NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2947 | 1cwx | 4669 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 -32.246 4.402 3.497 2 2H SER 1 HT2 SER 1 -31.279 3.005 3.458 3 3H SER 1 HT3 SER 1 -31.494 3.933 2.051 4 HA SER 1 HA SER 1 -29.963 5.455 2.627 5 1HB SER 1 HB2 SER 1 -30.519 4.948 5.558 6 2HB SER 1 HB1 SER 1 -29.721 6.344 4.839 7 HG SER 1 HG SER 1 -31.801 6.625 3.686 8 H THR 2 HN THR 2 -27.772 5.394 3.939 9 HA THR 2 HA THR 2 -26.833 2.957 5.069 10 HB THR 2 HB THR 2 -27.255 2.046 2.808 11 HG1 THR 2 HG1 THR 2 -24.660 2.350 3.806 12 1HG2 THR 2 HG2 THR 2 -26.276 4.577 2.006 13 2HG2 THR 2 HG2 THR 2 -26.825 3.261 0.968 14 3HG2 THR 2 HG2 THR 2 -25.122 3.383 1.411 15 H ASN 3 HN ASN 3 -25.797 4.552 6.391 16 HA ASN 3 HA ASN 3 -23.405 5.783 5.088 17 1HB ASN 3 HB2 ASN 3 -25.508 7.276 5.937 18 2HB ASN 3 HB1 ASN 3 -24.563 7.194 7.428 19 1HD2 ASN 3 HD2 ASN 3 -24.003 9.509 7.185 20 2HD2 ASN 3 HD2 ASN 3 -22.841 9.996 6.048 21 HA PRO 4 HA PRO 4 -22.111 3.216 8.661 22 1HB PRO 4 HB2 PRO 4 -20.050 2.002 7.305 23 2HB PRO 4 HB1 PRO 4 -21.712 1.387 7.314 24 1HG PRO 4 HG2 PRO 4 -20.248 2.805 5.137 25 2HG PRO 4 HG1 PRO 4 -21.592 1.657 5.022 26 1HD PRO 4 HD2 PRO 4 -21.791 4.471 4.788 27 2HD PRO 4 HD1 PRO 4 -23.146 3.343 5.008 28 H LYS 5 HN LYS 5 -19.683 4.390 6.291 29 HA LYS 5 HA LYS 5 -18.667 6.579 7.614 30 1HB LYS 5 HB2 LYS 5 -18.139 5.618 9.643 31 2HB LYS 5 HB1 LYS 5 -17.836 4.034 8.946 32 1HG LYS 5 HG2 LYS 5 -15.666 4.646 8.214 33 2HG LYS 5 HG1 LYS 5 -16.007 6.368 8.380 34 1HD LYS 5 HD2 LYS 5 -16.395 4.966 10.900 35 2HD LYS 5 HD1 LYS 5 -14.759 4.736 10.280 36 1HE LYS 5 HE2 LYS 5 -14.265 7.008 10.353 37 2HE LYS 5 HE1 LYS 5 -15.958 7.485 10.226 38 1HZ LYS 5 HZ1 LYS 5 -15.019 5.998 12.587 39 2HZ LYS 5 HZ2 LYS 5 -16.341 7.054 12.439 40 3HZ LYS 5 HZ3 LYS 5 -14.758 7.671 12.486 41 HA PRO 6 HA PRO 6 -15.188 4.712 4.922 42 1HB PRO 6 HB2 PRO 6 -15.515 2.136 4.022 43 2HB PRO 6 HB1 PRO 6 -14.687 2.548 5.534 44 1HG PRO 6 HG2 PRO 6 -17.407 1.388 5.138 45 2HG PRO 6 HG1 PRO 6 -16.309 1.228 6.519 46 1HD PRO 6 HD2 PRO 6 -18.559 2.928 6.391 47 2HD PRO 6 HD1 PRO 6 -17.259 3.007 7.597 48 H GLN 7 HN GLN 7 -15.063 4.909 2.626 49 HA GLN 7 HA GLN 7 -17.694 5.136 1.276 50 1HB GLN 7 HB2 GLN 7 -14.909 6.036 0.483 51 2HB GLN 7 HB1 GLN 7 -16.341 6.259 -0.523 52 1HG GLN 7 HG2 GLN 7 -17.339 7.744 1.013 53 2HG GLN 7 HG1 GLN 7 -16.289 7.225 2.333 54 1HE2 GLN 7 HE2 GLN 7 -15.376 8.155 -1.020 55 2HE2 GLN 7 HE2 GLN 7 -14.367 9.436 -0.551 56 H ARG 8 HN ARG 8 -14.884 3.113 1.371 57 HA ARG 8 HA ARG 8 -15.479 1.875 -1.243 58 1HB ARG 8 HB2 ARG 8 -13.386 1.317 0.877 59 2HB ARG 8 HB1 ARG 8 -13.544 0.374 -0.605 60 1HG ARG 8 HG2 ARG 8 -12.618 2.006 -1.882 61 2HG ARG 8 HG1 ARG 8 -13.503 3.283 -1.048 62 1HD ARG 8 HD2 ARG 8 -11.668 2.249 0.836 63 2HD ARG 8 HD1 ARG 8 -10.769 2.440 -0.670 64 HE ARG 8 HE ARG 8 -11.566 4.587 1.008 65 1HH1 ARG 8 HH1 ARG 8 -9.595 5.054 -1.097 66 2HH1 ARG 8 HH1 ARG 8 -10.455 6.017 -2.252 67 1HH2 ARG 8 HH2 ARG 8 -13.584 5.205 -0.996 68 2HH2 ARG 8 HH2 ARG 8 -12.713 6.103 -2.194 69 H LYS 9 HN LYS 9 -16.238 -0.275 -1.464 70 HA LYS 9 HA LYS 9 -16.669 -2.104 0.670 71 1HB LYS 9 HB2 LYS 9 -18.258 -0.265 1.385 72 2HB LYS 9 HB1 LYS 9 -19.181 -0.586 -0.084 73 1HG LYS 9 HG2 LYS 9 -20.295 -2.006 1.350 74 2HG LYS 9 HG1 LYS 9 -19.014 -3.099 0.824 75 1HD LYS 9 HD2 LYS 9 -17.656 -2.169 2.811 76 2HD LYS 9 HD1 LYS 9 -19.193 -1.528 3.395 77 1HE LYS 9 HE2 LYS 9 -18.738 -4.438 2.680 78 2HE LYS 9 HE1 LYS 9 -18.632 -3.798 4.320 79 1HZ LYS 9 HZ1 LYS 9 -21.028 -3.001 2.969 80 2HZ LYS 9 HZ2 LYS 9 -20.832 -3.720 4.496 81 3HZ LYS 9 HZ3 LYS 9 -20.893 -4.687 3.100 82 H THR 10 HN THR 10 -18.306 -0.845 -2.252 83 HA THR 10 HA THR 10 -18.914 -3.585 -3.139 84 HB THR 10 HB THR 10 -19.477 -1.929 -5.270 85 HG1 THR 10 HG1 THR 10 -18.938 -0.084 -4.144 86 1HG2 THR 10 HG2 THR 10 -21.438 -2.132 -3.017 87 2HG2 THR 10 HG2 THR 10 -20.866 -3.614 -3.781 88 3HG2 THR 10 HG2 THR 10 -21.688 -2.386 -4.744 89 H LYS 11 HN LYS 11 -17.606 -0.970 -5.141 90 HA LYS 11 HA LYS 11 -16.173 -2.462 -6.955 91 1HB LYS 11 HB2 LYS 11 -15.880 0.259 -5.841 92 2HB LYS 11 HB1 LYS 11 -14.422 -0.393 -6.589 93 1HG LYS 11 HG2 LYS 11 -15.950 0.853 -8.177 94 2HG LYS 11 HG1 LYS 11 -15.576 -0.800 -8.664 95 1HD LYS 11 HD2 LYS 11 -17.704 -1.578 -8.165 96 2HD LYS 11 HD1 LYS 11 -17.993 -0.322 -6.961 97 1HE LYS 11 HE2 LYS 11 -17.563 0.740 -9.664 98 2HE LYS 11 HE1 LYS 11 -18.981 -0.301 -9.539 99 1HZ LYS 11 HZ1 LYS 11 -18.365 2.102 -7.915 100 2HZ LYS 11 HZ2 LYS 11 -19.623 1.021 -7.548 101 3HZ LYS 11 HZ3 LYS 11 -19.649 1.896 -9.004 102 H ARG 12 HN ARG 12 -14.624 -1.095 -4.017 103 HA ARG 12 HA ARG 12 -12.850 -1.935 -2.729 104 1HB ARG 12 HB2 ARG 12 -14.456 -4.168 -3.420 105 2HB ARG 12 HB1 ARG 12 -12.780 -4.659 -3.667 106 1HG ARG 12 HG2 ARG 12 -12.186 -4.119 -1.420 107 2HG ARG 12 HG1 ARG 12 -13.695 -3.245 -1.156 108 1HD ARG 12 HD2 ARG 12 -14.979 -5.274 -1.217 109 2HD ARG 12 HD1 ARG 12 -13.593 -6.204 -1.788 110 HE ARG 12 HE ARG 12 -13.100 -4.929 0.784 111 1HH1 ARG 12 HH2 ARG 12 -12.114 -7.647 -0.164 112 2HH1 ARG 12 HH2 ARG 12 -13.016 -8.711 0.863 113 1HH2 ARG 12 HH1 ARG 12 -15.299 -6.284 1.820 114 2HH2 ARG 12 HH1 ARG 12 -14.818 -7.940 1.986 115 H ASN 13 HN ASN 13 -10.774 -3.558 -3.183 116 HA ASN 13 HA ASN 13 -9.078 -2.261 -4.950 117 1HB ASN 13 HB2 ASN 13 -9.084 -5.229 -4.317 118 2HB ASN 13 HB1 ASN 13 -7.718 -4.331 -4.982 119 1HD2 ASN 13 HD2 ASN 13 -7.997 -5.715 -2.292 120 2HD2 ASN 13 HD2 ASN 13 -7.655 -4.510 -1.146 121 H THR 14 HN THR 14 -8.143 -3.209 -7.060 122 HA THR 14 HA THR 14 -9.771 -4.910 -8.707 123 HB THR 14 HB THR 14 -10.035 -2.501 -10.166 124 HG1 THR 14 HG1 THR 14 -10.679 -1.068 -8.773 125 1HG2 THR 14 HG2 THR 14 -12.185 -3.945 -8.604 126 2HG2 THR 14 HG2 THR 14 -11.494 -4.578 -10.098 127 3HG2 THR 14 HG2 THR 14 -12.369 -3.046 -10.111 128 H ASN 15 HN ASN 15 -7.435 -2.234 -8.611 129 HA ASN 15 HA ASN 15 -5.985 -3.585 -10.855 130 1HB ASN 15 HB2 ASN 15 -4.946 -1.192 -11.092 131 2HB ASN 15 HB1 ASN 15 -6.558 -1.492 -11.741 132 1HD2 ASN 15 HD2 ASN 15 -4.820 -0.038 -8.986 133 2HD2 ASN 15 HD2 ASN 15 -6.122 0.913 -8.456 134 H ARG 16 HN ARG 16 -3.672 -3.703 -10.648 135 HA ARG 16 HA ARG 16 -2.734 -3.925 -7.910 136 1HB ARG 16 HB2 ARG 16 -1.945 -4.769 -10.593 137 2HB ARG 16 HB1 ARG 16 -0.581 -4.204 -9.641 138 1HG ARG 16 HG2 ARG 16 -2.238 -5.786 -7.942 139 2HG ARG 16 HG1 ARG 16 -1.967 -6.690 -9.432 140 1HD ARG 16 HD2 ARG 16 0.537 -5.838 -9.051 141 2HD ARG 16 HD1 ARG 16 0.002 -5.797 -7.371 142 HE ARG 16 HE ARG 16 0.583 -8.180 -8.872 143 1HH1 ARG 16 HH2 ARG 16 -2.476 -8.006 -8.190 144 2HH1 ARG 16 HH2 ARG 16 -2.507 -8.984 -6.760 145 1HH2 ARG 16 HH1 ARG 16 0.934 -8.930 -6.328 146 2HH2 ARG 16 HH1 ARG 16 -0.577 -9.507 -5.707 147 H ARG 17 HN ARG 17 -0.349 -3.069 -7.739 148 HA ARG 17 HA ARG 17 1.168 -1.172 -8.328 149 1HB ARG 17 HB2 ARG 17 -0.502 0.045 -9.682 150 2HB ARG 17 HB1 ARG 17 -1.399 0.445 -8.221 151 1HG ARG 17 HG2 ARG 17 0.036 2.325 -8.839 152 2HG ARG 17 HG1 ARG 17 0.609 1.610 -7.332 153 1HD ARG 17 HD2 ARG 17 2.506 2.030 -8.826 154 2HD ARG 17 HD1 ARG 17 2.282 0.294 -8.615 155 HE ARG 17 HE ARG 17 0.909 1.414 -10.953 156 1HH1 ARG 17 HH1 ARG 17 4.133 1.414 -10.417 157 2HH1 ARG 17 HH1 ARG 17 4.549 0.200 -11.580 158 1HH2 ARG 17 HH2 ARG 17 1.267 -0.775 -12.128 159 2HH2 ARG 17 HH2 ARG 17 2.926 -1.039 -12.550 160 HA PRO 18 HA PRO 18 -0.144 0.212 -3.963 161 1HB PRO 18 HB2 PRO 18 -2.500 -0.755 -2.969 162 2HB PRO 18 HB1 PRO 18 -2.379 0.743 -3.879 163 1HG PRO 18 HG2 PRO 18 -3.497 -1.854 -4.746 164 2HG PRO 18 HG1 PRO 18 -3.857 -0.227 -5.344 165 1HD PRO 18 HD2 PRO 18 -2.160 -2.156 -6.565 166 2HD PRO 18 HD1 PRO 18 -2.363 -0.462 -7.054 167 H GLN 19 HN GLN 19 -0.993 -2.829 -5.140 168 HA GLN 19 HA GLN 19 -0.376 -4.360 -2.745 169 1HB GLN 19 HB2 GLN 19 -1.571 -4.735 -5.325 170 2HB GLN 19 HB1 GLN 19 -0.524 -6.047 -4.846 171 1HG GLN 19 HG2 GLN 19 -2.008 -6.797 -3.332 172 2HG GLN 19 HG1 GLN 19 -2.132 -5.188 -2.621 173 1HE2 GLN 19 HE2 GLN 19 -3.653 -3.638 -3.757 174 2HE2 GLN 19 HE2 GLN 19 -5.009 -4.271 -4.558 175 H ASP 20 HN ASP 20 1.624 -2.866 -3.638 176 HA ASP 20 HA ASP 20 3.779 -4.818 -4.019 177 1HB ASP 20 HB2 ASP 20 3.347 -4.293 -6.281 178 2HB ASP 20 HB1 ASP 20 3.155 -2.593 -5.958 179 H VAL 21 HN VAL 21 2.851 -1.399 -3.816 180 HA VAL 21 HA VAL 21 5.437 -0.759 -2.795 181 HB VAL 21 HB VAL 21 2.993 1.002 -2.583 182 1HG1 VAL 21 HG1 VAL 21 4.517 2.382 -1.649 183 2HG1 VAL 21 HG1 VAL 21 5.274 2.484 -3.238 184 3HG1 VAL 21 HG1 VAL 21 5.844 1.298 -2.064 185 1HG2 VAL 21 HG2 VAL 21 2.900 0.916 -4.844 186 2HG2 VAL 21 HG2 VAL 21 4.419 0.025 -4.942 187 3HG2 VAL 21 HG2 VAL 21 4.435 1.785 -4.836 188 H LYS 22 HN LYS 22 3.101 -2.439 -1.428 189 HA LYS 22 HA LYS 22 3.446 -1.335 1.252 190 1HB LYS 22 HB2 LYS 22 1.658 -3.047 1.775 191 2HB LYS 22 HB1 LYS 22 1.149 -1.800 0.625 192 1HG LYS 22 HG2 LYS 22 1.205 -3.226 -1.164 193 2HG LYS 22 HG1 LYS 22 2.538 -4.148 -0.478 194 1HD LYS 22 HD2 LYS 22 0.343 -5.386 -0.576 195 2HD LYS 22 HD1 LYS 22 1.112 -5.326 1.011 196 1HE LYS 22 HE2 LYS 22 -0.455 -3.845 1.866 197 2HE LYS 22 HE1 LYS 22 -0.820 -3.157 0.284 198 1HZ LYS 22 HZ1 LYS 22 -2.640 -4.520 1.051 199 2HZ LYS 22 HZ2 LYS 22 -1.607 -5.855 1.243 200 3HZ LYS 22 HZ3 LYS 22 -1.922 -5.237 -0.308 201 H PHE 23 HN PHE 23 5.032 -3.166 -0.769 202 HA PHE 23 HA PHE 23 6.324 -5.063 -0.747 203 1HB PHE 23 HB2 PHE 23 6.748 -3.953 1.970 204 2HB PHE 23 HB1 PHE 23 7.870 -4.983 1.080 205 HD1 PHE 23 HD1 PHE 23 9.129 -4.172 -0.795 206 HD2 PHE 23 HD2 PHE 23 6.121 -1.733 1.050 207 HE1 PHE 23 HE1 PHE 23 9.773 -2.280 -2.247 208 HE2 PHE 23 HE2 PHE 23 6.771 0.168 -0.381 209 HZ PHE 23 HZ PHE 23 8.611 -0.093 -2.035 210 HA PRO 24 HA PRO 24 2.907 -7.302 1.187 211 1HB PRO 24 HB2 PRO 24 2.127 -8.323 -1.228 212 2HB PRO 24 HB1 PRO 24 1.592 -6.745 -0.624 213 1HG PRO 24 HG2 PRO 24 3.583 -7.372 -2.752 214 2HG PRO 24 HG1 PRO 24 2.512 -5.969 -2.579 215 1HD PRO 24 HD2 PRO 24 5.244 -6.027 -1.898 216 2HD PRO 24 HD1 PRO 24 4.079 -4.799 -1.381 217 H GLY 25 HN GLY 25 2.850 -9.598 1.552 218 1HA GLY 25 HA2 GLY 25 3.816 -11.728 1.780 219 2HA GLY 25 HA1 GLY 25 4.287 -11.555 0.087 220 H GLY 26 HN GLY 26 5.252 -10.347 3.313 221 1HA GLY 26 HA2 GLY 26 7.499 -10.611 4.193 222 2HA GLY 26 HA1 GLY 26 8.085 -10.827 2.542 223 H GLY 27 HN GLY 27 6.425 -8.338 4.521 224 1HA GLY 27 HA2 GLY 27 8.254 -6.306 4.323 225 2HA GLY 27 HA1 GLY 27 7.291 -6.180 2.842 226 H GLN 28 HN GLN 28 7.291 -5.676 6.242 227 HA GLN 28 HA GLN 28 4.632 -5.636 6.966 228 1HB GLN 28 HB2 GLN 28 6.493 -3.382 7.692 229 2HB GLN 28 HB1 GLN 28 5.271 -4.164 8.668 230 1HG GLN 28 HG2 GLN 28 6.951 -6.255 7.984 231 2HG GLN 28 HG1 GLN 28 8.051 -4.911 8.292 232 1HE2 GLN 28 HE2 GLN 28 6.906 -3.526 10.360 233 2HE2 GLN 28 HE2 GLN 28 6.680 -4.522 11.716 234 H ILE 29 HN ILE 29 6.026 -3.827 4.443 235 HA ILE 29 HA ILE 29 5.013 -2.365 2.926 236 HB ILE 29 HB ILE 29 2.750 -2.073 2.872 237 1HG1 ILE 29 HG1 ILE 29 1.486 -1.938 5.248 238 2HG1 ILE 29 HG1 ILE 29 3.078 -1.367 5.749 239 1HG2 ILE 29 HG2 ILE 29 3.442 -4.500 4.001 240 2HG2 ILE 29 HG2 ILE 29 1.873 -4.096 3.313 241 3HG2 ILE 29 HG2 ILE 29 2.147 -3.926 5.046 242 1HD1 ILE 29 HD1 ILE 29 1.127 0.200 4.581 243 2HD1 ILE 29 HD1 ILE 29 2.182 -0.185 3.221 244 3HD1 ILE 29 HD1 ILE 29 2.844 0.597 4.657 245 H VAL 30 HN VAL 30 5.877 -1.787 6.073 246 HA VAL 30 HA VAL 30 5.588 1.146 5.691 247 HB VAL 30 HB VAL 30 6.249 -0.452 8.180 248 1HG1 VAL 30 HG1 VAL 30 7.165 1.598 8.699 249 2HG1 VAL 30 HG1 VAL 30 5.485 1.959 9.094 250 3HG1 VAL 30 HG1 VAL 30 6.153 2.459 7.540 251 1HG2 VAL 30 HG2 VAL 30 3.710 0.806 7.129 252 2HG2 VAL 30 HG2 VAL 30 3.933 0.475 8.847 253 3HG2 VAL 30 HG2 VAL 30 3.961 -0.850 7.683 254 H GLY 31 HN GLY 31 7.684 -1.003 4.718 255 1HA GLY 31 HA2 GLY 31 9.994 0.680 5.488 256 2HA GLY 31 HA1 GLY 31 10.159 -1.055 5.513 257 H GLY 32 HN GLY 32 8.440 -1.150 2.949 258 1HA GLY 32 HA2 GLY 32 10.750 -0.747 1.242 259 2HA GLY 32 HA1 GLY 32 9.261 -1.438 0.677 260 H VAL 33 HN VAL 33 7.914 0.915 2.010 261 HA VAL 33 HA VAL 33 7.999 2.758 -0.264 262 HB VAL 33 HB VAL 33 6.611 2.775 2.430 263 1HG1 VAL 33 HG1 VAL 33 7.229 5.091 1.929 264 2HG1 VAL 33 HG1 VAL 33 5.497 4.878 1.674 265 3HG1 VAL 33 HG1 VAL 33 6.591 4.933 0.292 266 1HG2 VAL 33 HG2 VAL 33 4.826 3.151 0.271 267 2HG2 VAL 33 HG2 VAL 33 5.038 1.689 1.233 268 3HG2 VAL 33 HG2 VAL 33 5.960 1.906 -0.255 269 H TYR 34 HN TYR 34 9.723 2.096 2.441 270 HA TYR 34 HA TYR 34 10.930 4.767 2.807 271 1HB TYR 34 HB2 TYR 34 11.166 2.235 4.476 272 2HB TYR 34 HB1 TYR 34 11.573 3.876 4.978 273 HD1 TYR 34 HD1 TYR 34 8.770 1.686 3.900 274 HD2 TYR 34 HD2 TYR 34 9.889 5.406 5.710 275 HE1 TYR 34 HE1 TYR 34 6.413 2.131 4.395 276 HE2 TYR 34 HE2 TYR 34 7.522 5.847 6.237 277 HH TYR 34 HH TYR 34 5.025 4.461 4.829 278 H LEU 35 HN LEU 35 11.284 1.751 1.351 279 HA LEU 35 HA LEU 35 14.227 1.779 1.230 280 1HB LEU 35 HB2 LEU 35 12.024 -0.073 0.278 281 2HB LEU 35 HB1 LEU 35 13.692 -0.293 -0.248 282 HG LEU 35 HG LEU 35 13.095 0.076 2.655 283 1HD1 LEU 35 HD1 LEU 35 12.231 -2.168 0.991 284 2HD1 LEU 35 HD1 LEU 35 11.832 -1.806 2.670 285 3HD1 LEU 35 HD1 LEU 35 13.313 -2.682 2.285 286 1HD2 LEU 35 HD2 LEU 35 15.370 -0.519 1.016 287 2HD2 LEU 35 HD2 LEU 35 15.073 -1.900 2.072 288 3HD2 LEU 35 HD2 LEU 35 15.314 -0.296 2.765 289 H LEU 36 HN LEU 36 11.860 3.483 -0.048 290 HA LEU 36 HA LEU 36 12.602 3.382 -2.879 291 1HB LEU 36 HB2 LEU 36 10.658 5.295 -1.585 292 2HB LEU 36 HB1 LEU 36 10.712 4.781 -3.266 293 HG LEU 36 HG LEU 36 9.909 3.165 -0.854 294 1HD1 LEU 36 HD1 LEU 36 7.866 2.816 -2.185 295 2HD1 LEU 36 HD1 LEU 36 8.561 3.755 -3.506 296 3HD1 LEU 36 HD1 LEU 36 8.181 4.538 -1.972 297 1HD2 LEU 36 HD2 LEU 36 11.146 1.532 -1.948 298 2HD2 LEU 36 HD2 LEU 36 10.944 2.291 -3.526 299 3HD2 LEU 36 HD2 LEU 36 9.616 1.378 -2.810 300 HA PRO 37 HA PRO 37 13.983 7.834 -1.819 301 1HB PRO 37 HB2 PRO 37 14.239 8.466 0.843 302 2HB PRO 37 HB1 PRO 37 12.752 8.717 -0.088 303 1HG PRO 37 HG2 PRO 37 13.354 6.636 1.957 304 2HG PRO 37 HG1 PRO 37 11.789 7.301 1.459 305 1HD PRO 37 HD2 PRO 37 12.884 4.808 0.656 306 2HD PRO 37 HD1 PRO 37 11.461 5.598 -0.038 307 H ARG 38 HN ARG 38 15.111 5.877 0.981 308 HA ARG 38 HA ARG 38 17.884 6.680 0.428 309 1HB ARG 38 HB2 ARG 38 18.422 5.653 2.504 310 2HB ARG 38 HB1 ARG 38 16.842 6.396 2.753 311 1HG ARG 38 HG2 ARG 38 15.752 4.221 2.295 312 2HG ARG 38 HG1 ARG 38 17.338 3.479 2.085 313 1HD ARG 38 HD2 ARG 38 16.363 3.151 4.382 314 2HD ARG 38 HD1 ARG 38 17.936 3.949 4.382 315 HE ARG 38 HE ARG 38 15.349 5.418 4.712 316 1HH1 ARG 38 HH1 ARG 38 17.183 4.635 7.045 317 2HH1 ARG 38 HH1 ARG 38 18.030 6.124 7.304 318 1HH2 ARG 38 HH2 ARG 38 17.103 7.489 4.255 319 2HH2 ARG 38 HH2 ARG 38 17.985 7.739 5.725 320 H ARG 39 HN ARG 39 16.422 4.956 -1.539 321 HA ARG 39 HA ARG 39 17.181 2.253 -1.428 322 1HB ARG 39 HB2 ARG 39 15.907 3.756 -3.272 323 2HB ARG 39 HB1 ARG 39 17.482 3.616 -4.055 324 1HG ARG 39 HG2 ARG 39 16.369 1.119 -2.892 325 2HG ARG 39 HG1 ARG 39 15.551 1.747 -4.323 326 1HD ARG 39 HD2 ARG 39 17.179 0.566 -5.418 327 2HD ARG 39 HD1 ARG 39 18.126 2.022 -5.111 328 HE ARG 39 HE ARG 39 19.142 0.862 -3.185 329 1HH1 ARG 39 HH1 ARG 39 16.607 -1.121 -3.727 330 2HH1 ARG 39 HH1 ARG 39 17.510 -2.582 -3.948 331 1HH2 ARG 39 HH2 ARG 39 20.573 -0.970 -4.156 332 2HH2 ARG 39 HH2 ARG 39 19.756 -2.496 -4.191 333 H GLY 40 HN GLY 40 19.260 1.976 -0.540 334 1HA GLY 40 HA2 GLY 40 21.572 1.585 -0.775 335 2HA GLY 40 HA1 GLY 40 21.469 2.212 -2.421 336 HA PRO 41 HA PRO 41 22.015 6.008 0.452 337 1HB PRO 41 HB2 PRO 41 22.418 5.477 3.118 338 2HB PRO 41 HB1 PRO 41 20.817 5.736 2.403 339 1HG PRO 41 HG2 PRO 41 22.071 3.194 3.317 340 2HG PRO 41 HG1 PRO 41 20.356 3.607 3.167 341 1HD PRO 41 HD2 PRO 41 21.872 2.036 1.347 342 2HD PRO 41 HD1 PRO 41 20.238 2.678 1.075 343 H ARG 42 HN ARG 42 23.888 3.196 0.401 344 HA ARG 42 HA ARG 42 26.336 4.717 1.209 345 1HB ARG 42 HB2 ARG 42 27.326 2.363 1.491 346 2HB ARG 42 HB1 ARG 42 26.133 2.863 2.691 347 1HG ARG 42 HG2 ARG 42 24.367 1.690 1.397 348 2HG ARG 42 HG1 ARG 42 25.593 1.143 0.253 349 1HD ARG 42 HD2 ARG 42 25.522 0.506 3.217 350 2HD ARG 42 HD1 ARG 42 25.135 -0.613 1.909 351 HE ARG 42 HE ARG 42 27.786 0.502 1.586 352 1HH1 ARG 42 HH2 ARG 42 26.559 -2.394 1.367 353 2HH1 ARG 42 HH2 ARG 42 27.573 -3.214 2.506 354 1HH2 ARG 42 HH1 ARG 42 28.821 -0.295 3.899 355 2HH2 ARG 42 HH1 ARG 42 28.854 -2.026 3.939 356 H LEU 43 HN LEU 43 27.083 5.505 -0.741 357 HA LEU 43 HA LEU 43 27.586 3.473 -2.876 358 1HB LEU 43 HB2 LEU 43 26.760 6.365 -3.281 359 2HB LEU 43 HB1 LEU 43 27.138 5.213 -4.562 360 HG LEU 43 HG LEU 43 25.224 3.989 -2.835 361 1HD1 LEU 43 HD1 LEU 43 23.457 5.902 -3.675 362 2HD1 LEU 43 HD1 LEU 43 24.854 6.891 -3.251 363 3HD1 LEU 43 HD1 LEU 43 24.129 5.825 -2.047 364 1HD2 LEU 43 HD2 LEU 43 23.870 4.603 -5.121 365 2HD2 LEU 43 HD2 LEU 43 25.008 3.262 -4.991 366 3HD2 LEU 43 HD2 LEU 43 25.535 4.804 -5.667 367 H GLY 44 HN GLY 44 29.195 4.886 -0.632 368 1HA GLY 44 HA2 GLY 44 31.737 4.819 -1.522 369 2HA GLY 44 HA1 GLY 44 31.207 6.349 -2.223 Start of MODEL 2 1 1H SER 1 HT1 SER 1 -23.776 -8.924 6.231 2 2H SER 1 HT2 SER 1 -22.902 -7.917 7.282 3 3H SER 1 HT3 SER 1 -22.098 -8.767 6.050 4 HA SER 1 HA SER 1 -24.215 -7.090 5.068 5 1HB SER 1 HB2 SER 1 -23.003 -5.927 7.155 6 2HB SER 1 HB1 SER 1 -21.784 -5.586 5.930 7 HG SER 1 HG SER 1 -24.550 -5.089 5.556 8 H THR 2 HN THR 2 -23.485 -6.175 3.028 9 HA THR 2 HA THR 2 -22.289 -6.273 1.013 10 HB THR 2 HB THR 2 -20.017 -6.702 2.973 11 HG1 THR 2 HG1 THR 2 -20.668 -4.437 1.416 12 1HG2 THR 2 HG2 THR 2 -20.109 -6.915 0.073 13 2HG2 THR 2 HG2 THR 2 -18.785 -7.286 1.179 14 3HG2 THR 2 HG2 THR 2 -19.012 -5.637 0.596 15 H ASN 3 HN ASN 3 -20.085 -8.536 2.559 16 HA ASN 3 HA ASN 3 -21.495 -10.914 1.651 17 1HB ASN 3 HB2 ASN 3 -20.458 -9.830 -0.460 18 2HB ASN 3 HB1 ASN 3 -18.903 -10.331 0.216 19 1HD2 ASN 3 HD2 ASN 3 -18.256 -12.390 -0.410 20 2HD2 ASN 3 HD2 ASN 3 -19.298 -13.636 -0.901 21 HA PRO 4 HA PRO 4 -18.416 -11.590 4.974 22 1HB PRO 4 HB2 PRO 4 -20.176 -12.925 6.609 23 2HB PRO 4 HB1 PRO 4 -19.984 -11.164 6.610 24 1HG PRO 4 HG2 PRO 4 -22.200 -12.810 5.482 25 2HG PRO 4 HG1 PRO 4 -22.230 -11.137 6.065 26 1HD PRO 4 HD2 PRO 4 -22.146 -11.950 3.352 27 2HD PRO 4 HD1 PRO 4 -21.852 -10.306 3.962 28 H LYS 5 HN LYS 5 -17.817 -13.085 2.975 29 HA LYS 5 HA LYS 5 -18.833 -15.818 3.100 30 1HB LYS 5 HB2 LYS 5 -17.334 -14.255 1.255 31 2HB LYS 5 HB1 LYS 5 -16.353 -15.660 1.673 32 1HG LYS 5 HG2 LYS 5 -18.791 -16.833 1.381 33 2HG LYS 5 HG1 LYS 5 -18.925 -15.521 0.210 34 1HD LYS 5 HD2 LYS 5 -17.641 -16.677 -1.228 35 2HD LYS 5 HD1 LYS 5 -16.321 -16.657 -0.057 36 1HE LYS 5 HE2 LYS 5 -16.578 -18.873 0.224 37 2HE LYS 5 HE1 LYS 5 -18.196 -18.577 0.862 38 1HZ LYS 5 HZ1 LYS 5 -19.030 -18.576 -1.425 39 2HZ LYS 5 HZ2 LYS 5 -18.302 -20.057 -1.019 40 3HZ LYS 5 HZ3 LYS 5 -17.474 -18.940 -1.997 41 HA PRO 6 HA PRO 6 -14.522 -16.654 4.968 42 1HB PRO 6 HB2 PRO 6 -12.928 -14.485 5.528 43 2HB PRO 6 HB1 PRO 6 -12.910 -15.340 3.975 44 1HG PRO 6 HG2 PRO 6 -14.082 -12.682 4.640 45 2HG PRO 6 HG1 PRO 6 -13.497 -13.292 3.084 46 1HD PRO 6 HD2 PRO 6 -16.207 -13.101 3.887 47 2HD PRO 6 HD1 PRO 6 -15.593 -13.983 2.472 48 H GLN 7 HN GLN 7 -13.772 -16.657 7.231 49 HA GLN 7 HA GLN 7 -15.682 -15.240 9.028 50 1HB GLN 7 HB2 GLN 7 -14.039 -17.753 9.287 51 2HB GLN 7 HB1 GLN 7 -14.654 -16.935 10.722 52 1HG GLN 7 HG2 GLN 7 -16.952 -17.030 9.730 53 2HG GLN 7 HG1 GLN 7 -16.295 -17.986 8.401 54 1HE2 GLN 7 HE2 GLN 7 -18.277 -18.902 10.415 55 2HE2 GLN 7 HE2 GLN 7 -17.563 -20.217 11.216 56 H ARG 8 HN ARG 8 -14.839 -13.345 9.770 57 HA ARG 8 HA ARG 8 -13.269 -11.795 10.581 58 1HB ARG 8 HB2 ARG 8 -12.794 -14.360 11.960 59 2HB ARG 8 HB1 ARG 8 -11.422 -13.252 11.994 60 1HG ARG 8 HG2 ARG 8 -13.153 -11.450 12.676 61 2HG ARG 8 HG1 ARG 8 -14.215 -12.811 13.041 62 1HD ARG 8 HD2 ARG 8 -11.405 -12.642 14.138 63 2HD ARG 8 HD1 ARG 8 -12.779 -11.921 14.978 64 HE ARG 8 HE ARG 8 -12.732 -14.832 14.297 65 1HH1 ARG 8 HH1 ARG 8 -15.121 -13.489 15.607 66 2HH1 ARG 8 HH1 ARG 8 -14.860 -13.880 17.274 67 1HH2 ARG 8 HH2 ARG 8 -11.542 -14.780 16.818 68 2HH2 ARG 8 HH2 ARG 8 -12.833 -14.610 17.959 69 H LYS 9 HN LYS 9 -12.643 -11.841 8.144 70 HA LYS 9 HA LYS 9 -9.777 -11.747 7.961 71 1HB LYS 9 HB2 LYS 9 -9.812 -14.139 7.842 72 2HB LYS 9 HB1 LYS 9 -11.185 -14.130 6.736 73 1HG LYS 9 HG2 LYS 9 -9.881 -13.715 4.918 74 2HG LYS 9 HG1 LYS 9 -8.838 -12.600 5.802 75 1HD LYS 9 HD2 LYS 9 -7.701 -14.495 6.880 76 2HD LYS 9 HD1 LYS 9 -8.758 -15.623 6.030 77 1HE LYS 9 HE2 LYS 9 -7.651 -15.374 4.051 78 2HE LYS 9 HE1 LYS 9 -7.361 -13.655 4.315 79 1HZ LYS 9 HZ1 LYS 9 -5.971 -15.414 6.138 80 2HZ LYS 9 HZ2 LYS 9 -5.405 -14.050 5.296 81 3HZ LYS 9 HZ3 LYS 9 -5.485 -15.559 4.519 82 H THR 10 HN THR 10 -9.128 -10.758 5.968 83 HA THR 10 HA THR 10 -11.136 -10.341 3.865 84 HB THR 10 HB THR 10 -9.988 -7.842 5.064 85 HG1 THR 10 HG1 THR 10 -12.279 -7.963 6.100 86 1HG2 THR 10 HG2 THR 10 -12.443 -8.610 3.480 87 2HG2 THR 10 HG2 THR 10 -11.122 -7.550 2.989 88 3HG2 THR 10 HG2 THR 10 -12.262 -7.024 4.229 89 H LYS 11 HN LYS 11 -10.170 -9.691 1.913 90 HA LYS 11 HA LYS 11 -7.501 -8.642 1.720 91 1HB LYS 11 HB2 LYS 11 -6.960 -10.958 2.483 92 2HB LYS 11 HB1 LYS 11 -7.796 -11.588 1.063 93 1HG LYS 11 HG2 LYS 11 -6.244 -10.367 -0.408 94 2HG LYS 11 HG1 LYS 11 -5.411 -9.715 1.003 95 1HD LYS 11 HD2 LYS 11 -4.787 -11.976 1.713 96 2HD LYS 11 HD1 LYS 11 -5.673 -12.666 0.353 97 1HE LYS 11 HE2 LYS 11 -4.190 -11.500 -1.225 98 2HE LYS 11 HE1 LYS 11 -3.311 -10.777 0.124 99 1HZ LYS 11 HZ1 LYS 11 -2.048 -12.578 0.151 100 2HZ LYS 11 HZ2 LYS 11 -2.999 -13.339 -1.032 101 3HZ LYS 11 HZ3 LYS 11 -3.396 -13.497 0.612 102 H ARG 12 HN ARG 12 -9.704 -10.887 0.002 103 HA ARG 12 HA ARG 12 -10.613 -10.745 -2.157 104 1HB ARG 12 HB2 ARG 12 -9.917 -7.816 -1.773 105 2HB ARG 12 HB1 ARG 12 -10.916 -8.450 -3.081 106 1HG ARG 12 HG2 ARG 12 -11.513 -8.668 -0.115 107 2HG ARG 12 HG1 ARG 12 -12.346 -7.624 -1.269 108 1HD ARG 12 HD2 ARG 12 -12.565 -10.046 -2.512 109 2HD ARG 12 HD1 ARG 12 -12.622 -10.532 -0.817 110 HE ARG 12 HE ARG 12 -14.377 -8.290 -1.296 111 1HH1 ARG 12 HH2 ARG 12 -14.566 -11.174 0.080 112 2HH1 ARG 12 HH2 ARG 12 -16.001 -11.739 -0.709 113 1HH2 ARG 12 HH1 ARG 12 -15.992 -9.232 -3.104 114 2HH2 ARG 12 HH1 ARG 12 -16.807 -10.641 -2.510 115 H ASN 13 HN ASN 13 -9.651 -11.380 -4.034 116 HA ASN 13 HA ASN 13 -7.022 -10.151 -4.746 117 1HB ASN 13 HB2 ASN 13 -6.582 -12.592 -5.682 118 2HB ASN 13 HB1 ASN 13 -6.256 -12.212 -3.991 119 1HD2 ASN 13 HD2 ASN 13 -6.993 -13.912 -2.715 120 2HD2 ASN 13 HD2 ASN 13 -8.456 -14.743 -2.945 121 H THR 14 HN THR 14 -6.782 -9.713 -6.931 122 HA THR 14 HA THR 14 -8.352 -10.979 -8.995 123 HB THR 14 HB THR 14 -10.091 -9.526 -7.890 124 HG1 THR 14 HG1 THR 14 -10.909 -9.155 -9.803 125 1HG2 THR 14 HG2 THR 14 -8.371 -7.275 -8.966 126 2HG2 THR 14 HG2 THR 14 -8.504 -7.705 -7.261 127 3HG2 THR 14 HG2 THR 14 -9.916 -7.110 -8.133 128 H ASN 15 HN ASN 15 -6.629 -8.010 -8.045 129 HA ASN 15 HA ASN 15 -4.696 -8.372 -10.186 130 1HB ASN 15 HB2 ASN 15 -6.803 -7.304 -11.263 131 2HB ASN 15 HB1 ASN 15 -6.344 -5.852 -10.374 132 1HD2 ASN 15 HD2 ASN 15 -5.026 -4.481 -11.566 133 2HD2 ASN 15 HD2 ASN 15 -3.941 -4.971 -12.776 134 H ARG 16 HN ARG 16 -2.862 -7.806 -9.090 135 HA ARG 16 HA ARG 16 -2.959 -5.982 -6.841 136 1HB ARG 16 HB2 ARG 16 -1.110 -7.921 -8.051 137 2HB ARG 16 HB1 ARG 16 -0.328 -6.515 -7.355 138 1HG ARG 16 HG2 ARG 16 -1.742 -6.898 -5.278 139 2HG ARG 16 HG1 ARG 16 -2.199 -8.447 -5.988 140 1HD ARG 16 HD2 ARG 16 0.709 -7.731 -5.790 141 2HD ARG 16 HD1 ARG 16 -0.134 -8.316 -4.356 142 HE ARG 16 HE ARG 16 -0.827 -10.223 -6.143 143 1HH1 ARG 16 HH2 ARG 16 2.119 -8.875 -5.018 144 2HH1 ARG 16 HH2 ARG 16 3.113 -10.118 -5.702 145 1HH2 ARG 16 HH1 ARG 16 0.472 -11.745 -7.253 146 2HH2 ARG 16 HH1 ARG 16 2.180 -11.741 -6.969 147 H ARG 17 HN ARG 17 -1.098 -4.393 -6.786 148 HA ARG 17 HA ARG 17 0.227 -3.106 -8.801 149 1HB ARG 17 HB2 ARG 17 -2.564 -2.832 -9.334 150 2HB ARG 17 HB1 ARG 17 -1.974 -1.258 -8.805 151 1HG ARG 17 HG2 ARG 17 -1.553 -1.229 -11.113 152 2HG ARG 17 HG1 ARG 17 0.002 -1.686 -10.419 153 1HD ARG 17 HD2 ARG 17 -0.468 -4.051 -10.851 154 2HD ARG 17 HD1 ARG 17 -2.060 -3.635 -11.487 155 HE ARG 17 HE ARG 17 0.320 -2.457 -12.817 156 1HH1 ARG 17 HH2 ARG 17 -2.783 -2.952 -13.503 157 2HH1 ARG 17 HH2 ARG 17 -2.570 -3.992 -14.872 158 1HH2 ARG 17 HH1 ARG 17 0.803 -4.529 -14.272 159 2HH2 ARG 17 HH1 ARG 17 -0.539 -4.884 -15.308 160 HA PRO 18 HA PRO 18 -0.680 -0.046 -5.245 161 1HB PRO 18 HB2 PRO 18 -2.867 -0.533 -3.679 162 2HB PRO 18 HB1 PRO 18 -2.936 0.429 -5.149 163 1HG PRO 18 HG2 PRO 18 -3.901 -2.347 -4.705 164 2HG PRO 18 HG1 PRO 18 -4.505 -1.119 -5.831 165 1HD PRO 18 HD2 PRO 18 -2.833 -3.286 -6.507 166 2HD PRO 18 HD1 PRO 18 -3.148 -1.856 -7.511 167 H GLN 19 HN GLN 19 -1.442 -3.306 -4.999 168 HA GLN 19 HA GLN 19 -0.479 -3.705 -2.266 169 1HB GLN 19 HB2 GLN 19 -2.001 -5.117 -4.266 170 2HB GLN 19 HB1 GLN 19 -0.874 -6.114 -3.380 171 1HG GLN 19 HG2 GLN 19 -2.156 -6.079 -1.536 172 2HG GLN 19 HG1 GLN 19 -2.216 -4.317 -1.588 173 1HE2 GLN 19 HE2 GLN 19 -3.993 -3.310 -2.799 174 2HE2 GLN 19 HE2 GLN 19 -5.385 -4.195 -3.203 175 H ASP 20 HN ASP 20 1.313 -2.765 -3.916 176 HA ASP 20 HA ASP 20 3.415 -4.827 -3.884 177 1HB ASP 20 HB2 ASP 20 2.687 -5.032 -6.114 178 2HB ASP 20 HB1 ASP 20 2.523 -3.313 -6.334 179 H VAL 21 HN VAL 21 2.484 -1.478 -4.554 180 HA VAL 21 HA VAL 21 5.202 -0.665 -4.208 181 HB VAL 21 HB VAL 21 2.704 1.044 -4.290 182 1HG1 VAL 21 HG1 VAL 21 4.408 2.381 -3.320 183 2HG1 VAL 21 HG1 VAL 21 4.446 2.792 -5.034 184 3HG1 VAL 21 HG1 VAL 21 5.653 1.695 -4.363 185 1HG2 VAL 21 HG2 VAL 21 4.615 0.030 -6.396 186 2HG2 VAL 21 HG2 VAL 21 3.667 1.494 -6.656 187 3HG2 VAL 21 HG2 VAL 21 2.853 -0.048 -6.385 188 H LYS 22 HN LYS 22 3.179 -1.799 -2.046 189 HA LYS 22 HA LYS 22 3.959 0.033 0.089 190 1HB LYS 22 HB2 LYS 22 2.287 -1.461 1.371 191 2HB LYS 22 HB1 LYS 22 1.614 -0.368 0.156 192 1HG LYS 22 HG2 LYS 22 1.172 -2.066 -1.336 193 2HG LYS 22 HG1 LYS 22 2.516 -3.050 -0.762 194 1HD LYS 22 HD2 LYS 22 0.375 -4.063 -0.131 195 2HD LYS 22 HD1 LYS 22 1.289 -3.570 1.294 196 1HE LYS 22 HE2 LYS 22 -0.033 -1.493 1.432 197 2HE LYS 22 HE1 LYS 22 -0.945 -1.974 0.002 198 1HZ LYS 22 HZ1 LYS 22 -0.931 -4.061 1.911 199 2HZ LYS 22 HZ2 LYS 22 -2.255 -3.235 1.239 200 3HZ LYS 22 HZ3 LYS 22 -1.489 -2.630 2.630 201 H PHE 23 HN PHE 23 5.039 -2.520 -1.509 202 HA PHE 23 HA PHE 23 6.291 -4.399 -1.088 203 1HB PHE 23 HB2 PHE 23 7.229 -2.578 1.056 204 2HB PHE 23 HB1 PHE 23 8.144 -3.895 0.326 205 HD1 PHE 23 HD1 PHE 23 8.815 -3.821 -2.033 206 HD2 PHE 23 HD2 PHE 23 6.817 -0.526 -0.150 207 HE1 PHE 23 HE1 PHE 23 9.314 -2.406 -3.994 208 HE2 PHE 23 HE2 PHE 23 7.326 0.903 -2.098 209 HZ PHE 23 HZ PHE 23 8.588 -0.028 -4.030 210 HA PRO 24 HA PRO 24 3.212 -5.575 1.996 211 1HB PRO 24 HB2 PRO 24 1.887 -7.131 0.184 212 2HB PRO 24 HB1 PRO 24 1.579 -5.397 0.372 213 1HG PRO 24 HG2 PRO 24 3.033 -6.826 -1.800 214 2HG PRO 24 HG1 PRO 24 2.116 -5.312 -1.851 215 1HD PRO 24 HD2 PRO 24 4.924 -5.519 -1.700 216 2HD PRO 24 HD1 PRO 24 3.971 -4.056 -1.399 217 H GLY 25 HN GLY 25 3.904 -7.961 -0.570 218 1HA GLY 25 HA2 GLY 25 4.189 -10.195 1.094 219 2HA GLY 25 HA1 GLY 25 5.010 -10.036 -0.462 220 H GLY 26 HN GLY 26 6.361 -7.531 0.602 221 1HA GLY 26 HA2 GLY 26 8.846 -8.619 1.324 222 2HA GLY 26 HA1 GLY 26 8.345 -6.976 1.731 223 H GLY 27 HN GLY 27 6.823 -6.838 3.687 224 1HA GLY 27 HA2 GLY 27 6.947 -9.050 5.590 225 2HA GLY 27 HA1 GLY 27 8.000 -7.702 6.022 226 H GLN 28 HN GLN 28 7.031 -5.679 6.573 227 HA GLN 28 HA GLN 28 4.211 -5.944 7.457 228 1HB GLN 28 HB2 GLN 28 6.512 -4.994 8.710 229 2HB GLN 28 HB1 GLN 28 5.601 -3.535 8.303 230 1HG GLN 28 HG2 GLN 28 3.587 -4.536 9.293 231 2HG GLN 28 HG1 GLN 28 4.530 -5.955 9.747 232 1HE2 GLN 28 HE2 GLN 28 3.176 -4.007 11.583 233 2HE2 GLN 28 HE2 GLN 28 4.405 -3.368 12.565 234 H ILE 29 HN ILE 29 6.100 -4.438 5.105 235 HA ILE 29 HA ILE 29 5.432 -3.105 3.279 236 HB ILE 29 HB ILE 29 3.232 -2.604 2.855 237 1HG1 ILE 29 HG1 ILE 29 1.672 -2.346 5.080 238 2HG1 ILE 29 HG1 ILE 29 3.212 -1.731 5.681 239 1HG2 ILE 29 HG2 ILE 29 3.608 -5.023 4.161 240 2HG2 ILE 29 HG2 ILE 29 2.199 -4.569 3.201 241 3HG2 ILE 29 HG2 ILE 29 2.185 -4.341 4.949 242 1HD1 ILE 29 HD1 ILE 29 2.857 0.203 4.599 243 2HD1 ILE 29 HD1 ILE 29 1.338 -0.421 3.960 244 3HD1 ILE 29 HD1 ILE 29 2.838 -0.668 3.066 245 H VAL 30 HN VAL 30 5.678 -2.214 6.511 246 HA VAL 30 HA VAL 30 5.638 0.674 5.885 247 HB VAL 30 HB VAL 30 6.257 -0.766 8.479 248 1HG1 VAL 30 HG1 VAL 30 6.609 1.936 7.674 249 2HG1 VAL 30 HG1 VAL 30 6.778 1.266 9.296 250 3HG1 VAL 30 HG1 VAL 30 5.222 1.903 8.763 251 1HG2 VAL 30 HG2 VAL 30 3.772 -0.326 7.098 252 2HG2 VAL 30 HG2 VAL 30 3.787 0.646 8.569 253 3HG2 VAL 30 HG2 VAL 30 4.034 -1.099 8.662 254 H GLY 31 HN GLY 31 7.709 -1.520 5.043 255 1HA GLY 31 HA2 GLY 31 10.042 0.149 5.795 256 2HA GLY 31 HA1 GLY 31 10.167 -1.592 5.877 257 H GLY 32 HN GLY 32 8.332 -1.412 3.293 258 1HA GLY 32 HA2 GLY 32 10.673 -1.357 1.557 259 2HA GLY 32 HA1 GLY 32 9.127 -1.924 1.040 260 H VAL 33 HN VAL 33 8.005 0.548 2.335 261 HA VAL 33 HA VAL 33 8.223 2.361 0.031 262 HB VAL 33 HB VAL 33 6.785 2.444 2.701 263 1HG1 VAL 33 HG1 VAL 33 5.782 4.622 1.521 264 2HG1 VAL 33 HG1 VAL 33 7.382 4.665 0.780 265 3HG1 VAL 33 HG1 VAL 33 7.222 4.714 2.536 266 1HG2 VAL 33 HG2 VAL 33 6.133 1.604 0.034 267 2HG2 VAL 33 HG2 VAL 33 5.134 3.001 0.434 268 3HG2 VAL 33 HG2 VAL 33 5.109 1.574 1.469 269 H TYR 34 HN TYR 34 9.854 1.580 2.757 270 HA TYR 34 HA TYR 34 11.228 4.162 3.153 271 1HB TYR 34 HB2 TYR 34 11.332 1.610 4.802 272 2HB TYR 34 HB1 TYR 34 11.806 3.231 5.317 273 HD1 TYR 34 HD1 TYR 34 8.911 1.165 4.211 274 HD2 TYR 34 HD2 TYR 34 10.184 4.819 6.061 275 HE1 TYR 34 HE1 TYR 34 6.570 1.716 4.701 276 HE2 TYR 34 HE2 TYR 34 7.835 5.361 6.584 277 HH TYR 34 HH TYR 34 5.668 4.091 6.908 278 H LEU 35 HN LEU 35 11.367 1.290 1.495 279 HA LEU 35 HA LEU 35 14.293 1.034 1.440 280 1HB LEU 35 HB2 LEU 35 13.730 -1.149 0.987 281 2HB LEU 35 HB1 LEU 35 12.046 -0.692 1.096 282 HG LEU 35 HG LEU 35 12.285 0.096 -1.346 283 1HD1 LEU 35 HD1 LEU 35 14.250 -1.931 -1.948 284 2HD1 LEU 35 HD1 LEU 35 14.947 -0.750 -0.837 285 3HD1 LEU 35 HD1 LEU 35 14.270 -0.221 -2.377 286 1HD2 LEU 35 HD2 LEU 35 12.246 -2.481 -2.033 287 2HD2 LEU 35 HD2 LEU 35 10.921 -1.758 -1.121 288 3HD2 LEU 35 HD2 LEU 35 12.158 -2.697 -0.285 289 H LEU 36 HN LEU 36 11.933 2.915 0.176 290 HA LEU 36 HA LEU 36 12.796 3.051 -2.588 291 1HB LEU 36 HB2 LEU 36 10.951 4.969 -1.156 292 2HB LEU 36 HB1 LEU 36 11.001 4.598 -2.875 293 HG LEU 36 HG LEU 36 10.192 2.710 -0.651 294 1HD1 LEU 36 HD1 LEU 36 8.657 3.964 -2.949 295 2HD1 LEU 36 HD1 LEU 36 8.470 4.355 -1.240 296 3HD1 LEU 36 HD1 LEU 36 8.007 2.761 -1.834 297 1HD2 LEU 36 HD2 LEU 36 10.801 1.062 -2.070 298 2HD2 LEU 36 HD2 LEU 36 11.210 2.228 -3.328 299 3HD2 LEU 36 HD2 LEU 36 9.555 1.639 -3.176 300 HA PRO 37 HA PRO 37 14.579 7.222 -1.084 301 1HB PRO 37 HB2 PRO 37 14.741 7.603 1.634 302 2HB PRO 37 HB1 PRO 37 13.339 8.089 0.663 303 1HG PRO 37 HG2 PRO 37 13.610 5.799 2.545 304 2HG PRO 37 HG1 PRO 37 12.151 6.659 2.029 305 1HD PRO 37 HD2 PRO 37 13.049 4.139 1.066 306 2HD PRO 37 HD1 PRO 37 11.740 5.115 0.389 307 H ARG 38 HN ARG 38 15.235 4.805 1.482 308 HA ARG 38 HA ARG 38 18.129 5.292 1.261 309 1HB ARG 38 HB2 ARG 38 18.332 3.908 3.197 310 2HB ARG 38 HB1 ARG 38 16.872 4.867 3.446 311 1HG ARG 38 HG2 ARG 38 15.676 2.979 3.659 312 2HG ARG 38 HG1 ARG 38 16.111 2.528 2.010 313 1HD ARG 38 HD2 ARG 38 17.799 1.124 2.693 314 2HD ARG 38 HD1 ARG 38 18.182 2.105 4.108 315 HE ARG 38 HE ARG 38 15.610 0.649 4.177 316 1HH1 ARG 38 HH1 ARG 38 18.163 -1.104 4.211 317 2HH1 ARG 38 HH1 ARG 38 18.369 -1.316 5.918 318 1HH2 ARG 38 HH2 ARG 38 16.192 1.246 6.768 319 2HH2 ARG 38 HH2 ARG 38 17.254 0.013 7.365 320 H ARG 39 HN ARG 39 16.905 4.249 -1.107 321 HA ARG 39 HA ARG 39 16.935 1.497 -1.487 322 1HB ARG 39 HB2 ARG 39 16.310 2.705 -3.378 323 2HB ARG 39 HB1 ARG 39 17.641 3.848 -3.213 324 1HG ARG 39 HG2 ARG 39 19.170 2.424 -4.208 325 2HG ARG 39 HG1 ARG 39 18.264 0.977 -3.769 326 1HD ARG 39 HD2 ARG 39 16.433 1.947 -5.367 327 2HD ARG 39 HD1 ARG 39 17.761 2.905 -6.022 328 HE ARG 39 HE ARG 39 17.565 -0.060 -6.131 329 1HH1 ARG 39 HH1 ARG 39 18.224 2.732 -7.832 330 2HH1 ARG 39 HH1 ARG 39 19.641 2.135 -8.629 331 1HH2 ARG 39 HH2 ARG 39 19.796 -0.774 -6.749 332 2HH2 ARG 39 HH2 ARG 39 20.531 0.150 -8.016 333 H GLY 40 HN GLY 40 19.613 3.631 -0.833 334 1HA GLY 40 HA2 GLY 40 21.898 3.192 -0.531 335 2HA GLY 40 HA1 GLY 40 21.390 1.555 -0.116 336 HA PRO 41 HA PRO 41 22.542 1.779 -4.793 337 1HB PRO 41 HB2 PRO 41 24.528 3.614 -5.298 338 2HB PRO 41 HB1 PRO 41 22.801 3.968 -5.469 339 1HG PRO 41 HG2 PRO 41 24.688 4.828 -3.326 340 2HG PRO 41 HG1 PRO 41 23.207 5.612 -3.897 341 1HD PRO 41 HD2 PRO 41 23.459 4.069 -1.538 342 2HD PRO 41 HD1 PRO 41 21.933 4.570 -2.299 343 H ARG 42 HN ARG 42 24.590 0.931 -5.839 344 HA ARG 42 HA ARG 42 26.397 -0.181 -3.746 345 1HB ARG 42 HB2 ARG 42 25.409 -1.133 -6.393 346 2HB ARG 42 HB1 ARG 42 27.045 -1.605 -5.931 347 1HG ARG 42 HG2 ARG 42 26.129 -2.421 -3.743 348 2HG ARG 42 HG1 ARG 42 24.505 -2.086 -4.349 349 1HD ARG 42 HD2 ARG 42 24.543 -4.180 -5.197 350 2HD ARG 42 HD1 ARG 42 25.663 -3.549 -6.405 351 HE ARG 42 HE ARG 42 27.416 -4.165 -4.480 352 1HH1 ARG 42 HH1 ARG 42 26.525 -6.112 -6.726 353 2HH1 ARG 42 HH1 ARG 42 26.281 -7.555 -5.801 354 1HH2 ARG 42 HH2 ARG 42 26.271 -5.911 -2.747 355 2HH2 ARG 42 HH2 ARG 42 26.137 -7.441 -3.548 356 H LEU 43 HN LEU 43 26.301 2.098 -6.295 357 HA LEU 43 HA LEU 43 29.233 1.976 -6.726 358 1HB LEU 43 HB2 LEU 43 26.930 3.019 -8.201 359 2HB LEU 43 HB1 LEU 43 28.269 4.165 -8.135 360 HG LEU 43 HG LEU 43 29.643 1.900 -8.670 361 1HD1 LEU 43 HD1 LEU 43 27.048 1.583 -10.200 362 2HD1 LEU 43 HD1 LEU 43 27.442 0.642 -8.761 363 3HD1 LEU 43 HD1 LEU 43 28.438 0.498 -10.210 364 1HD2 LEU 43 HD2 LEU 43 28.894 4.248 -10.023 365 2HD2 LEU 43 HD2 LEU 43 28.541 2.938 -11.150 366 3HD2 LEU 43 HD2 LEU 43 30.168 3.123 -10.494 367 H GLY 44 HN GLY 44 29.284 2.604 -4.275 368 1HA GLY 44 HA2 GLY 44 30.013 5.413 -4.139 369 2HA GLY 44 HA1 GLY 44 28.545 5.065 -3.223 Start of MODEL 3 1 1H SER 1 HT1 SER 1 -41.564 -4.621 -1.668 2 2H SER 1 HT2 SER 1 -40.781 -6.123 -1.801 3 3H SER 1 HT3 SER 1 -42.421 -6.052 -1.360 4 HA SER 1 HA SER 1 -43.141 -5.768 -3.460 5 1HB SER 1 HB2 SER 1 -42.312 -4.149 -4.853 6 2HB SER 1 HB1 SER 1 -41.484 -3.627 -3.389 7 HG SER 1 HG SER 1 -39.863 -3.865 -4.798 8 H THR 2 HN THR 2 -42.607 -6.815 -5.608 9 HA THR 2 HA THR 2 -40.890 -9.174 -5.108 10 HB THR 2 HB THR 2 -42.015 -10.191 -6.961 11 HG1 THR 2 HG1 THR 2 -43.277 -8.965 -8.366 12 1HG2 THR 2 HG2 THR 2 -44.485 -9.521 -6.447 13 2HG2 THR 2 HG2 THR 2 -43.770 -8.494 -5.205 14 3HG2 THR 2 HG2 THR 2 -43.515 -10.238 -5.162 15 H ASN 3 HN ASN 3 -38.951 -7.660 -5.265 16 HA ASN 3 HA ASN 3 -37.651 -7.996 -7.791 17 1HB ASN 3 HB2 ASN 3 -39.399 -5.950 -7.995 18 2HB ASN 3 HB1 ASN 3 -38.012 -5.079 -7.331 19 1HD2 ASN 3 HD2 ASN 3 -36.826 -4.180 -9.019 20 2HD2 ASN 3 HD2 ASN 3 -36.502 -4.944 -10.500 21 HA PRO 4 HA PRO 4 -34.834 -7.247 -4.310 22 1HB PRO 4 HB2 PRO 4 -33.040 -9.172 -5.109 23 2HB PRO 4 HB1 PRO 4 -34.468 -9.514 -4.117 24 1HG PRO 4 HG2 PRO 4 -34.010 -10.091 -7.008 25 2HG PRO 4 HG1 PRO 4 -35.062 -10.922 -5.851 26 1HD PRO 4 HD2 PRO 4 -35.905 -9.064 -7.808 27 2HD PRO 4 HD1 PRO 4 -36.871 -9.639 -6.430 28 H LYS 5 HN LYS 5 -32.770 -6.191 -4.314 29 HA LYS 5 HA LYS 5 -31.941 -5.177 -6.989 30 1HB LYS 5 HB2 LYS 5 -32.052 -4.053 -4.282 31 2HB LYS 5 HB1 LYS 5 -30.521 -3.739 -5.101 32 1HG LYS 5 HG2 LYS 5 -32.716 -3.367 -6.942 33 2HG LYS 5 HG1 LYS 5 -32.970 -2.391 -5.495 34 1HD LYS 5 HD2 LYS 5 -30.308 -2.449 -6.920 35 2HD LYS 5 HD1 LYS 5 -31.585 -1.326 -7.386 36 1HE LYS 5 HE2 LYS 5 -30.355 -1.565 -4.624 37 2HE LYS 5 HE1 LYS 5 -30.065 -0.260 -5.776 38 1HZ LYS 5 HZ1 LYS 5 -31.831 0.753 -4.941 39 2HZ LYS 5 HZ2 LYS 5 -32.200 -0.578 -3.950 40 3HZ LYS 5 HZ3 LYS 5 -32.810 -0.499 -5.534 41 HA PRO 6 HA PRO 6 -28.499 -8.009 -6.254 42 1HB PRO 6 HB2 PRO 6 -27.770 -8.119 -8.903 43 2HB PRO 6 HB1 PRO 6 -29.053 -9.117 -8.198 44 1HG PRO 6 HG2 PRO 6 -29.292 -6.727 -9.965 45 2HG PRO 6 HG1 PRO 6 -30.409 -8.085 -9.758 46 1HD PRO 6 HD2 PRO 6 -30.704 -5.512 -8.618 47 2HD PRO 6 HD1 PRO 6 -31.610 -6.969 -8.155 48 H GLN 7 HN GLN 7 -26.567 -7.178 -5.555 49 HA GLN 7 HA GLN 7 -25.662 -4.555 -6.518 50 1HB GLN 7 HB2 GLN 7 -24.866 -6.442 -4.333 51 2HB GLN 7 HB1 GLN 7 -23.682 -5.257 -4.887 52 1HG GLN 7 HG2 GLN 7 -26.310 -4.055 -4.544 53 2HG GLN 7 HG1 GLN 7 -25.738 -4.800 -3.051 54 1HE2 GLN 7 HE2 GLN 7 -23.182 -4.302 -2.737 55 2HE2 GLN 7 HE2 GLN 7 -22.764 -2.671 -2.956 56 H ARG 8 HN ARG 8 -25.226 -5.236 -8.758 57 HA ARG 8 HA ARG 8 -22.925 -7.078 -9.102 58 1HB ARG 8 HB2 ARG 8 -24.975 -7.257 -10.567 59 2HB ARG 8 HB1 ARG 8 -24.559 -5.679 -11.238 60 1HG ARG 8 HG2 ARG 8 -23.003 -6.591 -12.587 61 2HG ARG 8 HG1 ARG 8 -22.245 -7.423 -11.229 62 1HD ARG 8 HD2 ARG 8 -23.313 -9.382 -11.672 63 2HD ARG 8 HD1 ARG 8 -24.826 -8.573 -12.079 64 HE ARG 8 HE ARG 8 -22.527 -8.764 -13.987 65 1HH1 ARG 8 HH2 ARG 8 -25.297 -10.389 -13.579 66 2HH1 ARG 8 HH2 ARG 8 -26.092 -9.868 -15.025 67 1HH2 ARG 8 HH1 ARG 8 -23.796 -7.357 -15.698 68 2HH2 ARG 8 HH1 ARG 8 -25.243 -8.151 -16.225 69 H LYS 9 HN LYS 9 -20.919 -6.186 -9.103 70 HA LYS 9 HA LYS 9 -20.475 -3.643 -10.537 71 1HB LYS 9 HB2 LYS 9 -20.961 -2.831 -8.306 72 2HB LYS 9 HB1 LYS 9 -19.869 -4.017 -7.591 73 1HG LYS 9 HG2 LYS 9 -17.969 -2.880 -8.259 74 2HG LYS 9 HG1 LYS 9 -18.765 -2.160 -9.658 75 1HD LYS 9 HD2 LYS 9 -19.893 -1.353 -7.052 76 2HD LYS 9 HD1 LYS 9 -18.237 -0.813 -7.336 77 1HE LYS 9 HE2 LYS 9 -19.228 0.899 -8.461 78 2HE LYS 9 HE1 LYS 9 -19.393 -0.283 -9.759 79 1HZ LYS 9 HZ1 LYS 9 -21.506 -0.762 -8.079 80 2HZ LYS 9 HZ2 LYS 9 -21.569 0.021 -9.584 81 3HZ LYS 9 HZ3 LYS 9 -21.411 0.929 -8.157 82 H THR 10 HN THR 10 -18.310 -4.931 -8.093 83 HA THR 10 HA THR 10 -16.339 -6.216 -8.304 84 HB THR 10 HB THR 10 -16.810 -6.418 -11.275 85 HG1 THR 10 HG1 THR 10 -18.605 -7.377 -10.801 86 1HG2 THR 10 HG2 THR 10 -15.290 -7.892 -9.159 87 2HG2 THR 10 HG2 THR 10 -14.777 -7.416 -10.777 88 3HG2 THR 10 HG2 THR 10 -15.868 -8.786 -10.565 89 H LYS 11 HN LYS 11 -16.508 -4.595 -11.492 90 HA LYS 11 HA LYS 11 -15.138 -2.924 -12.403 91 1HB LYS 11 HB2 LYS 11 -15.698 -2.137 -9.737 92 2HB LYS 11 HB1 LYS 11 -13.978 -1.843 -9.998 93 1HG LYS 11 HG2 LYS 11 -14.455 -0.035 -11.244 94 2HG LYS 11 HG1 LYS 11 -15.408 -1.030 -12.346 95 1HD LYS 11 HD2 LYS 11 -16.909 0.627 -11.495 96 2HD LYS 11 HD1 LYS 11 -17.304 -0.869 -10.648 97 1HE LYS 11 HE2 LYS 11 -17.012 0.269 -8.722 98 2HE LYS 11 HE1 LYS 11 -15.289 0.291 -9.096 99 1HZ LYS 11 HZ1 LYS 11 -15.454 2.384 -10.076 100 2HZ LYS 11 HZ2 LYS 11 -16.425 2.509 -8.687 101 3HZ LYS 11 HZ3 LYS 11 -17.143 2.304 -10.212 102 H ARG 12 HN ARG 12 -13.152 -3.243 -13.292 103 HA ARG 12 HA ARG 12 -11.012 -4.168 -13.590 104 1HB ARG 12 HB2 ARG 12 -11.023 -2.861 -10.911 105 2HB ARG 12 HB1 ARG 12 -9.655 -3.909 -11.286 106 1HG ARG 12 HG2 ARG 12 -10.623 -1.611 -13.014 107 2HG ARG 12 HG1 ARG 12 -9.206 -1.572 -11.964 108 1HD ARG 12 HD2 ARG 12 -8.069 -2.285 -13.795 109 2HD ARG 12 HD1 ARG 12 -8.767 -3.861 -13.428 110 HE ARG 12 HE ARG 12 -10.665 -2.451 -14.985 111 1HH1 ARG 12 HH2 ARG 12 -8.522 -4.927 -15.247 112 2HH1 ARG 12 HH2 ARG 12 -8.146 -4.705 -16.922 113 1HH2 ARG 12 HH1 ARG 12 -9.734 -1.630 -17.145 114 2HH2 ARG 12 HH1 ARG 12 -8.832 -2.837 -17.998 115 H ASN 13 HN ASN 13 -9.364 -5.763 -12.337 116 HA ASN 13 HA ASN 13 -10.827 -7.797 -10.773 117 1HB ASN 13 HB2 ASN 13 -11.297 -8.554 -13.018 118 2HB ASN 13 HB1 ASN 13 -9.615 -8.333 -13.499 119 1HD2 ASN 13 HD2 ASN 13 -9.084 -10.536 -13.935 120 2HD2 ASN 13 HD2 ASN 13 -9.123 -11.750 -12.750 121 H THR 14 HN THR 14 -7.782 -7.645 -12.663 122 HA THR 14 HA THR 14 -6.330 -8.122 -10.089 123 HB THR 14 HB THR 14 -5.730 -9.248 -12.841 124 HG1 THR 14 HG1 THR 14 -7.282 -10.412 -11.750 125 1HG2 THR 14 HG2 THR 14 -4.175 -9.474 -10.249 126 2HG2 THR 14 HG2 THR 14 -3.658 -8.600 -11.691 127 3HG2 THR 14 HG2 THR 14 -3.816 -10.356 -11.732 128 H ASN 15 HN ASN 15 -6.166 -5.723 -10.067 129 HA ASN 15 HA ASN 15 -4.106 -4.728 -11.998 130 1HB ASN 15 HB2 ASN 15 -6.487 -3.648 -11.861 131 2HB ASN 15 HB1 ASN 15 -5.880 -2.921 -10.371 132 1HD2 ASN 15 HD2 ASN 15 -5.061 -0.868 -10.761 133 2HD2 ASN 15 HD2 ASN 15 -4.228 -0.395 -12.162 134 H ARG 16 HN ARG 16 -2.192 -5.078 -10.857 135 HA ARG 16 HA ARG 16 -2.015 -4.669 -8.002 136 1HB ARG 16 HB2 ARG 16 -0.379 -5.706 -10.183 137 2HB ARG 16 HB1 ARG 16 0.549 -4.744 -9.050 138 1HG ARG 16 HG2 ARG 16 -1.015 -6.219 -7.355 139 2HG ARG 16 HG1 ARG 16 -0.741 -7.360 -8.672 140 1HD ARG 16 HD2 ARG 16 1.684 -7.016 -8.491 141 2HD ARG 16 HD1 ARG 16 1.434 -5.835 -7.205 142 HE ARG 16 HE ARG 16 0.855 -7.629 -5.717 143 1HH1 ARG 16 HH2 ARG 16 -0.649 -9.284 -7.772 144 2HH1 ARG 16 HH2 ARG 16 0.378 -10.671 -7.909 145 1HH2 ARG 16 HH1 ARG 16 3.099 -9.138 -6.402 146 2HH2 ARG 16 HH1 ARG 16 2.501 -10.588 -7.135 147 H ARG 17 HN ARG 17 -0.125 -3.293 -7.291 148 HA ARG 17 HA ARG 17 1.156 -1.163 -8.240 149 1HB ARG 17 HB2 ARG 17 -1.745 -0.611 -8.552 150 2HB ARG 17 HB1 ARG 17 -0.789 0.699 -7.858 151 1HG ARG 17 HG2 ARG 17 0.017 -0.778 -10.370 152 2HG ARG 17 HG1 ARG 17 -0.951 0.698 -10.392 153 1HD ARG 17 HD2 ARG 17 0.985 1.607 -8.830 154 2HD ARG 17 HD1 ARG 17 1.915 0.321 -9.600 155 HE ARG 17 HE ARG 17 0.703 2.642 -11.021 156 1HH1 ARG 17 HH1 ARG 17 3.460 0.816 -10.533 157 2HH1 ARG 17 HH1 ARG 17 3.898 0.697 -12.205 158 1HH2 ARG 17 HH2 ARG 17 0.934 2.077 -13.357 159 2HH2 ARG 17 HH2 ARG 17 2.468 1.410 -13.803 160 HA PRO 18 HA PRO 18 -0.339 0.012 -3.851 161 1HB PRO 18 HB2 PRO 18 -2.605 -1.203 -2.922 162 2HB PRO 18 HB1 PRO 18 -2.621 0.312 -3.814 163 1HG PRO 18 HG2 PRO 18 -3.363 -2.407 -4.766 164 2HG PRO 18 HG1 PRO 18 -4.000 -0.833 -5.272 165 1HD PRO 18 HD2 PRO 18 -2.113 -2.337 -6.700 166 2HD PRO 18 HD1 PRO 18 -2.430 -0.602 -6.915 167 H GLN 19 HN GLN 19 -0.845 -3.070 -5.112 168 HA GLN 19 HA GLN 19 -0.105 -4.561 -2.708 169 1HB GLN 19 HB2 GLN 19 -1.299 -5.044 -5.271 170 2HB GLN 19 HB1 GLN 19 -0.129 -6.256 -4.807 171 1HG GLN 19 HG2 GLN 19 -1.509 -7.133 -3.264 172 2HG GLN 19 HG1 GLN 19 -1.778 -5.539 -2.561 173 1HE2 GLN 19 HE2 GLN 19 -3.433 -4.135 -3.740 174 2HE2 GLN 19 HE2 GLN 19 -4.742 -4.907 -4.496 175 H ASP 20 HN ASP 20 1.738 -2.893 -3.636 176 HA ASP 20 HA ASP 20 4.042 -4.664 -4.058 177 1HB ASP 20 HB2 ASP 20 3.575 -4.167 -6.301 178 2HB ASP 20 HB1 ASP 20 3.181 -2.502 -5.972 179 H VAL 21 HN VAL 21 2.858 -1.329 -3.773 180 HA VAL 21 HA VAL 21 5.409 -0.527 -2.773 181 HB VAL 21 HB VAL 21 3.004 1.177 -2.276 182 1HG1 VAL 21 HG1 VAL 21 4.644 2.691 -1.992 183 2HG1 VAL 21 HG1 VAL 21 5.125 2.470 -3.674 184 3HG1 VAL 21 HG1 VAL 21 5.852 1.477 -2.412 185 1HG2 VAL 21 HG2 VAL 21 2.307 0.838 -4.417 186 2HG2 VAL 21 HG2 VAL 21 3.830 0.083 -4.889 187 3HG2 VAL 21 HG2 VAL 21 3.690 1.841 -4.854 188 H LYS 22 HN LYS 22 3.207 -2.385 -1.412 189 HA LYS 22 HA LYS 22 3.515 -1.310 1.284 190 1HB LYS 22 HB2 LYS 22 1.860 -3.162 1.793 191 2HB LYS 22 HB1 LYS 22 1.249 -1.912 0.699 192 1HG LYS 22 HG2 LYS 22 1.354 -3.269 -1.144 193 2HG LYS 22 HG1 LYS 22 2.742 -4.153 -0.517 194 1HD LYS 22 HD2 LYS 22 0.583 -5.471 -0.612 195 2HD LYS 22 HD1 LYS 22 1.402 -5.448 0.950 196 1HE LYS 22 HE2 LYS 22 -0.131 -3.880 1.856 197 2HE LYS 22 HE1 LYS 22 -0.748 -3.440 0.263 198 1HZ LYS 22 HZ1 LYS 22 -2.368 -4.869 0.870 199 2HZ LYS 22 HZ2 LYS 22 -1.371 -5.747 1.929 200 3HZ LYS 22 HZ3 LYS 22 -1.286 -6.022 0.254 201 H PHE 23 HN PHE 23 5.158 -3.042 -0.808 202 HA PHE 23 HA PHE 23 6.582 -4.842 -0.811 203 1HB PHE 23 HB2 PHE 23 6.948 -3.720 1.910 204 2HB PHE 23 HB1 PHE 23 8.128 -4.681 1.019 205 HD1 PHE 23 HD1 PHE 23 6.182 -1.543 0.996 206 HD2 PHE 23 HD2 PHE 23 9.349 -3.778 -0.841 207 HE1 PHE 23 HE1 PHE 23 6.710 0.399 -0.429 208 HE2 PHE 23 HE2 PHE 23 9.899 -1.831 -2.259 209 HZ PHE 23 HZ PHE 23 8.587 0.271 -2.059 210 HA PRO 24 HA PRO 24 3.304 -7.276 1.136 211 1HB PRO 24 HB2 PRO 24 2.521 -8.285 -1.279 212 2HB PRO 24 HB1 PRO 24 1.929 -6.743 -0.638 213 1HG PRO 24 HG2 PRO 24 3.901 -7.247 -2.816 214 2HG PRO 24 HG1 PRO 24 2.777 -5.893 -2.596 215 1HD PRO 24 HD2 PRO 24 5.526 -5.851 -1.969 216 2HD PRO 24 HD1 PRO 24 4.320 -4.678 -1.418 217 H GLY 25 HN GLY 25 2.903 -9.774 0.342 218 1HA GLY 25 HA2 GLY 25 3.815 -11.930 0.181 219 2HA GLY 25 HA1 GLY 25 5.166 -11.206 -0.693 220 H GLY 26 HN GLY 26 4.257 -10.160 2.537 221 1HA GLY 26 HA2 GLY 26 5.842 -11.831 4.129 222 2HA GLY 26 HA1 GLY 26 6.937 -10.592 3.516 223 H GLY 27 HN GLY 27 5.714 -8.263 3.650 224 1HA GLY 27 HA2 GLY 27 4.060 -7.073 5.181 225 2HA GLY 27 HA1 GLY 27 4.722 -8.080 6.472 226 H GLN 28 HN GLN 28 5.867 -5.846 3.939 227 HA GLN 28 HA GLN 28 7.737 -4.668 5.911 228 1HB GLN 28 HB2 GLN 28 8.261 -6.165 3.522 229 2HB GLN 28 HB1 GLN 28 8.877 -4.527 3.360 230 1HG GLN 28 HG2 GLN 28 9.857 -4.809 5.686 231 2HG GLN 28 HG1 GLN 28 9.480 -6.524 5.529 232 1HE2 GLN 28 HE2 GLN 28 11.955 -6.752 5.671 233 2HE2 GLN 28 HE2 GLN 28 12.850 -6.580 4.239 234 H ILE 29 HN ILE 29 5.105 -4.055 4.491 235 HA ILE 29 HA ILE 29 5.357 -1.944 2.637 236 HB ILE 29 HB ILE 29 3.163 -2.550 2.935 237 1HG1 ILE 29 HG1 ILE 29 3.563 0.006 3.270 238 2HG1 ILE 29 HG1 ILE 29 1.963 -0.662 3.576 239 1HG2 ILE 29 HG2 ILE 29 2.331 -2.432 5.510 240 2HG2 ILE 29 HG2 ILE 29 4.013 -2.926 5.711 241 3HG2 ILE 29 HG2 ILE 29 2.920 -3.898 4.726 242 1HD1 ILE 29 HD1 ILE 29 3.400 0.870 5.362 243 2HD1 ILE 29 HD1 ILE 29 3.749 -0.770 5.912 244 3HD1 ILE 29 HD1 ILE 29 2.079 -0.215 5.800 245 H VAL 30 HN VAL 30 5.834 -1.988 6.079 246 HA VAL 30 HA VAL 30 5.820 0.913 6.189 247 HB VAL 30 HB VAL 30 6.687 -1.108 8.268 248 1HG1 VAL 30 HG1 VAL 30 7.515 0.810 9.203 249 2HG1 VAL 30 HG1 VAL 30 5.828 1.068 9.646 250 3HG1 VAL 30 HG1 VAL 30 6.493 1.853 8.214 251 1HG2 VAL 30 HG2 VAL 30 4.039 0.282 7.762 252 2HG2 VAL 30 HG2 VAL 30 4.408 -0.635 9.222 253 3HG2 VAL 30 HG2 VAL 30 4.359 -1.448 7.658 254 H GLY 31 HN GLY 31 7.916 -0.802 4.669 255 1HA GLY 31 HA2 GLY 31 10.195 0.840 5.520 256 2HA GLY 31 HA1 GLY 31 10.464 -0.879 5.414 257 H GLY 32 HN GLY 32 8.614 -0.983 2.991 258 1HA GLY 32 HA2 GLY 32 10.718 -0.261 1.136 259 2HA GLY 32 HA1 GLY 32 9.237 -1.046 0.654 260 H VAL 33 HN VAL 33 7.944 1.151 2.386 261 HA VAL 33 HA VAL 33 7.552 3.116 0.253 262 HB VAL 33 HB VAL 33 6.670 2.975 3.156 263 1HG1 VAL 33 HG1 VAL 33 6.082 5.111 1.078 264 2HG1 VAL 33 HG1 VAL 33 7.013 5.329 2.559 265 3HG1 VAL 33 HG1 VAL 33 5.285 4.984 2.646 266 1HG2 VAL 33 HG2 VAL 33 5.666 1.795 0.835 267 2HG2 VAL 33 HG2 VAL 33 4.638 3.209 1.065 268 3HG2 VAL 33 HG2 VAL 33 4.788 2.009 2.348 269 H TYR 34 HN TYR 34 9.732 2.393 2.593 270 HA TYR 34 HA TYR 34 10.883 5.092 2.920 271 1HB TYR 34 HB2 TYR 34 11.491 2.467 4.330 272 2HB TYR 34 HB1 TYR 34 11.961 4.077 4.862 273 HD1 TYR 34 HD1 TYR 34 10.444 5.481 6.050 274 HD2 TYR 34 HD2 TYR 34 9.025 1.916 4.153 275 HE1 TYR 34 HE1 TYR 34 8.226 5.794 7.080 276 HE2 TYR 34 HE2 TYR 34 6.824 2.206 5.177 277 HH TYR 34 HH TYR 34 6.201 3.941 7.717 278 H LEU 35 HN LEU 35 11.123 2.122 1.292 279 HA LEU 35 HA LEU 35 13.978 2.368 0.605 280 1HB LEU 35 HB2 LEU 35 11.789 0.382 -0.109 281 2HB LEU 35 HB1 LEU 35 13.429 0.278 -0.747 282 HG LEU 35 HG LEU 35 12.955 0.511 2.205 283 1HD1 LEU 35 HD1 LEU 35 12.202 -1.714 0.493 284 2HD1 LEU 35 HD1 LEU 35 11.949 -1.515 2.227 285 3HD1 LEU 35 HD1 LEU 35 13.462 -2.197 1.629 286 1HD2 LEU 35 HD2 LEU 35 15.115 -0.955 2.057 287 2HD2 LEU 35 HD2 LEU 35 15.234 0.766 1.686 288 3HD2 LEU 35 HD2 LEU 35 15.165 -0.415 0.378 289 H LEU 36 HN LEU 36 11.261 3.878 -0.179 290 HA LEU 36 HA LEU 36 11.310 3.814 -3.067 291 1HB LEU 36 HB2 LEU 36 9.960 5.832 -1.258 292 2HB LEU 36 HB1 LEU 36 9.571 5.497 -2.940 293 HG LEU 36 HG LEU 36 9.213 3.681 -0.561 294 1HD1 LEU 36 HD1 LEU 36 7.466 5.224 -2.417 295 2HD1 LEU 36 HD1 LEU 36 7.242 4.859 -0.706 296 3HD1 LEU 36 HD1 LEU 36 6.890 3.632 -1.923 297 1HD2 LEU 36 HD2 LEU 36 8.255 2.147 -2.475 298 2HD2 LEU 36 HD2 LEU 36 9.988 2.146 -2.149 299 3HD2 LEU 36 HD2 LEU 36 9.347 3.074 -3.503 300 HA PRO 37 HA PRO 37 13.455 8.053 -2.518 301 1HB PRO 37 HB2 PRO 37 14.461 8.621 -0.023 302 2HB PRO 37 HB1 PRO 37 12.832 9.082 -0.549 303 1HG PRO 37 HG2 PRO 37 13.657 6.902 1.313 304 2HG PRO 37 HG1 PRO 37 12.131 7.798 1.241 305 1HD PRO 37 HD2 PRO 37 12.562 5.189 0.242 306 2HD PRO 37 HD1 PRO 37 11.170 6.217 -0.109 307 H ARG 38 HN ARG 38 14.919 5.884 -0.058 308 HA ARG 38 HA ARG 38 17.572 6.257 -1.280 309 1HB ARG 38 HB2 ARG 38 18.425 5.122 0.632 310 2HB ARG 38 HB1 ARG 38 17.093 6.108 1.237 311 1HG ARG 38 HG2 ARG 38 15.827 3.762 0.497 312 2HG ARG 38 HG1 ARG 38 17.359 3.189 1.157 313 1HD ARG 38 HD2 ARG 38 16.124 5.331 2.747 314 2HD ARG 38 HD1 ARG 38 15.148 3.864 2.660 315 HE ARG 38 HE ARG 38 18.021 3.700 3.454 316 1HH1 ARG 38 HH1 ARG 38 15.529 4.435 5.307 317 2HH1 ARG 38 HH1 ARG 38 15.369 2.923 6.138 318 1HH2 ARG 38 HH2 ARG 38 17.448 1.204 3.960 319 2HH2 ARG 38 HH2 ARG 38 16.456 1.094 5.377 320 H ARG 39 HN ARG 39 15.290 4.745 -2.647 321 HA ARG 39 HA ARG 39 15.681 1.976 -2.687 322 1HB ARG 39 HB2 ARG 39 14.183 3.696 -4.165 323 2HB ARG 39 HB1 ARG 39 15.404 3.239 -5.354 324 1HG ARG 39 HG2 ARG 39 14.342 0.986 -3.774 325 2HG ARG 39 HG1 ARG 39 13.154 1.772 -4.816 326 1HD ARG 39 HD2 ARG 39 14.603 1.480 -6.757 327 2HD ARG 39 HD1 ARG 39 15.874 0.802 -5.740 328 HE ARG 39 HE ARG 39 14.442 -1.168 -5.384 329 1HH1 ARG 39 HH1 ARG 39 12.417 1.079 -6.775 330 2HH1 ARG 39 HH1 ARG 39 11.786 0.032 -8.002 331 1HH2 ARG 39 HH2 ARG 39 14.061 -2.509 -7.376 332 2HH2 ARG 39 HH2 ARG 39 12.719 -1.998 -8.344 333 H GLY 40 HN GLY 40 17.840 1.329 -2.464 334 1HA GLY 40 HA2 GLY 40 20.095 1.011 -3.074 335 2HA GLY 40 HA1 GLY 40 19.406 0.796 -4.684 336 HA PRO 41 HA PRO 41 20.903 5.351 -4.217 337 1HB PRO 41 HB2 PRO 41 22.804 5.708 -2.263 338 2HB PRO 41 HB1 PRO 41 21.068 5.943 -1.994 339 1HG PRO 41 HG2 PRO 41 22.816 3.696 -1.107 340 2HG PRO 41 HG1 PRO 41 21.315 4.302 -0.387 341 1HD PRO 41 HD2 PRO 41 21.564 1.987 -2.000 342 2HD PRO 41 HD1 PRO 41 20.044 2.786 -1.546 343 H ARG 42 HN ARG 42 23.268 6.350 -4.527 344 HA ARG 42 HA ARG 42 24.861 4.266 -5.942 345 1HB ARG 42 HB2 ARG 42 24.009 6.844 -6.697 346 2HB ARG 42 HB1 ARG 42 25.746 6.980 -6.418 347 1HG ARG 42 HG2 ARG 42 25.969 4.836 -7.821 348 2HG ARG 42 HG1 ARG 42 24.300 5.127 -8.316 349 1HD ARG 42 HD2 ARG 42 25.017 6.617 -9.839 350 2HD ARG 42 HD1 ARG 42 25.708 7.596 -8.546 351 HE ARG 42 HE ARG 42 27.555 5.536 -8.997 352 1HH1 ARG 42 HH2 ARG 42 28.227 8.426 -9.345 353 2HH1 ARG 42 HH2 ARG 42 28.606 8.516 -11.034 354 1HH2 ARG 42 HH1 ARG 42 27.104 5.487 -11.801 355 2HH2 ARG 42 HH1 ARG 42 27.969 6.851 -12.424 356 H LEU 43 HN LEU 43 24.828 5.649 -2.987 357 HA LEU 43 HA LEU 43 27.817 5.678 -2.828 358 1HB LEU 43 HB2 LEU 43 25.775 7.361 -1.355 359 2HB LEU 43 HB1 LEU 43 27.457 7.229 -0.840 360 HG LEU 43 HG LEU 43 27.272 7.767 -3.691 361 1HD1 LEU 43 HD1 LEU 43 25.284 8.990 -3.352 362 2HD1 LEU 43 HD1 LEU 43 26.545 10.216 -3.220 363 3HD1 LEU 43 HD1 LEU 43 25.800 9.559 -1.764 364 1HD2 LEU 43 HD2 LEU 43 29.079 8.142 -1.706 365 2HD2 LEU 43 HD2 LEU 43 28.369 9.754 -1.775 366 3HD2 LEU 43 HD2 LEU 43 29.108 9.054 -3.215 367 H GLY 44 HN GLY 44 26.851 3.243 -2.550 368 1HA GLY 44 HA2 GLY 44 27.584 2.329 -0.019 369 2HA GLY 44 HA1 GLY 44 25.843 2.598 0.085 Start of MODEL 4 1 1H SER 1 HT1 SER 1 -27.125 -14.349 -29.710 2 2H SER 1 HT2 SER 1 -27.881 -13.191 -28.724 3 3H SER 1 HT3 SER 1 -27.170 -14.568 -28.028 4 HA SER 1 HA SER 1 -25.526 -12.715 -29.618 5 1HB SER 1 HB2 SER 1 -26.150 -12.424 -26.665 6 2HB SER 1 HB1 SER 1 -25.041 -11.427 -27.602 7 HG SER 1 HG SER 1 -27.788 -11.384 -27.450 8 H THR 2 HN THR 2 -23.343 -12.658 -28.163 9 HA THR 2 HA THR 2 -22.795 -15.215 -26.837 10 HB THR 2 HB THR 2 -21.405 -14.536 -29.448 11 HG1 THR 2 HG1 THR 2 -22.891 -16.856 -29.000 12 1HG2 THR 2 HG2 THR 2 -20.900 -16.460 -27.247 13 2HG2 THR 2 HG2 THR 2 -19.768 -15.723 -28.381 14 3HG2 THR 2 HG2 THR 2 -20.753 -17.098 -28.884 15 H ASN 3 HN ASN 3 -20.679 -12.979 -28.644 16 HA ASN 3 HA ASN 3 -18.705 -12.756 -26.657 17 1HB ASN 3 HB2 ASN 3 -19.596 -10.961 -28.896 18 2HB ASN 3 HB1 ASN 3 -18.381 -10.382 -27.751 19 1HD2 ASN 3 HD2 ASN 3 -17.408 -10.660 -30.272 20 2HD2 ASN 3 HD2 ASN 3 -16.475 -12.069 -30.435 21 HA PRO 4 HA PRO 4 -20.556 -10.289 -23.531 22 1HB PRO 4 HB2 PRO 4 -18.266 -9.243 -22.427 23 2HB PRO 4 HB1 PRO 4 -18.792 -10.918 -22.186 24 1HG PRO 4 HG2 PRO 4 -16.588 -9.872 -23.904 25 2HG PRO 4 HG1 PRO 4 -16.758 -11.462 -23.141 26 1HD PRO 4 HD2 PRO 4 -17.254 -10.870 -25.864 27 2HD PRO 4 HD1 PRO 4 -17.737 -12.354 -25.014 28 H LYS 5 HN LYS 5 -19.030 -8.978 -26.221 29 HA LYS 5 HA LYS 5 -19.059 -6.832 -27.171 30 1HB LYS 5 HB2 LYS 5 -21.117 -6.422 -24.980 31 2HB LYS 5 HB1 LYS 5 -20.782 -5.251 -26.256 32 1HG LYS 5 HG2 LYS 5 -21.122 -7.642 -27.637 33 2HG LYS 5 HG1 LYS 5 -22.348 -7.714 -26.371 34 1HD LYS 5 HD2 LYS 5 -23.258 -5.574 -27.040 35 2HD LYS 5 HD1 LYS 5 -21.940 -5.321 -28.185 36 1HE LYS 5 HE2 LYS 5 -23.871 -7.648 -28.359 37 2HE LYS 5 HE1 LYS 5 -24.094 -6.133 -29.234 38 1HZ LYS 5 HZ1 LYS 5 -21.930 -8.123 -29.527 39 2HZ LYS 5 HZ2 LYS 5 -21.746 -6.527 -30.079 40 3HZ LYS 5 HZ3 LYS 5 -22.974 -7.513 -30.717 41 HA PRO 6 HA PRO 6 -16.208 -5.366 -23.878 42 1HB PRO 6 HB2 PRO 6 -13.993 -5.339 -25.508 43 2HB PRO 6 HB1 PRO 6 -14.507 -6.757 -24.578 44 1HG PRO 6 HG2 PRO 6 -14.748 -6.246 -27.506 45 2HG PRO 6 HG1 PRO 6 -14.648 -7.789 -26.640 46 1HD PRO 6 HD2 PRO 6 -17.009 -6.620 -27.680 47 2HD PRO 6 HD1 PRO 6 -16.931 -7.978 -26.538 48 H GLN 7 HN GLN 7 -15.926 -3.170 -23.582 49 HA GLN 7 HA GLN 7 -16.692 -1.333 -25.706 50 1HB GLN 7 HB2 GLN 7 -16.011 -1.156 -22.828 51 2HB GLN 7 HB1 GLN 7 -15.635 0.278 -23.785 52 1HG GLN 7 HG2 GLN 7 -18.220 -0.710 -24.561 53 2HG GLN 7 HG1 GLN 7 -18.175 -0.532 -22.807 54 1HE2 GLN 7 HE2 GLN 7 -19.729 1.216 -24.514 55 2HE2 GLN 7 HE2 GLN 7 -19.065 2.775 -24.399 56 H ARG 8 HN ARG 8 -13.889 -0.627 -23.712 57 HA ARG 8 HA ARG 8 -11.881 -1.212 -25.679 58 1HB ARG 8 HB2 ARG 8 -13.143 0.664 -26.824 59 2HB ARG 8 HB1 ARG 8 -12.638 1.717 -25.503 60 1HG ARG 8 HG2 ARG 8 -10.537 1.906 -26.320 61 2HG ARG 8 HG1 ARG 8 -10.418 0.173 -26.627 62 1HD ARG 8 HD2 ARG 8 -11.321 0.352 -28.768 63 2HD ARG 8 HD1 ARG 8 -12.158 1.860 -28.397 64 HE ARG 8 HE ARG 8 -9.931 2.987 -28.491 65 1HH1 ARG 8 HH2 ARG 8 -8.120 0.665 -28.324 66 2HH1 ARG 8 HH2 ARG 8 -7.689 0.388 -29.979 67 1HH2 ARG 8 HH1 ARG 8 -10.310 2.266 -31.253 68 2HH2 ARG 8 HH1 ARG 8 -8.929 1.294 -31.637 69 H LYS 9 HN LYS 9 -10.575 -1.837 -23.959 70 HA LYS 9 HA LYS 9 -9.271 0.293 -22.458 71 1HB LYS 9 HB2 LYS 9 -11.207 0.071 -21.026 72 2HB LYS 9 HB1 LYS 9 -11.065 -1.687 -21.028 73 1HG LYS 9 HG2 LYS 9 -9.511 -1.656 -19.389 74 2HG LYS 9 HG1 LYS 9 -8.587 -0.387 -20.193 75 1HD LYS 9 HD2 LYS 9 -10.608 1.131 -19.381 76 2HD LYS 9 HD1 LYS 9 -10.784 -0.143 -18.175 77 1HE LYS 9 HE2 LYS 9 -8.688 0.269 -17.236 78 2HE LYS 9 HE1 LYS 9 -8.066 1.017 -18.706 79 1HZ LYS 9 HZ1 LYS 9 -8.638 2.979 -17.898 80 2HZ LYS 9 HZ2 LYS 9 -9.268 2.255 -16.497 81 3HZ LYS 9 HZ3 LYS 9 -10.265 2.505 -17.850 82 H THR 10 HN THR 10 -9.685 -2.981 -21.225 83 HA THR 10 HA THR 10 -7.591 -4.295 -22.573 84 HB THR 10 HB THR 10 -5.990 -2.723 -21.799 85 HG1 THR 10 HG1 THR 10 -5.348 -4.838 -21.363 86 1HG2 THR 10 HG2 THR 10 -6.047 -2.472 -19.095 87 2HG2 THR 10 HG2 THR 10 -7.768 -2.656 -19.434 88 3HG2 THR 10 HG2 THR 10 -6.855 -1.353 -20.193 89 H LYS 11 HN LYS 11 -6.696 -6.152 -21.122 90 HA LYS 11 HA LYS 11 -8.880 -7.610 -20.046 91 1HB LYS 11 HB2 LYS 11 -5.916 -7.934 -19.477 92 2HB LYS 11 HB1 LYS 11 -7.157 -9.139 -19.131 93 1HG LYS 11 HG2 LYS 11 -7.725 -8.729 -21.716 94 2HG LYS 11 HG1 LYS 11 -6.018 -8.289 -21.755 95 1HD LYS 11 HD2 LYS 11 -5.387 -10.436 -20.808 96 2HD LYS 11 HD1 LYS 11 -7.081 -10.873 -20.581 97 1HE LYS 11 HE2 LYS 11 -6.045 -11.893 -22.632 98 2HE LYS 11 HE1 LYS 11 -7.459 -10.897 -22.974 99 1HZ LYS 11 HZ1 LYS 11 -6.239 -9.442 -24.113 100 2HZ LYS 11 HZ2 LYS 11 -5.026 -10.631 -24.137 101 3HZ LYS 11 HZ3 LYS 11 -5.002 -9.413 -22.953 102 H ARG 12 HN ARG 12 -8.651 -8.506 -17.630 103 HA ARG 12 HA ARG 12 -7.793 -6.469 -15.701 104 1HB ARG 12 HB2 ARG 12 -10.320 -6.145 -16.717 105 2HB ARG 12 HB1 ARG 12 -10.634 -7.156 -15.306 106 1HG ARG 12 HG2 ARG 12 -10.419 -5.347 -13.990 107 2HG ARG 12 HG1 ARG 12 -8.740 -5.195 -14.509 108 1HD ARG 12 HD2 ARG 12 -9.879 -4.114 -16.662 109 2HD ARG 12 HD1 ARG 12 -11.170 -3.772 -15.510 110 HE ARG 12 HE ARG 12 -9.774 -1.981 -14.882 111 1HH1 ARG 12 HH1 ARG 12 -7.541 -2.720 -16.777 112 2HH1 ARG 12 HH1 ARG 12 -6.226 -2.987 -15.681 113 1HH2 ARG 12 HH2 ARG 12 -8.260 -3.242 -12.884 114 2HH2 ARG 12 HH2 ARG 12 -6.633 -3.282 -13.477 115 H ASN 13 HN ASN 13 -6.595 -8.043 -14.625 116 HA ASN 13 HA ASN 13 -8.128 -10.393 -13.586 117 1HB ASN 13 HB2 ASN 13 -6.196 -10.964 -15.050 118 2HB ASN 13 HB1 ASN 13 -5.128 -10.100 -13.942 119 1HD2 ASN 13 HD2 ASN 13 -6.319 -13.172 -14.632 120 2HD2 ASN 13 HD2 ASN 13 -6.061 -13.896 -13.119 121 H THR 14 HN THR 14 -5.238 -8.491 -12.646 122 HA THR 14 HA THR 14 -6.471 -8.092 -9.969 123 HB THR 14 HB THR 14 -5.017 -10.107 -9.825 124 HG1 THR 14 HG1 THR 14 -4.016 -7.770 -8.570 125 1HG2 THR 14 HG2 THR 14 -3.348 -8.538 -11.504 126 2HG2 THR 14 HG2 THR 14 -3.060 -10.178 -10.924 127 3HG2 THR 14 HG2 THR 14 -2.471 -8.798 -9.997 128 H ASN 15 HN ASN 15 -6.686 -5.888 -10.850 129 HA ASN 15 HA ASN 15 -4.677 -4.255 -11.871 130 1HB ASN 15 HB2 ASN 15 -7.181 -3.739 -11.238 131 2HB ASN 15 HB1 ASN 15 -6.473 -3.154 -9.732 132 1HD2 ASN 15 HD2 ASN 15 -7.384 -1.003 -10.709 133 2HD2 ASN 15 HD2 ASN 15 -6.339 -0.135 -11.728 134 H ARG 16 HN ARG 16 -2.624 -4.723 -10.956 135 HA ARG 16 HA ARG 16 -2.176 -4.565 -8.092 136 1HB ARG 16 HB2 ARG 16 -0.754 -5.365 -10.504 137 2HB ARG 16 HB1 ARG 16 0.261 -4.411 -9.432 138 1HG ARG 16 HG2 ARG 16 -1.317 -6.295 -7.913 139 2HG ARG 16 HG1 ARG 16 -0.394 -7.130 -9.163 140 1HD ARG 16 HD2 ARG 16 0.786 -5.139 -7.203 141 2HD ARG 16 HD1 ARG 16 0.877 -6.891 -7.021 142 HE ARG 16 HE ARG 16 2.564 -5.314 -8.727 143 1HH1 ARG 16 HH1 ARG 16 1.068 -8.360 -8.209 144 2HH1 ARG 16 HH1 ARG 16 1.953 -9.166 -9.460 145 1HH2 ARG 16 HH2 ARG 16 3.594 -6.297 -10.512 146 2HH2 ARG 16 HH2 ARG 16 3.383 -7.998 -10.764 147 H ARG 17 HN ARG 17 -0.035 -3.213 -7.699 148 HA ARG 17 HA ARG 17 1.090 -1.040 -8.266 149 1HB ARG 17 HB2 ARG 17 -0.762 -0.258 -9.746 150 2HB ARG 17 HB1 ARG 17 -1.752 0.026 -8.320 151 1HG ARG 17 HG2 ARG 17 -0.765 2.130 -8.820 152 2HG ARG 17 HG1 ARG 17 0.162 1.491 -7.462 153 1HD ARG 17 HD2 ARG 17 1.903 0.693 -8.978 154 2HD ARG 17 HD1 ARG 17 0.962 1.217 -10.374 155 HE ARG 17 HE ARG 17 2.395 2.997 -8.489 156 1HH1 ARG 17 HH1 ARG 17 1.763 2.482 -11.682 157 2HH1 ARG 17 HH1 ARG 17 1.298 4.107 -12.064 158 1HH2 ARG 17 HH2 ARG 17 1.160 5.128 -8.753 159 2HH2 ARG 17 HH2 ARG 17 0.957 5.604 -10.406 160 HA PRO 18 HA PRO 18 -0.780 -0.002 -4.013 161 1HB PRO 18 HB2 PRO 18 -2.993 -1.390 -3.208 162 2HB PRO 18 HB1 PRO 18 -3.083 0.118 -4.110 163 1HG PRO 18 HG2 PRO 18 -3.622 -2.638 -5.054 164 2HG PRO 18 HG1 PRO 18 -4.238 -1.100 -5.681 165 1HD PRO 18 HD2 PRO 18 -2.124 -2.658 -6.774 166 2HD PRO 18 HD1 PRO 18 -2.599 -1.022 -7.266 167 H GLN 19 HN GLN 19 -1.139 -3.166 -5.185 168 HA GLN 19 HA GLN 19 -0.314 -4.536 -2.746 169 1HB GLN 19 HB2 GLN 19 -1.410 -5.162 -5.363 170 2HB GLN 19 HB1 GLN 19 -0.333 -6.351 -4.673 171 1HG GLN 19 HG2 GLN 19 -1.911 -7.040 -3.233 172 2HG GLN 19 HG1 GLN 19 -2.101 -5.389 -2.644 173 1HE2 GLN 19 HE2 GLN 19 -3.784 -4.060 -3.609 174 2HE2 GLN 19 HE2 GLN 19 -5.004 -4.735 -4.578 175 H ASP 20 HN ASP 20 1.494 -2.881 -3.658 176 HA ASP 20 HA ASP 20 3.821 -4.602 -4.101 177 1HB ASP 20 HB2 ASP 20 3.336 -4.188 -6.356 178 2HB ASP 20 HB1 ASP 20 2.901 -2.523 -6.081 179 H VAL 21 HN VAL 21 2.544 -1.303 -3.869 180 HA VAL 21 HA VAL 21 5.091 -0.401 -2.948 181 HB VAL 21 HB VAL 21 2.404 0.994 -2.893 182 1HG1 VAL 21 HG1 VAL 21 5.183 1.908 -2.156 183 2HG1 VAL 21 HG1 VAL 21 3.682 2.114 -1.255 184 3HG1 VAL 21 HG1 VAL 21 3.968 3.057 -2.717 185 1HG2 VAL 21 HG2 VAL 21 4.112 2.270 -4.685 186 2HG2 VAL 21 HG2 VAL 21 2.810 1.160 -5.114 187 3HG2 VAL 21 HG2 VAL 21 4.458 0.558 -4.931 188 H LYS 22 HN LYS 22 2.999 -2.307 -1.509 189 HA LYS 22 HA LYS 22 3.372 -1.195 1.168 190 1HB LYS 22 HB2 LYS 22 1.676 -2.973 1.739 191 2HB LYS 22 HB1 LYS 22 1.075 -1.741 0.618 192 1HG LYS 22 HG2 LYS 22 1.087 -3.157 -1.171 193 2HG LYS 22 HG1 LYS 22 2.510 -4.011 -0.580 194 1HD LYS 22 HD2 LYS 22 0.377 -5.362 -0.555 195 2HD LYS 22 HD1 LYS 22 1.248 -5.280 0.977 196 1HE LYS 22 HE2 LYS 22 -0.244 -3.388 1.664 197 2HE LYS 22 HE1 LYS 22 -1.169 -3.627 0.181 198 1HZ LYS 22 HZ1 LYS 22 -2.319 -5.172 1.244 199 2HZ LYS 22 HZ2 LYS 22 -1.326 -5.047 2.618 200 3HZ LYS 22 HZ3 LYS 22 -0.914 -6.116 1.363 201 H PHE 23 HN PHE 23 4.983 -2.916 -0.918 202 HA PHE 23 HA PHE 23 6.330 -4.793 -0.956 203 1HB PHE 23 HB2 PHE 23 6.779 -3.692 1.760 204 2HB PHE 23 HB1 PHE 23 7.915 -4.676 0.837 205 HD1 PHE 23 HD1 PHE 23 9.034 -3.818 -1.129 206 HD2 PHE 23 HD2 PHE 23 6.125 -1.471 0.974 207 HE1 PHE 23 HE1 PHE 23 9.588 -1.868 -2.540 208 HE2 PHE 23 HE2 PHE 23 6.685 0.487 -0.416 209 HZ PHE 23 HZ PHE 23 8.432 0.302 -2.179 210 HA PRO 24 HA PRO 24 3.026 -7.140 1.032 211 1HB PRO 24 HB2 PRO 24 2.267 -8.218 -1.362 212 2HB PRO 24 HB1 PRO 24 1.679 -6.655 -0.773 213 1HG PRO 24 HG2 PRO 24 3.676 -7.234 -2.908 214 2HG PRO 24 HG1 PRO 24 2.565 -5.866 -2.737 215 1HD PRO 24 HD2 PRO 24 5.302 -5.832 -2.080 216 2HD PRO 24 HD1 PRO 24 4.106 -4.626 -1.571 217 H GLY 25 HN GLY 25 6.017 -7.751 -0.338 218 1HA GLY 25 HA2 GLY 25 6.068 -10.482 -0.971 219 2HA GLY 25 HA1 GLY 25 7.409 -9.644 -0.184 220 H GLY 26 HN GLY 26 5.506 -8.933 2.082 221 1HA GLY 26 HA2 GLY 26 4.276 -10.404 3.720 222 2HA GLY 26 HA1 GLY 26 5.523 -11.613 3.409 223 H GLY 27 HN GLY 27 5.891 -8.090 3.927 224 1HA GLY 27 HA2 GLY 27 7.589 -8.787 6.288 225 2HA GLY 27 HA1 GLY 27 7.969 -7.460 5.189 226 H GLN 28 HN GLN 28 6.915 -5.494 5.467 227 HA GLN 28 HA GLN 28 4.862 -5.335 7.607 228 1HB GLN 28 HB2 GLN 28 7.552 -4.491 7.744 229 2HB GLN 28 HB1 GLN 28 6.577 -3.033 7.577 230 1HG GLN 28 HG2 GLN 28 5.048 -4.151 9.347 231 2HG GLN 28 HG1 GLN 28 6.458 -5.153 9.685 232 1HE2 GLN 28 HE2 GLN 28 7.324 -4.280 11.601 233 2HE2 GLN 28 HE2 GLN 28 7.683 -2.638 11.829 234 H ILE 29 HN ILE 29 6.352 -3.893 4.777 235 HA ILE 29 HA ILE 29 5.350 -2.667 3.030 236 HB ILE 29 HB ILE 29 3.080 -2.318 2.871 237 1HG1 ILE 29 HG1 ILE 29 1.757 -2.111 5.227 238 2HG1 ILE 29 HG1 ILE 29 3.327 -1.471 5.713 239 1HG2 ILE 29 HG2 ILE 29 2.274 -4.362 3.312 240 2HG2 ILE 29 HG2 ILE 29 2.361 -4.093 5.052 241 3HG2 ILE 29 HG2 ILE 29 3.774 -4.688 4.179 242 1HD1 ILE 29 HD1 ILE 29 3.127 0.389 4.413 243 2HD1 ILE 29 HD1 ILE 29 1.402 0.039 4.534 244 3HD1 ILE 29 HD1 ILE 29 2.311 -0.484 3.115 245 H VAL 30 HN VAL 30 5.904 -1.745 6.210 246 HA VAL 30 HA VAL 30 5.697 1.134 5.538 247 HB VAL 30 HB VAL 30 6.433 -0.239 8.136 248 1HG1 VAL 30 HG1 VAL 30 6.349 2.571 7.232 249 2HG1 VAL 30 HG1 VAL 30 7.219 1.851 8.588 250 3HG1 VAL 30 HG1 VAL 30 5.514 2.269 8.756 251 1HG2 VAL 30 HG2 VAL 30 4.214 -0.666 8.271 252 2HG2 VAL 30 HG2 VAL 30 3.875 0.306 6.839 253 3HG2 VAL 30 HG2 VAL 30 3.985 1.076 8.422 254 H GLY 31 HN GLY 31 7.773 -1.005 4.632 255 1HA GLY 31 HA2 GLY 31 10.111 0.659 5.371 256 2HA GLY 31 HA1 GLY 31 10.253 -1.080 5.337 257 H GLY 32 HN GLY 32 8.461 -1.011 2.801 258 1HA GLY 32 HA2 GLY 32 10.753 -0.639 1.062 259 2HA GLY 32 HA1 GLY 32 9.239 -1.263 0.508 260 H VAL 33 HN VAL 33 7.954 1.074 1.888 261 HA VAL 33 HA VAL 33 8.098 2.983 -0.324 262 HB VAL 33 HB VAL 33 6.707 2.944 2.365 263 1HG1 VAL 33 HG1 VAL 33 7.438 5.261 1.914 264 2HG1 VAL 33 HG1 VAL 33 5.687 5.117 1.754 265 3HG1 VAL 33 HG1 VAL 33 6.702 5.187 0.314 266 1HG2 VAL 33 HG2 VAL 33 4.694 3.156 0.792 267 2HG2 VAL 33 HG2 VAL 33 5.576 1.631 0.714 268 3HG2 VAL 33 HG2 VAL 33 5.820 2.856 -0.531 269 H TYR 34 HN TYR 34 9.818 2.183 2.334 270 HA TYR 34 HA TYR 34 11.107 4.798 2.788 271 1HB TYR 34 HB2 TYR 34 11.277 2.205 4.373 272 2HB TYR 34 HB1 TYR 34 11.711 3.823 4.930 273 HD1 TYR 34 HD1 TYR 34 10.059 5.319 5.770 274 HD2 TYR 34 HD2 TYR 34 8.846 1.740 3.742 275 HE1 TYR 34 HE1 TYR 34 7.704 5.791 6.322 276 HE2 TYR 34 HE2 TYR 34 6.504 2.206 4.290 277 HH TYR 34 HH TYR 34 5.439 5.206 5.428 278 H LEU 35 HN LEU 35 11.360 1.761 1.300 279 HA LEU 35 HA LEU 35 14.304 1.750 1.100 280 1HB LEU 35 HB2 LEU 35 12.080 -0.097 0.180 281 2HB LEU 35 HB1 LEU 35 13.754 -0.341 -0.307 282 HG LEU 35 HG LEU 35 13.197 0.107 2.577 283 1HD1 LEU 35 HD1 LEU 35 11.801 -1.665 2.731 284 2HD1 LEU 35 HD1 LEU 35 13.146 -2.686 2.220 285 3HD1 LEU 35 HD1 LEU 35 12.020 -2.047 1.023 286 1HD2 LEU 35 HD2 LEU 35 15.166 -1.467 0.910 287 2HD2 LEU 35 HD2 LEU 35 15.034 -1.705 2.652 288 3HD2 LEU 35 HD2 LEU 35 15.492 -0.128 2.011 289 H LEU 36 HN LEU 36 11.944 3.476 -0.143 290 HA LEU 36 HA LEU 36 12.413 3.248 -2.990 291 1HB LEU 36 HB2 LEU 36 10.994 5.460 -1.493 292 2HB LEU 36 HB1 LEU 36 10.839 5.074 -3.202 293 HG LEU 36 HG LEU 36 9.970 3.402 -0.848 294 1HD1 LEU 36 HD1 LEU 36 8.671 5.101 -2.896 295 2HD1 LEU 36 HD1 LEU 36 8.118 4.668 -1.279 296 3HD1 LEU 36 HD1 LEU 36 7.894 3.543 -2.618 297 1HD2 LEU 36 HD2 LEU 36 10.486 2.686 -3.718 298 2HD2 LEU 36 HD2 LEU 36 9.142 1.916 -2.876 299 3HD2 LEU 36 HD2 LEU 36 10.785 1.736 -2.263 300 HA PRO 37 HA PRO 37 14.799 7.320 -2.278 301 1HB PRO 37 HB2 PRO 37 15.483 7.942 0.314 302 2HB PRO 37 HB1 PRO 37 13.986 8.480 -0.460 303 1HG PRO 37 HG2 PRO 37 14.368 6.336 1.580 304 2HG PRO 37 HG1 PRO 37 12.946 7.344 1.260 305 1HD PRO 37 HD2 PRO 37 13.293 4.663 0.422 306 2HD PRO 37 HD1 PRO 37 12.055 5.782 -0.163 307 H ARG 38 HN ARG 38 16.450 6.501 0.667 308 HA ARG 38 HA ARG 38 18.682 5.439 -0.890 309 1HB ARG 38 HB2 ARG 38 19.866 5.825 1.327 310 2HB ARG 38 HB1 ARG 38 19.194 7.252 0.539 311 1HG ARG 38 HG2 ARG 38 17.643 7.610 2.150 312 2HG ARG 38 HG1 ARG 38 17.339 5.888 2.378 313 1HD ARG 38 HD2 ARG 38 18.403 6.395 4.379 314 2HD ARG 38 HD1 ARG 38 19.785 5.921 3.393 315 HE ARG 38 HE ARG 38 19.478 8.477 4.542 316 1HH1 ARG 38 HH1 ARG 38 21.960 7.597 3.128 317 2HH1 ARG 38 HH1 ARG 38 22.016 8.680 1.777 318 1HH2 ARG 38 HH2 ARG 38 18.700 9.646 2.074 319 2HH2 ARG 38 HH2 ARG 38 20.170 9.840 1.180 320 H ARG 39 HN ARG 39 18.621 4.513 2.344 321 HA ARG 39 HA ARG 39 18.048 1.711 1.567 322 1HB ARG 39 HB2 ARG 39 20.148 2.915 3.037 323 2HB ARG 39 HB1 ARG 39 19.191 1.993 4.194 324 1HG ARG 39 HG2 ARG 39 19.278 0.063 2.538 325 2HG ARG 39 HG1 ARG 39 20.488 0.996 1.655 326 1HD ARG 39 HD2 ARG 39 21.746 -0.414 3.097 327 2HD ARG 39 HD1 ARG 39 21.752 1.162 3.886 328 HE ARG 39 HE ARG 39 19.639 0.071 5.117 329 1HH1 ARG 39 HH2 ARG 39 20.804 -2.571 3.936 330 2HH1 ARG 39 HH2 ARG 39 21.629 -3.182 5.332 331 1HH2 ARG 39 HH1 ARG 39 21.500 -0.175 7.053 332 2HH2 ARG 39 HH1 ARG 39 22.021 -1.826 7.096 333 H GLY 40 HN GLY 40 16.898 4.367 3.423 334 1HA GLY 40 HA2 GLY 40 14.607 4.308 4.290 335 2HA GLY 40 HA1 GLY 40 14.827 2.590 4.629 336 HA PRO 41 HA PRO 41 17.273 5.014 7.975 337 1HB PRO 41 HB2 PRO 41 16.830 7.727 8.052 338 2HB PRO 41 HB1 PRO 41 18.136 6.973 7.121 339 1HG PRO 41 HG2 PRO 41 15.577 8.154 6.147 340 2HG PRO 41 HG1 PRO 41 17.122 7.971 5.301 341 1HD PRO 41 HD2 PRO 41 14.841 6.323 4.972 342 2HD PRO 41 HD1 PRO 41 16.479 5.973 4.381 343 H ARG 42 HN ARG 42 16.537 5.663 10.131 344 HA ARG 42 HA ARG 42 13.567 5.610 10.368 345 1HB ARG 42 HB2 ARG 42 14.106 5.069 12.801 346 2HB ARG 42 HB1 ARG 42 14.589 3.846 11.627 347 1HG ARG 42 HG2 ARG 42 16.794 4.142 12.060 348 2HG ARG 42 HG1 ARG 42 16.640 5.899 12.074 349 1HD ARG 42 HD2 ARG 42 15.305 5.251 14.363 350 2HD ARG 42 HD1 ARG 42 16.526 3.979 14.319 351 HE ARG 42 HE ARG 42 18.188 5.625 14.702 352 1HH1 ARG 42 HH1 ARG 42 15.357 6.946 15.591 353 2HH1 ARG 42 HH1 ARG 42 15.735 8.589 15.191 354 1HH2 ARG 42 HH2 ARG 42 18.603 7.778 13.420 355 2HH2 ARG 42 HH2 ARG 42 17.573 9.059 13.963 356 H LEU 43 HN LEU 43 12.860 7.719 10.328 357 HA LEU 43 HA LEU 43 14.227 9.630 12.182 358 1HB LEU 43 HB2 LEU 43 12.935 10.044 9.488 359 2HB LEU 43 HB1 LEU 43 13.113 11.383 10.622 360 HG LEU 43 HG LEU 43 15.603 10.521 10.778 361 1HD1 LEU 43 HD1 LEU 43 14.504 9.267 8.277 362 2HD1 LEU 43 HD1 LEU 43 15.618 8.588 9.464 363 3HD1 LEU 43 HD1 LEU 43 16.184 9.803 8.316 364 1HD2 LEU 43 HD2 LEU 43 14.684 12.714 9.834 365 2HD2 LEU 43 HD2 LEU 43 14.716 11.934 8.252 366 3HD2 LEU 43 HD2 LEU 43 16.215 12.166 9.151 367 H GLY 44 HN GLY 44 12.520 8.234 13.554 368 1HA GLY 44 HA2 GLY 44 9.750 9.107 13.301 369 2HA GLY 44 HA1 GLY 44 10.417 8.154 14.627
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