -14.084 3.319 1.966 289 HA PRO 43 HA PRO 43 -18.105 5.515 2.381 290 HB2 PRO 43 1HB PRO 43 -17.869 6.839 0.023 291 HB3 PRO 43 2HB PRO 43 -17.165 7.432 1.532 292 HG2 PRO 43 1HG PRO 43 -15.855 5.951 -0.716 293 HG3 PRO 43 2HG PRO 43 -15.259 7.346 0.202 294 HD2 PRO 43 1HD PRO 43 -14.434 4.815 0.698 295 HD3 PRO 43 2HD PRO 43 -14.566 6.044 1.973 296 H SER 44 H SER 44 -19.808 5.764 0.504 297 HA SER 44 HA SER 44 -20.399 3.115 -0.385 298 HB2 SER 44 1HB SER 44 -21.752 5.784 -0.741 299 HB3 SER 44 2HB SER 44 -22.350 4.333 -1.544 300 HG SER 44 HG SER 44 -23.407 4.224 0.310 301 H SER 45 H SER 45 -20.117 2.197 -2.331 302 HA SER 45 HA SER 45 -18.453 3.547 -4.255 303 HB2 SER 45 1HB SER 45 -18.375 1.422 -5.410 304 HB3 SER 45 2HB SER 45 -18.189 1.126 -3.681 305 HG SER 45 HG SER 45 -20.652 0.931 -5.076 306 H GLY 46 H GLY 46 -21.825 2.686 -3.940 307 HA2 GLY 46 1HA GLY 46 -22.836 4.553 -5.670 308 HA3 GLY 46 2HA GLY 46 -22.494 3.162 -6.688 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -7.514 15.067 15.051 2 HA2 GLY 1 1HA GLY 1 -7.330 13.698 17.591 3 HA3 GLY 1 2HA GLY 1 -7.305 12.956 15.998 4 H SER 2 H SER 2 -5.450 12.068 15.405 5 HA SER 2 HA SER 2 -2.924 13.287 16.168 6 HB2 SER 2 1HB SER 2 -2.038 11.114 17.038 7 HB3 SER 2 2HB SER 2 -3.297 11.817 18.053 8 HG SER 2 HG SER 2 -4.353 10.036 17.779 9 H SER 3 H SER 3 -1.107 12.441 14.984 10 HA SER 3 HA SER 3 -1.720 10.678 12.739 11 HB2 SER 3 1HB SER 3 -0.476 13.409 12.337 12 HB3 SER 3 2HB SER 3 -0.822 12.217 11.084 13 HG SER 3 HG SER 3 -2.399 14.104 11.814 14 H GLY 4 H GLY 4 0.267 10.050 11.534 15 HA2 GLY 4 1HA GLY 4 2.598 10.039 13.352 16 HA3 GLY 4 2HA GLY 4 2.134 8.660 12.367 17 H SER 5 H SER 5 4.240 8.636 11.457 18 HA SER 5 HA SER 5 4.974 10.918 9.784 19 HB2 SER 5 1HB SER 5 7.145 9.849 9.564 20 HB3 SER 5 2HB SER 5 6.689 9.887 11.267 21 HG SER 5 HG SER 5 6.906 7.722 9.522 22 H SER 6 H SER 6 5.624 10.590 7.564 23 HA SER 6 HA SER 6 3.739 9.034 6.113 24 HB2 SER 6 1HB SER 6 4.973 9.830 4.110 25 HB3 SER 6 2HB SER 6 4.561 11.143 5.214 26 HG SER 6 HG SER 6 6.999 10.273 4.399 27 H GLY 7 H GLY 7 7.244 8.748 6.630 28 HA2 GLY 7 1HA GLY 7 7.399 6.023 6.826 29 HA3 GLY 7 2HA GLY 7 7.454 6.332 5.097 30 H SER 8 H SER 8 9.525 5.153 6.688 31 HA SER 8 HA SER 8 11.593 7.245 6.629 32 HB2 SER 8 1HB SER 8 11.667 4.543 7.994 33 HB3 SER 8 2HB SER 8 12.907 5.793 8.095 34 HG SER 8 HG SER 8 10.318 6.542 8.770 35 H GLY 9 H GLY 9 13.263 7.121 5.241 36 HA2 GLY 9 1HA GLY 9 14.818 6.093 3.820 37 HA3 GLY 9 2HA GLY 9 13.900 4.599 3.932 38 H GLU 10 H GLU 10 14.731 5.130 1.505 39 HA GLU 10 HA GLU 10 12.445 6.375 0.123 40 HB2 GLU 10 1HB GLU 10 15.367 6.316 -0.476 41 HB3 GLU 10 2HB GLU 10 14.242 6.347 -1.827 42 HG2 GLU 10 1HG GLU 10 14.697 8.581 -1.483 43 HG3 GLU 10 2HG GLU 10 13.181 8.354 -0.614 44 H LYS 11 H LYS 11 11.469 5.299 -1.569 45 HA LYS 11 HA LYS 11 12.439 2.621 -2.246 46 HB2 LYS 11 1HB LYS 11 9.714 3.280 -1.142 47 HB3 LYS 11 2HB LYS 11 10.012 1.827 -2.087 48 HG2 LYS 11 1HG LYS 11 11.463 0.941 -0.463 49 HG3 LYS 11 2HG LYS 11 11.598 2.490 0.374 50 HD2 LYS 11 1HD LYS 11 8.915 1.211 0.102 51 HD3 LYS 11 2HD LYS 11 10.045 0.589 1.307 52 HE2 LYS 11 1HE LYS 11 9.473 3.522 1.125 53 HE3 LYS 11 2HE LYS 11 8.365 2.447 1.976 54 HZ1 LYS 11 3HZ LYS 11 11.225 2.313 2.613 55 HZ2 LYS 11 1HZ LYS 11 9.887 2.013 3.603 56 HZ3 LYS 11 2HZ LYS 11 10.321 3.603 3.227 57 HA PRO 12 HA PRO 12 11.452 4.341 -6.238 58 HB2 PRO 12 1HB PRO 12 12.290 2.194 -7.673 59 HB3 PRO 12 2HB PRO 12 13.403 3.372 -6.968 60 HG2 PRO 12 1HG PRO 12 12.601 0.676 -5.945 61 HG3 PRO 12 2HG PRO 12 14.210 1.420 -5.996 62 HD2 PRO 12 1HD PRO 12 12.710 1.344 -3.742 63 HD3 PRO 12 2HD PRO 12 13.826 2.677 -4.102 64 H PHE 13 H PHE 13 10.309 1.326 -4.914 65 HA PHE 13 HA PHE 13 8.242 1.116 -6.978 66 HB2 PHE 13 1HB PHE 13 8.869 -0.812 -4.734 67 HB3 PHE 13 2HB PHE 13 7.809 -1.105 -6.109 68 HD1 PHE 13 HD2 PHE 13 8.718 -1.545 -8.310 69 HD2 PHE 13 HD1 PHE 13 11.267 -0.868 -4.970 70 HE1 PHE 13 HE2 PHE 13 10.620 -2.448 -9.583 71 HE2 PHE 13 HE1 PHE 13 13.174 -1.769 -6.238 72 HZ PHE 13 HZ PHE 13 12.851 -2.562 -8.547 73 H LYS 14 H LYS 14 6.157 1.577 -6.607 74 HA LYS 14 HA LYS 14 5.237 1.910 -3.844 75 HB2 LYS 14 1HB LYS 14 5.834 4.144 -4.557 76 HB3 LYS 14 2HB LYS 14 4.926 3.951 -6.051 77 HG2 LYS 14 1HG LYS 14 2.895 3.591 -4.499 78 HG3 LYS 14 2HG LYS 14 3.914 4.335 -3.264 79 HD2 LYS 14 1HD LYS 14 4.259 6.256 -4.840 80 HD3 LYS 14 2HD LYS 14 3.038 5.532 -5.889 81 HE2 LYS 14 1HE LYS 14 1.399 5.676 -4.082 82 HE3 LYS 14 2HE LYS 14 2.621 6.377 -3.022 83 HZ1 LYS 14 3HZ LYS 14 1.950 7.652 -5.596 84 HZ2 LYS 14 1HZ LYS 14 2.647 8.343 -4.219 85 HZ3 LYS 14 2HZ LYS 14 1.005 7.937 -4.222 86 H CYS 15 H CYS 15 3.307 1.011 -3.494 87 HA CYS 15 HA CYS 15 1.951 -0.338 -5.619 88 HB2 CYS 15 1HB CYS 15 2.105 -1.208 -3.282 89 HB3 CYS 15 2HB CYS 15 1.026 0.086 -2.771 90 H GLU 16 H GLU 16 0.883 0.864 -7.070 91 HA GLU 16 HA GLU 16 -0.338 3.348 -6.542 92 HB2 GLU 16 1HB GLU 16 -0.912 1.412 -8.793 93 HB3 GLU 16 2HB GLU 16 -1.350 3.115 -8.761 94 HG2 GLU 16 1HG GLU 16 1.101 3.632 -8.572 95 HG3 GLU 16 2HG GLU 16 1.405 1.927 -8.896 96 H GLU 17 H GLU 17 -1.409 0.101 -6.108 97 HA GLU 17 HA GLU 17 -4.175 0.385 -6.263 98 HB2 GLU 17 1HB GLU 17 -2.703 -1.353 -4.280 99 HB3 GLU 17 2HB GLU 17 -4.326 -1.601 -4.910 100 HG2 GLU 17 1HG GLU 17 -3.060 -1.655 -7.215 101 HG3 GLU 17 2HG GLU 17 -1.694 -2.097 -6.192 102 H CYS 18 H CYS 18 -2.052 0.748 -3.427 103 HA CYS 18 HA CYS 18 -4.199 2.307 -2.142 104 HB2 CYS 18 1HB CYS 18 -3.338 1.524 0.030 105 HB3 CYS 18 2HB CYS 18 -3.874 0.185 -0.980 106 H GLY 19 H GLY 19 -0.720 1.913 -2.601 107 HA2 GLY 19 1HA GLY 19 0.401 4.104 -3.112 108 HA3 GLY 19 2HA GLY 19 -0.361 4.684 -1.639 109 H LYS 20 H LYS 20 0.654 1.450 -1.464 110 HA LYS 20 HA LYS 20 2.486 1.957 0.617 111 HB2 LYS 20 1HB LYS 20 1.621 -0.417 -0.938 112 HB3 LYS 20 2HB LYS 20 3.166 -0.540 -0.108 113 HG2 LYS 20 1HG LYS 20 1.721 0.416 1.904 114 HG3 LYS 20 2HG LYS 20 0.425 -0.363 0.994 115 HD2 LYS 20 1HD LYS 20 1.663 -2.468 1.021 116 HD3 LYS 20 2HD LYS 20 2.979 -1.691 1.905 117 HE2 LYS 20 1HE LYS 20 0.145 -1.857 2.915 118 HE3 LYS 20 2HE LYS 20 1.395 -3.034 3.314 119 HZ1 LYS 20 3HZ LYS 20 1.692 -1.650 5.050 120 HZ2 LYS 20 1HZ LYS 20 1.051 -0.303 4.251 121 HZ3 LYS 20 2HZ LYS 20 2.644 -0.787 3.950 122 H ARG 21 H ARG 21 4.749 0.678 0.378 123 HA ARG 21 HA ARG 21 6.068 1.375 -2.123 124 HB2 ARG 21 1HB ARG 21 6.940 2.496 0.547 125 HB3 ARG 21 2HB ARG 21 7.858 2.618 -0.949 126 HG2 ARG 21 1HG ARG 21 5.686 3.736 -1.859 127 HG3 ARG 21 2HG ARG 21 5.346 4.006 -0.149 128 HD2 ARG 21 1HD ARG 21 7.935 4.795 -1.468 129 HD3 ARG 21 2HD ARG 21 6.548 5.876 -1.337 130 HE ARG 21 HE ARG 21 8.356 5.100 0.770 131 HH11 ARG 21 1HH1 ARG 21 5.209 6.367 -0.014 132 HH12 ARG 21 2HH1 ARG 21 4.996 7.145 1.519 133 HH21 ARG 21 1HH2 ARG 21 8.088 6.120 2.792 134 HH22 ARG 21 2HH2 ARG 21 6.635 7.005 3.115 135 H PHE 22 H PHE 22 8.264 0.506 -2.258 136 HA PHE 22 HA PHE 22 9.125 -1.393 -0.274 137 HB2 PHE 22 1HB PHE 22 8.449 -2.486 -3.004 138 HB3 PHE 22 2HB PHE 22 8.925 -3.384 -1.567 139 HD1 PHE 22 HD2 PHE 22 6.218 -1.294 -2.991 140 HD2 PHE 22 HD1 PHE 22 7.323 -4.187 -0.070 141 HE1 PHE 22 HE2 PHE 22 3.848 -1.606 -2.407 142 HE2 PHE 22 HE1 PHE 22 4.955 -4.503 0.517 143 HZ PHE 22 HZ PHE 22 3.214 -3.211 -0.651 144 H THR 23 H THR 23 11.237 -2.206 -0.665 145 HA THR 23 HA THR 23 12.875 -0.396 -2.182 146 HB THR 23 HB THR 23 13.575 -1.330 0.026 147 HG1 THR 23 HG1 THR 23 15.110 -1.424 -2.308 148 HG21 THR 23 3HG2 THR 23 14.347 -3.849 -1.393 149 HG22 THR 23 1HG2 THR 23 12.738 -3.692 -0.690 150 HG23 THR 23 2HG2 THR 23 14.166 -3.550 0.335 151 H GLN 24 H GLN 24 11.323 -3.352 -2.819 152 HA GLN 24 HA GLN 24 12.759 -3.567 -5.360 153 HB2 GLN 24 1HB GLN 24 12.651 -5.610 -3.218 154 HB3 GLN 24 2HB GLN 24 12.388 -6.191 -4.857 155 HG2 GLN 24 1HG GLN 24 14.812 -4.882 -3.692 156 HG3 GLN 24 2HG GLN 24 14.674 -6.432 -4.521 157 HE21 GLN 24 1HE2 GLN 24 13.178 -5.605 -6.730 158 HE22 GLN 24 2HE2 GLN 24 14.168 -4.587 -7.713 159 H ASN 25 H ASN 25 11.583 -4.701 -7.013 160 HA ASN 25 HA ASN 25 8.811 -4.109 -6.993 161 HB2 ASN 25 1HB ASN 25 9.019 -5.722 -9.133 162 HB3 ASN 25 2HB ASN 25 9.550 -4.043 -9.150 163 HD21 ASN 25 1HD2 ASN 25 10.770 -7.255 -8.265 164 HD22 ASN 25 2HD2 ASN 25 12.350 -7.022 -8.924 165 H SER 26 H SER 26 10.667 -7.053 -6.494 166 HA SER 26 HA SER 26 8.647 -8.949 -6.676 167 HB2 SER 26 1HB SER 26 11.127 -8.853 -4.955 168 HB3 SER 26 2HB SER 26 10.067 -10.261 -5.015 169 HG SER 26 HG SER 26 10.426 -10.227 -7.336 170 H GLN 27 H GLN 27 9.445 -6.745 -4.071 171 HA GLN 27 HA GLN 27 7.727 -7.975 -2.141 172 HB2 GLN 27 1HB GLN 27 9.038 -5.257 -2.242 173 HB3 GLN 27 2HB GLN 27 8.089 -5.831 -0.877 174 HG2 GLN 27 1HG GLN 27 9.678 -7.778 -0.738 175 HG3 GLN 27 2HG GLN 27 10.686 -6.929 -1.909 176 HE21 GLN 27 1HE2 GLN 27 10.533 -4.359 -1.107 177 HE22 GLN 27 2HE2 GLN 27 11.200 -4.177 0.476 178 H LEU 28 H LEU 28 7.499 -5.021 -4.114 179 HA LEU 28 HA LEU 28 4.951 -4.235 -3.272 180 HB2 LEU 28 1HB LEU 28 6.239 -2.660 -4.446 181 HB3 LEU 28 2HB LEU 28 6.505 -3.762 -5.795 182 HG LEU 28 HG LEU 28 4.183 -3.501 -6.486 183 HD11 LEU 28 1HD1 LEU 28 3.530 -2.964 -3.995 184 HD12 LEU 28 2HD1 LEU 28 2.586 -2.332 -5.343 185 HD13 LEU 28 3HD1 LEU 28 3.762 -1.300 -4.530 186 HD21 LEU 28 3HD2 LEU 28 4.277 -1.101 -7.114 187 HD22 LEU 28 1HD2 LEU 28 5.773 -1.976 -7.442 188 HD23 LEU 28 2HD2 LEU 28 5.663 -0.913 -6.038 189 H HIS 29 H HIS 29 5.852 -5.985 -6.249 190 HA HIS 29 HA HIS 29 3.283 -6.490 -7.175 191 HB2 HIS 29 1HB HIS 29 5.916 -7.872 -7.543 192 HB3 HIS 29 2HB HIS 29 4.454 -8.599 -8.200 193 HD1 HIS 29 HD1 HIS 29 6.763 -7.550 -10.003 194 HD2 HIS 29 HD2 HIS 29 3.338 -5.406 -9.035 195 HE1 HIS 29 HE1 HIS 29 6.496 -5.846 -11.834 196 H SER 30 H SER 30 5.094 -8.035 -4.640 197 HA SER 30 HA SER 30 3.405 -10.353 -4.475 198 HB2 SER 30 1HB SER 30 5.759 -10.434 -3.750 199 HB3 SER 30 2HB SER 30 5.408 -9.259 -2.483 200 HG SER 30 HG SER 30 4.196 -10.747 -1.426 201 H HIS 31 H HIS 31 3.419 -7.156 -3.142 202 HA HIS 31 HA HIS 31 1.496 -7.802 -1.067 203 HB2 HIS 31 1HB HIS 31 2.878 -6.135 -0.280 204 HB3 HIS 31 2HB HIS 31 3.043 -5.378 -1.861 205 HD1 HIS 31 HD1 HIS 31 0.791 -5.495 1.132 206 HD2 HIS 31 HD2 HIS 31 1.142 -3.430 -2.456 207 HE1 HIS 31 HE1 HIS 31 -0.827 -3.578 1.299 208 H GLN 32 H GLN 32 1.587 -6.130 -4.174 209 HA GLN 32 HA GLN 32 -0.907 -4.965 -4.223 210 HB2 GLN 32 1HB GLN 32 0.801 -6.177 -6.369 211 HB3 GLN 32 2HB GLN 32 -0.793 -5.548 -6.760 212 HG2 GLN 32 1HG GLN 32 -0.146 -3.360 -5.892 213 HG3 GLN 32 2HG GLN 32 1.453 -3.991 -5.498 214 HE21 GLN 32 1HE2 GLN 32 1.689 -1.940 -6.970 215 HE22 GLN 32 2HE2 GLN 32 1.945 -2.293 -8.642 216 H ARG 33 H ARG 33 -0.094 -8.318 -4.317 217 HA ARG 33 HA ARG 33 -2.364 -9.381 -5.557 218 HB2 ARG 33 1HB ARG 33 -1.039 -10.754 -3.242 219 HB3 ARG 33 2HB ARG 33 -1.703 -11.456 -4.711 220 HG2 ARG 33 1HG ARG 33 0.160 -10.312 -5.962 221 HG3 ARG 33 2HG ARG 33 0.869 -9.939 -4.390 222 HD2 ARG 33 1HD ARG 33 1.757 -12.009 -5.495 223 HD3 ARG 33 2HD ARG 33 1.125 -12.242 -3.866 224 HE ARG 33 HE ARG 33 -0.007 -13.254 -6.343 225 HH11 ARG 33 1HH1 ARG 33 -0.390 -12.727 -2.923 226 HH12 ARG 33 2HH1 ARG 33 -1.641 -13.913 -2.748 227 HH21 ARG 33 1HH2 ARG 33 -1.653 -14.818 -6.125 228 HH22 ARG 33 2HH2 ARG 33 -2.358 -15.102 -4.570 229 H VAL 34 H VAL 34 -1.870 -8.131 -2.340 230 HA VAL 34 HA VAL 34 -4.077 -9.274 -1.042 231 HB VAL 34 HB VAL 34 -3.878 -7.522 0.599 232 HG11 VAL 34 1HG1 VAL 34 -2.169 -8.925 1.099 233 HG12 VAL 34 2HG1 VAL 34 -1.438 -8.784 -0.501 234 HG13 VAL 34 3HG1 VAL 34 -1.206 -7.505 0.691 235 HG21 VAL 34 3HG2 VAL 34 -2.949 -5.988 -1.661 236 HG22 VAL 34 1HG2 VAL 34 -3.530 -5.436 -0.089 237 HG23 VAL 34 2HG2 VAL 34 -1.830 -5.857 -0.304 238 H HIS 35 H HIS 35 -3.867 -6.746 -3.384 239 HA HIS 35 HA HIS 35 -6.485 -5.662 -2.789 240 HB2 HIS 35 1HB HIS 35 -4.439 -5.092 -4.929 241 HB3 HIS 35 2HB HIS 35 -6.036 -4.349 -4.937 242 HD1 HIS 35 HD1 HIS 35 -6.585 -2.774 -2.854 243 HD2 HIS 35 HD2 HIS 35 -2.608 -3.900 -3.275 244 HE1 HIS 35 HE1 HIS 35 -5.279 -1.182 -1.410 245 H THR 36 H THR 36 -5.061 -8.001 -4.926 246 HA THR 36 HA THR 36 -7.335 -8.141 -6.693 247 HB THR 36 HB THR 36 -6.194 -9.918 -7.816 248 HG1 THR 36 HG1 THR 36 -4.147 -10.682 -6.811 249 HG21 THR 36 3HG2 THR 36 -3.899 -8.207 -6.942 250 HG22 THR 36 1HG2 THR 36 -5.242 -7.492 -7.833 251 HG23 THR 36 2HG2 THR 36 -4.302 -8.799 -8.553 252 H GLY 37 H GLY 37 -8.299 -8.425 -4.169 253 HA2 GLY 37 1HA GLY 37 -9.661 -10.915 -4.325 254 HA3 GLY 37 2HA GLY 37 -8.445 -10.961 -3.058 255 H GLU 38 H GLU 38 -8.623 -8.321 -2.144 256 HA GLU 38 HA GLU 38 -10.768 -8.524 -0.338 257 HB2 GLU 38 1HB GLU 38 -10.113 -6.357 0.461 258 HB3 GLU 38 2HB GLU 38 -8.657 -7.259 0.066 259 HG2 GLU 38 1HG GLU 38 -8.181 -5.956 -1.771 260 HG3 GLU 38 2HG GLU 38 -9.854 -5.432 -1.964 261 H LYS 39 H LYS 39 -10.589 -7.285 -3.530 262 HA LYS 39 HA LYS 39 -13.185 -5.933 -3.214 263 HB2 LYS 39 1HB LYS 39 -12.669 -4.708 -5.241 264 HB3 LYS 39 2HB LYS 39 -11.345 -4.535 -4.096 265 HG2 LYS 39 1HG LYS 39 -9.997 -6.086 -5.310 266 HG3 LYS 39 2HG LYS 39 -11.348 -6.514 -6.363 267 HD2 LYS 39 1HD LYS 39 -10.270 -5.027 -7.720 268 HD3 LYS 39 2HD LYS 39 -11.318 -3.909 -6.844 269 HE2 LYS 39 1HE LYS 39 -9.530 -3.318 -5.352 270 HE3 LYS 39 2HE LYS 39 -8.486 -4.560 -6.042 271 HZ1 LYS 39 3HZ LYS 39 -8.751 -1.913 -6.853 272 HZ2 LYS 39 1HZ LYS 39 -9.396 -2.865 -8.095 273 HZ3 LYS 39 2HZ LYS 39 -7.811 -3.126 -7.566 274 HA PRO 40 HA PRO 40 -15.118 -9.178 -5.484 275 HB2 PRO 40 1HB PRO 40 -17.332 -7.838 -6.305 276 HB3 PRO 40 2HB PRO 40 -17.100 -8.378 -4.638 277 HG2 PRO 40 1HG PRO 40 -16.665 -5.666 -5.829 278 HG3 PRO 40 2HG PRO 40 -17.422 -6.103 -4.286 279 HD2 PRO 40 1HD PRO 40 -14.869 -5.218 -4.457 280 HD3 PRO 40 2HD PRO 40 -15.394 -6.385 -3.227 281 H SER 41 H SER 41 -14.628 -6.017 -6.968 282 HA SER 41 HA SER 41 -13.811 -7.240 -9.438 283 HB2 SER 41 1HB SER 41 -16.370 -7.099 -9.530 284 HB3 SER 41 2HB SER 41 -16.156 -5.350 -9.614 285 HG SER 41 HG SER 41 -15.899 -5.678 -11.668 286 H GLY 42 H GLY 42 -13.225 -5.508 -11.085 287 HA2 GLY 42 1HA GLY 42 -12.825 -2.831 -10.168 288 HA3 GLY 42 2HA GLY 42 -11.346 -3.775 -10.066 289 HA PRO 43 HA PRO 43 -12.712 -3.130 -14.708 290 HB2 PRO 43 1HB PRO 43 -13.821 -0.684 -15.102 291 HB3 PRO 43 2HB PRO 43 -14.780 -2.131 -14.773 292 HG2 PRO 43 1HG PRO 43 -13.932 0.046 -12.901 293 HG3 PRO 43 2HG PRO 43 -15.505 -0.761 -13.039 294 HD2 PRO 43 1HD PRO 43 -13.701 -1.404 -11.125 295 HD3 PRO 43 2HD PRO 43 -14.810 -2.597 -11.830 296 H SER 44 H SER 44 -11.093 -2.470 -15.997 297 HA SER 44 HA SER 44 -9.026 -0.803 -14.934 298 HB2 SER 44 1HB SER 44 -8.539 -2.734 -16.397 299 HB3 SER 44 2HB SER 44 -9.350 -1.916 -17.732 300 HG SER 44 HG SER 44 -7.184 -0.744 -16.345 301 H SER 45 H SER 45 -9.301 1.327 -14.801 302 HA SER 45 HA SER 45 -10.493 2.725 -17.106 303 HB2 SER 45 1HB SER 45 -11.255 4.455 -15.557 304 HB3 SER 45 2HB SER 45 -11.864 2.879 -15.050 305 HG SER 45 HG SER 45 -9.689 3.006 -13.772 306 H GLY 46 H GLY 46 -9.631 4.821 -17.624 307 HA2 GLY 46 1HA GLY 46 -7.817 6.449 -16.862 308 HA3 GLY 46 2HA GLY 46 -6.779 5.032 -16.904 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.783 14.014 18.382 2 HA2 GLY 1 1HA GLY 1 3.779 13.279 16.370 3 HA3 GLY 1 2HA GLY 1 4.645 14.794 16.162 4 H SER 2 H SER 2 6.415 14.725 14.956 5 HA SER 2 HA SER 2 7.510 12.126 14.221 6 HB2 SER 2 1HB SER 2 8.745 13.397 12.488 7 HB3 SER 2 2HB SER 2 7.007 13.681 12.409 8 HG SER 2 HG SER 2 7.789 15.684 12.352 9 H SER 3 H SER 3 8.566 11.653 16.206 10 HA SER 3 HA SER 3 11.264 12.637 16.306 11 HB2 SER 3 1HB SER 3 11.252 13.625 18.459 12 HB3 SER 3 2HB SER 3 9.858 14.320 17.631 13 HG SER 3 HG SER 3 9.964 12.606 19.798 14 H GLY 4 H GLY 4 12.497 10.932 16.718 15 HA2 GLY 4 1HA GLY 4 12.936 9.253 18.572 16 HA3 GLY 4 2HA GLY 4 11.307 8.691 18.228 17 H SER 5 H SER 5 10.926 8.042 15.900 18 HA SER 5 HA SER 5 13.118 6.294 15.104 19 HB2 SER 5 1HB SER 5 11.501 5.093 13.805 20 HB3 SER 5 2HB SER 5 10.747 5.457 15.357 21 HG SER 5 HG SER 5 9.595 5.912 13.217 22 H SER 6 H SER 6 14.357 6.604 13.365 23 HA SER 6 HA SER 6 14.635 8.971 12.046 24 HB2 SER 6 1HB SER 6 15.188 6.197 10.967 25 HB3 SER 6 2HB SER 6 15.793 7.688 10.244 26 HG SER 6 HG SER 6 16.334 6.758 12.872 27 H GLY 7 H GLY 7 12.789 6.161 10.856 28 HA2 GLY 7 1HA GLY 7 10.543 6.763 9.932 29 HA3 GLY 7 2HA GLY 7 11.386 8.008 9.023 30 H SER 8 H SER 8 10.872 7.290 6.994 31 HA SER 8 HA SER 8 11.839 4.602 6.270 32 HB2 SER 8 1HB SER 8 9.759 6.272 4.838 33 HB3 SER 8 2HB SER 8 10.232 4.621 4.440 34 HG SER 8 HG SER 8 9.380 5.106 7.045 35 H GLY 9 H GLY 9 13.344 4.384 4.706 36 HA2 GLY 9 1HA GLY 9 14.831 6.674 3.898 37 HA3 GLY 9 2HA GLY 9 15.092 5.024 3.352 38 H GLU 10 H GLU 10 14.856 4.743 1.246 39 HA GLU 10 HA GLU 10 12.836 6.347 -0.169 40 HB2 GLU 10 1HB GLU 10 15.657 5.749 -1.069 41 HB3 GLU 10 2HB GLU 10 14.412 6.414 -2.118 42 HG2 GLU 10 1HG GLU 10 15.033 7.802 0.439 43 HG3 GLU 10 2HG GLU 10 16.142 7.967 -0.921 44 H LYS 11 H LYS 11 11.673 5.309 -1.735 45 HA LYS 11 HA LYS 11 12.408 2.572 -2.456 46 HB2 LYS 11 1HB LYS 11 9.709 3.347 -1.333 47 HB3 LYS 11 2HB LYS 11 10.107 1.779 -2.022 48 HG2 LYS 11 1HG LYS 11 11.849 1.525 -0.257 49 HG3 LYS 11 2HG LYS 11 11.242 3.011 0.478 50 HD2 LYS 11 1HD LYS 11 8.934 1.706 0.281 51 HD3 LYS 11 2HD LYS 11 10.012 0.310 0.341 52 HE2 LYS 11 1HE LYS 11 10.739 0.797 2.475 53 HE3 LYS 11 2HE LYS 11 10.348 2.510 2.329 54 HZ1 LYS 11 3HZ LYS 11 8.278 2.173 3.056 55 HZ2 LYS 11 1HZ LYS 11 8.854 0.693 3.640 56 HZ3 LYS 11 2HZ LYS 11 8.064 0.763 2.146 57 HA PRO 12 HA PRO 12 11.210 4.473 -6.331 58 HB2 PRO 12 1HB PRO 12 12.051 2.410 -7.883 59 HB3 PRO 12 2HB PRO 12 13.155 3.608 -7.197 60 HG2 PRO 12 1HG PRO 12 12.512 0.849 -6.229 61 HG3 PRO 12 2HG PRO 12 14.086 1.658 -6.338 62 HD2 PRO 12 1HD PRO 12 12.716 1.447 -4.013 63 HD3 PRO 12 2HD PRO 12 13.759 2.835 -4.384 64 H PHE 13 H PHE 13 10.216 1.422 -5.003 65 HA PHE 13 HA PHE 13 8.089 1.141 -6.996 66 HB2 PHE 13 1HB PHE 13 8.835 -0.748 -4.755 67 HB3 PHE 13 2HB PHE 13 7.745 -1.082 -6.097 68 HD1 PHE 13 HD1 PHE 13 11.238 -0.674 -5.087 69 HD2 PHE 13 HD2 PHE 13 8.590 -1.586 -8.292 70 HE1 PHE 13 HE1 PHE 13 13.132 -1.535 -6.402 71 HE2 PHE 13 HE2 PHE 13 10.479 -2.448 -9.611 72 HZ PHE 13 HZ PHE 13 12.753 -2.425 -8.667 73 H LYS 14 H LYS 14 6.046 1.678 -6.581 74 HA LYS 14 HA LYS 14 5.173 1.945 -3.792 75 HB2 LYS 14 1HB LYS 14 5.752 4.190 -4.508 76 HB3 LYS 14 2HB LYS 14 4.787 4.008 -5.967 77 HG2 LYS 14 1HG LYS 14 2.793 3.687 -4.431 78 HG3 LYS 14 2HG LYS 14 3.841 4.255 -3.130 79 HD2 LYS 14 1HD LYS 14 4.283 6.304 -4.510 80 HD3 LYS 14 2HD LYS 14 3.031 5.746 -5.622 81 HE2 LYS 14 1HE LYS 14 1.340 6.172 -4.147 82 HE3 LYS 14 2HE LYS 14 2.357 5.900 -2.733 83 HZ1 LYS 14 3HZ LYS 14 1.970 8.332 -4.303 84 HZ2 LYS 14 1HZ LYS 14 3.512 8.065 -3.661 85 HZ3 LYS 14 2HZ LYS 14 2.170 8.143 -2.634 86 H CYS 15 H CYS 15 3.249 1.044 -3.410 87 HA CYS 15 HA CYS 15 1.862 -0.309 -5.508 88 HB2 CYS 15 1HB CYS 15 2.045 -1.162 -3.166 89 HB3 CYS 15 2HB CYS 15 0.968 0.134 -2.653 90 H GLU 16 H GLU 16 1.005 1.123 -6.965 91 HA GLU 16 HA GLU 16 -0.288 3.521 -6.408 92 HB2 GLU 16 1HB GLU 16 -1.262 1.858 -8.684 93 HB3 GLU 16 2HB GLU 16 -0.880 3.573 -8.633 94 HG2 GLU 16 1HG GLU 16 0.871 2.851 -9.871 95 HG3 GLU 16 2HG GLU 16 1.568 2.651 -8.264 96 H GLU 17 H GLU 17 -1.382 0.275 -6.030 97 HA GLU 17 HA GLU 17 -4.149 0.598 -6.197 98 HB2 GLU 17 1HB GLU 17 -2.729 -1.224 -4.254 99 HB3 GLU 17 2HB GLU 17 -4.333 -1.437 -4.942 100 HG2 GLU 17 1HG GLU 17 -3.035 -1.445 -7.209 101 HG3 GLU 17 2HG GLU 17 -1.664 -1.870 -6.186 102 H CYS 18 H CYS 18 -2.054 0.773 -3.319 103 HA CYS 18 HA CYS 18 -4.185 2.309 -1.981 104 HB2 CYS 18 1HB CYS 18 -3.381 1.446 0.142 105 HB3 CYS 18 2HB CYS 18 -3.740 0.104 -0.941 106 H GLY 19 H GLY 19 -0.698 1.968 -2.456 107 HA2 GLY 19 1HA GLY 19 0.383 4.195 -2.926 108 HA3 GLY 19 2HA GLY 19 -0.371 4.718 -1.427 109 H LYS 20 H LYS 20 0.693 1.495 -1.367 110 HA LYS 20 HA LYS 20 2.563 1.989 0.696 111 HB2 LYS 20 1HB LYS 20 1.639 -0.373 -0.841 112 HB3 LYS 20 2HB LYS 20 3.214 -0.509 -0.071 113 HG2 LYS 20 1HG LYS 20 1.852 0.441 2.001 114 HG3 LYS 20 2HG LYS 20 0.518 -0.325 1.136 115 HD2 LYS 20 1HD LYS 20 1.368 -2.434 1.414 116 HD3 LYS 20 2HD LYS 20 3.038 -1.867 1.496 117 HE2 LYS 20 1HE LYS 20 2.241 -2.710 3.660 118 HE3 LYS 20 2HE LYS 20 2.661 -0.999 3.729 119 HZ1 LYS 20 3HZ LYS 20 -0.109 -1.994 3.356 120 HZ2 LYS 20 1HZ LYS 20 0.377 -0.405 3.676 121 HZ3 LYS 20 2HZ LYS 20 0.547 -1.597 4.864 122 H ARG 21 H ARG 21 4.823 0.753 0.422 123 HA ARG 21 HA ARG 21 6.081 1.409 -2.121 124 HB2 ARG 21 1HB ARG 21 7.038 2.579 0.498 125 HB3 ARG 21 2HB ARG 21 7.863 2.719 -1.048 126 HG2 ARG 21 1HG ARG 21 5.608 3.776 -1.829 127 HG3 ARG 21 2HG ARG 21 5.373 4.050 -0.101 128 HD2 ARG 21 1HD ARG 21 7.849 4.970 -0.289 129 HD3 ARG 21 2HD ARG 21 7.366 5.227 -1.965 130 HE ARG 21 HE ARG 21 5.530 6.251 0.023 131 HH11 ARG 21 1HH1 ARG 21 8.248 6.909 -2.051 132 HH12 ARG 21 2HH1 ARG 21 8.002 8.624 -2.047 133 HH21 ARG 21 1HH2 ARG 21 5.196 8.507 0.035 134 HH22 ARG 21 2HH2 ARG 21 6.266 9.532 -0.859 135 H PHE 22 H PHE 22 8.198 0.477 -2.364 136 HA PHE 22 HA PHE 22 9.144 -1.351 -0.330 137 HB2 PHE 22 1HB PHE 22 8.450 -2.490 -3.035 138 HB3 PHE 22 2HB PHE 22 8.928 -3.360 -1.580 139 HD1 PHE 22 HD2 PHE 22 6.215 -1.340 -3.080 140 HD2 PHE 22 HD1 PHE 22 7.331 -4.093 -0.032 141 HE1 PHE 22 HE2 PHE 22 3.846 -1.641 -2.490 142 HE2 PHE 22 HE1 PHE 22 4.963 -4.399 0.564 143 HZ PHE 22 HZ PHE 22 3.217 -3.171 -0.665 144 H THR 23 H THR 23 11.262 -2.117 -0.714 145 HA THR 23 HA THR 23 12.830 -0.348 -2.370 146 HB THR 23 HB THR 23 13.599 -1.001 -0.108 147 HG1 THR 23 HG1 THR 23 15.107 -0.395 -1.787 148 HG21 THR 23 3HG2 THR 23 13.465 -3.707 -1.333 149 HG22 THR 23 1HG2 THR 23 13.099 -3.194 0.313 150 HG23 THR 23 2HG2 THR 23 14.776 -3.379 -0.201 151 H GLN 24 H GLN 24 11.310 -3.315 -2.813 152 HA GLN 24 HA GLN 24 12.852 -3.773 -5.258 153 HB2 GLN 24 1HB GLN 24 12.594 -5.623 -2.964 154 HB3 GLN 24 2HB GLN 24 12.366 -6.337 -4.555 155 HG2 GLN 24 1HG GLN 24 14.724 -4.588 -4.165 156 HG3 GLN 24 2HG GLN 24 14.740 -6.171 -3.391 157 HE21 GLN 24 1HE2 GLN 24 13.400 -5.100 -6.487 158 HE22 GLN 24 2HE2 GLN 24 14.319 -6.192 -7.461 159 H ASN 25 H ASN 25 11.703 -4.779 -6.932 160 HA ASN 25 HA ASN 25 8.975 -4.174 -7.089 161 HB2 ASN 25 1HB ASN 25 9.058 -5.735 -9.128 162 HB3 ASN 25 2HB ASN 25 10.124 -4.333 -9.140 163 HD21 ASN 25 1HD2 ASN 25 12.351 -4.642 -8.719 164 HD22 ASN 25 2HD2 ASN 25 13.097 -6.177 -8.987 165 H SER 26 H SER 26 10.566 -7.342 -6.733 166 HA SER 26 HA SER 26 8.457 -9.038 -6.681 167 HB2 SER 26 1HB SER 26 10.643 -9.941 -6.395 168 HB3 SER 26 2HB SER 26 10.906 -9.019 -4.915 169 HG SER 26 HG SER 26 8.715 -10.703 -4.893 170 H GLN 27 H GLN 27 9.502 -6.955 -4.019 171 HA GLN 27 HA GLN 27 7.691 -7.897 -2.088 172 HB2 GLN 27 1HB GLN 27 9.015 -5.203 -2.411 173 HB3 GLN 27 2HB GLN 27 8.073 -5.662 -0.999 174 HG2 GLN 27 1HG GLN 27 9.658 -7.610 -0.735 175 HG3 GLN 27 2HG GLN 27 10.666 -6.833 -1.955 176 HE21 GLN 27 1HE2 GLN 27 10.595 -4.243 -1.348 177 HE22 GLN 27 2HE2 GLN 27 11.223 -3.951 0.234 178 H LEU 28 H LEU 28 7.486 -4.979 -4.131 179 HA LEU 28 HA LEU 28 4.913 -4.214 -3.381 180 HB2 LEU 28 1HB LEU 28 6.298 -2.694 -4.579 181 HB3 LEU 28 2HB LEU 28 6.441 -3.804 -5.940 182 HG LEU 28 HG LEU 28 4.115 -3.425 -6.526 183 HD11 LEU 28 1HD1 LEU 28 3.526 -2.955 -4.041 184 HD12 LEU 28 2HD1 LEU 28 2.629 -2.137 -5.319 185 HD13 LEU 28 3HD1 LEU 28 3.906 -1.283 -4.454 186 HD21 LEU 28 3HD2 LEU 28 4.279 -1.078 -7.195 187 HD22 LEU 28 1HD2 LEU 28 5.798 -1.933 -7.464 188 HD23 LEU 28 2HD2 LEU 28 5.627 -0.853 -6.080 189 H HIS 29 H HIS 29 5.917 -6.104 -6.232 190 HA HIS 29 HA HIS 29 3.340 -6.629 -7.197 191 HB2 HIS 29 1HB HIS 29 6.007 -7.952 -7.553 192 HB3 HIS 29 2HB HIS 29 4.560 -8.710 -8.213 193 HD1 HIS 29 HD1 HIS 29 4.626 -8.262 -10.646 194 HD2 HIS 29 HD2 HIS 29 5.624 -4.897 -8.422 195 HE1 HIS 29 HE1 HIS 29 4.899 -6.406 -12.320 196 H SER 30 H SER 30 5.151 -8.049 -4.609 197 HA SER 30 HA SER 30 3.507 -10.416 -4.433 198 HB2 SER 30 1HB SER 30 5.873 -10.494 -3.762 199 HB3 SER 30 2HB SER 30 5.556 -9.307 -2.497 200 HG SER 30 HG SER 30 5.370 -11.186 -1.448 201 H HIS 31 H HIS 31 3.426 -7.199 -3.241 202 HA HIS 31 HA HIS 31 1.586 -7.853 -1.076 203 HB2 HIS 31 1HB HIS 31 2.934 -6.170 -0.294 204 HB3 HIS 31 2HB HIS 31 3.141 -5.448 -1.887 205 HD1 HIS 31 HD1 HIS 31 0.697 -5.574 0.980 206 HD2 HIS 31 HD2 HIS 31 1.411 -3.387 -2.480 207 HE1 HIS 31 HE1 HIS 31 -0.865 -3.606 1.094 208 H GLN 32 H GLN 32 1.624 -6.147 -4.172 209 HA GLN 32 HA GLN 32 -0.866 -5.001 -4.201 210 HB2 GLN 32 1HB GLN 32 0.750 -6.287 -6.385 211 HB3 GLN 32 2HB GLN 32 -0.817 -5.562 -6.722 212 HG2 GLN 32 1HG GLN 32 0.158 -3.476 -5.557 213 HG3 GLN 32 2HG GLN 32 1.717 -4.250 -5.837 214 HE21 GLN 32 1HE2 GLN 32 1.711 -2.036 -7.029 215 HE22 GLN 32 2HE2 GLN 32 1.323 -2.121 -8.710 216 H ARG 33 H ARG 33 -0.077 -8.355 -4.234 217 HA ARG 33 HA ARG 33 -2.320 -9.469 -5.443 218 HB2 ARG 33 1HB ARG 33 -1.031 -10.677 -3.008 219 HB3 ARG 33 2HB ARG 33 -1.738 -11.496 -4.394 220 HG2 ARG 33 1HG ARG 33 0.170 -10.288 -5.709 221 HG3 ARG 33 2HG ARG 33 0.924 -10.194 -4.117 222 HD2 ARG 33 1HD ARG 33 1.697 -12.186 -5.199 223 HD3 ARG 33 2HD ARG 33 0.608 -12.652 -3.892 224 HE ARG 33 HE ARG 33 -0.922 -12.468 -6.200 225 HH11 ARG 33 1HH1 ARG 33 1.741 -14.364 -5.002 226 HH12 ARG 33 2HH1 ARG 33 1.328 -15.768 -5.929 227 HH21 ARG 33 1HH2 ARG 33 -1.475 -14.310 -7.426 228 HH22 ARG 33 2HH2 ARG 33 -0.501 -15.736 -7.309 229 H VAL 34 H VAL 34 -1.912 -8.093 -2.255 230 HA VAL 34 HA VAL 34 -4.189 -9.127 -0.997 231 HB VAL 34 HB VAL 34 -4.011 -7.326 0.578 232 HG11 VAL 34 1HG1 VAL 34 -2.311 -8.703 1.171 233 HG12 VAL 34 2HG1 VAL 34 -1.543 -8.620 -0.415 234 HG13 VAL 34 3HG1 VAL 34 -1.342 -7.296 0.734 235 HG21 VAL 34 3HG2 VAL 34 -3.870 -5.388 -0.740 236 HG22 VAL 34 1HG2 VAL 34 -2.323 -5.472 0.102 237 HG23 VAL 34 2HG2 VAL 34 -2.435 -5.964 -1.588 238 H HIS 35 H HIS 35 -3.852 -6.720 -3.448 239 HA HIS 35 HA HIS 35 -6.560 -5.711 -3.026 240 HB2 HIS 35 1HB HIS 35 -4.395 -4.884 -4.968 241 HB3 HIS 35 2HB HIS 35 -5.986 -4.135 -4.876 242 HD1 HIS 35 HD1 HIS 35 -6.530 -2.918 -2.535 243 HD2 HIS 35 HD2 HIS 35 -2.547 -3.863 -3.242 244 HE1 HIS 35 HE1 HIS 35 -5.210 -1.522 -0.912 245 H THR 36 H THR 36 -4.742 -7.794 -5.129 246 HA THR 36 HA THR 36 -6.631 -7.885 -7.259 247 HB THR 36 HB THR 36 -5.374 -9.739 -8.123 248 HG1 THR 36 HG1 THR 36 -4.432 -9.925 -5.463 249 HG21 THR 36 3HG2 THR 36 -3.499 -8.572 -8.603 250 HG22 THR 36 1HG2 THR 36 -3.104 -8.305 -6.906 251 HG23 THR 36 2HG2 THR 36 -4.306 -7.289 -7.702 252 H GLY 37 H GLY 37 -6.295 -9.549 -4.218 253 HA2 GLY 37 1HA GLY 37 -8.111 -11.683 -4.897 254 HA3 GLY 37 2HA GLY 37 -7.454 -11.335 -3.304 255 H GLU 38 H GLU 38 -9.292 -9.181 -5.429 256 HA GLU 38 HA GLU 38 -11.724 -9.477 -3.944 257 HB2 GLU 38 1HB GLU 38 -10.612 -8.138 -2.305 258 HB3 GLU 38 2HB GLU 38 -10.014 -7.027 -3.529 259 HG2 GLU 38 1HG GLU 38 -11.835 -6.033 -2.291 260 HG3 GLU 38 2HG GLU 38 -12.296 -6.283 -3.974 261 H LYS 39 H LYS 39 -13.292 -9.185 -5.370 262 HA LYS 39 HA LYS 39 -12.860 -8.165 -7.959 263 HB2 LYS 39 1HB LYS 39 -15.399 -8.728 -6.425 264 HB3 LYS 39 2HB LYS 39 -15.384 -8.234 -8.113 265 HG2 LYS 39 1HG LYS 39 -15.471 -10.482 -8.393 266 HG3 LYS 39 2HG LYS 39 -13.719 -10.281 -8.318 267 HD2 LYS 39 1HD LYS 39 -13.617 -11.043 -6.100 268 HD3 LYS 39 2HD LYS 39 -15.352 -10.825 -5.856 269 HE2 LYS 39 1HE LYS 39 -14.123 -12.831 -7.743 270 HE3 LYS 39 2HE LYS 39 -14.664 -13.200 -6.106 271 HZ1 LYS 39 3HZ LYS 39 -16.705 -11.874 -7.561 272 HZ2 LYS 39 1HZ LYS 39 -16.739 -13.392 -6.816 273 HZ3 LYS 39 2HZ LYS 39 -16.182 -13.243 -8.406 274 HA PRO 40 HA PRO 40 -13.245 -3.818 -7.336 275 HB2 PRO 40 1HB PRO 40 -13.850 -3.099 -9.883 276 HB3 PRO 40 2HB PRO 40 -12.228 -3.593 -9.384 277 HG2 PRO 40 1HG PRO 40 -14.354 -5.187 -10.762 278 HG3 PRO 40 2HG PRO 40 -12.612 -5.126 -11.090 279 HD2 PRO 40 1HD PRO 40 -13.760 -7.137 -9.686 280 HD3 PRO 40 2HD PRO 40 -12.109 -6.569 -9.364 281 H SER 41 H SER 41 -14.801 -2.053 -7.577 282 HA SER 41 HA SER 41 -17.573 -3.052 -7.633 283 HB2 SER 41 1HB SER 41 -16.913 -2.261 -5.417 284 HB3 SER 41 2HB SER 41 -16.411 -0.714 -6.098 285 HG SER 41 HG SER 41 -19.049 -1.710 -6.345 286 H GLY 42 H GLY 42 -17.587 -2.717 -9.950 287 HA2 GLY 42 1HA GLY 42 -18.859 -0.386 -10.752 288 HA3 GLY 42 2HA GLY 42 -17.153 -0.159 -11.108 289 HA PRO 43 HA PRO 43 -19.027 -2.141 -14.817 290 HB2 PRO 43 1HB PRO 43 -17.590 -0.673 -16.593 291 HB3 PRO 43 2HB PRO 43 -19.110 -0.109 -15.888 292 HG2 PRO 43 1HG PRO 43 -16.298 0.563 -15.112 293 HG3 PRO 43 2HG PRO 43 -17.703 1.634 -15.265 294 HD2 PRO 43 1HD PRO 43 -16.823 0.717 -12.874 295 HD3 PRO 43 2HD PRO 43 -18.537 1.040 -13.200 296 H SER 44 H SER 44 -18.191 -4.084 -15.224 297 HA SER 44 HA SER 44 -15.273 -4.315 -15.572 298 HB2 SER 44 1HB SER 44 -17.233 -6.326 -14.446 299 HB3 SER 44 2HB SER 44 -15.554 -6.698 -14.835 300 HG SER 44 HG SER 44 -15.525 -6.151 -12.722 301 H SER 45 H SER 45 -15.333 -3.978 -17.800 302 HA SER 45 HA SER 45 -16.981 -4.905 -19.720 303 HB2 SER 45 1HB SER 45 -13.964 -4.777 -19.756 304 HB3 SER 45 2HB SER 45 -14.918 -5.140 -21.194 305 HG SER 45 HG SER 45 -14.290 -2.822 -20.604 306 H GLY 46 H GLY 46 -14.341 -6.789 -18.259 307 HA2 GLY 46 1HA GLY 46 -15.613 -9.218 -19.367 308 HA3 GLY 46 2HA GLY 46 -13.875 -9.044 -19.172 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.428 7.217 16.174 2 HA2 GLY 1 1HA GLY 1 -9.299 9.884 16.296 3 HA3 GLY 1 2HA GLY 1 -8.627 8.889 17.579 4 H SER 2 H SER 2 -6.345 8.197 17.297 5 HA SER 2 HA SER 2 -4.802 10.383 16.074 6 HB2 SER 2 1HB SER 2 -4.244 8.595 18.437 7 HB3 SER 2 2HB SER 2 -2.974 9.546 17.667 8 HG SER 2 HG SER 2 -4.001 10.612 19.457 9 H SER 3 H SER 3 -4.678 9.494 13.998 10 HA SER 3 HA SER 3 -3.594 6.841 13.620 11 HB2 SER 3 1HB SER 3 -4.429 9.033 11.721 12 HB3 SER 3 2HB SER 3 -3.664 7.546 11.163 13 HG SER 3 HG SER 3 -5.382 6.388 12.106 14 H GLY 4 H GLY 4 -1.613 6.354 12.598 15 HA2 GLY 4 1HA GLY 4 0.367 8.546 12.700 16 HA3 GLY 4 2HA GLY 4 0.724 6.922 13.268 17 H SER 5 H SER 5 2.497 6.817 11.822 18 HA SER 5 HA SER 5 1.698 6.013 9.131 19 HB2 SER 5 1HB SER 5 3.462 8.324 9.791 20 HB3 SER 5 2HB SER 5 3.914 7.316 8.416 21 HG SER 5 HG SER 5 2.481 9.134 7.950 22 H SER 6 H SER 6 3.595 5.002 7.952 23 HA SER 6 HA SER 6 5.611 3.851 9.718 24 HB2 SER 6 1HB SER 6 5.090 1.565 9.137 25 HB3 SER 6 2HB SER 6 3.629 2.318 9.777 26 HG SER 6 HG SER 6 4.224 1.494 7.180 27 H GLY 7 H GLY 7 7.526 3.709 8.731 28 HA2 GLY 7 1HA GLY 7 8.536 2.811 6.550 29 HA3 GLY 7 2HA GLY 7 7.577 4.084 5.809 30 H SER 8 H SER 8 10.597 3.313 6.826 31 HA SER 8 HA SER 8 11.312 6.149 7.178 32 HB2 SER 8 1HB SER 8 11.507 4.677 9.269 33 HB3 SER 8 2HB SER 8 12.851 3.886 8.446 34 HG SER 8 HG SER 8 13.660 5.552 9.699 35 H GLY 9 H GLY 9 11.686 6.243 4.902 36 HA2 GLY 9 1HA GLY 9 14.099 6.341 3.896 37 HA3 GLY 9 2HA GLY 9 13.888 4.596 3.882 38 H GLU 10 H GLU 10 14.326 6.309 1.612 39 HA GLU 10 HA GLU 10 11.838 6.666 0.238 40 HB2 GLU 10 1HB GLU 10 14.728 6.878 -0.547 41 HB3 GLU 10 2HB GLU 10 13.466 6.935 -1.769 42 HG2 GLU 10 1HG GLU 10 13.719 9.155 -1.356 43 HG3 GLU 10 2HG GLU 10 12.460 8.769 -0.184 44 H LYS 11 H LYS 11 11.222 5.572 -1.727 45 HA LYS 11 HA LYS 11 12.411 2.965 -2.229 46 HB2 LYS 11 1HB LYS 11 9.703 3.388 -1.051 47 HB3 LYS 11 2HB LYS 11 9.903 2.098 -2.230 48 HG2 LYS 11 1HG LYS 11 11.297 0.879 -0.864 49 HG3 LYS 11 2HG LYS 11 11.794 2.294 0.068 50 HD2 LYS 11 1HD LYS 11 8.940 1.427 0.149 51 HD3 LYS 11 2HD LYS 11 10.137 0.531 1.087 52 HE2 LYS 11 1HE LYS 11 10.752 2.490 2.304 53 HE3 LYS 11 2HE LYS 11 9.794 3.520 1.241 54 HZ1 LYS 11 3HZ LYS 11 7.909 1.884 2.099 55 HZ2 LYS 11 1HZ LYS 11 8.322 3.304 2.921 56 HZ3 LYS 11 2HZ LYS 11 8.936 1.816 3.441 57 HA PRO 12 HA PRO 12 11.457 4.424 -6.315 58 HB2 PRO 12 1HB PRO 12 12.370 2.234 -7.635 59 HB3 PRO 12 2HB PRO 12 13.444 3.460 -6.950 60 HG2 PRO 12 1HG PRO 12 12.656 0.795 -5.837 61 HG3 PRO 12 2HG PRO 12 14.254 1.563 -5.875 62 HD2 PRO 12 1HD PRO 12 12.693 1.556 -3.662 63 HD3 PRO 12 2HD PRO 12 13.797 2.892 -4.047 64 H PHE 13 H PHE 13 10.215 1.592 -4.787 65 HA PHE 13 HA PHE 13 8.216 1.253 -6.918 66 HB2 PHE 13 1HB PHE 13 8.945 -0.652 -4.684 67 HB3 PHE 13 2HB PHE 13 7.803 -0.970 -5.986 68 HD1 PHE 13 HD1 PHE 13 11.342 -0.583 -5.115 69 HD2 PHE 13 HD2 PHE 13 8.557 -1.526 -8.193 70 HE1 PHE 13 HE1 PHE 13 13.173 -1.477 -6.494 71 HE2 PHE 13 HE2 PHE 13 10.383 -2.422 -9.576 72 HZ PHE 13 HZ PHE 13 12.695 -2.399 -8.727 73 H LYS 14 H LYS 14 6.119 1.659 -6.541 74 HA LYS 14 HA LYS 14 5.186 1.956 -3.783 75 HB2 LYS 14 1HB LYS 14 5.797 4.208 -4.463 76 HB3 LYS 14 2HB LYS 14 4.859 4.048 -5.941 77 HG2 LYS 14 1HG LYS 14 2.860 3.651 -4.355 78 HG3 LYS 14 2HG LYS 14 3.904 4.371 -3.128 79 HD2 LYS 14 1HD LYS 14 4.212 6.327 -4.663 80 HD3 LYS 14 2HD LYS 14 2.980 5.621 -5.712 81 HE2 LYS 14 1HE LYS 14 1.284 6.021 -4.211 82 HE3 LYS 14 2HE LYS 14 2.367 6.007 -2.820 83 HZ1 LYS 14 3HZ LYS 14 2.414 8.154 -4.860 84 HZ2 LYS 14 1HZ LYS 14 3.130 8.160 -3.327 85 HZ3 LYS 14 2HZ LYS 14 1.447 8.233 -3.474 86 H CYS 15 H CYS 15 3.278 1.005 -3.477 87 HA CYS 15 HA CYS 15 1.938 -0.286 -5.639 88 HB2 CYS 15 1HB CYS 15 2.074 -1.184 -3.303 89 HB3 CYS 15 2HB CYS 15 0.958 0.082 -2.803 90 H GLU 16 H GLU 16 0.919 0.977 -7.083 91 HA GLU 16 HA GLU 16 -0.318 3.436 -6.531 92 HB2 GLU 16 1HB GLU 16 -0.893 1.530 -8.806 93 HB3 GLU 16 2HB GLU 16 -1.317 3.235 -8.757 94 HG2 GLU 16 1HG GLU 16 1.516 2.262 -8.565 95 HG3 GLU 16 2HG GLU 16 0.726 2.617 -10.100 96 H GLU 17 H GLU 17 -1.406 0.186 -6.149 97 HA GLU 17 HA GLU 17 -4.170 0.489 -6.307 98 HB2 GLU 17 1HB GLU 17 -2.701 -1.297 -4.364 99 HB3 GLU 17 2HB GLU 17 -4.333 -1.518 -4.977 100 HG2 GLU 17 1HG GLU 17 -3.167 -1.591 -7.297 101 HG3 GLU 17 2HG GLU 17 -1.722 -1.946 -6.352 102 H CYS 18 H CYS 18 -2.062 0.761 -3.449 103 HA CYS 18 HA CYS 18 -4.203 2.308 -2.139 104 HB2 CYS 18 1HB CYS 18 -3.313 1.492 0.019 105 HB3 CYS 18 2HB CYS 18 -3.882 0.178 -1.006 106 H GLY 19 H GLY 19 -0.716 1.919 -2.570 107 HA2 GLY 19 1HA GLY 19 0.404 4.120 -3.058 108 HA3 GLY 19 2HA GLY 19 -0.369 4.682 -1.583 109 H LYS 20 H LYS 20 0.687 1.442 -1.498 110 HA LYS 20 HA LYS 20 2.482 1.911 0.628 111 HB2 LYS 20 1HB LYS 20 1.674 -0.428 -1.012 112 HB3 LYS 20 2HB LYS 20 3.206 -0.552 -0.157 113 HG2 LYS 20 1HG LYS 20 1.789 0.265 1.885 114 HG3 LYS 20 2HG LYS 20 0.440 -0.349 0.926 115 HD2 LYS 20 1HD LYS 20 1.042 -2.191 2.203 116 HD3 LYS 20 2HD LYS 20 1.893 -2.477 0.684 117 HE2 LYS 20 1HE LYS 20 3.319 -2.908 2.635 118 HE3 LYS 20 2HE LYS 20 3.942 -1.594 1.638 119 HZ1 LYS 20 3HZ LYS 20 3.393 -1.531 4.349 120 HZ2 LYS 20 1HZ LYS 20 2.207 -0.571 3.619 121 HZ3 LYS 20 2HZ LYS 20 3.844 -0.232 3.364 122 H ARG 21 H ARG 21 4.762 0.657 0.370 123 HA ARG 21 HA ARG 21 6.104 1.428 -2.092 124 HB2 ARG 21 1HB ARG 21 6.957 2.525 0.594 125 HB3 ARG 21 2HB ARG 21 7.831 2.724 -0.919 126 HG2 ARG 21 1HG ARG 21 5.647 3.810 -1.768 127 HG3 ARG 21 2HG ARG 21 5.251 3.958 -0.055 128 HD2 ARG 21 1HD ARG 21 7.910 4.883 -1.056 129 HD3 ARG 21 2HD ARG 21 6.486 5.897 -1.287 130 HE ARG 21 HE ARG 21 6.906 4.958 1.416 131 HH11 ARG 21 1HH1 ARG 21 7.468 7.486 -0.911 132 HH12 ARG 21 2HH1 ARG 21 7.757 8.704 0.288 133 HH21 ARG 21 1HH2 ARG 21 7.285 6.552 3.003 134 HH22 ARG 21 2HH2 ARG 21 7.654 8.171 2.514 135 H PHE 22 H PHE 22 8.193 0.481 -2.333 136 HA PHE 22 HA PHE 22 9.125 -1.370 -0.310 137 HB2 PHE 22 1HB PHE 22 8.470 -2.463 -3.044 138 HB3 PHE 22 2HB PHE 22 8.940 -3.358 -1.603 139 HD1 PHE 22 HD2 PHE 22 6.225 -1.354 -3.110 140 HD2 PHE 22 HD1 PHE 22 7.337 -4.107 -0.060 141 HE1 PHE 22 HE2 PHE 22 3.852 -1.683 -2.547 142 HE2 PHE 22 HE1 PHE 22 4.966 -4.441 0.507 143 HZ PHE 22 HZ PHE 22 3.220 -3.227 -0.736 144 H THR 23 H THR 23 11.239 -2.198 -0.742 145 HA THR 23 HA THR 23 12.847 -0.355 -2.272 146 HB THR 23 HB THR 23 13.516 -1.284 -0.016 147 HG1 THR 23 HG1 THR 23 15.477 -0.773 -0.628 148 HG21 THR 23 3HG2 THR 23 14.181 -3.729 -1.661 149 HG22 THR 23 1HG2 THR 23 12.901 -3.628 -0.452 150 HG23 THR 23 2HG2 THR 23 14.589 -3.472 0.035 151 H GLN 24 H GLN 24 11.312 -3.306 -2.879 152 HA GLN 24 HA GLN 24 12.802 -3.588 -5.381 153 HB2 GLN 24 1HB GLN 24 12.657 -5.571 -3.194 154 HB3 GLN 24 2HB GLN 24 12.378 -6.201 -4.812 155 HG2 GLN 24 1HG GLN 24 14.720 -4.433 -4.425 156 HG3 GLN 24 2HG GLN 24 14.794 -6.052 -3.731 157 HE21 GLN 24 1HE2 GLN 24 13.421 -4.749 -6.732 158 HE22 GLN 24 2HE2 GLN 24 14.276 -5.815 -7.788 159 H ASN 25 H ASN 25 11.658 -4.870 -6.998 160 HA ASN 25 HA ASN 25 8.918 -4.180 -7.135 161 HB2 ASN 25 1HB ASN 25 8.927 -5.610 -9.202 162 HB3 ASN 25 2HB ASN 25 10.172 -4.364 -9.175 163 HD21 ASN 25 1HD2 ASN 25 12.332 -4.968 -8.823 164 HD22 ASN 25 2HD2 ASN 25 12.868 -6.587 -9.100 165 H SER 26 H SER 26 10.542 -7.326 -6.757 166 HA SER 26 HA SER 26 8.451 -9.048 -6.683 167 HB2 SER 26 1HB SER 26 10.918 -8.974 -4.947 168 HB3 SER 26 2HB SER 26 9.771 -10.312 -4.892 169 HG SER 26 HG SER 26 10.331 -10.903 -6.889 170 H GLN 27 H GLN 27 9.521 -6.991 -3.999 171 HA GLN 27 HA GLN 27 7.697 -7.914 -2.082 172 HB2 GLN 27 1HB GLN 27 8.996 -5.203 -2.389 173 HB3 GLN 27 2HB GLN 27 8.100 -5.714 -0.965 174 HG2 GLN 27 1HG GLN 27 9.734 -7.652 -0.820 175 HG3 GLN 27 2HG GLN 27 10.702 -6.779 -2.008 176 HE21 GLN 27 1HE2 GLN 27 10.592 -4.239 -1.278 177 HE22 GLN 27 2HE2 GLN 27 11.215 -4.005 0.316 178 H LEU 28 H LEU 28 7.500 -5.006 -4.140 179 HA LEU 28 HA LEU 28 4.942 -4.209 -3.383 180 HB2 LEU 28 1HB LEU 28 6.321 -2.718 -4.617 181 HB3 LEU 28 2HB LEU 28 6.457 -3.853 -5.958 182 HG LEU 28 HG LEU 28 4.121 -3.480 -6.533 183 HD11 LEU 28 1HD1 LEU 28 2.664 -2.126 -5.356 184 HD12 LEU 28 2HD1 LEU 28 3.963 -1.285 -4.511 185 HD13 LEU 28 3HD1 LEU 28 3.549 -2.940 -4.065 186 HD21 LEU 28 3HD2 LEU 28 4.900 -0.686 -6.327 187 HD22 LEU 28 1HD2 LEU 28 4.667 -1.696 -7.754 188 HD23 LEU 28 2HD2 LEU 28 6.209 -1.721 -6.900 189 H HIS 29 H HIS 29 5.878 -6.094 -6.265 190 HA HIS 29 HA HIS 29 3.292 -6.628 -7.172 191 HB2 HIS 29 1HB HIS 29 5.969 -7.869 -7.590 192 HB3 HIS 29 2HB HIS 29 4.553 -8.779 -8.106 193 HD1 HIS 29 HD1 HIS 29 5.880 -8.300 -10.487 194 HD2 HIS 29 HD2 HIS 29 3.858 -5.131 -8.718 195 HE1 HIS 29 HE1 HIS 29 5.547 -6.610 -12.319 196 H SER 30 H SER 30 5.146 -8.067 -4.615 197 HA SER 30 HA SER 30 3.496 -10.416 -4.391 198 HB2 SER 30 1HB SER 30 5.878 -10.440 -3.723 199 HB3 SER 30 2HB SER 30 5.519 -9.283 -2.442 200 HG SER 30 HG SER 30 4.929 -11.996 -2.614 201 H HIS 31 H HIS 31 3.409 -7.184 -3.232 202 HA HIS 31 HA HIS 31 1.567 -7.821 -1.065 203 HB2 HIS 31 1HB HIS 31 2.919 -6.132 -0.298 204 HB3 HIS 31 2HB HIS 31 3.117 -5.419 -1.896 205 HD1 HIS 31 HD1 HIS 31 0.901 -5.365 1.105 206 HD2 HIS 31 HD2 HIS 31 1.161 -3.539 -2.618 207 HE1 HIS 31 HE1 HIS 31 -0.721 -3.445 1.183 208 H GLN 32 H GLN 32 1.609 -6.122 -4.166 209 HA GLN 32 HA GLN 32 -0.886 -4.988 -4.207 210 HB2 GLN 32 1HB GLN 32 0.774 -6.248 -6.367 211 HB3 GLN 32 2HB GLN 32 -0.818 -5.596 -6.733 212 HG2 GLN 32 1HG GLN 32 -0.137 -3.408 -5.970 213 HG3 GLN 32 2HG GLN 32 1.436 -4.040 -5.485 214 HE21 GLN 32 1HE2 GLN 32 1.762 -2.050 -7.020 215 HE22 GLN 32 2HE2 GLN 32 2.084 -2.468 -8.665 216 H ARG 33 H ARG 33 -0.071 -8.348 -4.297 217 HA ARG 33 HA ARG 33 -2.325 -9.455 -5.485 218 HB2 ARG 33 1HB ARG 33 -1.052 -10.717 -3.076 219 HB3 ARG 33 2HB ARG 33 -1.695 -11.491 -4.519 220 HG2 ARG 33 1HG ARG 33 0.224 -10.246 -5.737 221 HG3 ARG 33 2HG ARG 33 0.921 -10.111 -4.122 222 HD2 ARG 33 1HD ARG 33 1.844 -12.079 -4.972 223 HD3 ARG 33 2HD ARG 33 0.522 -12.635 -3.947 224 HE ARG 33 HE ARG 33 -0.665 -12.490 -6.342 225 HH11 ARG 33 1HH1 ARG 33 2.358 -13.894 -5.337 226 HH12 ARG 33 2HH1 ARG 33 2.335 -15.134 -6.548 227 HH21 ARG 33 1HH2 ARG 33 -0.707 -14.117 -7.941 228 HH22 ARG 33 2HH2 ARG 33 0.592 -15.259 -8.029 229 H VAL 34 H VAL 34 -1.887 -8.120 -2.282 230 HA VAL 34 HA VAL 34 -4.136 -9.180 -1.005 231 HB VAL 34 HB VAL 34 -3.939 -7.430 0.597 232 HG11 VAL 34 1HG1 VAL 34 -2.132 -8.655 1.142 233 HG12 VAL 34 2HG1 VAL 34 -1.494 -8.636 -0.503 234 HG13 VAL 34 3HG1 VAL 34 -1.237 -7.252 0.560 235 HG21 VAL 34 3HG2 VAL 34 -2.419 -5.932 -1.531 236 HG22 VAL 34 1HG2 VAL 34 -3.963 -5.493 -0.799 237 HG23 VAL 34 2HG2 VAL 34 -2.484 -5.439 0.161 238 H HIS 35 H HIS 35 -3.849 -6.702 -3.408 239 HA HIS 35 HA HIS 35 -6.494 -5.627 -2.934 240 HB2 HIS 35 1HB HIS 35 -4.378 -5.089 -5.014 241 HB3 HIS 35 2HB HIS 35 -5.976 -4.353 -5.088 242 HD1 HIS 35 HD1 HIS 35 -6.600 -2.761 -3.029 243 HD2 HIS 35 HD2 HIS 35 -2.601 -3.840 -3.350 244 HE1 HIS 35 HE1 HIS 35 -5.346 -1.132 -1.581 245 H THR 36 H THR 36 -5.016 -8.067 -4.882 246 HA THR 36 HA THR 36 -7.302 -8.263 -6.675 247 HB THR 36 HB THR 36 -6.047 -10.044 -7.796 248 HG1 THR 36 HG1 THR 36 -3.800 -10.322 -6.982 249 HG21 THR 36 3HG2 THR 36 -5.512 -7.970 -8.703 250 HG22 THR 36 1HG2 THR 36 -3.929 -8.634 -8.300 251 HG23 THR 36 2HG2 THR 36 -4.678 -7.436 -7.244 252 H GLY 37 H GLY 37 -7.945 -8.721 -3.988 253 HA2 GLY 37 1HA GLY 37 -9.076 -11.371 -4.209 254 HA3 GLY 37 2HA GLY 37 -7.898 -11.204 -2.916 255 H GLU 38 H GLU 38 -10.061 -8.637 -3.939 256 HA GLU 38 HA GLU 38 -12.104 -9.099 -2.049 257 HB2 GLU 38 1HB GLU 38 -10.207 -8.560 -0.501 258 HB3 GLU 38 2HB GLU 38 -10.130 -6.963 -1.232 259 HG2 GLU 38 1HG GLU 38 -12.067 -6.263 -0.249 260 HG3 GLU 38 2HG GLU 38 -12.733 -7.891 -0.145 261 H LYS 39 H LYS 39 -13.714 -7.457 -2.057 262 HA LYS 39 HA LYS 39 -13.311 -5.227 -3.905 263 HB2 LYS 39 1HB LYS 39 -15.473 -5.736 -5.031 264 HB3 LYS 39 2HB LYS 39 -14.225 -6.937 -5.333 265 HG2 LYS 39 1HG LYS 39 -15.956 -8.329 -4.896 266 HG3 LYS 39 2HG LYS 39 -15.372 -8.103 -3.246 267 HD2 LYS 39 1HD LYS 39 -17.070 -6.531 -2.759 268 HD3 LYS 39 2HD LYS 39 -17.503 -6.361 -4.462 269 HE2 LYS 39 1HE LYS 39 -19.185 -7.704 -3.489 270 HE3 LYS 39 2HE LYS 39 -18.155 -8.802 -4.407 271 HZ1 LYS 39 3HZ LYS 39 -17.128 -9.556 -2.432 272 HZ2 LYS 39 1HZ LYS 39 -18.793 -9.577 -2.133 273 HZ3 LYS 39 2HZ LYS 39 -17.836 -8.337 -1.497 274 HA PRO 40 HA PRO 40 -15.601 -3.019 -0.867 275 HB2 PRO 40 1HB PRO 40 -16.475 -0.945 -2.386 276 HB3 PRO 40 2HB PRO 40 -14.796 -1.109 -1.859 277 HG2 PRO 40 1HG PRO 40 -16.030 -1.802 -4.497 278 HG3 PRO 40 2HG PRO 40 -14.489 -0.991 -4.161 279 HD2 PRO 40 1HD PRO 40 -14.643 -3.616 -4.807 280 HD3 PRO 40 2HD PRO 40 -13.398 -2.972 -3.716 281 H SER 41 H SER 41 -17.259 -4.615 -0.564 282 HA SER 41 HA SER 41 -19.626 -4.464 -2.241 283 HB2 SER 41 1HB SER 41 -20.449 -6.340 -0.950 284 HB3 SER 41 2HB SER 41 -18.768 -6.650 -1.384 285 HG SER 41 HG SER 41 -18.287 -5.727 0.770 286 H GLY 42 H GLY 42 -21.361 -3.263 -1.816 287 HA2 GLY 42 1HA GLY 42 -22.848 -2.780 0.282 288 HA3 GLY 42 2HA GLY 42 -21.449 -1.818 0.734 289 HA PRO 43 HA PRO 43 -23.850 1.350 -1.321 290 HB2 PRO 43 1HB PRO 43 -22.249 3.403 -0.554 291 HB3 PRO 43 2HB PRO 43 -23.443 2.664 0.519 292 HG2 PRO 43 1HG PRO 43 -20.491 2.196 0.363 293 HG3 PRO 43 2HG PRO 43 -21.520 2.378 1.795 294 HD2 PRO 43 1HD PRO 43 -20.693 -0.037 0.893 295 HD3 PRO 43 2HD PRO 43 -22.259 0.197 1.697 296 H SER 44 H SER 44 -23.550 2.709 -3.121 297 HA SER 44 HA SER 44 -21.609 1.825 -4.989 298 HB2 SER 44 1HB SER 44 -23.823 2.649 -5.680 299 HB3 SER 44 2HB SER 44 -23.406 4.261 -5.097 300 HG SER 44 HG SER 44 -22.609 2.939 -7.395 301 H SER 45 H SER 45 -19.549 2.186 -4.219 302 HA SER 45 HA SER 45 -18.774 4.986 -3.758 303 HB2 SER 45 1HB SER 45 -17.743 2.375 -2.730 304 HB3 SER 45 2HB SER 45 -16.616 3.723 -2.883 305 HG SER 45 HG SER 45 -17.410 4.145 -0.956 306 H GLY 46 H GLY 46 -17.358 5.981 -5.076 307 HA2 GLY 46 1HA GLY 46 -15.303 4.872 -6.547 308 HA3 GLY 46 2HA GLY 46 -16.718 4.785 -7.585 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -0.940 5.812 19.301 2 HA2 GLY 1 1HA GLY 1 -1.337 6.291 21.703 3 HA3 GLY 1 2HA GLY 1 0.143 5.398 22.020 4 H SER 2 H SER 2 2.134 6.296 20.931 5 HA SER 2 HA SER 2 2.022 9.242 20.918 6 HB2 SER 2 1HB SER 2 3.998 7.372 22.193 7 HB3 SER 2 2HB SER 2 4.488 8.999 21.722 8 HG SER 2 HG SER 2 2.126 8.753 23.174 9 H SER 3 H SER 3 3.640 10.313 19.617 10 HA SER 3 HA SER 3 3.792 9.431 17.014 11 HB2 SER 3 1HB SER 3 5.425 11.404 18.583 12 HB3 SER 3 2HB SER 3 5.845 11.041 16.909 13 HG SER 3 HG SER 3 4.340 12.843 17.275 14 H GLY 4 H GLY 4 5.769 8.898 15.737 15 HA2 GLY 4 1HA GLY 4 7.908 7.541 17.137 16 HA3 GLY 4 2HA GLY 4 6.820 6.470 16.267 17 H SER 5 H SER 5 8.609 5.831 14.959 18 HA SER 5 HA SER 5 9.315 7.835 12.915 19 HB2 SER 5 1HB SER 5 11.285 7.303 14.230 20 HB3 SER 5 2HB SER 5 11.010 5.576 14.006 21 HG SER 5 HG SER 5 12.579 6.787 12.566 22 H SER 6 H SER 6 8.466 7.395 11.003 23 HA SER 6 HA SER 6 8.245 4.591 10.154 24 HB2 SER 6 1HB SER 6 6.029 5.536 10.975 25 HB3 SER 6 2HB SER 6 6.088 6.629 9.593 26 HG SER 6 HG SER 6 6.347 3.832 9.293 27 H GLY 7 H GLY 7 9.528 4.393 8.444 28 HA2 GLY 7 1HA GLY 7 9.691 4.826 6.042 29 HA3 GLY 7 2HA GLY 7 9.452 6.529 6.405 30 H SER 8 H SER 8 11.161 7.701 7.424 31 HA SER 8 HA SER 8 13.355 8.390 7.232 32 HB2 SER 8 1HB SER 8 14.742 7.335 8.866 33 HB3 SER 8 2HB SER 8 13.089 7.225 9.470 34 HG SER 8 HG SER 8 14.678 5.201 8.302 35 H GLY 9 H GLY 9 12.678 7.176 4.865 36 HA2 GLY 9 1HA GLY 9 15.227 6.426 3.859 37 HA3 GLY 9 2HA GLY 9 14.191 5.014 4.011 38 H GLU 10 H GLU 10 14.506 4.913 1.657 39 HA GLU 10 HA GLU 10 12.385 6.410 0.313 40 HB2 GLU 10 1HB GLU 10 14.661 7.514 -0.045 41 HB3 GLU 10 2HB GLU 10 15.089 6.086 -0.976 42 HG2 GLU 10 1HG GLU 10 14.373 7.843 -2.454 43 HG3 GLU 10 2HG GLU 10 13.206 6.522 -2.487 44 H LYS 11 H LYS 11 11.499 5.369 -1.499 45 HA LYS 11 HA LYS 11 12.495 2.698 -2.147 46 HB2 LYS 11 1HB LYS 11 9.701 3.298 -1.169 47 HB3 LYS 11 2HB LYS 11 10.141 1.808 -1.994 48 HG2 LYS 11 1HG LYS 11 11.635 1.195 -0.229 49 HG3 LYS 11 2HG LYS 11 11.422 2.761 0.558 50 HD2 LYS 11 1HD LYS 11 8.870 2.008 0.476 51 HD3 LYS 11 2HD LYS 11 9.614 0.407 0.472 52 HE2 LYS 11 1HE LYS 11 10.768 0.873 2.520 53 HE3 LYS 11 2HE LYS 11 10.258 2.560 2.481 54 HZ1 LYS 11 3HZ LYS 11 8.986 1.003 3.998 55 HZ2 LYS 11 1HZ LYS 11 8.303 0.344 2.597 56 HZ3 LYS 11 2HZ LYS 11 8.063 1.977 2.968 57 HA PRO 12 HA PRO 12 11.546 4.424 -6.147 58 HB2 PRO 12 1HB PRO 12 12.438 2.297 -7.578 59 HB3 PRO 12 2HB PRO 12 13.523 3.487 -6.850 60 HG2 PRO 12 1HG PRO 12 12.744 0.775 -5.852 61 HG3 PRO 12 2HG PRO 12 14.342 1.542 -5.874 62 HD2 PRO 12 1HD PRO 12 12.809 1.434 -3.645 63 HD3 PRO 12 2HD PRO 12 13.911 2.785 -3.981 64 H PHE 13 H PHE 13 10.310 1.535 -4.729 65 HA PHE 13 HA PHE 13 8.320 1.246 -6.870 66 HB2 PHE 13 1HB PHE 13 8.959 -0.660 -4.609 67 HB3 PHE 13 2HB PHE 13 7.867 -0.968 -5.956 68 HD1 PHE 13 HD1 PHE 13 11.374 -0.605 -4.950 69 HD2 PHE 13 HD2 PHE 13 8.700 -1.553 -8.123 70 HE1 PHE 13 HE1 PHE 13 13.250 -1.523 -6.251 71 HE2 PHE 13 HE2 PHE 13 10.571 -2.474 -9.429 72 HZ PHE 13 HZ PHE 13 12.849 -2.460 -8.493 73 H LYS 14 H LYS 14 6.209 1.639 -6.525 74 HA LYS 14 HA LYS 14 5.236 1.976 -3.788 75 HB2 LYS 14 1HB LYS 14 5.859 4.219 -4.403 76 HB3 LYS 14 2HB LYS 14 5.044 4.073 -5.955 77 HG2 LYS 14 1HG LYS 14 2.927 3.668 -4.496 78 HG3 LYS 14 2HG LYS 14 3.884 4.446 -3.233 79 HD2 LYS 14 1HD LYS 14 4.269 6.346 -4.819 80 HD3 LYS 14 2HD LYS 14 3.113 5.587 -5.915 81 HE2 LYS 14 1HE LYS 14 1.426 5.675 -4.083 82 HE3 LYS 14 2HE LYS 14 2.586 6.588 -3.120 83 HZ1 LYS 14 3HZ LYS 14 0.792 7.570 -5.001 84 HZ2 LYS 14 1HZ LYS 14 2.337 7.776 -5.661 85 HZ3 LYS 14 2HZ LYS 14 1.970 8.433 -4.147 86 H CYS 15 H CYS 15 3.309 1.053 -3.517 87 HA CYS 15 HA CYS 15 1.985 -0.201 -5.719 88 HB2 CYS 15 1HB CYS 15 2.097 -1.160 -3.411 89 HB3 CYS 15 2HB CYS 15 1.002 0.110 -2.876 90 H GLU 16 H GLU 16 0.729 0.855 -7.098 91 HA GLU 16 HA GLU 16 -0.403 3.405 -6.547 92 HB2 GLU 16 1HB GLU 16 -1.069 1.498 -8.796 93 HB3 GLU 16 2HB GLU 16 -1.429 3.218 -8.747 94 HG2 GLU 16 1HG GLU 16 1.308 1.971 -8.826 95 HG3 GLU 16 2HG GLU 16 0.487 2.786 -10.156 96 H GLU 17 H GLU 17 -1.497 0.155 -6.140 97 HA GLU 17 HA GLU 17 -4.261 0.469 -6.229 98 HB2 GLU 17 1HB GLU 17 -2.745 -1.316 -4.320 99 HB3 GLU 17 2HB GLU 17 -4.398 -1.529 -4.876 100 HG2 GLU 17 1HG GLU 17 -3.288 -1.602 -7.236 101 HG3 GLU 17 2HG GLU 17 -1.837 -2.003 -6.319 102 H CYS 18 H CYS 18 -2.079 0.764 -3.430 103 HA CYS 18 HA CYS 18 -4.189 2.309 -2.071 104 HB2 CYS 18 1HB CYS 18 -3.174 1.521 0.070 105 HB3 CYS 18 2HB CYS 18 -3.868 0.225 -0.900 106 H GLY 19 H GLY 19 -0.726 1.947 -2.645 107 HA2 GLY 19 1HA GLY 19 0.399 4.118 -3.160 108 HA3 GLY 19 2HA GLY 19 -0.368 4.725 -1.700 109 H LYS 20 H LYS 20 0.673 1.495 -1.484 110 HA LYS 20 HA LYS 20 2.494 2.048 0.599 111 HB2 LYS 20 1HB LYS 20 1.673 -0.364 -0.934 112 HB3 LYS 20 2HB LYS 20 3.190 -0.451 -0.049 113 HG2 LYS 20 1HG LYS 20 1.755 0.467 1.929 114 HG3 LYS 20 2HG LYS 20 0.408 -0.167 0.979 115 HD2 LYS 20 1HD LYS 20 0.880 -2.042 2.171 116 HD3 LYS 20 2HD LYS 20 2.035 -2.282 0.858 117 HE2 LYS 20 1HE LYS 20 2.671 -0.939 3.483 118 HE3 LYS 20 2HE LYS 20 3.003 -2.632 3.118 119 HZ1 LYS 20 3HZ LYS 20 4.953 -1.239 2.782 120 HZ2 LYS 20 1HZ LYS 20 4.117 -0.304 1.647 121 HZ3 LYS 20 2HZ LYS 20 4.450 -1.930 1.322 122 H ARG 21 H ARG 21 4.767 0.797 0.396 123 HA ARG 21 HA ARG 21 6.088 1.424 -2.120 124 HB2 ARG 21 1HB ARG 21 6.969 2.650 0.500 125 HB3 ARG 21 2HB ARG 21 7.834 2.766 -1.027 126 HG2 ARG 21 1HG ARG 21 5.576 3.785 -1.876 127 HG3 ARG 21 2HG ARG 21 5.326 4.111 -0.160 128 HD2 ARG 21 1HD ARG 21 7.819 5.015 -0.377 129 HD3 ARG 21 2HD ARG 21 7.310 5.250 -2.049 130 HE ARG 21 HE ARG 21 5.423 6.294 -0.173 131 HH11 ARG 21 1HH1 ARG 21 8.415 6.950 -1.827 132 HH12 ARG 21 2HH1 ARG 21 8.243 8.671 -1.731 133 HH21 ARG 21 1HH2 ARG 21 5.184 8.559 -0.039 134 HH22 ARG 21 2HH2 ARG 21 6.405 9.585 -0.712 135 H PHE 22 H PHE 22 8.126 0.413 -2.365 136 HA PHE 22 HA PHE 22 9.044 -1.359 -0.249 137 HB2 PHE 22 1HB PHE 22 8.432 -2.489 -2.980 138 HB3 PHE 22 2HB PHE 22 8.910 -3.369 -1.532 139 HD1 PHE 22 HD2 PHE 22 6.178 -1.358 -3.016 140 HD2 PHE 22 HD1 PHE 22 7.310 -4.168 -0.026 141 HE1 PHE 22 HE2 PHE 22 3.809 -1.708 -2.453 142 HE2 PHE 22 HE1 PHE 22 4.942 -4.523 0.541 143 HZ PHE 22 HZ PHE 22 3.188 -3.291 -0.671 144 H THR 23 H THR 23 11.166 -2.203 -0.612 145 HA THR 23 HA THR 23 12.825 -0.386 -2.111 146 HB THR 23 HB THR 23 13.466 -1.272 0.143 147 HG1 THR 23 HG1 THR 23 15.485 -2.111 -1.605 148 HG21 THR 23 3HG2 THR 23 14.698 -3.587 -0.140 149 HG22 THR 23 1HG2 THR 23 13.497 -3.816 -1.410 150 HG23 THR 23 2HG2 THR 23 12.980 -3.515 0.248 151 H GLN 24 H GLN 24 11.243 -3.274 -2.798 152 HA GLN 24 HA GLN 24 12.778 -3.571 -5.261 153 HB2 GLN 24 1HB GLN 24 12.620 -5.572 -3.084 154 HB3 GLN 24 2HB GLN 24 12.397 -6.186 -4.716 155 HG2 GLN 24 1HG GLN 24 14.771 -4.655 -3.680 156 HG3 GLN 24 2HG GLN 24 14.708 -6.372 -4.075 157 HE21 GLN 24 1HE2 GLN 24 13.233 -6.198 -6.448 158 HE22 GLN 24 2HE2 GLN 24 14.219 -5.441 -7.648 159 H ASN 25 H ASN 25 11.658 -4.850 -6.891 160 HA ASN 25 HA ASN 25 8.908 -4.199 -7.032 161 HB2 ASN 25 1HB ASN 25 8.916 -5.351 -9.160 162 HB3 ASN 25 2HB ASN 25 10.405 -4.422 -9.011 163 HD21 ASN 25 1HD2 ASN 25 12.354 -5.526 -8.575 164 HD22 ASN 25 2HD2 ASN 25 12.529 -7.203 -8.954 165 H SER 26 H SER 26 10.574 -7.332 -6.719 166 HA SER 26 HA SER 26 8.514 -9.083 -6.666 167 HB2 SER 26 1HB SER 26 10.838 -9.081 -4.725 168 HB3 SER 26 2HB SER 26 9.830 -10.474 -5.118 169 HG SER 26 HG SER 26 11.892 -10.242 -6.295 170 H GLN 27 H GLN 27 9.442 -6.899 -4.059 171 HA GLN 27 HA GLN 27 7.642 -7.929 -2.128 172 HB2 GLN 27 1HB GLN 27 8.926 -5.203 -2.363 173 HB3 GLN 27 2HB GLN 27 8.042 -5.771 -0.953 174 HG2 GLN 27 1HG GLN 27 9.703 -7.687 -0.872 175 HG3 GLN 27 2HG GLN 27 10.653 -6.768 -2.038 176 HE21 GLN 27 1HE2 GLN 27 10.560 -4.263 -1.251 177 HE22 GLN 27 2HE2 GLN 27 11.170 -4.063 0.353 178 H LEU 28 H LEU 28 7.473 -5.009 -4.169 179 HA LEU 28 HA LEU 28 4.906 -4.213 -3.423 180 HB2 LEU 28 1HB LEU 28 6.303 -2.704 -4.613 181 HB3 LEU 28 2HB LEU 28 6.456 -3.818 -5.970 182 HG LEU 28 HG LEU 28 4.156 -3.423 -6.604 183 HD11 LEU 28 1HD1 LEU 28 2.658 -2.065 -5.429 184 HD12 LEU 28 2HD1 LEU 28 3.931 -1.380 -4.418 185 HD13 LEU 28 3HD1 LEU 28 3.425 -3.053 -4.185 186 HD21 LEU 28 3HD2 LEU 28 5.584 -1.906 -7.651 187 HD22 LEU 28 1HD2 LEU 28 5.889 -1.016 -6.159 188 HD23 LEU 28 2HD2 LEU 28 4.323 -0.884 -6.960 189 H HIS 29 H HIS 29 5.886 -6.064 -6.311 190 HA HIS 29 HA HIS 29 3.335 -6.572 -7.300 191 HB2 HIS 29 1HB HIS 29 5.957 -8.014 -7.550 192 HB3 HIS 29 2HB HIS 29 4.499 -8.687 -8.274 193 HD1 HIS 29 HD1 HIS 29 6.876 -7.781 -10.015 194 HD2 HIS 29 HD2 HIS 29 3.594 -5.401 -9.108 195 HE1 HIS 29 HE1 HIS 29 6.770 -6.057 -11.843 196 H SER 30 H SER 30 5.083 -8.071 -4.691 197 HA SER 30 HA SER 30 3.367 -10.369 -4.507 198 HB2 SER 30 1HB SER 30 5.503 -10.789 -3.659 199 HB3 SER 30 2HB SER 30 5.583 -9.239 -2.822 200 HG SER 30 HG SER 30 4.854 -11.566 -1.830 201 H HIS 31 H HIS 31 3.497 -7.176 -3.098 202 HA HIS 31 HA HIS 31 1.534 -7.734 -1.068 203 HB2 HIS 31 1HB HIS 31 2.939 -6.020 -0.399 204 HB3 HIS 31 2HB HIS 31 3.002 -5.301 -2.005 205 HD1 HIS 31 HD1 HIS 31 0.964 -5.356 1.125 206 HD2 HIS 31 HD2 HIS 31 0.947 -3.488 -2.586 207 HE1 HIS 31 HE1 HIS 31 -0.724 -3.502 1.314 208 H GLN 32 H GLN 32 1.576 -6.191 -4.244 209 HA GLN 32 HA GLN 32 -0.930 -5.064 -4.329 210 HB2 GLN 32 1HB GLN 32 0.780 -6.357 -6.423 211 HB3 GLN 32 2HB GLN 32 -0.832 -5.790 -6.837 212 HG2 GLN 32 1HG GLN 32 -0.222 -3.542 -6.059 213 HG3 GLN 32 2HG GLN 32 1.405 -4.123 -5.710 214 HE21 GLN 32 1HE2 GLN 32 2.444 -2.813 -7.150 215 HE22 GLN 32 2HE2 GLN 32 2.284 -2.966 -8.863 216 H ARG 33 H ARG 33 -0.079 -8.415 -4.300 217 HA ARG 33 HA ARG 33 -2.347 -9.562 -5.450 218 HB2 ARG 33 1HB ARG 33 -0.901 -10.737 -3.083 219 HB3 ARG 33 2HB ARG 33 -1.713 -11.586 -4.392 220 HG2 ARG 33 1HG ARG 33 0.012 -10.711 -5.951 221 HG3 ARG 33 2HG ARG 33 0.858 -10.031 -4.559 222 HD2 ARG 33 1HD ARG 33 1.904 -12.098 -4.995 223 HD3 ARG 33 2HD ARG 33 0.866 -12.373 -3.596 224 HE ARG 33 HE ARG 33 -0.331 -13.013 -6.146 225 HH11 ARG 33 1HH1 ARG 33 1.513 -14.173 -3.430 226 HH12 ARG 33 2HH1 ARG 33 1.098 -15.835 -3.692 227 HH21 ARG 33 1HH2 ARG 33 -0.884 -15.198 -6.501 228 HH22 ARG 33 2HH2 ARG 33 -0.264 -16.417 -5.439 229 H VAL 34 H VAL 34 -1.845 -8.163 -2.292 230 HA VAL 34 HA VAL 34 -4.035 -9.247 -0.929 231 HB VAL 34 HB VAL 34 -3.859 -7.390 0.604 232 HG11 VAL 34 1HG1 VAL 34 -1.406 -8.705 -0.409 233 HG12 VAL 34 2HG1 VAL 34 -1.195 -7.369 0.725 234 HG13 VAL 34 3HG1 VAL 34 -2.156 -8.775 1.185 235 HG21 VAL 34 3HG2 VAL 34 -2.770 -6.034 -1.747 236 HG22 VAL 34 1HG2 VAL 34 -3.593 -5.373 -0.334 237 HG23 VAL 34 2HG2 VAL 34 -1.867 -5.727 -0.263 238 H HIS 35 H HIS 35 -3.828 -6.681 -3.281 239 HA HIS 35 HA HIS 35 -6.466 -5.657 -2.771 240 HB2 HIS 35 1HB HIS 35 -4.445 -5.180 -4.957 241 HB3 HIS 35 2HB HIS 35 -6.045 -4.445 -4.980 242 HD1 HIS 35 HD1 HIS 35 -6.581 -2.836 -2.886 243 HD2 HIS 35 HD2 HIS 35 -2.593 -3.844 -3.465 244 HE1 HIS 35 HE1 HIS 35 -5.264 -1.157 -1.556 245 H THR 36 H THR 36 -5.069 -8.137 -4.735 246 HA THR 36 HA THR 36 -7.502 -8.410 -6.334 247 HB THR 36 HB THR 36 -6.268 -10.093 -7.620 248 HG1 THR 36 HG1 THR 36 -4.491 -9.820 -5.491 249 HG21 THR 36 3HG2 THR 36 -4.210 -8.006 -7.512 250 HG22 THR 36 1HG2 THR 36 -5.856 -7.394 -7.659 251 HG23 THR 36 2HG2 THR 36 -5.227 -8.526 -8.856 252 H GLY 37 H GLY 37 -7.852 -8.943 -3.621 253 HA2 GLY 37 1HA GLY 37 -8.874 -11.626 -3.763 254 HA3 GLY 37 2HA GLY 37 -7.521 -11.473 -2.653 255 H GLU 38 H GLU 38 -7.729 -9.928 -0.885 256 HA GLU 38 HA GLU 38 -10.390 -10.038 0.240 257 HB2 GLU 38 1HB GLU 38 -7.700 -9.195 1.285 258 HB3 GLU 38 2HB GLU 38 -9.169 -8.861 2.192 259 HG2 GLU 38 1HG GLU 38 -9.629 -11.138 2.502 260 HG3 GLU 38 2HG GLU 38 -8.476 -11.625 1.260 261 H LYS 39 H LYS 39 -11.067 -7.996 1.539 262 HA LYS 39 HA LYS 39 -10.691 -5.613 -0.151 263 HB2 LYS 39 1HB LYS 39 -13.231 -6.805 0.925 264 HB3 LYS 39 2HB LYS 39 -13.130 -5.090 0.549 265 HG2 LYS 39 1HG LYS 39 -12.476 -7.250 -1.437 266 HG3 LYS 39 2HG LYS 39 -14.086 -6.551 -1.254 267 HD2 LYS 39 1HD LYS 39 -11.659 -4.845 -1.734 268 HD3 LYS 39 2HD LYS 39 -12.568 -5.568 -3.063 269 HE2 LYS 39 1HE LYS 39 -14.059 -4.052 -0.981 270 HE3 LYS 39 2HE LYS 39 -13.118 -3.146 -2.165 271 HZ1 LYS 39 3HZ LYS 39 -15.241 -5.127 -2.791 272 HZ2 LYS 39 1HZ LYS 39 -14.333 -4.266 -3.931 273 HZ3 LYS 39 2HZ LYS 39 -15.394 -3.446 -2.900 274 HA PRO 40 HA PRO 40 -9.726 -3.433 3.539 275 HB2 PRO 40 1HB PRO 40 -10.560 -0.937 2.872 276 HB3 PRO 40 2HB PRO 40 -9.110 -1.680 2.187 277 HG2 PRO 40 1HG PRO 40 -11.854 -1.449 1.014 278 HG3 PRO 40 2HG PRO 40 -10.281 -1.202 0.236 279 HD2 PRO 40 1HD PRO 40 -11.704 -3.488 -0.050 280 HD3 PRO 40 2HD PRO 40 -9.929 -3.461 -0.057 281 H SER 41 H SER 41 -10.645 -2.915 5.463 282 HA SER 41 HA SER 41 -13.302 -3.558 5.993 283 HB2 SER 41 1HB SER 41 -11.167 -2.105 7.505 284 HB3 SER 41 2HB SER 41 -12.815 -2.089 8.133 285 HG SER 41 HG SER 41 -12.734 -4.425 7.968 286 H GLY 42 H GLY 42 -11.804 -0.336 5.718 287 HA2 GLY 42 1HA GLY 42 -14.519 0.766 5.324 288 HA3 GLY 42 2HA GLY 42 -13.215 1.650 6.104 289 HA PRO 43 HA PRO 43 -13.452 2.434 1.419 290 HB2 PRO 43 1HB PRO 43 -14.502 4.936 1.500 291 HB3 PRO 43 2HB PRO 43 -15.497 3.479 1.389 292 HG2 PRO 43 1HG PRO 43 -14.830 5.139 3.789 293 HG3 PRO 43 2HG PRO 43 -16.385 4.431 3.316 294 HD2 PRO 43 1HD PRO 43 -14.786 3.312 5.193 295 HD3 PRO 43 2HD PRO 43 -15.826 2.347 4.125 296 H SER 44 H SER 44 -11.134 2.427 1.916 297 HA SER 44 HA SER 44 -9.887 4.803 2.923 298 HB2 SER 44 1HB SER 44 -8.744 2.367 1.538 299 HB3 SER 44 2HB SER 44 -7.768 3.665 2.225 300 HG SER 44 HG SER 44 -9.647 2.119 3.687 301 H SER 45 H SER 45 -9.847 3.221 -0.275 302 HA SER 45 HA SER 45 -9.534 5.886 -1.484 303 HB2 SER 45 1HB SER 45 -7.995 4.968 -3.135 304 HB3 SER 45 2HB SER 45 -7.374 4.662 -1.513 305 HG SER 45 HG SER 45 -8.712 2.568 -1.917 306 H GLY 46 H GLY 46 -11.925 5.592 -1.600 307 HA2 GLY 46 1HA GLY 46 -13.670 5.474 -3.132 308 HA3 GLY 46 2HA GLY 46 -12.616 4.586 -4.223 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -5.241 7.875 21.297 2 HA2 GLY 1 1HA GLY 1 -4.907 10.572 20.926 3 HA3 GLY 1 2HA GLY 1 -3.562 10.102 21.955 4 H SER 2 H SER 2 -4.022 10.923 18.984 5 HA SER 2 HA SER 2 -3.203 8.785 17.362 6 HB2 SER 2 1HB SER 2 -2.767 11.757 16.978 7 HB3 SER 2 2HB SER 2 -2.560 10.533 15.726 8 HG SER 2 HG SER 2 -4.890 11.551 16.861 9 H SER 3 H SER 3 -1.279 7.879 16.952 10 HA SER 3 HA SER 3 1.208 9.224 17.402 11 HB2 SER 3 1HB SER 3 0.598 8.578 19.725 12 HB3 SER 3 2HB SER 3 0.542 6.891 19.214 13 HG SER 3 HG SER 3 2.589 7.869 20.177 14 H GLY 4 H GLY 4 2.963 8.146 16.481 15 HA2 GLY 4 1HA GLY 4 3.157 5.501 15.731 16 HA3 GLY 4 2HA GLY 4 2.291 6.288 14.420 17 H SER 5 H SER 5 4.765 5.064 14.056 18 HA SER 5 HA SER 5 6.457 7.403 13.474 19 HB2 SER 5 1HB SER 5 7.227 4.747 14.649 20 HB3 SER 5 2HB SER 5 8.397 5.684 13.720 21 HG SER 5 HG SER 5 8.564 7.048 15.318 22 H SER 6 H SER 6 7.497 7.430 11.505 23 HA SER 6 HA SER 6 6.583 5.398 9.587 24 HB2 SER 6 1HB SER 6 5.980 7.824 9.202 25 HB3 SER 6 2HB SER 6 7.697 8.136 8.948 26 HG SER 6 HG SER 6 7.121 6.082 7.440 27 H GLY 7 H GLY 7 8.021 4.439 8.140 28 HA2 GLY 7 1HA GLY 7 10.755 4.282 9.120 29 HA3 GLY 7 2HA GLY 7 10.020 3.248 7.903 30 H SER 8 H SER 8 11.124 6.589 8.413 31 HA SER 8 HA SER 8 11.141 7.668 5.967 32 HB2 SER 8 1HB SER 8 12.144 8.784 7.902 33 HB3 SER 8 2HB SER 8 13.516 7.678 7.847 34 HG SER 8 HG SER 8 14.225 9.391 6.733 35 H GLY 9 H GLY 9 12.126 7.449 4.020 36 HA2 GLY 9 1HA GLY 9 14.505 6.348 3.324 37 HA3 GLY 9 2HA GLY 9 13.461 4.944 3.496 38 H GLU 10 H GLU 10 14.745 5.810 1.092 39 HA GLU 10 HA GLU 10 12.516 6.818 -0.525 40 HB2 GLU 10 1HB GLU 10 15.479 6.755 -0.862 41 HB3 GLU 10 2HB GLU 10 14.479 6.742 -2.307 42 HG2 GLU 10 1HG GLU 10 13.308 8.776 -1.225 43 HG3 GLU 10 2HG GLU 10 14.757 8.863 -0.225 44 H LYS 11 H LYS 11 11.328 5.462 -1.678 45 HA LYS 11 HA LYS 11 12.503 2.882 -2.481 46 HB2 LYS 11 1HB LYS 11 9.696 3.403 -1.487 47 HB3 LYS 11 2HB LYS 11 10.240 1.882 -2.183 48 HG2 LYS 11 1HG LYS 11 11.953 1.767 -0.358 49 HG3 LYS 11 2HG LYS 11 11.156 3.158 0.381 50 HD2 LYS 11 1HD LYS 11 9.009 1.707 0.166 51 HD3 LYS 11 2HD LYS 11 10.145 0.364 0.014 52 HE2 LYS 11 1HE LYS 11 11.095 0.834 2.152 53 HE3 LYS 11 2HE LYS 11 10.206 2.351 2.278 54 HZ1 LYS 11 3HZ LYS 11 8.454 0.144 1.870 55 HZ2 LYS 11 1HZ LYS 11 8.458 1.295 3.110 56 HZ3 LYS 11 2HZ LYS 11 9.417 -0.092 3.241 57 HA PRO 12 HA PRO 12 11.362 4.435 -6.500 58 HB2 PRO 12 1HB PRO 12 12.256 2.280 -7.888 59 HB3 PRO 12 2HB PRO 12 13.335 3.523 -7.243 60 HG2 PRO 12 1HG PRO 12 12.664 0.829 -6.123 61 HG3 PRO 12 2HG PRO 12 14.240 1.634 -6.231 62 HD2 PRO 12 1HD PRO 12 12.792 1.568 -3.944 63 HD3 PRO 12 2HD PRO 12 13.845 2.932 -4.367 64 H PHE 13 H PHE 13 10.207 1.632 -4.895 65 HA PHE 13 HA PHE 13 8.163 1.197 -6.963 66 HB2 PHE 13 1HB PHE 13 8.941 -0.611 -4.666 67 HB3 PHE 13 2HB PHE 13 7.792 -0.991 -5.945 68 HD1 PHE 13 HD2 PHE 13 8.555 -1.499 -8.193 69 HD2 PHE 13 HD1 PHE 13 11.312 -0.663 -5.060 70 HE1 PHE 13 HE2 PHE 13 10.380 -2.431 -9.555 71 HE2 PHE 13 HE1 PHE 13 13.142 -1.592 -6.418 72 HZ PHE 13 HZ PHE 13 12.677 -2.479 -8.668 73 H LYS 14 H LYS 14 6.056 1.550 -6.548 74 HA LYS 14 HA LYS 14 5.178 1.958 -3.790 75 HB2 LYS 14 1HB LYS 14 5.774 4.190 -4.556 76 HB3 LYS 14 2HB LYS 14 4.797 3.983 -6.003 77 HG2 LYS 14 1HG LYS 14 2.856 3.608 -4.313 78 HG3 LYS 14 2HG LYS 14 3.933 4.433 -3.184 79 HD2 LYS 14 1HD LYS 14 4.078 6.338 -4.707 80 HD3 LYS 14 2HD LYS 14 3.021 5.510 -5.853 81 HE2 LYS 14 1HE LYS 14 1.157 5.740 -4.492 82 HE3 LYS 14 2HE LYS 14 2.124 5.969 -3.036 83 HZ1 LYS 14 3HZ LYS 14 1.041 8.019 -3.847 84 HZ2 LYS 14 1HZ LYS 14 1.969 7.930 -5.259 85 HZ3 LYS 14 2HZ LYS 14 2.725 8.150 -3.762 86 H CYS 15 H CYS 15 3.266 1.034 -3.420 87 HA CYS 15 HA CYS 15 1.899 -0.337 -5.519 88 HB2 CYS 15 1HB CYS 15 2.077 -1.144 -3.145 89 HB3 CYS 15 2HB CYS 15 0.945 0.126 -2.688 90 H GLU 16 H GLU 16 1.019 1.049 -6.995 91 HA GLU 16 HA GLU 16 -0.270 3.460 -6.483 92 HB2 GLU 16 1HB GLU 16 -0.824 1.509 -8.726 93 HB3 GLU 16 2HB GLU 16 -1.288 3.204 -8.706 94 HG2 GLU 16 1HG GLU 16 1.049 3.865 -8.672 95 HG3 GLU 16 2HG GLU 16 1.539 2.172 -8.637 96 H GLU 17 H GLU 17 -1.371 0.215 -6.062 97 HA GLU 17 HA GLU 17 -4.134 0.531 -6.218 98 HB2 GLU 17 1HB GLU 17 -2.669 -1.242 -4.260 99 HB3 GLU 17 2HB GLU 17 -4.305 -1.460 -4.865 100 HG2 GLU 17 1HG GLU 17 -3.117 -1.543 -7.190 101 HG3 GLU 17 2HG GLU 17 -1.701 -1.948 -6.222 102 H CYS 18 H CYS 18 -2.027 0.808 -3.359 103 HA CYS 18 HA CYS 18 -4.160 2.373 -2.060 104 HB2 CYS 18 1HB CYS 18 -3.294 1.578 0.097 105 HB3 CYS 18 2HB CYS 18 -3.790 0.234 -0.926 106 H GLY 19 H GLY 19 -0.674 1.998 -2.511 107 HA2 GLY 19 1HA GLY 19 0.426 4.204 -3.033 108 HA3 GLY 19 2HA GLY 19 -0.335 4.773 -1.554 109 H LYS 20 H LYS 20 0.713 1.544 -1.407 110 HA LYS 20 HA LYS 20 2.556 2.066 0.667 111 HB2 LYS 20 1HB LYS 20 1.683 -0.317 -0.872 112 HB3 LYS 20 2HB LYS 20 3.235 -0.432 -0.054 113 HG2 LYS 20 1HG LYS 20 1.864 0.484 1.989 114 HG3 LYS 20 2HG LYS 20 0.501 -0.182 1.087 115 HD2 LYS 20 1HD LYS 20 1.263 -2.351 1.278 116 HD3 LYS 20 2HD LYS 20 2.942 -1.852 1.495 117 HE2 LYS 20 1HE LYS 20 0.768 -1.371 3.525 118 HE3 LYS 20 2HE LYS 20 1.838 -2.771 3.548 119 HZ1 LYS 20 3HZ LYS 20 2.319 -0.185 4.538 120 HZ2 LYS 20 1HZ LYS 20 3.437 -0.505 3.309 121 HZ3 LYS 20 2HZ LYS 20 3.311 -1.551 4.633 122 H ARG 21 H ARG 21 4.817 0.780 0.405 123 HA ARG 21 HA ARG 21 6.112 1.464 -2.109 124 HB2 ARG 21 1HB ARG 21 7.100 2.578 0.522 125 HB3 ARG 21 2HB ARG 21 7.860 2.788 -1.050 126 HG2 ARG 21 1HG ARG 21 5.607 3.864 -1.727 127 HG3 ARG 21 2HG ARG 21 5.351 4.011 0.013 128 HD2 ARG 21 1HD ARG 21 7.865 4.982 -1.313 129 HD3 ARG 21 2HD ARG 21 6.422 5.990 -1.204 130 HE ARG 21 HE ARG 21 8.201 5.247 0.954 131 HH11 ARG 21 1HH1 ARG 21 5.095 6.526 0.042 132 HH12 ARG 21 2HH1 ARG 21 4.832 7.323 1.558 133 HH21 ARG 21 1HH2 ARG 21 7.867 6.291 2.955 134 HH22 ARG 21 2HH2 ARG 21 6.410 7.189 3.214 135 H PHE 22 H PHE 22 8.210 0.506 -2.351 136 HA PHE 22 HA PHE 22 9.138 -1.332 -0.318 137 HB2 PHE 22 1HB PHE 22 8.401 -2.444 -3.026 138 HB3 PHE 22 2HB PHE 22 8.931 -3.336 -1.604 139 HD1 PHE 22 HD2 PHE 22 6.166 -1.247 -2.921 140 HD2 PHE 22 HD1 PHE 22 7.383 -4.167 -0.074 141 HE1 PHE 22 HE2 PHE 22 3.819 -1.574 -2.259 142 HE2 PHE 22 HE1 PHE 22 5.038 -4.499 0.593 143 HZ PHE 22 HZ PHE 22 3.252 -3.201 -0.499 144 H THR 23 H THR 23 11.252 -2.104 -0.693 145 HA THR 23 HA THR 23 12.828 -0.355 -2.369 146 HB THR 23 HB THR 23 13.580 -0.977 -0.086 147 HG1 THR 23 HG1 THR 23 15.548 -0.704 -0.815 148 HG21 THR 23 3HG2 THR 23 14.508 -3.190 0.324 149 HG22 THR 23 1HG2 THR 23 14.052 -3.703 -1.300 150 HG23 THR 23 2HG2 THR 23 12.805 -3.317 -0.114 151 H GLN 24 H GLN 24 11.292 -3.309 -2.784 152 HA GLN 24 HA GLN 24 12.844 -3.817 -5.210 153 HB2 GLN 24 1HB GLN 24 12.592 -5.627 -2.883 154 HB3 GLN 24 2HB GLN 24 12.369 -6.368 -4.461 155 HG2 GLN 24 1HG GLN 24 14.784 -4.901 -3.444 156 HG3 GLN 24 2HG GLN 24 14.651 -6.606 -3.874 157 HE21 GLN 24 1HE2 GLN 24 13.150 -6.203 -6.262 158 HE22 GLN 24 2HE2 GLN 24 14.217 -5.513 -7.432 159 H ASN 25 H ASN 25 11.687 -4.758 -6.885 160 HA ASN 25 HA ASN 25 8.940 -4.220 -6.993 161 HB2 ASN 25 1HB ASN 25 8.968 -5.418 -9.136 162 HB3 ASN 25 2HB ASN 25 10.354 -4.340 -8.996 163 HD21 ASN 25 1HD2 ASN 25 12.407 -5.272 -8.467 164 HD22 ASN 25 2HD2 ASN 25 12.751 -6.907 -8.907 165 H SER 26 H SER 26 10.657 -7.317 -6.656 166 HA SER 26 HA SER 26 8.593 -9.095 -6.677 167 HB2 SER 26 1HB SER 26 10.971 -9.099 -4.804 168 HB3 SER 26 2HB SER 26 9.931 -10.489 -5.111 169 HG SER 26 HG SER 26 10.542 -9.954 -7.443 170 H GLN 27 H GLN 27 9.443 -6.863 -4.112 171 HA GLN 27 HA GLN 27 7.681 -7.981 -2.164 172 HB2 GLN 27 1HB GLN 27 9.022 -5.282 -2.350 173 HB3 GLN 27 2HB GLN 27 8.072 -5.808 -0.968 174 HG2 GLN 27 1HG GLN 27 9.651 -7.770 -0.792 175 HG3 GLN 27 2HG GLN 27 10.667 -6.937 -1.967 176 HE21 GLN 27 1HE2 GLN 27 10.534 -4.363 -1.211 177 HE22 GLN 27 2HE2 GLN 27 11.180 -4.157 0.378 178 H LEU 28 H LEU 28 7.522 -5.022 -4.147 179 HA LEU 28 HA LEU 28 4.971 -4.210 -3.379 180 HB2 LEU 28 1HB LEU 28 6.343 -2.697 -4.575 181 HB3 LEU 28 2HB LEU 28 6.520 -3.816 -5.925 182 HG LEU 28 HG LEU 28 4.192 -3.454 -6.549 183 HD11 LEU 28 1HD1 LEU 28 3.852 -2.660 -3.935 184 HD12 LEU 28 2HD1 LEU 28 2.668 -2.502 -5.232 185 HD13 LEU 28 3HD1 LEU 28 3.730 -1.150 -4.838 186 HD21 LEU 28 3HD2 LEU 28 5.909 -1.993 -7.490 187 HD22 LEU 28 1HD2 LEU 28 5.703 -0.875 -6.142 188 HD23 LEU 28 2HD2 LEU 28 4.382 -1.134 -7.282 189 H HIS 29 H HIS 29 5.912 -6.103 -6.251 190 HA HIS 29 HA HIS 29 3.327 -6.572 -7.207 191 HB2 HIS 29 1HB HIS 29 5.835 -8.236 -7.491 192 HB3 HIS 29 2HB HIS 29 4.356 -8.514 -8.406 193 HD1 HIS 29 HD1 HIS 29 4.828 -7.759 -10.713 194 HD2 HIS 29 HD2 HIS 29 6.314 -5.105 -7.883 195 HE1 HIS 29 HE1 HIS 29 5.753 -5.824 -12.026 196 H SER 30 H SER 30 5.126 -8.079 -4.645 197 HA SER 30 HA SER 30 3.423 -10.389 -4.452 198 HB2 SER 30 1HB SER 30 5.764 -9.318 -2.961 199 HB3 SER 30 2HB SER 30 4.690 -10.413 -2.092 200 HG SER 30 HG SER 30 6.404 -11.492 -3.211 201 H HIS 31 H HIS 31 3.403 -7.165 -3.246 202 HA HIS 31 HA HIS 31 1.535 -7.763 -1.101 203 HB2 HIS 31 1HB HIS 31 2.887 -6.052 -0.377 204 HB3 HIS 31 2HB HIS 31 3.065 -5.367 -1.989 205 HD1 HIS 31 HD1 HIS 31 0.575 -5.517 0.853 206 HD2 HIS 31 HD2 HIS 31 1.388 -3.275 -2.549 207 HE1 HIS 31 HE1 HIS 31 -0.986 -3.548 0.956 208 H GLN 32 H GLN 32 1.561 -6.093 -4.222 209 HA GLN 32 HA GLN 32 -0.970 -5.018 -4.254 210 HB2 GLN 32 1HB GLN 32 0.781 -6.148 -6.407 211 HB3 GLN 32 2HB GLN 32 -0.846 -5.606 -6.799 212 HG2 GLN 32 1HG GLN 32 -0.331 -3.383 -5.985 213 HG3 GLN 32 2HG GLN 32 1.279 -3.914 -5.503 214 HE21 GLN 32 1HE2 GLN 32 1.873 -2.074 -6.900 215 HE22 GLN 32 2HE2 GLN 32 2.073 -2.367 -8.591 216 H ARG 33 H ARG 33 -0.095 -8.314 -4.169 217 HA ARG 33 HA ARG 33 -2.278 -9.495 -5.484 218 HB2 ARG 33 1HB ARG 33 -0.932 -10.697 -3.075 219 HB3 ARG 33 2HB ARG 33 -1.629 -11.522 -4.462 220 HG2 ARG 33 1HG ARG 33 0.191 -10.388 -5.839 221 HG3 ARG 33 2HG ARG 33 0.952 -10.007 -4.293 222 HD2 ARG 33 1HD ARG 33 1.887 -12.050 -5.187 223 HD3 ARG 33 2HD ARG 33 0.954 -12.406 -3.734 224 HE ARG 33 HE ARG 33 -0.849 -12.836 -5.669 225 HH11 ARG 33 1HH1 ARG 33 2.447 -13.892 -5.289 226 HH12 ARG 33 2HH1 ARG 33 2.210 -15.373 -6.155 227 HH21 ARG 33 1HH2 ARG 33 -1.174 -14.783 -6.812 228 HH22 ARG 33 2HH2 ARG 33 0.150 -15.878 -7.022 229 H VAL 34 H VAL 34 -1.937 -8.118 -2.298 230 HA VAL 34 HA VAL 34 -4.174 -9.274 -1.056 231 HB VAL 34 HB VAL 34 -4.043 -7.526 0.571 232 HG11 VAL 34 1HG1 VAL 34 -1.553 -8.707 -0.475 233 HG12 VAL 34 2HG1 VAL 34 -1.357 -7.369 0.659 234 HG13 VAL 34 3HG1 VAL 34 -2.269 -8.803 1.134 235 HG21 VAL 34 3HG2 VAL 34 -2.496 -6.023 -1.528 236 HG22 VAL 34 1HG2 VAL 34 -4.013 -5.563 -0.754 237 HG23 VAL 34 2HG2 VAL 34 -2.512 -5.558 0.173 238 H HIS 35 H HIS 35 -3.859 -6.590 -3.274 239 HA HIS 35 HA HIS 35 -6.503 -5.573 -2.856 240 HB2 HIS 35 1HB HIS 35 -4.395 -5.090 -4.954 241 HB3 HIS 35 2HB HIS 35 -5.993 -4.358 -5.061 242 HD1 HIS 35 HD1 HIS 35 -6.572 -2.518 -3.325 243 HD2 HIS 35 HD2 HIS 35 -2.698 -3.988 -3.035 244 HE1 HIS 35 HE1 HIS 35 -5.348 -0.898 -1.842 245 H THR 36 H THR 36 -5.143 -8.133 -4.686 246 HA THR 36 HA THR 36 -7.456 -8.302 -6.466 247 HB THR 36 HB THR 36 -6.234 -10.153 -7.557 248 HG1 THR 36 HG1 THR 36 -4.268 -9.552 -5.583 249 HG21 THR 36 3HG2 THR 36 -5.782 -7.518 -7.837 250 HG22 THR 36 1HG2 THR 36 -4.964 -8.745 -8.804 251 HG23 THR 36 2HG2 THR 36 -4.160 -8.051 -7.395 252 H GLY 37 H GLY 37 -7.929 -8.734 -3.697 253 HA2 GLY 37 1HA GLY 37 -8.634 -11.604 -3.743 254 HA3 GLY 37 2HA GLY 37 -8.097 -10.795 -2.278 255 H GLU 38 H GLU 38 -9.680 -10.311 -0.926 256 HA GLU 38 HA GLU 38 -12.216 -9.314 -1.992 257 HB2 GLU 38 1HB GLU 38 -12.247 -11.853 -1.469 258 HB3 GLU 38 2HB GLU 38 -12.236 -11.351 0.216 259 HG2 GLU 38 1HG GLU 38 -14.488 -11.704 -0.340 260 HG3 GLU 38 2HG GLU 38 -14.267 -9.955 -0.310 261 H LYS 39 H LYS 39 -12.203 -7.317 -1.163 262 HA LYS 39 HA LYS 39 -12.195 -7.035 1.735 263 HB2 LYS 39 1HB LYS 39 -10.569 -5.239 1.745 264 HB3 LYS 39 2HB LYS 39 -9.844 -6.682 1.048 265 HG2 LYS 39 1HG LYS 39 -9.118 -5.161 -0.462 266 HG3 LYS 39 2HG LYS 39 -10.672 -5.550 -1.203 267 HD2 LYS 39 1HD LYS 39 -10.821 -3.273 -1.210 268 HD3 LYS 39 2HD LYS 39 -11.498 -3.595 0.388 269 HE2 LYS 39 1HE LYS 39 -8.555 -3.213 0.118 270 HE3 LYS 39 2HE LYS 39 -9.604 -1.799 0.044 271 HZ1 LYS 39 3HZ LYS 39 -10.561 -3.090 2.194 272 HZ2 LYS 39 1HZ LYS 39 -9.413 -1.848 2.258 273 HZ3 LYS 39 2HZ LYS 39 -8.914 -3.464 2.299 274 HA PRO 40 HA PRO 40 -15.479 -4.259 0.778 275 HB2 PRO 40 1HB PRO 40 -15.591 -2.921 3.138 276 HB3 PRO 40 2HB PRO 40 -16.174 -4.578 2.945 277 HG2 PRO 40 1HG PRO 40 -13.574 -3.603 4.062 278 HG3 PRO 40 2HG PRO 40 -14.639 -4.886 4.664 279 HD2 PRO 40 1HD PRO 40 -12.401 -5.404 3.231 280 HD3 PRO 40 2HD PRO 40 -13.848 -6.429 3.145 281 H SER 41 H SER 41 -15.629 -2.326 -0.199 282 HA SER 41 HA SER 41 -13.341 -0.705 -0.568 283 HB2 SER 41 1HB SER 41 -14.949 0.852 -1.716 284 HB3 SER 41 2HB SER 41 -14.998 -0.808 -2.311 285 HG SER 41 HG SER 41 -16.849 0.542 -0.666 286 H GLY 42 H GLY 42 -13.424 1.729 -0.211 287 HA2 GLY 42 1HA GLY 42 -14.915 2.661 2.070 288 HA3 GLY 42 2HA GLY 42 -13.215 2.388 2.419 289 HA PRO 43 HA PRO 43 -12.393 6.476 1.045 290 HB2 PRO 43 1HB PRO 43 -9.763 6.224 0.422 291 HB3 PRO 43 2HB PRO 43 -10.356 6.262 2.086 292 HG2 PRO 43 1HG PRO 43 -9.594 3.908 0.401 293 HG3 PRO 43 2HG PRO 43 -9.226 4.230 2.106 294 HD2 PRO 43 1HD PRO 43 -11.214 2.561 1.335 295 HD3 PRO 43 2HD PRO 43 -11.306 3.535 2.817 296 H SER 44 H SER 44 -11.422 7.673 -0.835 297 HA SER 44 HA SER 44 -12.040 6.234 -3.324 298 HB2 SER 44 1HB SER 44 -13.456 8.192 -2.881 299 HB3 SER 44 2HB SER 44 -12.022 9.212 -2.770 300 HG SER 44 HG SER 44 -11.980 7.831 -5.070 301 H SER 45 H SER 45 -10.577 6.077 -4.938 302 HA SER 45 HA SER 45 -7.886 6.123 -4.503 303 HB2 SER 45 1HB SER 45 -9.273 6.680 -7.137 304 HB3 SER 45 2HB SER 45 -7.596 6.168 -6.953 305 HG SER 45 HG SER 45 -8.507 4.282 -5.837 306 H GLY 46 H GLY 46 -6.254 7.539 -5.752 307 HA2 GLY 46 1HA GLY 46 -6.769 10.304 -4.939 308 HA3 GLY 46 2HA GLY 46 -5.197 9.605 -5.297 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -1.197 10.977 21.632 2 HA2 GLY 1 1HA GLY 1 -2.156 8.873 20.644 3 HA3 GLY 1 2HA GLY 1 -2.446 9.841 19.207 4 H SER 2 H SER 2 -1.045 9.425 17.649 5 HA SER 2 HA SER 2 1.794 9.403 18.196 6 HB2 SER 2 1HB SER 2 0.277 6.932 17.484 7 HB3 SER 2 2HB SER 2 1.875 7.161 16.775 8 HG SER 2 HG SER 2 1.801 6.031 18.850 9 H SER 3 H SER 3 2.561 10.732 16.705 10 HA SER 3 HA SER 3 1.191 11.106 14.187 11 HB2 SER 3 1HB SER 3 2.819 12.897 13.805 12 HB3 SER 3 2HB SER 3 2.116 13.038 15.416 13 HG SER 3 HG SER 3 4.513 13.218 15.162 14 H GLY 4 H GLY 4 2.662 11.326 12.178 15 HA2 GLY 4 1HA GLY 4 4.694 10.469 11.104 16 HA3 GLY 4 2HA GLY 4 4.533 9.040 12.113 17 H SER 5 H SER 5 3.286 10.749 9.328 18 HA SER 5 HA SER 5 1.756 8.347 8.579 19 HB2 SER 5 1HB SER 5 1.413 11.164 7.527 20 HB3 SER 5 2HB SER 5 0.382 9.777 7.177 21 HG SER 5 HG SER 5 0.306 9.823 9.699 22 H SER 6 H SER 6 3.912 10.865 7.324 23 HA SER 6 HA SER 6 4.205 9.727 4.745 24 HB2 SER 6 1HB SER 6 4.722 12.061 5.074 25 HB3 SER 6 2HB SER 6 5.945 11.668 6.282 26 HG SER 6 HG SER 6 7.051 11.988 4.417 27 H GLY 7 H GLY 7 6.442 9.785 7.529 28 HA2 GLY 7 1HA GLY 7 7.948 8.195 8.250 29 HA3 GLY 7 2HA GLY 7 7.229 7.068 7.108 30 H SER 8 H SER 8 9.916 8.985 7.817 31 HA SER 8 HA SER 8 10.987 9.715 5.398 32 HB2 SER 8 1HB SER 8 12.016 10.178 7.617 33 HB3 SER 8 2HB SER 8 12.539 8.496 7.695 34 HG SER 8 HG SER 8 14.103 10.091 6.866 35 H GLY 9 H GLY 9 12.835 8.672 4.217 36 HA2 GLY 9 1HA GLY 9 13.920 6.471 3.773 37 HA3 GLY 9 2HA GLY 9 12.310 5.780 3.908 38 H GLU 10 H GLU 10 13.937 5.390 1.675 39 HA GLU 10 HA GLU 10 12.383 6.822 -0.372 40 HB2 GLU 10 1HB GLU 10 14.388 6.812 -1.827 41 HB3 GLU 10 2HB GLU 10 14.601 7.786 -0.378 42 HG2 GLU 10 1HG GLU 10 16.583 6.689 -0.382 43 HG3 GLU 10 2HG GLU 10 15.626 5.543 0.556 44 H LYS 11 H LYS 11 11.400 5.546 -1.803 45 HA LYS 11 HA LYS 11 12.434 2.854 -2.297 46 HB2 LYS 11 1HB LYS 11 9.640 3.501 -1.358 47 HB3 LYS 11 2HB LYS 11 10.058 1.981 -2.139 48 HG2 LYS 11 1HG LYS 11 11.433 1.317 -0.360 49 HG3 LYS 11 2HG LYS 11 11.489 2.948 0.315 50 HD2 LYS 11 1HD LYS 11 9.219 2.819 1.020 51 HD3 LYS 11 2HD LYS 11 8.955 1.329 0.111 52 HE2 LYS 11 1HE LYS 11 9.196 0.650 2.347 53 HE3 LYS 11 2HE LYS 11 10.748 0.296 1.590 54 HZ1 LYS 11 3HZ LYS 11 10.503 1.612 3.883 55 HZ2 LYS 11 1HZ LYS 11 10.499 2.920 2.810 56 HZ3 LYS 11 2HZ LYS 11 11.800 1.839 2.821 57 HA PRO 12 HA PRO 12 11.530 4.310 -6.408 58 HB2 PRO 12 1HB PRO 12 12.405 2.082 -7.690 59 HB3 PRO 12 2HB PRO 12 13.500 3.303 -7.031 60 HG2 PRO 12 1HG PRO 12 12.675 0.672 -5.865 61 HG3 PRO 12 2HG PRO 12 14.284 1.415 -5.922 62 HD2 PRO 12 1HD PRO 12 12.730 1.473 -3.705 63 HD3 PRO 12 2HD PRO 12 13.854 2.784 -4.118 64 H PHE 13 H PHE 13 10.272 1.495 -4.844 65 HA PHE 13 HA PHE 13 8.252 1.162 -6.955 66 HB2 PHE 13 1HB PHE 13 8.954 -0.723 -4.694 67 HB3 PHE 13 2HB PHE 13 7.820 -1.044 -6.002 68 HD1 PHE 13 HD2 PHE 13 8.611 -1.508 -8.250 69 HD2 PHE 13 HD1 PHE 13 11.330 -0.812 -5.050 70 HE1 PHE 13 HE2 PHE 13 10.440 -2.441 -9.606 71 HE2 PHE 13 HE1 PHE 13 13.164 -1.742 -6.402 72 HZ PHE 13 HZ PHE 13 12.720 -2.560 -8.682 73 H LYS 14 H LYS 14 6.155 1.576 -6.570 74 HA LYS 14 HA LYS 14 5.235 1.920 -3.815 75 HB2 LYS 14 1HB LYS 14 5.854 4.159 -4.443 76 HB3 LYS 14 2HB LYS 14 5.013 4.014 -5.981 77 HG2 LYS 14 1HG LYS 14 2.927 3.602 -4.456 78 HG3 LYS 14 2HG LYS 14 3.911 4.429 -3.247 79 HD2 LYS 14 1HD LYS 14 4.234 6.274 -4.928 80 HD3 LYS 14 2HD LYS 14 3.023 5.473 -5.932 81 HE2 LYS 14 1HE LYS 14 1.723 6.983 -4.786 82 HE3 LYS 14 2HE LYS 14 1.586 5.564 -3.750 83 HZ1 LYS 14 3HZ LYS 14 2.376 6.776 -2.093 84 HZ2 LYS 14 1HZ LYS 14 2.586 8.112 -3.109 85 HZ3 LYS 14 2HZ LYS 14 3.833 6.985 -2.926 86 H CYS 15 H CYS 15 3.294 1.035 -3.500 87 HA CYS 15 HA CYS 15 1.929 -0.235 -5.671 88 HB2 CYS 15 1HB CYS 15 2.076 -1.164 -3.346 89 HB3 CYS 15 2HB CYS 15 0.979 0.110 -2.821 90 H GLU 16 H GLU 16 0.707 0.862 -7.052 91 HA GLU 16 HA GLU 16 -0.421 3.406 -6.483 92 HB2 GLU 16 1HB GLU 16 -1.100 1.516 -8.742 93 HB3 GLU 16 2HB GLU 16 -1.449 3.237 -8.684 94 HG2 GLU 16 1HG GLU 16 0.981 3.686 -8.613 95 HG3 GLU 16 2HG GLU 16 1.271 1.958 -8.801 96 H GLU 17 H GLU 17 -1.523 0.162 -6.079 97 HA GLU 17 HA GLU 17 -4.290 0.501 -6.161 98 HB2 GLU 17 1HB GLU 17 -2.781 -1.335 -4.296 99 HB3 GLU 17 2HB GLU 17 -4.439 -1.522 -4.848 100 HG2 GLU 17 1HG GLU 17 -3.323 -1.548 -7.216 101 HG3 GLU 17 2HG GLU 17 -1.889 -2.010 -6.300 102 H CYS 18 H CYS 18 -2.087 0.721 -3.373 103 HA CYS 18 HA CYS 18 -4.180 2.242 -1.961 104 HB2 CYS 18 1HB CYS 18 -3.203 1.414 0.146 105 HB3 CYS 18 2HB CYS 18 -3.770 0.095 -0.874 106 H GLY 19 H GLY 19 -0.737 1.937 -2.647 107 HA2 GLY 19 1HA GLY 19 0.384 4.096 -3.130 108 HA3 GLY 19 2HA GLY 19 -0.390 4.707 -1.676 109 H LYS 20 H LYS 20 0.672 1.486 -1.436 110 HA LYS 20 HA LYS 20 2.482 2.062 0.649 111 HB2 LYS 20 1HB LYS 20 1.646 -0.352 -0.855 112 HB3 LYS 20 2HB LYS 20 3.203 -0.441 -0.041 113 HG2 LYS 20 1HG LYS 20 1.768 0.532 1.972 114 HG3 LYS 20 2HG LYS 20 0.471 -0.279 1.089 115 HD2 LYS 20 1HD LYS 20 1.364 -2.367 1.427 116 HD3 LYS 20 2HD LYS 20 3.014 -1.757 1.568 117 HE2 LYS 20 1HE LYS 20 2.189 -2.565 3.716 118 HE3 LYS 20 2HE LYS 20 2.486 -0.828 3.765 119 HZ1 LYS 20 3HZ LYS 20 -0.110 -2.239 3.656 120 HZ2 LYS 20 1HZ LYS 20 0.027 -0.602 3.252 121 HZ3 LYS 20 2HZ LYS 20 0.435 -1.126 4.807 122 H ARG 21 H ARG 21 4.759 0.774 0.425 123 HA ARG 21 HA ARG 21 6.081 1.477 -2.072 124 HB2 ARG 21 1HB ARG 21 6.951 2.596 0.599 125 HB3 ARG 21 2HB ARG 21 7.861 2.730 -0.900 126 HG2 ARG 21 1HG ARG 21 5.688 3.843 -1.801 127 HG3 ARG 21 2HG ARG 21 5.336 4.091 -0.089 128 HD2 ARG 21 1HD ARG 21 7.986 4.870 -1.250 129 HD3 ARG 21 2HD ARG 21 6.590 5.939 -1.384 130 HE ARG 21 HE ARG 21 8.097 5.326 1.007 131 HH11 ARG 21 1HH1 ARG 21 5.153 6.614 -0.331 132 HH12 ARG 21 2HH1 ARG 21 4.765 7.543 1.079 133 HH21 ARG 21 1HH2 ARG 21 7.597 6.545 2.869 134 HH22 ARG 21 2HH2 ARG 21 6.156 7.504 2.898 135 H PHE 22 H PHE 22 8.207 0.545 -2.279 136 HA PHE 22 HA PHE 22 9.089 -1.339 -0.269 137 HB2 PHE 22 1HB PHE 22 8.416 -2.395 -3.016 138 HB3 PHE 22 2HB PHE 22 8.913 -3.315 -1.601 139 HD1 PHE 22 HD2 PHE 22 6.168 -1.297 -3.030 140 HD2 PHE 22 HD1 PHE 22 7.340 -4.085 -0.035 141 HE1 PHE 22 HE2 PHE 22 3.807 -1.640 -2.430 142 HE2 PHE 22 HE1 PHE 22 4.980 -4.433 0.569 143 HZ PHE 22 HZ PHE 22 3.210 -3.209 -0.628 144 H THR 23 H THR 23 11.199 -2.179 -0.678 145 HA THR 23 HA THR 23 12.842 -0.349 -2.182 146 HB THR 23 HB THR 23 13.530 -1.237 0.046 147 HG1 THR 23 HG1 THR 23 15.549 -0.988 -0.584 148 HG21 THR 23 3HG2 THR 23 14.025 -3.803 -1.468 149 HG22 THR 23 1HG2 THR 23 12.728 -3.554 -0.300 150 HG23 THR 23 2HG2 THR 23 14.411 -3.489 0.224 151 H GLN 24 H GLN 24 11.280 -3.279 -2.828 152 HA GLN 24 HA GLN 24 12.749 -3.533 -5.339 153 HB2 GLN 24 1HB GLN 24 12.661 -5.550 -3.172 154 HB3 GLN 24 2HB GLN 24 12.416 -6.154 -4.805 155 HG2 GLN 24 1HG GLN 24 14.794 -4.636 -3.763 156 HG3 GLN 24 2HG GLN 24 14.733 -6.327 -4.256 157 HE21 GLN 24 1HE2 GLN 24 13.215 -6.025 -6.589 158 HE22 GLN 24 2HE2 GLN 24 14.175 -5.192 -7.759 159 H ASN 25 H ASN 25 11.606 -4.837 -6.943 160 HA ASN 25 HA ASN 25 8.845 -4.209 -7.018 161 HB2 ASN 25 1HB ASN 25 8.848 -5.080 -9.183 162 HB3 ASN 25 2HB ASN 25 10.520 -4.567 -8.973 163 HD21 ASN 25 1HD2 ASN 25 12.000 -6.291 -8.121 164 HD22 ASN 25 2HD2 ASN 25 11.798 -7.882 -8.765 165 H SER 26 H SER 26 10.574 -7.303 -6.690 166 HA SER 26 HA SER 26 8.550 -9.100 -6.622 167 HB2 SER 26 1HB SER 26 11.096 -8.916 -5.053 168 HB3 SER 26 2HB SER 26 9.956 -10.214 -4.697 169 HG SER 26 HG SER 26 11.228 -11.040 -6.256 170 H GLN 27 H GLN 27 9.452 -6.890 -4.024 171 HA GLN 27 HA GLN 27 7.655 -7.939 -2.096 172 HB2 GLN 27 1HB GLN 27 9.009 -5.252 -2.337 173 HB3 GLN 27 2HB GLN 27 8.023 -5.718 -0.958 174 HG2 GLN 27 1HG GLN 27 9.577 -7.701 -0.699 175 HG3 GLN 27 2HG GLN 27 10.632 -6.893 -1.857 176 HE21 GLN 27 1HE2 GLN 27 10.468 -4.300 -1.144 177 HE22 GLN 27 2HE2 GLN 27 11.073 -4.070 0.457 178 H LEU 28 H LEU 28 7.486 -5.010 -4.124 179 HA LEU 28 HA LEU 28 4.916 -4.222 -3.379 180 HB2 LEU 28 1HB LEU 28 6.325 -2.710 -4.561 181 HB3 LEU 28 2HB LEU 28 6.461 -3.813 -5.929 182 HG LEU 28 HG LEU 28 4.146 -3.405 -6.527 183 HD11 LEU 28 1HD1 LEU 28 2.673 -2.071 -5.327 184 HD12 LEU 28 2HD1 LEU 28 3.962 -1.313 -4.393 185 HD13 LEU 28 3HD1 LEU 28 3.504 -2.985 -4.067 186 HD21 LEU 28 3HD2 LEU 28 4.423 -1.275 -7.425 187 HD22 LEU 28 1HD2 LEU 28 6.077 -1.834 -7.177 188 HD23 LEU 28 2HD2 LEU 28 5.349 -0.703 -6.036 189 H HIS 29 H HIS 29 5.900 -6.040 -6.288 190 HA HIS 29 HA HIS 29 3.335 -6.558 -7.253 191 HB2 HIS 29 1HB HIS 29 5.997 -7.882 -7.607 192 HB3 HIS 29 2HB HIS 29 4.556 -8.657 -8.258 193 HD1 HIS 29 HD1 HIS 29 3.940 -7.964 -10.551 194 HD2 HIS 29 HD2 HIS 29 6.261 -5.097 -8.638 195 HE1 HIS 29 HE1 HIS 29 4.363 -6.182 -12.275 196 H SER 30 H SER 30 5.129 -8.043 -4.681 197 HA SER 30 HA SER 30 3.446 -10.381 -4.531 198 HB2 SER 30 1HB SER 30 5.671 -10.743 -3.812 199 HB3 SER 30 2HB SER 30 5.668 -9.294 -2.807 200 HG SER 30 HG SER 30 5.402 -11.364 -1.685 201 H HIS 31 H HIS 31 3.410 -7.177 -3.300 202 HA HIS 31 HA HIS 31 1.577 -7.818 -1.132 203 HB2 HIS 31 1HB HIS 31 2.943 -6.125 -0.389 204 HB3 HIS 31 2HB HIS 31 3.099 -5.403 -1.988 205 HD1 HIS 31 HD1 HIS 31 0.816 -5.492 0.994 206 HD2 HIS 31 HD2 HIS 31 1.245 -3.429 -2.587 207 HE1 HIS 31 HE1 HIS 31 -0.787 -3.560 1.135 208 H GLN 32 H GLN 32 1.576 -6.126 -4.237 209 HA GLN 32 HA GLN 32 -0.922 -4.998 -4.249 210 HB2 GLN 32 1HB GLN 32 0.740 -6.237 -6.414 211 HB3 GLN 32 2HB GLN 32 -0.876 -5.646 -6.780 212 HG2 GLN 32 1HG GLN 32 -0.214 -3.431 -5.892 213 HG3 GLN 32 2HG GLN 32 1.425 -4.047 -5.686 214 HE21 GLN 32 1HE2 GLN 32 2.241 -2.505 -7.115 215 HE22 GLN 32 2HE2 GLN 32 2.016 -2.634 -8.823 216 H ARG 33 H ARG 33 -0.092 -8.361 -4.391 217 HA ARG 33 HA ARG 33 -2.374 -9.462 -5.527 218 HB2 ARG 33 1HB ARG 33 -1.026 -10.745 -3.170 219 HB3 ARG 33 2HB ARG 33 -1.715 -11.507 -4.597 220 HG2 ARG 33 1HG ARG 33 0.170 -10.210 -5.850 221 HG3 ARG 33 2HG ARG 33 0.920 -10.163 -4.253 222 HD2 ARG 33 1HD ARG 33 0.885 -12.560 -4.106 223 HD3 ARG 33 2HD ARG 33 -0.048 -12.680 -5.597 224 HE ARG 33 HE ARG 33 2.505 -11.365 -5.875 225 HH11 ARG 33 1HH1 ARG 33 0.777 -14.385 -5.975 226 HH12 ARG 33 2HH1 ARG 33 1.947 -15.172 -6.981 227 HH21 ARG 33 1HH2 ARG 33 4.054 -12.389 -7.200 228 HH22 ARG 33 2HH2 ARG 33 3.811 -14.036 -7.677 229 H VAL 34 H VAL 34 -1.850 -8.176 -2.315 230 HA VAL 34 HA VAL 34 -4.040 -9.255 -0.974 231 HB VAL 34 HB VAL 34 -3.845 -7.466 0.601 232 HG11 VAL 34 1HG1 VAL 34 -1.436 -8.718 -0.506 233 HG12 VAL 34 2HG1 VAL 34 -1.133 -7.292 0.488 234 HG13 VAL 34 3HG1 VAL 34 -2.026 -8.659 1.155 235 HG21 VAL 34 3HG2 VAL 34 -3.883 -5.510 -0.692 236 HG22 VAL 34 1HG2 VAL 34 -2.277 -5.524 0.038 237 HG23 VAL 34 2HG2 VAL 34 -2.485 -6.008 -1.645 238 H HIS 35 H HIS 35 -3.850 -6.626 -3.271 239 HA HIS 35 HA HIS 35 -6.497 -5.642 -2.755 240 HB2 HIS 35 1HB HIS 35 -4.493 -5.127 -4.950 241 HB3 HIS 35 2HB HIS 35 -6.094 -4.392 -4.940 242 HD1 HIS 35 HD1 HIS 35 -6.583 -2.672 -3.009 243 HD2 HIS 35 HD2 HIS 35 -2.643 -3.965 -3.262 244 HE1 HIS 35 HE1 HIS 35 -5.253 -1.054 -1.617 245 H THR 36 H THR 36 -5.163 -8.208 -4.572 246 HA THR 36 HA THR 36 -7.459 -8.401 -6.360 247 HB THR 36 HB THR 36 -6.295 -10.122 -7.514 248 HG1 THR 36 HG1 THR 36 -4.064 -10.600 -6.377 249 HG21 THR 36 3HG2 THR 36 -5.365 -7.665 -7.502 250 HG22 THR 36 1HG2 THR 36 -4.486 -8.950 -8.328 251 HG23 THR 36 2HG2 THR 36 -3.973 -8.419 -6.726 252 H GLY 37 H GLY 37 -8.089 -8.682 -3.639 253 HA2 GLY 37 1HA GLY 37 -9.192 -11.385 -3.689 254 HA3 GLY 37 2HA GLY 37 -8.174 -10.974 -2.316 255 H GLU 38 H GLU 38 -8.930 -8.357 -1.848 256 HA GLU 38 HA GLU 38 -11.821 -8.299 -1.577 257 HB2 GLU 38 1HB GLU 38 -10.808 -9.566 0.412 258 HB3 GLU 38 2HB GLU 38 -10.146 -8.015 0.908 259 HG2 GLU 38 1HG GLU 38 -12.339 -7.080 1.132 260 HG3 GLU 38 2HG GLU 38 -13.073 -8.531 0.450 261 H LYS 39 H LYS 39 -12.640 -6.255 -1.419 262 HA LYS 39 HA LYS 39 -10.669 -4.064 -1.425 263 HB2 LYS 39 1HB LYS 39 -12.143 -2.822 -2.866 264 HB3 LYS 39 2HB LYS 39 -11.890 -4.414 -3.569 265 HG2 LYS 39 1HG LYS 39 -14.076 -5.075 -2.436 266 HG3 LYS 39 2HG LYS 39 -14.330 -3.345 -2.192 267 HD2 LYS 39 1HD LYS 39 -14.072 -3.009 -4.634 268 HD3 LYS 39 2HD LYS 39 -13.942 -4.759 -4.831 269 HE2 LYS 39 1HE LYS 39 -16.197 -4.125 -5.310 270 HE3 LYS 39 2HE LYS 39 -16.186 -4.971 -3.763 271 HZ1 LYS 39 3HZ LYS 39 -16.096 -2.018 -3.955 272 HZ2 LYS 39 1HZ LYS 39 -16.450 -2.965 -2.599 273 HZ3 LYS 39 2HZ LYS 39 -17.551 -2.877 -3.879 274 HA PRO 40 HA PRO 40 -12.574 -2.523 2.237 275 HB2 PRO 40 1HB PRO 40 -11.738 0.055 2.081 276 HB3 PRO 40 2HB PRO 40 -10.664 -1.279 2.522 277 HG2 PRO 40 1HG PRO 40 -11.003 0.087 -0.121 278 HG3 PRO 40 2HG PRO 40 -9.511 -0.416 0.695 279 HD2 PRO 40 1HD PRO 40 -10.631 -1.853 -1.308 280 HD3 PRO 40 2HD PRO 40 -9.735 -2.610 0.024 281 H SER 41 H SER 41 -14.142 -0.935 2.969 282 HA SER 41 HA SER 41 -15.841 0.073 0.780 283 HB2 SER 41 1HB SER 41 -16.512 -1.426 3.263 284 HB3 SER 41 2HB SER 41 -17.638 -0.170 2.748 285 HG SER 41 HG SER 41 -18.302 -1.470 1.251 286 H GLY 42 H GLY 42 -16.902 2.060 1.090 287 HA2 GLY 42 1HA GLY 42 -16.312 3.599 3.489 288 HA3 GLY 42 2HA GLY 42 -15.589 4.194 2.002 289 HA PRO 43 HA PRO 43 -20.438 4.770 2.099 290 HB2 PRO 43 1HB PRO 43 -21.188 5.808 4.493 291 HB3 PRO 43 2HB PRO 43 -21.213 4.075 4.148 292 HG2 PRO 43 1HG PRO 43 -19.160 5.684 5.616 293 HG3 PRO 43 2HG PRO 43 -19.835 4.095 6.021 294 HD2 PRO 43 1HD PRO 43 -17.416 4.393 4.841 295 HD3 PRO 43 2HD PRO 43 -18.463 2.994 4.531 296 H SER 44 H SER 44 -17.721 6.546 2.824 297 HA SER 44 HA SER 44 -18.777 9.150 3.149 298 HB2 SER 44 1HB SER 44 -16.360 8.258 3.551 299 HB3 SER 44 2HB SER 44 -16.121 8.634 1.845 300 HG SER 44 HG SER 44 -16.973 10.786 2.435 301 H SER 45 H SER 45 -17.424 7.512 0.288 302 HA SER 45 HA SER 45 -18.102 9.620 -1.498 303 HB2 SER 45 1HB SER 45 -17.441 8.086 -3.267 304 HB3 SER 45 2HB SER 45 -16.290 7.973 -1.935 305 HG SER 45 HG SER 45 -18.328 6.159 -2.667 306 H GLY 46 H GLY 46 -19.872 9.939 -2.746 307 HA2 GLY 46 1HA GLY 46 -21.866 7.861 -3.069 308 HA3 GLY 46 2HA GLY 46 -22.372 9.210 -2.064 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.852 11.479 6.918 2 HA2 GLY 1 1HA GLY 1 0.463 13.495 5.696 3 HA3 GLY 1 2HA GLY 1 -0.304 14.174 7.125 4 H SER 2 H SER 2 1.112 14.649 8.980 5 HA SER 2 HA SER 2 3.817 15.401 8.078 6 HB2 SER 2 1HB SER 2 2.030 16.863 10.037 7 HB3 SER 2 2HB SER 2 3.670 17.338 9.597 8 HG SER 2 HG SER 2 1.742 16.979 7.587 9 H SER 3 H SER 3 5.263 15.879 10.079 10 HA SER 3 HA SER 3 6.456 14.995 11.803 11 HB2 SER 3 1HB SER 3 4.170 15.643 12.900 12 HB3 SER 3 2HB SER 3 3.929 13.899 12.993 13 HG SER 3 HG SER 3 5.476 13.745 14.451 14 H GLY 4 H GLY 4 6.309 13.396 9.534 15 HA2 GLY 4 1HA GLY 4 5.862 10.667 10.507 16 HA3 GLY 4 2HA GLY 4 6.129 11.138 8.835 17 H SER 5 H SER 5 7.670 9.391 8.753 18 HA SER 5 HA SER 5 10.246 10.100 9.999 19 HB2 SER 5 1HB SER 5 9.107 7.371 9.365 20 HB3 SER 5 2HB SER 5 10.789 7.644 9.819 21 HG SER 5 HG SER 5 10.102 7.560 11.794 22 H SER 6 H SER 6 10.576 11.452 8.098 23 HA SER 6 HA SER 6 11.564 9.867 5.824 24 HB2 SER 6 1HB SER 6 9.436 10.976 5.214 25 HB3 SER 6 2HB SER 6 10.147 12.537 5.626 26 HG SER 6 HG SER 6 11.671 11.071 3.889 27 H GLY 7 H GLY 7 13.656 10.001 6.760 28 HA2 GLY 7 1HA GLY 7 14.864 12.690 6.534 29 HA3 GLY 7 2HA GLY 7 15.344 11.536 7.770 30 H SER 8 H SER 8 15.381 9.215 6.144 31 HA SER 8 HA SER 8 17.138 9.695 3.912 32 HB2 SER 8 1HB SER 8 18.829 9.904 5.569 33 HB3 SER 8 2HB SER 8 18.190 8.549 6.499 34 HG SER 8 HG SER 8 19.618 7.445 5.421 35 H GLY 9 H GLY 9 16.655 8.217 2.435 36 HA2 GLY 9 1HA GLY 9 16.664 5.827 1.871 37 HA3 GLY 9 2HA GLY 9 15.782 5.551 3.366 38 H GLU 10 H GLU 10 15.457 5.700 0.109 39 HA GLU 10 HA GLU 10 12.582 6.279 0.336 40 HB2 GLU 10 1HB GLU 10 14.436 7.154 -1.884 41 HB3 GLU 10 2HB GLU 10 12.683 7.262 -1.957 42 HG2 GLU 10 1HG GLU 10 12.648 8.819 -0.130 43 HG3 GLU 10 2HG GLU 10 14.383 8.626 0.116 44 H LYS 11 H LYS 11 11.244 5.211 -1.240 45 HA LYS 11 HA LYS 11 12.473 2.736 -2.263 46 HB2 LYS 11 1HB LYS 11 9.772 3.296 -1.081 47 HB3 LYS 11 2HB LYS 11 9.997 1.933 -2.169 48 HG2 LYS 11 1HG LYS 11 11.324 0.789 -0.687 49 HG3 LYS 11 2HG LYS 11 11.842 2.256 0.147 50 HD2 LYS 11 1HD LYS 11 8.958 1.623 0.274 51 HD3 LYS 11 2HD LYS 11 10.037 0.537 1.154 52 HE2 LYS 11 1HE LYS 11 9.333 2.279 2.643 53 HE3 LYS 11 2HE LYS 11 11.035 2.528 2.260 54 HZ1 LYS 11 3HZ LYS 11 8.707 4.017 1.190 55 HZ2 LYS 11 1HZ LYS 11 10.260 4.138 0.529 56 HZ3 LYS 11 2HZ LYS 11 9.980 4.620 2.126 57 HA PRO 12 HA PRO 12 11.464 4.428 -6.257 58 HB2 PRO 12 1HB PRO 12 12.333 2.294 -7.692 59 HB3 PRO 12 2HB PRO 12 13.430 3.483 -6.981 60 HG2 PRO 12 1HG PRO 12 12.655 0.776 -5.965 61 HG3 PRO 12 2HG PRO 12 14.255 1.539 -6.008 62 HD2 PRO 12 1HD PRO 12 12.748 1.442 -3.761 63 HD3 PRO 12 2HD PRO 12 13.850 2.789 -4.115 64 H PHE 13 H PHE 13 10.213 1.580 -4.792 65 HA PHE 13 HA PHE 13 8.205 1.277 -6.917 66 HB2 PHE 13 1HB PHE 13 8.877 -0.618 -4.657 67 HB3 PHE 13 2HB PHE 13 7.747 -0.928 -5.971 68 HD1 PHE 13 HD1 PHE 13 11.278 -0.607 -5.052 69 HD2 PHE 13 HD2 PHE 13 8.521 -1.511 -8.166 70 HE1 PHE 13 HE1 PHE 13 13.111 -1.548 -6.397 71 HE2 PHE 13 HE2 PHE 13 10.349 -2.454 -9.515 72 HZ PHE 13 HZ PHE 13 12.648 -2.474 -8.631 73 H LYS 14 H LYS 14 6.079 1.607 -6.534 74 HA LYS 14 HA LYS 14 5.157 2.005 -3.790 75 HB2 LYS 14 1HB LYS 14 5.799 4.237 -4.550 76 HB3 LYS 14 2HB LYS 14 4.805 4.051 -5.989 77 HG2 LYS 14 1HG LYS 14 2.838 3.766 -4.406 78 HG3 LYS 14 2HG LYS 14 3.919 4.350 -3.138 79 HD2 LYS 14 1HD LYS 14 4.306 6.402 -4.428 80 HD3 LYS 14 2HD LYS 14 3.208 5.817 -5.680 81 HE2 LYS 14 1HE LYS 14 1.446 5.671 -3.863 82 HE3 LYS 14 2HE LYS 14 2.560 6.580 -2.842 83 HZ1 LYS 14 3HZ LYS 14 1.752 7.572 -5.506 84 HZ2 LYS 14 1HZ LYS 14 2.412 8.440 -4.212 85 HZ3 LYS 14 2HZ LYS 14 0.818 7.881 -4.130 86 H CYS 15 H CYS 15 3.261 1.041 -3.470 87 HA CYS 15 HA CYS 15 1.903 -0.253 -5.623 88 HB2 CYS 15 1HB CYS 15 2.068 -1.168 -3.299 89 HB3 CYS 15 2HB CYS 15 0.966 0.098 -2.769 90 H GLU 16 H GLU 16 0.935 1.090 -7.051 91 HA GLU 16 HA GLU 16 -0.318 3.518 -6.476 92 HB2 GLU 16 1HB GLU 16 -0.952 1.617 -8.740 93 HB3 GLU 16 2HB GLU 16 -1.348 3.329 -8.684 94 HG2 GLU 16 1HG GLU 16 1.157 3.731 -8.466 95 HG3 GLU 16 2HG GLU 16 1.348 2.045 -8.943 96 H GLU 17 H GLU 17 -1.434 0.260 -6.135 97 HA GLU 17 HA GLU 17 -4.191 0.582 -6.227 98 HB2 GLU 17 1HB GLU 17 -2.719 -1.214 -4.296 99 HB3 GLU 17 2HB GLU 17 -4.348 -1.432 -4.920 100 HG2 GLU 17 1HG GLU 17 -3.182 -1.508 -7.232 101 HG3 GLU 17 2HG GLU 17 -1.730 -1.843 -6.292 102 H CYS 18 H CYS 18 -2.068 0.771 -3.368 103 HA CYS 18 HA CYS 18 -4.178 2.331 -2.026 104 HB2 CYS 18 1HB CYS 18 -3.249 1.515 0.108 105 HB3 CYS 18 2HB CYS 18 -3.800 0.192 -0.915 106 H GLY 19 H GLY 19 -0.703 1.988 -2.558 107 HA2 GLY 19 1HA GLY 19 0.402 4.182 -3.055 108 HA3 GLY 19 2HA GLY 19 -0.368 4.759 -1.584 109 H LYS 20 H LYS 20 0.710 1.530 -1.447 110 HA LYS 20 HA LYS 20 2.533 2.069 0.647 111 HB2 LYS 20 1HB LYS 20 1.674 -0.324 -0.885 112 HB3 LYS 20 2HB LYS 20 3.225 -0.430 -0.061 113 HG2 LYS 20 1HG LYS 20 1.790 0.528 1.953 114 HG3 LYS 20 2HG LYS 20 0.487 -0.252 1.054 115 HD2 LYS 20 1HD LYS 20 1.396 -2.364 1.316 116 HD3 LYS 20 2HD LYS 20 3.025 -1.740 1.587 117 HE2 LYS 20 1HE LYS 20 2.244 -2.541 3.677 118 HE3 LYS 20 2HE LYS 20 2.179 -0.781 3.753 119 HZ1 LYS 20 3HZ LYS 20 -0.253 -1.179 2.952 120 HZ2 LYS 20 1HZ LYS 20 0.142 -1.341 4.589 121 HZ3 LYS 20 2HZ LYS 20 -0.022 -2.717 3.619 122 H ARG 21 H ARG 21 4.791 0.734 0.366 123 HA ARG 21 HA ARG 21 6.095 1.427 -2.135 124 HB2 ARG 21 1HB ARG 21 6.980 2.608 0.505 125 HB3 ARG 21 2HB ARG 21 7.880 2.711 -1.002 126 HG2 ARG 21 1HG ARG 21 5.719 3.805 -1.925 127 HG3 ARG 21 2HG ARG 21 5.340 4.069 -0.222 128 HD2 ARG 21 1HD ARG 21 7.840 4.968 -0.208 129 HD3 ARG 21 2HD ARG 21 7.473 5.259 -1.908 130 HE ARG 21 HE ARG 21 6.213 7.036 -1.252 131 HH11 ARG 21 1HH1 ARG 21 6.461 4.821 1.422 132 HH12 ARG 21 2HH1 ARG 21 5.604 5.849 2.522 133 HH21 ARG 21 1HH2 ARG 21 5.084 8.398 0.186 134 HH22 ARG 21 2HH2 ARG 21 4.820 7.884 1.818 135 H PHE 22 H PHE 22 8.173 0.450 -2.382 136 HA PHE 22 HA PHE 22 9.097 -1.371 -0.325 137 HB2 PHE 22 1HB PHE 22 8.396 -2.482 -3.043 138 HB3 PHE 22 2HB PHE 22 8.913 -3.374 -1.616 139 HD1 PHE 22 HD2 PHE 22 6.147 -1.376 -3.040 140 HD2 PHE 22 HD1 PHE 22 7.358 -4.130 -0.029 141 HE1 PHE 22 HE2 PHE 22 3.794 -1.711 -2.405 142 HE2 PHE 22 HE1 PHE 22 5.007 -4.470 0.611 143 HZ PHE 22 HZ PHE 22 3.221 -3.259 -0.577 144 H THR 23 H THR 23 11.220 -2.126 -0.666 145 HA THR 23 HA THR 23 12.832 -0.359 -2.262 146 HB THR 23 HB THR 23 13.598 -1.085 -0.043 147 HG1 THR 23 HG1 THR 23 15.082 -0.632 -1.896 148 HG21 THR 23 3HG2 THR 23 13.258 -3.762 -1.269 149 HG22 THR 23 1HG2 THR 23 13.020 -3.242 0.399 150 HG23 THR 23 2HG2 THR 23 14.649 -3.541 -0.207 151 H GLN 24 H GLN 24 11.294 -3.320 -2.803 152 HA GLN 24 HA GLN 24 12.809 -3.676 -5.282 153 HB2 GLN 24 1HB GLN 24 12.581 -5.616 -3.057 154 HB3 GLN 24 2HB GLN 24 12.360 -6.265 -4.676 155 HG2 GLN 24 1HG GLN 24 14.761 -4.777 -3.640 156 HG3 GLN 24 2HG GLN 24 14.657 -6.495 -4.021 157 HE21 GLN 24 1HE2 GLN 24 13.185 -6.262 -6.412 158 HE22 GLN 24 2HE2 GLN 24 14.214 -5.558 -7.607 159 H ASN 25 H ASN 25 11.669 -4.923 -6.904 160 HA ASN 25 HA ASN 25 8.927 -4.232 -7.056 161 HB2 ASN 25 1HB ASN 25 8.928 -5.424 -9.177 162 HB3 ASN 25 2HB ASN 25 10.397 -4.462 -9.038 163 HD21 ASN 25 1HD2 ASN 25 12.371 -5.518 -8.614 164 HD22 ASN 25 2HD2 ASN 25 12.579 -7.195 -8.973 165 H SER 26 H SER 26 10.566 -7.370 -6.679 166 HA SER 26 HA SER 26 8.466 -9.095 -6.642 167 HB2 SER 26 1HB SER 26 10.653 -9.989 -6.379 168 HB3 SER 26 2HB SER 26 10.938 -9.056 -4.910 169 HG SER 26 HG SER 26 10.296 -11.421 -4.789 170 H GLN 27 H GLN 27 9.457 -6.933 -4.039 171 HA GLN 27 HA GLN 27 7.670 -7.929 -2.085 172 HB2 GLN 27 1HB GLN 27 8.981 -5.221 -2.366 173 HB3 GLN 27 2HB GLN 27 8.084 -5.743 -0.947 174 HG2 GLN 27 1HG GLN 27 9.707 -7.682 -0.808 175 HG3 GLN 27 2HG GLN 27 10.674 -6.822 -2.005 176 HE21 GLN 27 1HE2 GLN 27 10.744 -4.324 -1.332 177 HE22 GLN 27 2HE2 GLN 27 11.322 -4.075 0.276 178 H LEU 28 H LEU 28 7.487 -5.012 -4.130 179 HA LEU 28 HA LEU 28 4.921 -4.223 -3.362 180 HB2 LEU 28 1HB LEU 28 6.333 -2.711 -4.548 181 HB3 LEU 28 2HB LEU 28 6.441 -3.806 -5.925 182 HG LEU 28 HG LEU 28 4.120 -3.378 -6.485 183 HD11 LEU 28 1HD1 LEU 28 3.528 -2.962 -4.007 184 HD12 LEU 28 2HD1 LEU 28 2.672 -2.053 -5.252 185 HD13 LEU 28 3HD1 LEU 28 3.978 -1.291 -4.345 186 HD21 LEU 28 3HD2 LEU 28 6.061 -1.811 -7.142 187 HD22 LEU 28 1HD2 LEU 28 5.332 -0.682 -5.999 188 HD23 LEU 28 2HD2 LEU 28 4.405 -1.255 -7.385 189 H HIS 29 H HIS 29 5.896 -6.047 -6.268 190 HA HIS 29 HA HIS 29 3.320 -6.558 -7.222 191 HB2 HIS 29 1HB HIS 29 5.996 -7.819 -7.625 192 HB3 HIS 29 2HB HIS 29 4.572 -8.672 -8.213 193 HD1 HIS 29 HD1 HIS 29 4.157 -8.195 -10.590 194 HD2 HIS 29 HD2 HIS 29 5.805 -4.919 -8.638 195 HE1 HIS 29 HE1 HIS 29 4.373 -6.406 -12.345 196 H SER 30 H SER 30 5.171 -8.090 -4.706 197 HA SER 30 HA SER 30 3.492 -10.423 -4.546 198 HB2 SER 30 1HB SER 30 5.730 -10.766 -3.848 199 HB3 SER 30 2HB SER 30 5.713 -9.333 -2.821 200 HG SER 30 HG SER 30 5.367 -11.646 -1.933 201 H HIS 31 H HIS 31 3.449 -7.229 -3.286 202 HA HIS 31 HA HIS 31 1.632 -7.899 -1.113 203 HB2 HIS 31 1HB HIS 31 2.962 -6.203 -0.342 204 HB3 HIS 31 2HB HIS 31 3.165 -5.490 -1.939 205 HD1 HIS 31 HD1 HIS 31 0.808 -5.539 0.985 206 HD2 HIS 31 HD2 HIS 31 1.349 -3.499 -2.594 207 HE1 HIS 31 HE1 HIS 31 -0.776 -3.588 1.077 208 H GLN 32 H GLN 32 1.605 -6.125 -4.178 209 HA GLN 32 HA GLN 32 -0.892 -5.021 -4.174 210 HB2 GLN 32 1HB GLN 32 0.736 -6.260 -6.367 211 HB3 GLN 32 2HB GLN 32 -0.873 -5.637 -6.706 212 HG2 GLN 32 1HG GLN 32 -0.176 -3.441 -5.838 213 HG3 GLN 32 2HG GLN 32 1.449 -4.080 -5.593 214 HE21 GLN 32 1HE2 GLN 32 2.427 -2.686 -7.013 215 HE22 GLN 32 2HE2 GLN 32 2.197 -2.767 -8.723 216 H ARG 33 H ARG 33 -0.077 -8.378 -4.283 217 HA ARG 33 HA ARG 33 -2.322 -9.509 -5.441 218 HB2 ARG 33 1HB ARG 33 -1.027 -10.694 -2.998 219 HB3 ARG 33 2HB ARG 33 -1.724 -11.525 -4.382 220 HG2 ARG 33 1HG ARG 33 0.139 -10.495 -5.758 221 HG3 ARG 33 2HG ARG 33 0.883 -10.050 -4.221 222 HD2 ARG 33 1HD ARG 33 0.011 -12.868 -4.703 223 HD3 ARG 33 2HD ARG 33 1.532 -12.289 -5.381 224 HE ARG 33 HE ARG 33 1.267 -11.723 -2.586 225 HH11 ARG 33 1HH1 ARG 33 2.169 -14.145 -4.919 226 HH12 ARG 33 2HH1 ARG 33 3.218 -14.990 -3.829 227 HH21 ARG 33 1HH2 ARG 33 2.645 -12.828 -1.142 228 HH22 ARG 33 2HH2 ARG 33 3.487 -14.241 -1.681 229 H VAL 34 H VAL 34 -1.900 -8.161 -2.232 230 HA VAL 34 HA VAL 34 -4.170 -9.181 -0.973 231 HB VAL 34 HB VAL 34 -3.978 -7.417 0.612 232 HG11 VAL 34 1HG1 VAL 34 -1.550 -8.670 -0.443 233 HG12 VAL 34 2HG1 VAL 34 -1.260 -7.243 0.553 234 HG13 VAL 34 3HG1 VAL 34 -2.170 -8.605 1.206 235 HG21 VAL 34 3HG2 VAL 34 -2.845 -5.357 0.253 236 HG22 VAL 34 1HG2 VAL 34 -2.191 -5.913 -1.288 237 HG23 VAL 34 2HG2 VAL 34 -3.919 -5.598 -1.125 238 H HIS 35 H HIS 35 -3.832 -6.660 -3.346 239 HA HIS 35 HA HIS 35 -6.505 -5.631 -2.932 240 HB2 HIS 35 1HB HIS 35 -4.364 -5.027 -4.973 241 HB3 HIS 35 2HB HIS 35 -5.955 -4.272 -4.999 242 HD1 HIS 35 HD1 HIS 35 -6.541 -2.753 -2.879 243 HD2 HIS 35 HD2 HIS 35 -2.560 -3.877 -3.265 244 HE1 HIS 35 HE1 HIS 35 -5.256 -1.203 -1.373 245 H THR 36 H THR 36 -4.910 -7.962 -4.942 246 HA THR 36 HA THR 36 -7.095 -8.142 -6.835 247 HB THR 36 HB THR 36 -5.818 -9.953 -7.869 248 HG1 THR 36 HG1 THR 36 -4.657 -10.047 -5.427 249 HG21 THR 36 3HG2 THR 36 -5.178 -7.811 -8.633 250 HG22 THR 36 1HG2 THR 36 -3.669 -8.657 -8.294 251 HG23 THR 36 2HG2 THR 36 -4.287 -7.463 -7.152 252 H GLY 37 H GLY 37 -7.897 -8.585 -4.164 253 HA2 GLY 37 1HA GLY 37 -8.950 -11.300 -4.449 254 HA3 GLY 37 2HA GLY 37 -8.074 -10.927 -2.973 255 H GLU 38 H GLU 38 -8.920 -8.401 -2.384 256 HA GLU 38 HA GLU 38 -11.692 -8.912 -1.631 257 HB2 GLU 38 1HB GLU 38 -9.752 -8.107 -0.064 258 HB3 GLU 38 2HB GLU 38 -10.131 -6.522 -0.723 259 HG2 GLU 38 1HG GLU 38 -12.112 -8.330 0.641 260 HG3 GLU 38 2HG GLU 38 -11.260 -6.996 1.417 261 H LYS 39 H LYS 39 -13.386 -7.505 -2.054 262 HA LYS 39 HA LYS 39 -12.853 -5.469 -4.119 263 HB2 LYS 39 1HB LYS 39 -15.100 -5.954 -5.019 264 HB3 LYS 39 2HB LYS 39 -14.038 -7.354 -5.088 265 HG2 LYS 39 1HG LYS 39 -15.219 -8.504 -3.501 266 HG3 LYS 39 2HG LYS 39 -15.826 -7.036 -2.732 267 HD2 LYS 39 1HD LYS 39 -17.259 -6.650 -4.725 268 HD3 LYS 39 2HD LYS 39 -16.717 -8.202 -5.369 269 HE2 LYS 39 1HE LYS 39 -17.515 -9.037 -2.980 270 HE3 LYS 39 2HE LYS 39 -18.542 -7.609 -3.100 271 HZ1 LYS 39 3HZ LYS 39 -19.907 -8.964 -4.208 272 HZ2 LYS 39 1HZ LYS 39 -18.704 -10.113 -4.515 273 HZ3 LYS 39 2HZ LYS 39 -18.854 -8.759 -5.517 274 HA PRO 40 HA PRO 40 -14.630 -2.542 -1.345 275 HB2 PRO 40 1HB PRO 40 -15.275 -0.612 -3.142 276 HB3 PRO 40 2HB PRO 40 -13.613 -0.935 -2.634 277 HG2 PRO 40 1HG PRO 40 -15.044 -1.826 -5.108 278 HG3 PRO 40 2HG PRO 40 -13.393 -1.203 -4.933 279 HD2 PRO 40 1HD PRO 40 -13.937 -3.846 -5.169 280 HD3 PRO 40 2HD PRO 40 -12.569 -3.233 -4.217 281 H SER 41 H SER 41 -16.639 -1.461 -0.860 282 HA SER 41 HA SER 41 -18.916 -3.048 -1.408 283 HB2 SER 41 1HB SER 41 -20.160 -1.318 -0.150 284 HB3 SER 41 2HB SER 41 -18.692 -1.816 0.691 285 HG SER 41 HG SER 41 -19.204 0.575 -0.716 286 H GLY 42 H GLY 42 -19.629 -3.145 -3.465 287 HA2 GLY 42 1HA GLY 42 -20.902 -0.807 -4.567 288 HA3 GLY 42 2HA GLY 42 -19.496 -1.327 -5.483 289 HA PRO 43 HA PRO 43 -23.464 -3.741 -6.571 290 HB2 PRO 43 1HB PRO 43 -24.085 -2.485 -8.896 291 HB3 PRO 43 2HB PRO 43 -24.728 -1.979 -7.330 292 HG2 PRO 43 1HG PRO 43 -22.444 -0.843 -8.895 293 HG3 PRO 43 2HG PRO 43 -23.730 0.005 -8.018 294 HD2 PRO 43 1HD PRO 43 -21.244 -0.322 -6.998 295 HD3 PRO 43 2HD PRO 43 -22.695 -0.272 -5.978 296 H SER 44 H SER 44 -20.390 -3.178 -7.604 297 HA SER 44 HA SER 44 -19.935 -3.982 -10.102 298 HB2 SER 44 1HB SER 44 -18.558 -5.335 -7.772 299 HB3 SER 44 2HB SER 44 -17.903 -5.068 -9.388 300 HG SER 44 HG SER 44 -18.495 -2.710 -8.685 301 H SER 45 H SER 45 -20.649 -5.520 -11.405 302 HA SER 45 HA SER 45 -22.414 -7.516 -10.769 303 HB2 SER 45 1HB SER 45 -21.626 -6.672 -13.087 304 HB3 SER 45 2HB SER 45 -20.390 -7.923 -12.959 305 HG SER 45 HG SER 45 -23.069 -8.152 -13.468 306 H GLY 46 H GLY 46 -22.027 -9.936 -11.051 307 HA2 GLY 46 1HA GLY 46 -21.251 -11.792 -9.905 308 HA3 GLY 46 2HA GLY 46 -19.747 -11.336 -10.691
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