NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579758 | 2ru3 | 11541 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 19 1H GLY 19 -12.516 14.287 11.773 2 H2 GLY 19 2H GLY 19 -13.924 14.009 10.972 3 H3 GLY 19 3H GLY 19 -12.495 13.508 10.339 4 HA2 GLY 19 1HA GLY 19 -11.741 15.776 10.059 5 HA3 GLY 19 2HA GLY 19 -13.238 15.458 9.165 6 H SER 20 H SER 20 -12.006 16.688 12.279 7 HA SER 20 HA SER 20 -14.290 18.625 12.484 8 HB2 SER 20 1HB SER 20 -13.389 16.727 14.680 9 HB3 SER 20 2HB SER 20 -14.671 17.941 14.790 10 HG SER 20 HG SER 20 -15.515 15.834 14.411 11 H THR 21 H THR 21 -10.895 17.921 13.159 12 HA THR 21 HA THR 21 -10.535 20.673 14.255 13 HB THR 21 HB THR 21 -9.103 19.887 16.033 14 HG1 THR 21 1HG THR 21 -9.080 17.549 16.398 15 HG21 THR 21 3HG2 THR 21 -10.637 18.833 17.544 16 HG22 THR 21 1HG2 THR 21 -11.545 19.983 16.553 17 HG23 THR 21 2HG2 THR 21 -11.651 18.238 16.217 18 H ASN 22 H ASN 22 -8.023 20.944 14.627 19 HA ASN 22 HA ASN 22 -6.659 20.377 12.077 20 HB2 ASN 22 1HB ASN 22 -5.074 22.006 12.748 21 HB3 ASN 22 2HB ASN 22 -6.665 22.670 13.081 22 HD21 ASN 22 2HD2 ASN 22 -3.947 23.303 14.268 23 HD22 ASN 22 1HD2 ASN 22 -4.176 23.104 15.997 24 H ALA 23 H ALA 23 -7.044 18.566 14.810 25 HA ALA 23 HA ALA 23 -4.245 17.698 15.184 26 HB1 ALA 23 1HB ALA 23 -5.764 18.145 17.110 27 HB2 ALA 23 2HB ALA 23 -6.814 16.814 16.566 28 HB3 ALA 23 3HB ALA 23 -5.154 16.482 17.092 29 H GLU 24 H GLU 24 -5.466 17.178 12.607 30 HA GLU 24 HA GLU 24 -5.065 14.350 12.173 31 HB2 GLU 24 1HB GLU 24 -7.365 13.884 11.407 32 HB3 GLU 24 2HB GLU 24 -7.338 14.266 13.122 33 HG2 GLU 24 1HG GLU 24 -8.105 16.570 12.638 34 HG3 GLU 24 2HG GLU 24 -8.118 16.210 10.906 35 HA PRO 25 HA PRO 25 -4.234 16.169 8.195 36 HB2 PRO 25 1HB PRO 25 -4.412 14.112 6.422 37 HB3 PRO 25 2HB PRO 25 -3.180 14.182 7.711 38 HG2 PRO 25 1HG PRO 25 -5.841 12.716 7.789 39 HG3 PRO 25 2HG PRO 25 -4.210 12.068 8.170 40 HD2 PRO 25 1HD PRO 25 -5.882 12.961 10.112 41 HD3 PRO 25 2HD PRO 25 -4.119 13.239 10.215 42 H VAL 26 H VAL 26 -6.324 17.335 8.791 43 HA VAL 26 HA VAL 26 -8.745 16.783 7.380 44 HB VAL 26 HB VAL 26 -8.449 18.049 9.508 45 HG11 VAL 26 1HG1 VAL 26 -6.646 19.601 8.812 46 HG12 VAL 26 2HG1 VAL 26 -7.796 20.448 7.754 47 HG13 VAL 26 3HG1 VAL 26 -8.038 20.445 9.509 48 HG21 VAL 26 3HG2 VAL 26 -10.375 19.446 9.284 49 HG22 VAL 26 1HG2 VAL 26 -10.193 19.547 7.528 50 HG23 VAL 26 2HG2 VAL 26 -10.615 17.997 8.294 51 H VAL 27 H VAL 27 -5.944 17.784 6.046 52 HA VAL 27 HA VAL 27 -7.110 18.646 3.515 53 HB VAL 27 HB VAL 27 -5.498 20.544 3.244 54 HG11 VAL 27 1HG1 VAL 27 -7.903 20.943 3.694 55 HG12 VAL 27 2HG1 VAL 27 -7.537 21.074 5.430 56 HG13 VAL 27 3HG1 VAL 27 -6.852 22.239 4.286 57 HG21 VAL 27 3HG2 VAL 27 -4.578 21.704 5.195 58 HG22 VAL 27 1HG2 VAL 27 -5.203 20.448 6.280 59 HG23 VAL 27 2HG2 VAL 27 -3.930 20.062 5.100 60 H GLY 28 H GLY 28 -5.535 18.476 1.760 61 HA2 GLY 28 1HA GLY 28 -2.959 17.133 2.313 62 HA3 GLY 28 2HA GLY 28 -4.194 16.147 1.553 63 H SER 29 H SER 29 -2.183 16.129 0.069 64 HA SER 29 HA SER 29 -1.789 18.406 -1.701 65 HB2 SER 29 1HB SER 29 -0.208 16.869 -2.823 66 HB3 SER 29 2HB SER 29 0.057 16.959 -1.074 67 HG SER 29 HG SER 29 0.027 14.776 -2.038 68 H ARG 30 H ARG 30 -4.204 16.097 -1.666 69 HA ARG 30 HA ARG 30 -5.951 15.667 -2.983 70 HB2 ARG 30 1HB ARG 30 -4.906 17.697 -4.982 71 HB3 ARG 30 2HB ARG 30 -6.527 17.016 -4.902 72 HG2 ARG 30 1HG ARG 30 -6.855 18.012 -2.647 73 HG3 ARG 30 2HG ARG 30 -5.246 18.755 -2.750 74 HD2 ARG 30 1HD ARG 30 -5.943 19.980 -4.789 75 HD3 ARG 30 2HD ARG 30 -7.568 19.275 -4.646 76 HE ARG 30 HE ARG 30 -6.919 20.509 -2.177 77 HH11 ARG 30 1HH1 ARG 30 -7.621 21.545 -5.487 78 HH12 ARG 30 2HH1 ARG 30 -8.222 23.092 -4.974 79 HH21 ARG 30 1HH2 ARG 30 -7.711 22.521 -1.582 80 HH22 ARG 30 2HH2 ARG 30 -8.272 23.635 -2.792 81 H ASP 31 H ASP 31 -2.923 14.743 -3.909 82 HA ASP 31 HA ASP 31 -3.943 12.669 -5.748 83 HB2 ASP 31 1HB ASP 31 -3.409 14.565 -7.226 84 HB3 ASP 31 2HB ASP 31 -1.799 14.692 -6.515 85 H THR 32 H THR 32 -2.845 10.826 -5.593 86 HA THR 32 HA THR 32 -1.704 9.135 -4.732 87 HB THR 32 HB THR 32 0.576 9.145 -4.140 88 HG1 THR 32 1HG THR 32 0.291 11.947 -4.079 89 HG21 THR 32 3HG2 THR 32 1.588 10.015 -6.164 90 HG22 THR 32 1HG2 THR 32 0.018 9.288 -6.549 91 HG23 THR 32 2HG2 THR 32 0.184 11.057 -6.478 92 H MET 33 H MET 33 -1.517 11.931 -2.521 93 HA MET 33 HA MET 33 -1.572 10.472 -0.089 94 HB2 MET 33 1HB MET 33 -1.123 12.891 -0.384 95 HB3 MET 33 2HB MET 33 -2.839 13.177 -0.713 96 HG2 MET 33 1HG MET 33 -3.430 12.417 1.533 97 HG3 MET 33 2HG MET 33 -1.772 11.933 1.850 98 HE1 MET 33 3HE MET 33 0.133 15.237 2.415 99 HE2 MET 33 1HE MET 33 0.177 13.463 2.440 100 HE3 MET 33 2HE MET 33 0.072 14.333 0.892 101 H PHE 34 H PHE 34 -4.135 10.953 -2.400 102 HA PHE 34 HA PHE 34 -6.075 9.546 -0.608 103 HB2 PHE 34 1HB PHE 34 -6.676 11.515 -2.826 104 HB3 PHE 34 2HB PHE 34 -7.848 10.771 -1.743 105 HD1 PHE 34 2HD PHE 34 -6.367 11.184 0.931 106 HD2 PHE 34 1HD PHE 34 -7.159 13.776 -2.422 107 HE1 PHE 34 2HE PHE 34 -6.219 13.152 2.422 108 HE2 PHE 34 1HE PHE 34 -7.038 15.752 -0.910 109 HZ PHE 34 HZ PHE 34 -6.557 15.441 1.509 110 H THR 35 H THR 35 -4.093 8.708 -3.037 111 HA THR 35 HA THR 35 -6.046 6.801 -4.240 112 HB THR 35 HB THR 35 -5.103 7.214 -6.493 113 HG1 THR 35 1HG THR 35 -3.946 9.090 -6.821 114 HG21 THR 35 3HG2 THR 35 -6.425 9.137 -7.026 115 HG22 THR 35 1HG2 THR 35 -7.268 8.231 -5.760 116 HG23 THR 35 2HG2 THR 35 -6.378 9.720 -5.351 117 H LYS 36 H LYS 36 -2.767 7.368 -3.215 118 HA LYS 36 HA LYS 36 -1.880 4.764 -4.336 119 HB2 LYS 36 1HB LYS 36 -0.510 6.782 -4.732 120 HB3 LYS 36 2HB LYS 36 -0.316 6.993 -2.982 121 HG2 LYS 36 1HG LYS 36 0.855 4.839 -2.815 122 HG3 LYS 36 2HG LYS 36 0.595 4.538 -4.545 123 HD2 LYS 36 1HD LYS 36 1.934 6.531 -5.114 124 HD3 LYS 36 2HD LYS 36 2.155 6.894 -3.385 125 HE2 LYS 36 1HE LYS 36 3.311 4.724 -3.068 126 HE3 LYS 36 2HE LYS 36 3.072 4.333 -4.776 127 HZ1 LYS 36 3HZ LYS 36 5.273 5.225 -4.290 128 HZ2 LYS 36 1HZ LYS 36 4.486 6.173 -5.371 129 HZ3 LYS 36 2HZ LYS 36 4.641 6.657 -3.806 130 H ILE 37 H ILE 37 -1.734 3.022 -3.113 131 HA ILE 37 HA ILE 37 -2.250 3.191 -0.166 132 HB ILE 37 HB ILE 37 -3.215 1.056 -2.101 133 HG12 ILE 37 1HG1 ILE 37 -4.882 3.382 -1.051 134 HG13 ILE 37 2HG1 ILE 37 -4.274 3.265 -2.703 135 HG21 ILE 37 1HG2 ILE 37 -3.015 0.456 0.330 136 HG22 ILE 37 2HG2 ILE 37 -4.165 1.757 0.708 137 HG23 ILE 37 3HG2 ILE 37 -4.654 0.370 -0.282 138 HD11 ILE 37 3HD1 ILE 37 -6.544 2.575 -2.724 139 HD12 ILE 37 1HD1 ILE 37 -5.537 1.149 -3.029 140 HD13 ILE 37 2HD1 ILE 37 -6.283 1.399 -1.429 141 H PHE 38 H PHE 38 -0.710 2.350 1.040 142 HA PHE 38 HA PHE 38 1.269 0.369 0.048 143 HB2 PHE 38 1HB PHE 38 2.236 2.069 1.444 144 HB3 PHE 38 2HB PHE 38 0.909 2.005 2.579 145 HD1 PHE 38 1HD PHE 38 0.672 0.229 4.206 146 HD2 PHE 38 2HD PHE 38 4.169 0.406 1.652 147 HE1 PHE 38 1HE PHE 38 1.843 -1.368 5.700 148 HE2 PHE 38 2HE PHE 38 5.343 -1.082 3.231 149 HZ PHE 38 HZ PHE 38 4.199 -2.041 5.190 150 H VAL 39 H VAL 39 1.092 -1.770 0.592 151 HA VAL 39 HA VAL 39 -1.135 -2.640 2.393 152 HB VAL 39 HB VAL 39 -0.614 -3.899 -0.335 153 HG11 VAL 39 1HG1 VAL 39 -1.395 -5.558 1.227 154 HG12 VAL 39 2HG1 VAL 39 -2.555 -4.448 1.956 155 HG13 VAL 39 3HG1 VAL 39 -2.827 -5.060 0.317 156 HG21 VAL 39 3HG2 VAL 39 -2.783 -3.026 -1.000 157 HG22 VAL 39 1HG2 VAL 39 -2.934 -2.138 0.539 158 HG23 VAL 39 2HG2 VAL 39 -1.682 -1.706 -0.649 159 H GLY 40 H GLY 40 0.224 -3.203 4.018 160 HA2 GLY 40 1HA GLY 40 2.360 -5.239 3.468 161 HA3 GLY 40 2HA GLY 40 2.305 -4.232 4.893 162 H GLY 41 H GLY 41 2.714 -6.522 5.682 163 HA2 GLY 41 1HA GLY 41 2.001 -8.304 6.935 164 HA3 GLY 41 2HA GLY 41 0.351 -7.627 6.894 165 H LEU 42 H LEU 42 1.882 -8.308 3.873 166 HA LEU 42 HA LEU 42 -0.129 -10.283 3.121 167 HB2 LEU 42 1HB LEU 42 2.383 -9.235 1.728 168 HB3 LEU 42 2HB LEU 42 1.204 -10.293 0.972 169 HG LEU 42 HG LEU 42 0.601 -7.470 1.969 170 HD11 LEU 42 1HD1 LEU 42 2.151 -7.489 0.046 171 HD12 LEU 42 2HD1 LEU 42 1.031 -8.522 -0.862 172 HD13 LEU 42 3HD1 LEU 42 0.558 -6.868 -0.418 173 HD21 LEU 42 3HD2 LEU 42 -1.494 -7.781 0.591 174 HD22 LEU 42 1HD2 LEU 42 -1.068 -9.491 0.400 175 HD23 LEU 42 2HD2 LEU 42 -1.423 -8.828 2.012 176 HA PRO 43 HA PRO 43 2.495 -13.845 3.977 177 HB2 PRO 43 1HB PRO 43 1.430 -15.742 2.368 178 HB3 PRO 43 2HB PRO 43 0.619 -15.166 3.849 179 HG2 PRO 43 1HG PRO 43 0.066 -14.365 0.994 180 HG3 PRO 43 2HG PRO 43 -1.100 -14.710 2.305 181 HD2 PRO 43 1HD PRO 43 -0.312 -12.148 1.581 182 HD3 PRO 43 2HD PRO 43 -0.862 -12.584 3.214 183 H TYR 44 H TYR 44 4.418 -14.604 3.050 184 HA TYR 44 HA TYR 44 5.533 -12.895 1.122 185 HB2 TYR 44 1HB TYR 44 6.569 -15.570 2.106 186 HB3 TYR 44 2HB TYR 44 7.536 -14.348 1.301 187 HD1 TYR 44 2HD TYR 44 6.630 -11.822 2.690 188 HD2 TYR 44 1HD TYR 44 7.591 -15.740 4.218 189 HE1 TYR 44 2HE TYR 44 7.263 -10.817 4.866 190 HE2 TYR 44 1HE TYR 44 8.234 -14.730 6.396 191 HH TYR 44 HH TYR 44 8.046 -11.195 6.990 192 H HIS 45 H HIS 45 3.676 -15.634 0.323 193 HA HIS 45 HA HIS 45 4.962 -16.058 -2.302 194 HB2 HIS 45 1HB HIS 45 3.434 -17.872 -2.555 195 HB3 HIS 45 2HB HIS 45 4.104 -17.944 -0.931 196 HD2 HIS 45 2HD HIS 45 0.826 -17.204 -2.825 197 HE1 HIS 45 1HE HIS 45 -0.212 -17.496 1.290 198 HE2 HIS 45 2HE HIS 45 -1.133 -17.271 -1.066 199 H THR 46 H THR 46 2.860 -13.714 -1.199 200 HA THR 46 HA THR 46 0.898 -13.533 -3.308 201 HB THR 46 HB THR 46 1.987 -11.271 -1.577 202 HG1 THR 46 1HG THR 46 1.244 -12.812 -0.220 203 HG21 THR 46 3HG2 THR 46 -0.236 -10.287 -1.865 204 HG22 THR 46 1HG2 THR 46 0.476 -10.541 -3.463 205 HG23 THR 46 2HG2 THR 46 -0.762 -11.660 -2.846 206 H SER 47 H SER 47 1.017 -12.672 -5.326 207 HA SER 47 HA SER 47 3.525 -11.258 -6.165 208 HB2 SER 47 1HB SER 47 1.543 -12.909 -7.771 209 HB3 SER 47 2HB SER 47 2.887 -11.984 -8.456 210 HG SER 47 HG SER 47 3.415 -14.217 -8.108 211 H ASP 48 H ASP 48 3.140 -9.727 -8.056 212 HA ASP 48 HA ASP 48 1.476 -7.566 -7.298 213 HB2 ASP 48 1HB ASP 48 2.095 -6.628 -9.452 214 HB3 ASP 48 2HB ASP 48 3.494 -7.346 -8.661 215 H LYS 49 H LYS 49 0.849 -10.230 -9.605 216 HA LYS 49 HA LYS 49 -1.741 -9.205 -10.392 217 HB2 LYS 49 1HB LYS 49 -2.048 -11.222 -11.587 218 HB3 LYS 49 2HB LYS 49 -0.397 -10.648 -11.828 219 HG2 LYS 49 1HG LYS 49 0.364 -12.300 -10.077 220 HG3 LYS 49 2HG LYS 49 -1.309 -12.871 -9.958 221 HD2 LYS 49 1HD LYS 49 -0.076 -14.404 -11.345 222 HD3 LYS 49 2HD LYS 49 -1.256 -13.546 -12.346 223 HE2 LYS 49 1HE LYS 49 0.543 -12.026 -13.159 224 HE3 LYS 49 2HE LYS 49 1.715 -12.850 -12.123 225 HZ1 LYS 49 3HZ LYS 49 1.801 -13.679 -14.397 226 HZ2 LYS 49 1HZ LYS 49 1.316 -14.880 -13.404 227 HZ3 LYS 49 2HZ LYS 49 0.229 -14.118 -14.358 228 H THR 50 H THR 50 -0.701 -11.418 -7.807 229 HA THR 50 HA THR 50 -3.260 -12.368 -6.967 230 HB THR 50 HB THR 50 -0.948 -11.758 -5.102 231 HG1 THR 50 1HG THR 50 -1.203 -14.032 -6.774 232 HG21 THR 50 3HG2 THR 50 -1.663 -13.869 -4.012 233 HG22 THR 50 1HG2 THR 50 -2.963 -12.670 -4.028 234 HG23 THR 50 2HG2 THR 50 -2.993 -14.020 -5.181 235 H LEU 51 H LEU 51 -1.377 -9.480 -6.039 236 HA LEU 51 HA LEU 51 -3.371 -8.513 -4.204 237 HB2 LEU 51 1HB LEU 51 -0.862 -8.040 -4.195 238 HB3 LEU 51 2HB LEU 51 -1.105 -7.030 -5.616 239 HG LEU 51 HG LEU 51 -2.632 -5.554 -4.234 240 HD11 LEU 51 1HD1 LEU 51 -3.313 -7.139 -2.482 241 HD12 LEU 51 2HD1 LEU 51 -1.626 -7.292 -1.936 242 HD13 LEU 51 3HD1 LEU 51 -2.491 -5.747 -1.776 243 HD21 LEU 51 3HD2 LEU 51 -0.759 -4.517 -2.961 244 HD22 LEU 51 1HD2 LEU 51 0.221 -5.966 -3.247 245 HD23 LEU 51 2HD2 LEU 51 -0.305 -4.959 -4.617 246 H HIS 52 H HIS 52 -2.698 -7.739 -7.632 247 HA HIS 52 HA HIS 52 -4.673 -5.704 -7.907 248 HB2 HIS 52 1HB HIS 52 -2.870 -6.199 -9.541 249 HB3 HIS 52 2HB HIS 52 -3.625 -7.737 -9.923 250 HD2 HIS 52 2HD HIS 52 -3.777 -4.050 -10.794 251 HE1 HIS 52 1HE HIS 52 -6.909 -5.912 -12.994 252 HE2 HIS 52 2HE HIS 52 -5.559 -3.771 -12.705 253 H GLU 53 H GLU 53 -4.884 -9.227 -8.045 254 HA GLU 53 HA GLU 53 -7.636 -9.379 -8.959 255 HB2 GLU 53 1HB GLU 53 -5.637 -11.363 -7.838 256 HB3 GLU 53 2HB GLU 53 -7.322 -11.819 -8.119 257 HG2 GLU 53 1HG GLU 53 -7.139 -11.153 -10.493 258 HG3 GLU 53 2HG GLU 53 -5.443 -10.742 -10.262 259 H TYR 54 H TYR 54 -6.285 -8.682 -5.840 260 HA TYR 54 HA TYR 54 -8.845 -9.376 -4.488 261 HB2 TYR 54 1HB TYR 54 -6.610 -9.914 -3.444 262 HB3 TYR 54 2HB TYR 54 -6.339 -8.182 -3.263 263 HD1 TYR 54 2HD TYR 54 -8.392 -11.081 -2.229 264 HD2 TYR 54 1HD TYR 54 -7.665 -6.873 -1.620 265 HE1 TYR 54 2HE TYR 54 -9.887 -11.117 -0.244 266 HE2 TYR 54 1HE TYR 54 -9.168 -6.903 0.362 267 HH TYR 54 HH TYR 54 -10.881 -9.884 1.416 268 H PHE 55 H PHE 55 -6.857 -6.499 -5.327 269 HA PHE 55 HA PHE 55 -8.646 -4.688 -3.986 270 HB2 PHE 55 1HB PHE 55 -6.168 -4.426 -5.655 271 HB3 PHE 55 2HB PHE 55 -7.191 -3.010 -5.476 272 HD1 PHE 55 2HD PHE 55 -5.698 -5.730 -3.307 273 HD2 PHE 55 1HD PHE 55 -6.857 -1.587 -3.670 274 HE1 PHE 55 2HE PHE 55 -4.913 -5.301 -1.001 275 HE2 PHE 55 1HE PHE 55 -6.042 -1.168 -1.369 276 HZ PHE 55 HZ PHE 55 -5.129 -3.033 -0.011 277 H GLU 56 H GLU 56 -8.943 -6.074 -7.118 278 HA GLU 56 HA GLU 56 -10.329 -3.916 -8.354 279 HB2 GLU 56 1HB GLU 56 -10.973 -5.541 -10.065 280 HB3 GLU 56 2HB GLU 56 -9.270 -5.574 -9.658 281 HG2 GLU 56 1HG GLU 56 -9.790 -7.809 -9.905 282 HG3 GLU 56 2HG GLU 56 -9.763 -7.603 -8.165 283 H GLN 57 H GLN 57 -11.445 -5.809 -5.774 284 HA GLN 57 HA GLN 57 -14.292 -5.526 -6.344 285 HB2 GLN 57 1HB GLN 57 -14.650 -6.442 -4.203 286 HB3 GLN 57 2HB GLN 57 -13.244 -7.286 -4.847 287 HG2 GLN 57 1HG GLN 57 -11.798 -5.637 -3.490 288 HG3 GLN 57 2HG GLN 57 -13.292 -5.080 -2.741 289 HE21 GLN 57 2HE2 GLN 57 -10.885 -7.596 -2.763 290 HE22 GLN 57 1HE2 GLN 57 -11.603 -8.537 -1.457 291 H PHE 58 H PHE 58 -11.836 -3.346 -5.189 292 HA PHE 58 HA PHE 58 -13.756 -1.594 -3.783 293 HB2 PHE 58 1HB PHE 58 -10.774 -1.257 -4.225 294 HB3 PHE 58 2HB PHE 58 -11.782 -0.368 -3.097 295 HD1 PHE 58 1HD PHE 58 -13.284 -2.240 -1.548 296 HD2 PHE 58 2HD PHE 58 -9.288 -2.654 -3.107 297 HE1 PHE 58 1HE PHE 58 -12.741 -3.847 0.260 298 HE2 PHE 58 2HE PHE 58 -8.747 -4.267 -1.300 299 HZ PHE 58 HZ PHE 58 -10.478 -4.865 0.390 300 H GLY 59 H GLY 59 -12.492 -1.897 -6.958 301 HA2 GLY 59 1HA GLY 59 -13.844 -0.327 -8.495 302 HA3 GLY 59 2HA GLY 59 -13.018 0.968 -7.641 303 H ASP 60 H ASP 60 -11.834 1.755 -9.334 304 HA ASP 60 HA ASP 60 -10.576 -0.068 -11.273 305 HB2 ASP 60 1HB ASP 60 -10.850 2.961 -11.158 306 HB3 ASP 60 2HB ASP 60 -10.055 2.067 -12.454 307 H ILE 61 H ILE 61 -8.565 -0.755 -11.187 308 HA ILE 61 HA ILE 61 -6.555 0.534 -9.416 309 HB ILE 61 HB ILE 61 -6.428 -2.086 -10.934 310 HG12 ILE 61 1HG1 ILE 61 -6.799 -1.672 -7.934 311 HG13 ILE 61 2HG1 ILE 61 -8.152 -1.980 -9.024 312 HG21 ILE 61 1HG2 ILE 61 -4.192 -1.206 -10.573 313 HG22 ILE 61 2HG2 ILE 61 -4.578 -0.750 -8.898 314 HG23 ILE 61 3HG2 ILE 61 -4.431 -2.445 -9.360 315 HD11 ILE 61 3HD1 ILE 61 -7.462 -4.046 -7.976 316 HD12 ILE 61 1HD1 ILE 61 -7.148 -4.136 -9.710 317 HD13 ILE 61 2HD1 ILE 61 -5.818 -3.875 -8.552 318 H GLU 62 H GLU 62 -4.942 1.734 -10.137 319 HA GLU 62 HA GLU 62 -4.565 2.323 -12.999 320 HB2 GLU 62 1HB GLU 62 -4.656 3.987 -11.017 321 HB3 GLU 62 2HB GLU 62 -3.036 3.449 -10.619 322 HG2 GLU 62 1HG GLU 62 -3.916 4.672 -13.269 323 HG3 GLU 62 2HG GLU 62 -3.187 5.557 -11.931 324 H GLU 63 H GLU 63 -2.740 0.985 -10.209 325 HA GLU 63 HA GLU 63 -1.219 -0.875 -11.816 326 HB2 GLU 63 1HB GLU 63 0.057 1.234 -12.221 327 HB3 GLU 63 2HB GLU 63 0.264 1.440 -10.479 328 HG2 GLU 63 1HG GLU 63 1.640 -0.573 -10.363 329 HG3 GLU 63 2HG GLU 63 1.261 -0.981 -12.042 330 H ALA 64 H ALA 64 -0.144 -2.437 -10.456 331 HA ALA 64 HA ALA 64 -0.286 -2.128 -7.532 332 HB1 ALA 64 1HB ALA 64 -2.444 -3.184 -8.140 333 HB2 ALA 64 2HB ALA 64 -1.570 -4.447 -9.033 334 HB3 ALA 64 3HB ALA 64 -1.405 -4.330 -7.270 335 H VAL 65 H VAL 65 1.217 -3.364 -6.429 336 HA VAL 65 HA VAL 65 3.096 -5.167 -7.842 337 HB VAL 65 HB VAL 65 5.076 -3.894 -7.107 338 HG11 VAL 65 1HG1 VAL 65 4.268 -3.654 -9.440 339 HG12 VAL 65 2HG1 VAL 65 3.390 -2.180 -8.960 340 HG13 VAL 65 3HG1 VAL 65 5.155 -2.243 -8.845 341 HG21 VAL 65 3HG2 VAL 65 4.929 -1.521 -6.478 342 HG22 VAL 65 1HG2 VAL 65 3.161 -1.612 -6.463 343 HG23 VAL 65 2HG2 VAL 65 4.124 -2.541 -5.288 344 H VAL 66 H VAL 66 4.644 -6.192 -6.388 345 HA VAL 66 HA VAL 66 4.154 -5.910 -3.469 346 HB VAL 66 HB VAL 66 4.430 -8.590 -4.888 347 HG11 VAL 66 1HG1 VAL 66 5.687 -8.641 -2.768 348 HG12 VAL 66 2HG1 VAL 66 4.317 -7.900 -1.908 349 HG13 VAL 66 3HG1 VAL 66 4.183 -9.537 -2.566 350 HG21 VAL 66 3HG2 VAL 66 2.220 -9.070 -3.877 351 HG22 VAL 66 1HG2 VAL 66 2.152 -7.425 -3.215 352 HG23 VAL 66 2HG2 VAL 66 2.115 -7.689 -4.972 353 H ILE 67 H ILE 67 6.031 -5.832 -2.277 354 HA ILE 67 HA ILE 67 8.368 -5.128 -3.894 355 HB ILE 67 HB ILE 67 7.939 -4.972 -0.895 356 HG12 ILE 67 1HG1 ILE 67 6.339 -3.494 -1.875 357 HG13 ILE 67 2HG1 ILE 67 7.687 -2.532 -1.309 358 HG21 ILE 67 1HG2 ILE 67 10.319 -4.977 -1.402 359 HG22 ILE 67 2HG2 ILE 67 10.087 -3.773 -2.688 360 HG23 ILE 67 3HG2 ILE 67 9.819 -3.335 -0.988 361 HD11 ILE 67 3HD1 ILE 67 6.916 -1.628 -3.356 362 HD12 ILE 67 1HD1 ILE 67 8.535 -2.310 -3.632 363 HD13 ILE 67 2HD1 ILE 67 7.084 -3.181 -4.203 364 H THR 68 H THR 68 9.637 -6.589 -4.620 365 HA THR 68 HA THR 68 10.897 -8.568 -2.798 366 HB THR 68 HB THR 68 11.359 -9.893 -4.907 367 HG1 THR 68 1HG THR 68 9.889 -9.504 -6.622 368 HG21 THR 68 3HG2 THR 68 9.144 -10.972 -4.937 369 HG22 THR 68 1HG2 THR 68 9.665 -10.610 -3.289 370 HG23 THR 68 2HG2 THR 68 8.440 -9.586 -4.072 371 H ASP 69 H ASP 69 13.023 -8.388 -2.597 372 HA ASP 69 HA ASP 69 14.344 -6.076 -3.271 373 HB2 ASP 69 1HB ASP 69 14.989 -7.631 -1.505 374 HB3 ASP 69 2HB ASP 69 15.529 -8.798 -2.712 375 H ARG 70 H ARG 70 15.749 -5.289 -4.743 376 HA ARG 70 HA ARG 70 15.551 -5.975 -7.409 377 HB2 ARG 70 1HB ARG 70 17.449 -4.441 -7.798 378 HB3 ARG 70 2HB ARG 70 16.207 -3.774 -6.743 379 HG2 ARG 70 1HG ARG 70 17.551 -4.002 -4.797 380 HG3 ARG 70 2HG ARG 70 18.700 -5.086 -5.578 381 HD2 ARG 70 1HD ARG 70 19.547 -3.298 -6.997 382 HD3 ARG 70 2HD ARG 70 18.282 -2.204 -6.441 383 HE ARG 70 HE ARG 70 19.331 -1.912 -4.386 384 HH11 ARG 70 1HH1 ARG 70 21.192 -4.362 -6.156 385 HH12 ARG 70 2HH1 ARG 70 22.584 -4.147 -5.129 386 HH21 ARG 70 1HH2 ARG 70 21.108 -1.731 -3.108 387 HH22 ARG 70 2HH2 ARG 70 22.521 -2.702 -3.399 388 H ASN 71 H ASN 71 17.855 -7.466 -5.194 389 HA ASN 71 HA ASN 71 19.071 -8.948 -7.501 390 HB2 ASN 71 1HB ASN 71 20.479 -7.459 -5.263 391 HB3 ASN 71 2HB ASN 71 21.262 -8.745 -6.177 392 HD21 ASN 71 2HD2 ASN 71 21.617 -8.467 -8.511 393 HD22 ASN 71 1HD2 ASN 71 21.650 -6.842 -9.170 394 H THR 72 H THR 72 17.865 -9.189 -4.224 395 HA THR 72 HA THR 72 18.520 -12.125 -4.257 396 HB THR 72 HB THR 72 17.851 -12.102 -1.847 397 HG1 THR 72 1HG THR 72 18.017 -9.293 -2.164 398 HG21 THR 72 3HG2 THR 72 19.920 -11.073 -1.031 399 HG22 THR 72 1HG2 THR 72 20.239 -11.985 -2.517 400 HG23 THR 72 2HG2 THR 72 20.143 -10.210 -2.568 401 H GLN 73 H GLN 73 15.892 -9.978 -4.752 402 HA GLN 73 HA GLN 73 13.679 -10.244 -5.071 403 HB2 GLN 73 1HB GLN 73 14.621 -13.021 -5.872 404 HB3 GLN 73 2HB GLN 73 12.965 -12.481 -6.093 405 HG2 GLN 73 1HG GLN 73 15.305 -10.907 -7.242 406 HG3 GLN 73 2HG GLN 73 14.549 -12.249 -8.089 407 HE21 GLN 73 2HE2 GLN 73 13.988 -8.887 -6.954 408 HE22 GLN 73 1HE2 GLN 73 12.495 -8.703 -7.862 409 H LYS 74 H LYS 74 14.826 -10.952 -2.314 410 HA LYS 74 HA LYS 74 12.897 -12.728 -1.143 411 HB2 LYS 74 1HB LYS 74 13.910 -12.050 0.971 412 HB3 LYS 74 2HB LYS 74 15.102 -12.432 -0.253 413 HG2 LYS 74 1HG LYS 74 16.097 -10.630 0.606 414 HG3 LYS 74 2HG LYS 74 15.170 -9.848 -0.669 415 HD2 LYS 74 1HD LYS 74 13.433 -9.233 1.037 416 HD3 LYS 74 2HD LYS 74 14.449 -9.941 2.291 417 HE2 LYS 74 1HE LYS 74 15.309 -7.681 0.410 418 HE3 LYS 74 2HE LYS 74 14.623 -7.418 2.007 419 HZ1 LYS 74 3HZ LYS 74 17.047 -7.369 2.055 420 HZ2 LYS 74 1HZ LYS 74 16.524 -8.640 2.942 421 HZ3 LYS 74 2HZ LYS 74 17.150 -8.877 1.446 422 H SER 75 H SER 75 10.922 -12.363 -0.355 423 HA SER 75 HA SER 75 9.522 -9.902 -1.021 424 HB2 SER 75 1HB SER 75 8.575 -12.315 0.571 425 HB3 SER 75 2HB SER 75 7.558 -11.059 -0.156 426 HG SER 75 HG SER 75 7.700 -12.977 -1.450 427 H ARG 76 H ARG 76 9.268 -8.124 0.249 428 HA ARG 76 HA ARG 76 10.220 -8.190 3.024 429 HB2 ARG 76 1HB ARG 76 9.217 -5.930 1.266 430 HB3 ARG 76 2HB ARG 76 9.715 -5.755 2.957 431 HG2 ARG 76 1HG ARG 76 11.924 -6.898 2.291 432 HG3 ARG 76 2HG ARG 76 11.462 -6.592 0.613 433 HD2 ARG 76 1HD ARG 76 11.542 -4.243 0.900 434 HD3 ARG 76 2HD ARG 76 11.377 -4.344 2.649 435 HE ARG 76 HE ARG 76 13.857 -4.829 1.083 436 HH11 ARG 76 1HH1 ARG 76 12.430 -4.627 4.330 437 HH12 ARG 76 2HH1 ARG 76 13.993 -4.457 5.071 438 HH21 ARG 76 1HH2 ARG 76 15.742 -4.536 2.053 439 HH22 ARG 76 2HH2 ARG 76 15.872 -4.411 3.796 440 H GLY 77 H GLY 77 7.285 -9.117 1.879 441 HA2 GLY 77 1HA GLY 77 5.383 -9.709 3.117 442 HA3 GLY 77 2HA GLY 77 5.951 -8.719 4.483 443 H TYR 78 H TYR 78 6.071 -6.819 1.708 444 HA TYR 78 HA TYR 78 3.258 -5.995 1.804 445 HB2 TYR 78 1HB TYR 78 3.729 -3.740 2.352 446 HB3 TYR 78 2HB TYR 78 4.587 -4.701 3.540 447 HD1 TYR 78 1HD TYR 78 7.071 -4.817 3.507 448 HD2 TYR 78 2HD TYR 78 4.860 -2.345 0.750 449 HE1 TYR 78 1HE TYR 78 9.133 -3.507 3.014 450 HE2 TYR 78 2HE TYR 78 6.912 -0.996 0.334 451 HH TYR 78 HH TYR 78 10.046 -1.706 1.870 452 H GLY 79 H GLY 79 2.613 -4.479 0.275 453 HA2 GLY 79 1HA GLY 79 4.208 -4.089 -2.205 454 HA3 GLY 79 2HA GLY 79 2.615 -4.851 -2.286 455 H PHE 80 H PHE 80 2.409 -2.962 -3.736 456 HA PHE 80 HA PHE 80 1.024 -0.780 -2.311 457 HB2 PHE 80 1HB PHE 80 3.293 -0.450 -4.277 458 HB3 PHE 80 2HB PHE 80 1.985 0.708 -4.290 459 HD1 PHE 80 1HD PHE 80 4.783 -0.642 -2.228 460 HD2 PHE 80 2HD PHE 80 1.664 2.328 -2.569 461 HE1 PHE 80 1HE PHE 80 5.802 0.673 -0.393 462 HE2 PHE 80 2HE PHE 80 2.704 3.629 -0.728 463 HZ PHE 80 HZ PHE 80 4.767 2.790 0.375 464 H VAL 81 H VAL 81 -0.667 0.107 -3.371 465 HA VAL 81 HA VAL 81 -1.347 -0.792 -6.133 466 HB VAL 81 HB VAL 81 -3.422 -0.691 -3.899 467 HG11 VAL 81 1HG1 VAL 81 -4.301 -0.169 -6.160 468 HG12 VAL 81 2HG1 VAL 81 -3.593 -1.668 -6.787 469 HG13 VAL 81 3HG1 VAL 81 -4.904 -1.729 -5.594 470 HG21 VAL 81 3HG2 VAL 81 -3.595 -3.167 -4.173 471 HG22 VAL 81 1HG2 VAL 81 -2.148 -3.134 -5.199 472 HG23 VAL 81 2HG2 VAL 81 -2.055 -2.657 -3.485 473 H THR 82 H THR 82 -2.012 0.910 -7.378 474 HA THR 82 HA THR 82 -2.811 3.472 -6.022 475 HB THR 82 HB THR 82 -1.456 3.212 -8.734 476 HG1 THR 82 1HG THR 82 -0.016 2.815 -7.048 477 HG21 THR 82 3HG2 THR 82 -1.229 5.679 -8.497 478 HG22 THR 82 1HG2 THR 82 -2.926 5.192 -8.579 479 HG23 THR 82 2HG2 THR 82 -2.204 5.628 -7.013 480 H MET 83 H MET 83 -4.754 4.222 -6.513 481 HA MET 83 HA MET 83 -6.442 2.637 -8.403 482 HB2 MET 83 1HB MET 83 -7.345 4.506 -6.202 483 HB3 MET 83 2HB MET 83 -8.323 3.378 -7.114 484 HG2 MET 83 1HG MET 83 -6.120 2.664 -5.146 485 HG3 MET 83 2HG MET 83 -7.845 2.543 -4.860 486 HE1 MET 83 3HE MET 83 -9.015 -0.487 -6.882 487 HE2 MET 83 1HE MET 83 -9.395 0.720 -5.630 488 HE3 MET 83 2HE MET 83 -9.123 1.233 -7.310 489 H LYS 84 H LYS 84 -7.813 3.649 -9.896 490 HA LYS 84 HA LYS 84 -6.633 5.956 -11.182 491 HB2 LYS 84 1HB LYS 84 -9.192 4.406 -11.726 492 HB3 LYS 84 2HB LYS 84 -8.575 5.689 -12.760 493 HG2 LYS 84 1HG LYS 84 -6.388 4.333 -12.916 494 HG3 LYS 84 2HG LYS 84 -7.304 2.995 -12.193 495 HD2 LYS 84 1HD LYS 84 -8.962 3.189 -14.083 496 HD3 LYS 84 2HD LYS 84 -7.950 4.459 -14.794 497 HE2 LYS 84 1HE LYS 84 -6.044 2.861 -14.928 498 HE3 LYS 84 2HE LYS 84 -7.059 1.595 -14.220 499 HZ1 LYS 84 3HZ LYS 84 -6.995 1.426 -16.631 500 HZ2 LYS 84 1HZ LYS 84 -8.518 1.771 -16.157 501 HZ3 LYS 84 2HZ LYS 84 -7.581 2.940 -16.814 502 H ASP 85 H ASP 85 -9.031 5.796 -8.730 503 HA ASP 85 HA ASP 85 -9.272 8.708 -8.730 504 HB2 ASP 85 1HB ASP 85 -11.100 7.915 -10.284 505 HB3 ASP 85 2HB ASP 85 -11.805 7.031 -8.929 506 H ARG 86 H ARG 86 -10.054 9.550 -6.800 507 HA ARG 86 HA ARG 86 -9.282 8.280 -4.400 508 HB2 ARG 86 1HB ARG 86 -11.267 10.569 -4.741 509 HB3 ARG 86 2HB ARG 86 -10.369 10.171 -3.271 510 HG2 ARG 86 1HG ARG 86 -8.238 10.715 -4.407 511 HG3 ARG 86 2HG ARG 86 -9.106 11.072 -5.899 512 HD2 ARG 86 1HD ARG 86 -10.434 12.808 -4.479 513 HD3 ARG 86 2HD ARG 86 -9.124 12.633 -3.318 514 HE ARG 86 HE ARG 86 -7.580 13.561 -4.900 515 HH11 ARG 86 1HH1 ARG 86 -10.831 13.471 -6.328 516 HH12 ARG 86 2HH1 ARG 86 -10.357 14.507 -7.640 517 HH21 ARG 86 1HH2 ARG 86 -7.062 14.838 -6.573 518 HH22 ARG 86 2HH2 ARG 86 -8.246 15.291 -7.781 519 H ALA 87 H ALA 87 -12.459 8.363 -6.013 520 HA ALA 87 HA ALA 87 -13.987 7.249 -3.849 521 HB1 ALA 87 1HB ALA 87 -14.949 8.535 -5.730 522 HB2 ALA 87 2HB ALA 87 -14.505 7.230 -6.854 523 HB3 ALA 87 3HB ALA 87 -15.704 6.938 -5.577 524 H SER 88 H SER 88 -11.766 5.697 -6.069 525 HA SER 88 HA SER 88 -12.818 2.977 -5.394 526 HB2 SER 88 1HB SER 88 -10.495 3.840 -7.143 527 HB3 SER 88 2HB SER 88 -11.054 2.179 -6.876 528 HG SER 88 HG SER 88 -12.519 4.301 -8.112 529 H ALA 89 H ALA 89 -10.149 5.182 -4.537 530 HA ALA 89 HA ALA 89 -8.734 3.181 -2.964 531 HB1 ALA 89 1HB ALA 89 -7.604 5.115 -4.021 532 HB2 ALA 89 2HB ALA 89 -8.544 6.223 -2.995 533 HB3 ALA 89 3HB ALA 89 -7.372 5.105 -2.267 534 H GLU 90 H GLU 90 -11.180 5.685 -2.159 535 HA GLU 90 HA GLU 90 -10.934 5.425 0.634 536 HB2 GLU 90 1HB GLU 90 -12.970 6.512 0.877 537 HB3 GLU 90 2HB GLU 90 -12.144 7.232 -0.509 538 HG2 GLU 90 1HG GLU 90 -13.621 6.098 -2.048 539 HG3 GLU 90 2HG GLU 90 -14.376 5.188 -0.741 540 H ARG 91 H ARG 91 -12.878 3.537 -1.605 541 HA ARG 91 HA ARG 91 -14.199 1.873 0.334 542 HB2 ARG 91 1HB ARG 91 -13.661 1.606 -2.642 543 HB3 ARG 91 2HB ARG 91 -14.459 0.321 -1.725 544 HG2 ARG 91 1HG ARG 91 -16.206 1.854 -0.966 545 HG3 ARG 91 2HG ARG 91 -15.456 3.205 -1.824 546 HD2 ARG 91 1HD ARG 91 -16.378 0.663 -3.225 547 HD3 ARG 91 2HD ARG 91 -17.445 2.051 -2.952 548 HE ARG 91 HE ARG 91 -15.303 3.244 -4.129 549 HH11 ARG 91 1HH1 ARG 91 -17.275 0.504 -5.210 550 HH12 ARG 91 2HH1 ARG 91 -17.013 0.878 -6.887 551 HH21 ARG 91 1HH2 ARG 91 -15.019 3.661 -6.246 552 HH22 ARG 91 2HH2 ARG 91 -15.725 2.650 -7.476 553 H ALA 92 H ALA 92 -10.976 1.676 -1.067 554 HA ALA 92 HA ALA 92 -10.450 -1.031 -0.073 555 HB1 ALA 92 1HB ALA 92 -9.326 -0.103 -2.089 556 HB2 ALA 92 2HB ALA 92 -8.562 1.141 -1.084 557 HB3 ALA 92 3HB ALA 92 -8.178 -0.573 -0.822 558 H CYS 93 H CYS 93 -9.410 2.294 0.945 559 HA CYS 93 HA CYS 93 -8.057 1.306 3.274 560 HB2 CYS 93 1HB CYS 93 -7.630 3.567 3.806 561 HB3 CYS 93 2HB CYS 93 -7.639 3.489 2.038 562 HG CYS 93 HG CYS 93 -10.365 4.092 2.003 563 H LYS 94 H LYS 94 -11.443 1.943 2.808 564 HA LYS 94 HA LYS 94 -12.266 2.039 5.550 565 HB2 LYS 94 1HB LYS 94 -13.560 1.571 2.900 566 HB3 LYS 94 2HB LYS 94 -14.383 0.922 4.319 567 HG2 LYS 94 1HG LYS 94 -14.211 3.112 5.461 568 HG3 LYS 94 2HG LYS 94 -13.452 3.822 4.034 569 HD2 LYS 94 1HD LYS 94 -16.101 2.399 3.774 570 HD3 LYS 94 2HD LYS 94 -16.082 3.976 4.542 571 HE2 LYS 94 1HE LYS 94 -14.840 3.518 1.796 572 HE3 LYS 94 2HE LYS 94 -16.559 3.884 2.005 573 HZ1 LYS 94 3HZ LYS 94 -15.398 5.940 1.645 574 HZ2 LYS 94 1HZ LYS 94 -15.894 5.921 3.193 575 HZ3 LYS 94 2HZ LYS 94 -14.321 5.629 2.852 576 H ASP 95 H ASP 95 -10.904 -0.642 3.865 577 HA ASP 95 HA ASP 95 -11.566 -2.360 6.227 578 HB2 ASP 95 1HB ASP 95 -12.683 -3.208 4.263 579 HB3 ASP 95 2HB ASP 95 -11.146 -3.319 3.399 580 HA PRO 96 HA PRO 96 -7.113 -1.385 6.178 581 HB2 PRO 96 1HB PRO 96 -6.646 -1.332 8.864 582 HB3 PRO 96 2HB PRO 96 -7.476 -0.008 7.988 583 HG2 PRO 96 1HG PRO 96 -8.741 -2.296 9.535 584 HG3 PRO 96 2HG PRO 96 -9.110 -0.544 9.652 585 HD2 PRO 96 1HD PRO 96 -10.593 -2.243 8.107 586 HD3 PRO 96 2HD PRO 96 -10.272 -0.560 7.590 587 H ASN 97 H ASN 97 -8.726 -4.197 7.585 588 HA ASN 97 HA ASN 97 -6.204 -5.753 7.357 589 HB2 ASN 97 1HB ASN 97 -8.110 -6.031 9.691 590 HB3 ASN 97 2HB ASN 97 -6.623 -6.919 9.409 591 HD21 ASN 97 2HD2 ASN 97 -4.589 -5.332 9.078 592 HD22 ASN 97 1HD2 ASN 97 -4.510 -4.085 10.315 593 HA PRO 98 HA PRO 98 -9.721 -7.682 5.082 594 HB2 PRO 98 1HB PRO 98 -8.556 -7.939 2.627 595 HB3 PRO 98 2HB PRO 98 -9.238 -6.391 3.223 596 HG2 PRO 98 1HG PRO 98 -6.353 -7.334 3.282 597 HG3 PRO 98 2HG PRO 98 -6.992 -5.769 2.692 598 HD2 PRO 98 1HD PRO 98 -5.960 -6.078 5.194 599 HD3 PRO 98 2HD PRO 98 -7.359 -5.020 4.897 600 H ILE 99 H ILE 99 -6.582 -8.935 5.751 601 HA ILE 99 HA ILE 99 -5.687 -11.022 5.902 602 HB ILE 99 HB ILE 99 -8.393 -12.281 5.666 603 HG12 ILE 99 1HG1 ILE 99 -8.865 -10.522 7.214 604 HG13 ILE 99 2HG1 ILE 99 -8.730 -12.028 8.090 605 HG21 ILE 99 1HG2 ILE 99 -6.462 -13.802 5.835 606 HG22 ILE 99 2HG2 ILE 99 -5.890 -12.961 7.281 607 HG23 ILE 99 3HG2 ILE 99 -7.416 -13.866 7.315 608 HD11 ILE 99 3HD1 ILE 99 -7.695 -10.242 9.361 609 HD12 ILE 99 1HD1 ILE 99 -6.419 -11.354 8.836 610 HD13 ILE 99 2HD1 ILE 99 -6.666 -9.794 7.999 611 H ILE 100 H ILE 100 -5.052 -10.160 3.642 612 HA ILE 100 HA ILE 100 -6.138 -11.472 1.290 613 HB ILE 100 HB ILE 100 -3.653 -9.800 1.765 614 HG12 ILE 100 1HG1 ILE 100 -6.101 -9.189 0.060 615 HG13 ILE 100 2HG1 ILE 100 -6.113 -8.876 1.779 616 HG21 ILE 100 1HG2 ILE 100 -3.093 -11.288 -0.107 617 HG22 ILE 100 2HG2 ILE 100 -4.657 -10.955 -0.883 618 HG23 ILE 100 3HG2 ILE 100 -3.429 -9.683 -0.740 619 HD11 ILE 100 3HD1 ILE 100 -5.553 -6.838 0.631 620 HD12 ILE 100 1HD1 ILE 100 -4.123 -7.381 1.528 621 HD13 ILE 100 2HD1 ILE 100 -4.215 -7.614 -0.234 622 H ASP 101 H ASP 101 -5.882 -13.447 0.710 623 HA ASP 101 HA ASP 101 -5.173 -15.524 0.387 624 HB2 ASP 101 1HB ASP 101 -3.270 -13.819 -0.677 625 HB3 ASP 101 2HB ASP 101 -2.283 -14.960 0.216 626 H GLY 102 H GLY 102 -5.154 -14.576 3.241 627 HA2 GLY 102 1HA GLY 102 -5.330 -16.070 5.055 628 HA3 GLY 102 2HA GLY 102 -4.097 -17.129 4.349 629 H ARG 103 H ARG 103 -3.744 -13.600 4.928 630 HA ARG 103 HA ARG 103 -2.494 -14.016 7.518 631 HB2 ARG 103 1HB ARG 103 -0.620 -14.410 5.748 632 HB3 ARG 103 2HB ARG 103 -0.773 -12.696 5.381 633 HG2 ARG 103 1HG ARG 103 1.081 -12.965 6.867 634 HG3 ARG 103 2HG ARG 103 -0.203 -12.181 7.792 635 HD2 ARG 103 1HD ARG 103 -0.824 -14.425 8.746 636 HD3 ARG 103 2HD ARG 103 0.503 -15.148 7.823 637 HE ARG 103 HE ARG 103 1.499 -13.011 9.484 638 HH11 ARG 103 1HH1 ARG 103 0.205 -16.305 9.821 639 HH12 ARG 103 2HH1 ARG 103 1.103 -16.592 11.280 640 HH21 ARG 103 1HH2 ARG 103 2.703 -13.510 11.262 641 HH22 ARG 103 2HH2 ARG 103 2.486 -15.022 12.106 642 H LYS 104 H LYS 104 -2.513 -12.155 8.797 643 HA LYS 104 HA LYS 104 -4.476 -10.240 8.028 644 HB2 LYS 104 1HB LYS 104 -4.167 -11.016 10.326 645 HB3 LYS 104 2HB LYS 104 -2.610 -10.167 10.415 646 HG2 LYS 104 1HG LYS 104 -3.715 -7.997 10.146 647 HG3 LYS 104 2HG LYS 104 -5.251 -8.768 9.746 648 HD2 LYS 104 1HD LYS 104 -5.308 -7.904 12.004 649 HD3 LYS 104 2HD LYS 104 -5.445 -9.671 12.012 650 HE2 LYS 104 1HE LYS 104 -3.038 -9.863 12.582 651 HE3 LYS 104 2HE LYS 104 -2.870 -8.106 12.521 652 HZ1 LYS 104 3HZ LYS 104 -3.149 -8.891 14.794 653 HZ2 LYS 104 1HZ LYS 104 -4.428 -7.960 14.387 654 HZ3 LYS 104 2HZ LYS 104 -4.584 -9.588 14.442 655 H ALA 105 H ALA 105 -4.100 -9.023 6.358 656 HA ALA 105 HA ALA 105 -1.635 -7.577 5.908 657 HB1 ALA 105 1HB ALA 105 -2.925 -8.535 4.056 658 HB2 ALA 105 2HB ALA 105 -4.319 -7.509 4.467 659 HB3 ALA 105 3HB ALA 105 -2.811 -6.778 3.882 660 H ASN 106 H ASN 106 -1.693 -5.237 5.433 661 HA ASN 106 HA ASN 106 -3.276 -3.611 7.371 662 HB2 ASN 106 1HB ASN 106 -1.074 -4.411 8.210 663 HB3 ASN 106 2HB ASN 106 -0.306 -3.703 6.791 664 HD21 ASN 106 2HD2 ASN 106 0.573 -3.115 9.239 665 HD22 ASN 106 1HD2 ASN 106 0.160 -1.453 9.690 666 H VAL 107 H VAL 107 -4.511 -2.597 5.864 667 HA VAL 107 HA VAL 107 -3.313 -1.484 3.365 668 HB VAL 107 HB VAL 107 -6.219 -1.865 4.187 669 HG11 VAL 107 1HG1 VAL 107 -6.010 0.014 2.580 670 HG12 VAL 107 2HG1 VAL 107 -5.022 -1.013 1.518 671 HG13 VAL 107 3HG1 VAL 107 -6.733 -1.392 1.794 672 HG21 VAL 107 3HG2 VAL 107 -6.209 -3.646 2.457 673 HG22 VAL 107 1HG2 VAL 107 -4.469 -3.399 2.226 674 HG23 VAL 107 2HG2 VAL 107 -5.080 -4.019 3.772 675 H ASN 108 H ASN 108 -2.842 0.618 3.235 676 HA ASN 108 HA ASN 108 -4.581 2.638 4.418 677 HB2 ASN 108 1HB ASN 108 -2.863 3.733 5.759 678 HB3 ASN 108 2HB ASN 108 -3.222 2.129 6.364 679 HD21 ASN 108 2HD2 ASN 108 -1.459 0.770 6.757 680 HD22 ASN 108 1HD2 ASN 108 0.160 1.136 6.195 681 H LEU 109 H LEU 109 -4.284 4.733 3.650 682 HA LEU 109 HA LEU 109 -3.097 5.080 1.022 683 HB2 LEU 109 1HB LEU 109 -4.293 6.923 3.119 684 HB3 LEU 109 2HB LEU 109 -3.602 7.544 1.624 685 HG LEU 109 HG LEU 109 -5.833 5.471 1.631 686 HD11 LEU 109 1HD1 LEU 109 -6.637 7.458 2.820 687 HD12 LEU 109 2HD1 LEU 109 -6.068 8.509 1.508 688 HD13 LEU 109 3HD1 LEU 109 -7.388 7.354 1.220 689 HD21 LEU 109 3HD2 LEU 109 -6.200 6.392 -0.678 690 HD22 LEU 109 1HD2 LEU 109 -4.745 7.392 -0.478 691 HD23 LEU 109 2HD2 LEU 109 -4.618 5.626 -0.497 692 H ALA 110 H ALA 110 -1.045 5.287 0.636 693 HA ALA 110 HA ALA 110 1.072 4.769 1.996 694 HB1 ALA 110 1HB ALA 110 1.103 5.411 -0.364 695 HB2 ALA 110 2HB ALA 110 1.043 7.130 0.066 696 HB3 ALA 110 3HB ALA 110 2.464 6.149 0.502 697 H TYR 111 H TYR 111 0.887 8.393 1.872 698 HA TYR 111 HA TYR 111 2.644 9.263 3.484 699 HB2 TYR 111 1HB TYR 111 1.450 11.219 3.670 700 HB3 TYR 111 2HB TYR 111 0.869 10.452 2.218 701 HD1 TYR 111 2HD TYR 111 -1.359 8.892 2.610 702 HD2 TYR 111 1HD TYR 111 -0.109 12.192 5.093 703 HE1 TYR 111 2HE TYR 111 -3.670 9.110 3.495 704 HE2 TYR 111 1HE TYR 111 -2.437 12.464 5.901 705 HH TYR 111 HH TYR 111 -4.610 11.687 5.793 706 H LEU 112 H LEU 112 0.890 6.989 5.442 707 HA LEU 112 HA LEU 112 0.530 8.793 7.720 708 HB2 LEU 112 1HB LEU 112 0.157 5.781 7.771 709 HB3 LEU 112 2HB LEU 112 -0.550 7.010 8.809 710 HG LEU 112 HG LEU 112 -1.224 6.297 5.958 711 HD11 LEU 112 1HD1 LEU 112 -2.337 5.001 7.733 712 HD12 LEU 112 2HD1 LEU 112 -2.987 6.512 8.418 713 HD13 LEU 112 3HD1 LEU 112 -3.479 5.995 6.789 714 HD21 LEU 112 3HD2 LEU 112 -2.928 8.131 5.997 715 HD22 LEU 112 1HD2 LEU 112 -2.153 8.772 7.470 716 HD23 LEU 112 2HD2 LEU 112 -1.266 8.706 5.928 717 H GLY 113 H GLY 113 2.213 5.646 7.490 718 HA2 GLY 113 1HA GLY 113 4.327 6.503 9.393 719 HA3 GLY 113 2HA GLY 113 4.061 4.874 8.718 720 H ALA 114 H ALA 114 3.990 7.434 6.420 721 HA ALA 114 HA ALA 114 6.033 6.291 4.844 722 HB1 ALA 114 1HB ALA 114 4.151 7.497 3.911 723 HB2 ALA 114 2HB ALA 114 4.711 9.018 4.667 724 HB3 ALA 114 3HB ALA 114 5.669 8.243 3.388 725 H LYS 115 H LYS 115 8.151 6.445 4.881 726 HA LYS 115 HA LYS 115 9.523 8.301 6.693 727 HB2 LYS 115 1HB LYS 115 10.446 5.899 5.112 728 HB3 LYS 115 2HB LYS 115 11.471 6.855 6.195 729 HG2 LYS 115 1HG LYS 115 9.873 6.386 8.079 730 HG3 LYS 115 2HG LYS 115 8.945 5.326 6.991 731 HD2 LYS 115 1HD LYS 115 10.944 3.944 6.620 732 HD3 LYS 115 2HD LYS 115 11.874 4.999 7.716 733 HE2 LYS 115 1HE LYS 115 10.422 4.407 9.600 734 HE3 LYS 115 2HE LYS 115 9.339 3.505 8.526 735 HZ1 LYS 115 3HZ LYS 115 10.829 2.015 9.685 736 HZ2 LYS 115 1HZ LYS 115 11.101 1.958 8.075 737 HZ3 LYS 115 2HZ LYS 115 12.157 2.757 9.060 738 HA PRO 116 HA PRO 116 11.095 10.893 3.356 739 HB2 PRO 116 1HB PRO 116 13.116 12.214 4.603 740 HB3 PRO 116 2HB PRO 116 11.393 12.495 5.006 741 HG2 PRO 116 1HG PRO 116 13.375 10.712 6.453 742 HG3 PRO 116 2HG PRO 116 12.259 11.926 7.155 743 HD2 PRO 116 1HD PRO 116 11.667 9.250 7.053 744 HD3 PRO 116 2HD PRO 116 10.403 10.508 6.894 745 H ARG 117 H ARG 117 12.581 10.683 1.749 746 HA ARG 117 HA ARG 117 15.201 9.366 2.185 747 HB2 ARG 117 1HB ARG 117 13.232 8.427 0.068 748 HB3 ARG 117 2HB ARG 117 14.956 8.042 0.126 749 HG2 ARG 117 1HG ARG 117 14.502 7.090 2.497 750 HG3 ARG 117 2HG ARG 117 12.782 7.165 2.052 751 HD2 ARG 117 1HD ARG 117 13.389 5.836 -0.030 752 HD3 ARG 117 2HD ARG 117 15.025 5.669 0.648 753 HE ARG 117 HE ARG 117 12.909 4.821 2.475 754 HH11 ARG 117 1HH1 ARG 117 14.692 3.571 -0.336 755 HH12 ARG 117 2HH1 ARG 117 14.119 1.946 -0.016 756 HH21 ARG 117 1HH2 ARG 117 12.331 2.834 2.791 757 HH22 ARG 117 2HH2 ARG 117 12.871 1.498 1.805 758 H THR 118 H THR 118 16.701 10.659 1.333 759 HA THR 118 HA THR 118 16.025 12.941 -0.361 760 HB THR 118 HB THR 118 18.487 13.440 -0.096 761 HG1 THR 118 1HG THR 118 19.595 12.120 1.383 762 HG21 THR 118 3HG2 THR 118 18.335 14.014 2.276 763 HG22 THR 118 1HG2 THR 118 16.785 14.333 1.482 764 HG23 THR 118 2HG2 THR 118 16.976 12.892 2.504 765 H ASN 119 H ASN 119 16.809 9.768 -1.152 766 HA ASN 119 HA ASN 119 18.610 10.113 -3.294 767 HB2 ASN 119 1HB ASN 119 16.575 7.888 -2.863 768 HB3 ASN 119 2HB ASN 119 18.033 7.792 -3.849 769 HD21 ASN 119 2HD2 ASN 119 20.124 7.638 -2.776 770 HD22 ASN 119 1HD2 ASN 119 20.210 7.254 -1.067 771 H VAL 120 H VAL 120 15.290 10.911 -3.279 772 HA VAL 120 HA VAL 120 15.262 11.393 -6.207 773 HB VAL 120 HB VAL 120 12.979 9.983 -4.746 774 HG11 VAL 120 1HG1 VAL 120 12.121 11.537 -6.458 775 HG12 VAL 120 2HG1 VAL 120 13.243 10.861 -7.661 776 HG13 VAL 120 3HG1 VAL 120 11.922 9.871 -7.002 777 HG21 VAL 120 3HG2 VAL 120 13.382 8.105 -6.326 778 HG22 VAL 120 1HG2 VAL 120 14.839 8.928 -6.922 779 HG23 VAL 120 2HG2 VAL 120 14.746 8.356 -5.238 780 H GLN 121 H GLN 121 14.609 13.405 -6.574 781 HA GLN 121 HA GLN 121 12.915 14.940 -4.682 782 HB2 GLN 121 1HB GLN 121 15.764 15.710 -5.459 783 HB3 GLN 121 2HB GLN 121 14.602 16.779 -4.671 784 HG2 GLN 121 1HG GLN 121 14.517 15.249 -2.706 785 HG3 GLN 121 2HG GLN 121 15.693 14.192 -3.490 786 HE21 GLN 121 2HE2 GLN 121 17.661 14.412 -2.483 787 HE22 GLN 121 1HE2 GLN 121 18.351 15.971 -2.014 788 H5' G 7 H5' G 7 3.133 -11.865 12.682 789 H5'' G 7 H5" G 7 3.927 -10.432 12.041 790 H4' G 7 H4' G 7 5.427 -12.307 13.017 791 H3' G 7 H3' G 7 5.822 -10.815 10.467 792 H2' G 7 H2' G 7 7.235 -12.373 9.509 793 HO2' G 7 2HO G 7 8.535 -12.124 11.692 794 H1' G 7 H1' G 7 6.696 -14.623 11.211 795 H8 G 7 8H G 7 6.452 -16.459 9.559 796 H1 G 7 1H G 7 3.811 -12.653 5.074 797 H21 G 7 1H2 G 7 3.540 -10.679 5.851 798 H22 G 7 2H2 G 7 3.998 -10.260 7.507 799 HO5' G 7 H5T G 7 3.795 -11.742 9.911 800 H5' U 8 H5' U 8 6.796 -8.802 9.871 801 H5'' U 8 H5" U 8 7.974 -8.023 10.933 802 H4' U 8 H4' U 8 7.199 -6.400 9.377 803 H3' U 8 H3' U 8 7.131 -5.942 12.092 804 H2' U 8 H2' U 8 4.838 -6.435 12.354 805 HO2' U 8 2HO U 8 5.202 -3.673 12.063 806 H1' U 8 H1' U 8 4.212 -4.934 9.816 807 H3 U 8 3H U 8 -0.119 -5.780 11.212 808 H5 U 8 5H U 8 1.722 -9.527 11.521 809 H6 U 8 6H U 8 3.829 -8.511 10.785 810 H5' G 9 H5' G 9 9.902 -3.999 10.408 811 H5'' G 9 H5" G 9 10.472 -2.407 9.927 812 H4' G 9 H4' G 9 10.366 -3.700 7.968 813 H3' G 9 H3' G 9 7.924 -1.927 8.066 814 H2' G 9 H2' G 9 7.599 -2.621 5.770 815 HO2' G 9 2HO G 9 10.101 -2.520 5.514 816 H1' G 9 H1' G 9 8.450 -5.243 6.245 817 H8 G 9 8H G 9 6.345 -6.546 5.790 818 H1 G 9 1H G 9 2.478 -2.099 8.376 819 H21 G 9 1H2 G 9 3.769 -0.428 9.232 820 H22 G 9 2H2 G 9 5.513 -0.533 9.063 821 H5' U 10 H5' U 10 7.847 -0.978 4.398 822 H5'' U 10 H5" U 10 9.455 -0.260 4.500 823 H4' U 10 H4' U 10 8.247 0.646 2.631 824 H3' U 10 H3' U 10 9.520 2.285 4.482 825 H2' U 10 H2' U 10 7.507 2.892 5.579 826 HO2' U 10 2HO U 10 8.042 4.774 3.531 827 H1' U 10 H1' U 10 6.155 3.066 2.871 828 H3 U 10 3H U 10 2.222 4.487 4.715 829 H5 U 10 5H U 10 3.784 1.981 7.679 830 H6 U 10 6H U 10 5.701 1.498 6.236 831 H5' G 11 H5' G 11 10.247 3.735 -1.175 832 H5'' G 11 H5" G 11 8.800 3.835 -0.174 833 H4' G 11 H4' G 11 9.884 1.458 0.735 834 H3' G 11 H3' G 11 11.466 1.807 -1.480 835 H2' G 11 H2' G 11 9.777 2.102 -3.012 836 HO2' G 11 2HO G 11 9.269 0.109 -4.120 837 H1' G 11 H1' G 11 7.905 0.000 -1.854 838 H8 G 11 8H G 11 6.752 3.427 -1.476 839 H1 G 11 1H G 11 5.899 1.541 -7.578 840 H21 G 11 1H2 G 11 7.101 -0.342 -7.919 841 H22 G 11 2H2 G 11 7.987 -1.054 -6.583 842 H5' C 12 H5' C 12 13.361 -1.664 -2.064 843 H5'' C 12 H5" C 12 12.022 -2.789 -1.934 844 H4' C 12 H4' C 12 13.388 -4.525 -1.083 845 H3' C 12 H3' C 12 14.708 -2.786 0.532 846 HO3' C 12 H3T C 12 16.147 -4.949 -0.663 847 H2' C 12 H2' C 12 15.612 -1.441 -1.151 848 HO2' C 12 2HO C 12 17.884 -2.002 -1.364 849 H1' C 12 H1' C 12 16.633 -3.734 -2.779 850 H41 C 12 1H4 C 12 16.897 1.385 -6.539 851 H42 C 12 2H4 C 12 15.261 1.050 -7.109 852 H5 C 12 5H C 12 13.890 -0.682 -6.094 853 H6 C 12 6H C 12 13.820 -2.383 -4.368 Start of MODEL 2 1 H1 GLY 19 1H GLY 19 -26.630 13.572 -9.636 2 H2 GLY 19 2H GLY 19 -26.101 14.934 -10.372 3 H3 GLY 19 3H GLY 19 -25.343 13.508 -10.649 4 HA2 GLY 19 1HA GLY 19 -24.584 13.379 -8.377 5 HA3 GLY 19 2HA GLY 19 -24.023 14.865 -9.166 6 H SER 20 H SER 20 -23.781 15.679 -6.950 7 HA SER 20 HA SER 20 -26.038 17.272 -6.073 8 HB2 SER 20 1HB SER 20 -26.518 14.997 -5.041 9 HB3 SER 20 2HB SER 20 -25.021 15.184 -4.112 10 HG SER 20 HG SER 20 -26.925 15.911 -2.978 11 H THR 21 H THR 21 -25.403 18.556 -4.069 12 HA THR 21 HA THR 21 -22.904 19.890 -4.584 13 HB THR 21 HB THR 21 -24.818 20.218 -2.239 14 HG1 THR 21 1HG THR 21 -25.720 21.818 -3.581 15 HG21 THR 21 3HG2 THR 21 -23.928 22.550 -2.215 16 HG22 THR 21 1HG2 THR 21 -22.663 21.371 -1.858 17 HG23 THR 21 2HG2 THR 21 -22.752 22.110 -3.473 18 H ASN 22 H ASN 22 -20.964 19.527 -3.790 19 HA ASN 22 HA ASN 22 -20.422 18.482 -1.134 20 HB2 ASN 22 1HB ASN 22 -20.964 16.386 -2.384 21 HB3 ASN 22 2HB ASN 22 -19.752 16.805 -3.592 22 HD21 ASN 22 2HD2 ASN 22 -18.272 15.107 -3.261 23 HD22 ASN 22 1HD2 ASN 22 -17.458 14.848 -1.728 24 H ALA 23 H ALA 23 -18.253 18.816 -0.509 25 HA ALA 23 HA ALA 23 -16.751 20.825 -1.991 26 HB1 ALA 23 1HB ALA 23 -16.879 20.834 0.466 27 HB2 ALA 23 2HB ALA 23 -16.092 19.240 0.534 28 HB3 ALA 23 3HB ALA 23 -15.200 20.649 -0.075 29 H GLU 24 H GLU 24 -15.536 20.366 -3.697 30 HA GLU 24 HA GLU 24 -13.587 18.208 -3.764 31 HB2 GLU 24 1HB GLU 24 -15.714 17.054 -4.382 32 HB3 GLU 24 2HB GLU 24 -15.930 18.193 -5.712 33 HG2 GLU 24 1HG GLU 24 -13.785 17.372 -6.718 34 HG3 GLU 24 2HG GLU 24 -13.611 16.235 -5.378 35 HA PRO 25 HA PRO 25 -11.761 21.550 -6.174 36 HB2 PRO 25 1HB PRO 25 -10.050 19.353 -7.348 37 HB3 PRO 25 2HB PRO 25 -9.551 20.942 -6.686 38 HG2 PRO 25 1HG PRO 25 -9.256 18.707 -5.204 39 HG3 PRO 25 2HG PRO 25 -9.926 20.192 -4.441 40 HD2 PRO 25 1HD PRO 25 -11.430 17.786 -5.517 41 HD3 PRO 25 2HD PRO 25 -11.614 18.648 -3.958 42 H VAL 26 H VAL 26 -14.069 20.056 -7.573 43 HA VAL 26 HA VAL 26 -14.944 19.545 -9.604 44 HB VAL 26 HB VAL 26 -13.511 22.020 -10.650 45 HG11 VAL 26 1HG1 VAL 26 -15.059 20.815 -12.230 46 HG12 VAL 26 2HG1 VAL 26 -16.354 20.941 -11.029 47 HG13 VAL 26 3HG1 VAL 26 -15.683 22.402 -11.782 48 HG21 VAL 26 3HG2 VAL 26 -15.348 23.370 -9.633 49 HG22 VAL 26 1HG2 VAL 26 -15.878 21.937 -8.725 50 HG23 VAL 26 2HG2 VAL 26 -14.286 22.668 -8.418 51 H VAL 27 H VAL 27 -12.853 17.960 -9.231 52 HA VAL 27 HA VAL 27 -11.202 16.683 -9.947 53 HB VAL 27 HB VAL 27 -11.291 15.647 -12.102 54 HG11 VAL 27 1HG1 VAL 27 -12.873 14.973 -10.344 55 HG12 VAL 27 2HG1 VAL 27 -14.092 16.082 -11.012 56 HG13 VAL 27 3HG1 VAL 27 -13.517 14.704 -11.971 57 HG21 VAL 27 3HG2 VAL 27 -12.773 16.192 -13.890 58 HG22 VAL 27 1HG2 VAL 27 -13.505 17.525 -12.991 59 HG23 VAL 27 2HG2 VAL 27 -11.818 17.643 -13.553 60 H GLY 28 H GLY 28 -10.739 19.716 -10.291 61 HA2 GLY 28 1HA GLY 28 -8.637 19.916 -12.303 62 HA3 GLY 28 2HA GLY 28 -9.159 21.161 -11.143 63 H SER 29 H SER 29 -8.568 18.708 -9.138 64 HA SER 29 HA SER 29 -5.607 18.887 -9.008 65 HB2 SER 29 1HB SER 29 -7.427 19.703 -6.711 66 HB3 SER 29 2HB SER 29 -5.678 19.470 -6.610 67 HG SER 29 HG SER 29 -6.233 21.687 -6.882 68 H ARG 30 H ARG 30 -4.687 17.067 -8.267 69 HA ARG 30 HA ARG 30 -5.984 15.048 -6.640 70 HB2 ARG 30 1HB ARG 30 -7.062 14.688 -8.857 71 HB3 ARG 30 2HB ARG 30 -5.477 14.453 -9.592 72 HG2 ARG 30 1HG ARG 30 -5.093 12.435 -8.314 73 HG3 ARG 30 2HG ARG 30 -6.504 12.729 -7.286 74 HD2 ARG 30 1HD ARG 30 -6.662 12.257 -10.293 75 HD3 ARG 30 2HD ARG 30 -6.800 10.979 -9.072 76 HE ARG 30 HE ARG 30 -8.641 13.131 -8.522 77 HH11 ARG 30 1HH1 ARG 30 -8.324 10.363 -10.745 78 HH12 ARG 30 2HH1 ARG 30 -10.062 10.129 -10.756 79 HH21 ARG 30 1HH2 ARG 30 -10.879 12.700 -8.673 80 HH22 ARG 30 2HH2 ARG 30 -11.394 11.315 -9.619 81 H ASP 31 H ASP 31 -4.493 13.526 -5.884 82 HA ASP 31 HA ASP 31 -1.691 13.510 -6.728 83 HB2 ASP 31 1HB ASP 31 -1.824 15.588 -5.420 84 HB3 ASP 31 2HB ASP 31 -2.535 14.700 -4.062 85 H THR 32 H THR 32 -0.400 12.049 -5.497 86 HA THR 32 HA THR 32 -1.589 9.499 -5.203 87 HB THR 32 HB THR 32 0.655 8.764 -4.621 88 HG1 THR 32 1HG THR 32 2.272 10.354 -4.301 89 HG21 THR 32 3HG2 THR 32 1.856 9.580 -6.581 90 HG22 THR 32 1HG2 THR 32 0.140 9.430 -7.008 91 HG23 THR 32 2HG2 THR 32 0.833 11.032 -6.672 92 H MET 33 H MET 33 -0.986 11.976 -2.775 93 HA MET 33 HA MET 33 -1.243 10.472 -0.399 94 HB2 MET 33 1HB MET 33 -0.727 12.894 -0.599 95 HB3 MET 33 2HB MET 33 -2.403 13.216 -1.062 96 HG2 MET 33 1HG MET 33 -3.191 12.440 1.118 97 HG3 MET 33 2HG MET 33 -1.566 11.952 1.577 98 HE1 MET 33 3HE MET 33 0.272 15.219 2.374 99 HE2 MET 33 1HE MET 33 0.246 13.449 2.499 100 HE3 MET 33 2HE MET 33 0.398 14.230 0.908 101 H PHE 34 H PHE 34 -3.655 10.993 -2.861 102 HA PHE 34 HA PHE 34 -5.819 9.941 -1.092 103 HB2 PHE 34 1HB PHE 34 -6.156 11.495 -3.655 104 HB3 PHE 34 2HB PHE 34 -7.346 11.197 -2.390 105 HD1 PHE 34 2HD PHE 34 -6.079 12.033 0.095 106 HD2 PHE 34 1HD PHE 34 -5.782 13.772 -3.841 107 HE1 PHE 34 2HE PHE 34 -5.480 14.221 1.103 108 HE2 PHE 34 1HE PHE 34 -5.175 15.958 -2.828 109 HZ PHE 34 HZ PHE 34 -5.022 16.183 -0.355 110 H THR 35 H THR 35 -3.780 8.758 -3.452 111 HA THR 35 HA THR 35 -5.801 6.764 -4.387 112 HB THR 35 HB THR 35 -4.905 6.896 -6.668 113 HG1 THR 35 1HG THR 35 -3.639 8.710 -7.199 114 HG21 THR 35 3HG2 THR 35 -6.066 8.873 -7.396 115 HG22 THR 35 1HG2 THR 35 -6.966 8.174 -6.042 116 HG23 THR 35 2HG2 THR 35 -5.951 9.615 -5.787 117 H LYS 36 H LYS 36 -2.442 7.369 -3.550 118 HA LYS 36 HA LYS 36 -1.637 4.643 -4.354 119 HB2 LYS 36 1HB LYS 36 -0.129 6.508 -4.784 120 HB3 LYS 36 2HB LYS 36 -0.097 6.919 -3.058 121 HG2 LYS 36 1HG LYS 36 0.974 4.787 -2.518 122 HG3 LYS 36 2HG LYS 36 0.870 4.267 -4.211 123 HD2 LYS 36 1HD LYS 36 2.367 6.086 -4.898 124 HD3 LYS 36 2HD LYS 36 2.395 6.729 -3.240 125 HE2 LYS 36 1HE LYS 36 3.418 4.626 -2.428 126 HE3 LYS 36 2HE LYS 36 3.382 3.955 -4.063 127 HZ1 LYS 36 3HZ LYS 36 5.546 4.882 -3.453 128 HZ2 LYS 36 1HZ LYS 36 4.932 5.644 -4.758 129 HZ3 LYS 36 2HZ LYS 36 4.907 6.381 -3.286 130 H ILE 37 H ILE 37 -1.729 2.970 -3.070 131 HA ILE 37 HA ILE 37 -2.315 3.270 -0.145 132 HB ILE 37 HB ILE 37 -3.256 1.070 -2.027 133 HG12 ILE 37 1HG1 ILE 37 -4.891 3.472 -1.093 134 HG13 ILE 37 2HG1 ILE 37 -4.266 3.265 -2.730 135 HG21 ILE 37 1HG2 ILE 37 -3.101 0.583 0.442 136 HG22 ILE 37 2HG2 ILE 37 -4.253 1.901 0.726 137 HG23 ILE 37 3HG2 ILE 37 -4.733 0.466 -0.200 138 HD11 ILE 37 3HD1 ILE 37 -6.550 2.639 -2.757 139 HD12 ILE 37 1HD1 ILE 37 -5.586 1.168 -2.973 140 HD13 ILE 37 2HD1 ILE 37 -6.348 1.519 -1.399 141 H PHE 38 H PHE 38 -0.854 2.449 1.145 142 HA PHE 38 HA PHE 38 1.216 0.512 0.288 143 HB2 PHE 38 1HB PHE 38 2.010 2.284 1.704 144 HB3 PHE 38 2HB PHE 38 0.642 2.141 2.785 145 HD1 PHE 38 2HD PHE 38 3.968 0.618 1.880 146 HD2 PHE 38 1HD PHE 38 0.512 0.481 4.505 147 HE1 PHE 38 2HE PHE 38 5.193 -0.776 3.494 148 HE2 PHE 38 1HE PHE 38 1.738 -1.062 6.016 149 HZ PHE 38 HZ PHE 38 4.094 -1.713 5.469 150 H VAL 39 H VAL 39 1.137 -1.623 0.848 151 HA VAL 39 HA VAL 39 -1.057 -2.601 2.620 152 HB VAL 39 HB VAL 39 -0.480 -3.820 -0.111 153 HG11 VAL 39 1HG1 VAL 39 -1.159 -5.529 1.447 154 HG12 VAL 39 2HG1 VAL 39 -2.388 -4.497 2.173 155 HG13 VAL 39 3HG1 VAL 39 -2.614 -5.119 0.531 156 HG21 VAL 39 3HG2 VAL 39 -2.705 -3.080 -0.766 157 HG22 VAL 39 1HG2 VAL 39 -2.897 -2.200 0.772 158 HG23 VAL 39 2HG2 VAL 39 -1.678 -1.699 -0.423 159 H GLY 40 H GLY 40 0.342 -3.150 4.251 160 HA2 GLY 40 1HA GLY 40 2.451 -5.197 3.635 161 HA3 GLY 40 2HA GLY 40 2.516 -4.152 5.029 162 H GLY 41 H GLY 41 2.906 -6.417 5.864 163 HA2 GLY 41 1HA GLY 41 2.210 -8.210 7.143 164 HA3 GLY 41 2HA GLY 41 0.547 -7.567 7.107 165 H LEU 42 H LEU 42 2.124 -8.132 4.077 166 HA LEU 42 HA LEU 42 0.166 -10.141 3.269 167 HB2 LEU 42 1HB LEU 42 2.629 -8.959 1.899 168 HB3 LEU 42 2HB LEU 42 1.521 -10.081 1.126 169 HG LEU 42 HG LEU 42 0.749 -7.308 2.142 170 HD11 LEU 42 1HD1 LEU 42 2.292 -7.244 0.204 171 HD12 LEU 42 2HD1 LEU 42 1.211 -8.317 -0.702 172 HD13 LEU 42 3HD1 LEU 42 0.670 -6.690 -0.235 173 HD21 LEU 42 3HD2 LEU 42 -1.331 -7.738 0.764 174 HD22 LEU 42 1HD2 LEU 42 -0.809 -9.422 0.582 175 HD23 LEU 42 2HD2 LEU 42 -1.198 -8.768 2.189 176 HA PRO 43 HA PRO 43 2.860 -13.640 4.169 177 HB2 PRO 43 1HB PRO 43 1.764 -15.573 2.606 178 HB3 PRO 43 2HB PRO 43 1.000 -14.987 4.112 179 HG2 PRO 43 1HG PRO 43 0.332 -14.240 1.270 180 HG3 PRO 43 2HG PRO 43 -0.780 -14.561 2.633 181 HD2 PRO 43 1HD PRO 43 -0.016 -12.016 1.805 182 HD3 PRO 43 2HD PRO 43 -0.534 -12.394 3.458 183 H TYR 44 H TYR 44 4.755 -14.425 3.214 184 HA TYR 44 HA TYR 44 5.861 -12.806 1.209 185 HB2 TYR 44 1HB TYR 44 6.809 -15.490 2.263 186 HB3 TYR 44 2HB TYR 44 7.805 -14.378 1.346 187 HD1 TYR 44 1HD TYR 44 6.809 -11.757 2.840 188 HD2 TYR 44 2HD TYR 44 8.280 -15.603 4.134 189 HE1 TYR 44 1HE TYR 44 7.712 -10.721 4.899 190 HE2 TYR 44 2HE TYR 44 9.186 -14.557 6.197 191 HH TYR 44 HH TYR 44 8.862 -11.043 6.857 192 H HIS 45 H HIS 45 3.910 -15.502 0.566 193 HA HIS 45 HA HIS 45 5.060 -16.024 -2.114 194 HB2 HIS 45 1HB HIS 45 3.385 -17.829 -2.201 195 HB3 HIS 45 2HB HIS 45 4.472 -17.941 -0.827 196 HD2 HIS 45 2HD HIS 45 3.092 -19.063 1.028 197 HE1 HIS 45 1HE HIS 45 -0.460 -16.733 0.836 198 HE2 HIS 45 2HE HIS 45 0.733 -18.594 2.095 199 H THR 46 H THR 46 3.044 -13.668 -0.965 200 HA THR 46 HA THR 46 1.042 -13.460 -3.062 201 HB THR 46 HB THR 46 2.232 -11.242 -1.334 202 HG1 THR 46 1HG THR 46 1.395 -12.764 -0.005 203 HG21 THR 46 3HG2 THR 46 0.048 -10.154 -1.637 204 HG22 THR 46 1HG2 THR 46 0.805 -10.398 -3.212 205 HG23 THR 46 2HG2 THR 46 -0.503 -11.477 -2.669 206 H SER 47 H SER 47 1.172 -12.508 -5.061 207 HA SER 47 HA SER 47 3.744 -11.174 -5.844 208 HB2 SER 47 1HB SER 47 3.384 -11.868 -8.084 209 HB3 SER 47 2HB SER 47 3.244 -13.303 -7.064 210 HG SER 47 HG SER 47 0.998 -13.203 -7.277 211 H ASP 48 H ASP 48 3.428 -9.551 -7.668 212 HA ASP 48 HA ASP 48 1.625 -7.448 -6.942 213 HB2 ASP 48 1HB ASP 48 2.392 -6.420 -9.006 214 HB3 ASP 48 2HB ASP 48 3.749 -7.085 -8.099 215 H LYS 49 H LYS 49 1.279 -10.228 -9.095 216 HA LYS 49 HA LYS 49 -1.220 -9.338 -10.317 217 HB2 LYS 49 1HB LYS 49 0.295 -10.904 -11.440 218 HB3 LYS 49 2HB LYS 49 0.123 -12.070 -10.122 219 HG2 LYS 49 1HG LYS 49 -2.268 -12.322 -10.618 220 HG3 LYS 49 2HG LYS 49 -2.157 -11.107 -11.907 221 HD2 LYS 49 1HD LYS 49 -0.559 -12.545 -13.128 222 HD3 LYS 49 2HD LYS 49 -0.630 -13.759 -11.845 223 HE2 LYS 49 1HE LYS 49 -3.024 -12.841 -13.510 224 HE3 LYS 49 2HE LYS 49 -2.041 -14.260 -13.880 225 HZ1 LYS 49 3HZ LYS 49 -3.995 -14.898 -12.641 226 HZ2 LYS 49 1HZ LYS 49 -2.684 -15.179 -11.707 227 HZ3 LYS 49 2HZ LYS 49 -3.653 -13.889 -11.406 228 H THR 50 H THR 50 -0.363 -11.533 -7.599 229 HA THR 50 HA THR 50 -2.974 -12.323 -6.806 230 HB THR 50 HB THR 50 -0.699 -11.714 -4.890 231 HG1 THR 50 1HG THR 50 -1.081 -14.097 -6.375 232 HG21 THR 50 3HG2 THR 50 -1.571 -13.704 -3.681 233 HG22 THR 50 1HG2 THR 50 -2.777 -12.414 -3.788 234 HG23 THR 50 2HG2 THR 50 -2.898 -13.827 -4.857 235 H LEU 51 H LEU 51 -1.050 -9.475 -5.808 236 HA LEU 51 HA LEU 51 -3.093 -8.472 -4.061 237 HB2 LEU 51 1HB LEU 51 -0.601 -8.083 -3.878 238 HB3 LEU 51 2HB LEU 51 -0.685 -7.090 -5.326 239 HG LEU 51 HG LEU 51 -2.254 -5.529 -4.088 240 HD11 LEU 51 1HD1 LEU 51 -3.100 -7.046 -2.351 241 HD12 LEU 51 2HD1 LEU 51 -1.458 -7.240 -1.692 242 HD13 LEU 51 3HD1 LEU 51 -2.277 -5.665 -1.620 243 HD21 LEU 51 3HD2 LEU 51 -0.439 -4.507 -2.732 244 HD22 LEU 51 1HD2 LEU 51 0.509 -5.998 -2.888 245 HD23 LEU 51 2HD2 LEU 51 0.125 -5.026 -4.330 246 H HIS 52 H HIS 52 -2.283 -7.665 -7.461 247 HA HIS 52 HA HIS 52 -4.188 -5.547 -7.748 248 HB2 HIS 52 1HB HIS 52 -2.402 -6.025 -9.369 249 HB3 HIS 52 2HB HIS 52 -3.118 -7.587 -9.745 250 HD2 HIS 52 2HD HIS 52 -3.273 -3.940 -10.720 251 HE1 HIS 52 1HE HIS 52 -6.432 -5.841 -12.844 252 HE2 HIS 52 2HE HIS 52 -5.052 -3.712 -12.640 253 H GLU 53 H GLU 53 -4.486 -9.074 -7.959 254 HA GLU 53 HA GLU 53 -7.235 -9.090 -8.879 255 HB2 GLU 53 1HB GLU 53 -5.328 -11.196 -7.836 256 HB3 GLU 53 2HB GLU 53 -7.041 -11.562 -8.105 257 HG2 GLU 53 1HG GLU 53 -6.805 -10.696 -10.463 258 HG3 GLU 53 2HG GLU 53 -5.066 -10.585 -10.203 259 H TYR 54 H TYR 54 -5.875 -8.612 -5.696 260 HA TYR 54 HA TYR 54 -8.485 -9.210 -4.422 261 HB2 TYR 54 1HB TYR 54 -6.337 -9.718 -3.242 262 HB3 TYR 54 2HB TYR 54 -6.011 -7.985 -3.161 263 HD1 TYR 54 1HD TYR 54 -8.354 -10.692 -2.134 264 HD2 TYR 54 2HD TYR 54 -7.232 -6.567 -1.568 265 HE1 TYR 54 1HE TYR 54 -9.995 -10.503 -0.273 266 HE2 TYR 54 2HE TYR 54 -8.868 -6.371 0.288 267 HH TYR 54 HH TYR 54 -10.573 -7.418 1.457 268 H PHE 55 H PHE 55 -6.490 -6.336 -5.267 269 HA PHE 55 HA PHE 55 -8.427 -4.541 -4.081 270 HB2 PHE 55 1HB PHE 55 -5.812 -4.198 -5.521 271 HB3 PHE 55 2HB PHE 55 -6.874 -2.812 -5.316 272 HD1 PHE 55 1HD PHE 55 -5.282 -5.583 -3.310 273 HD2 PHE 55 2HD PHE 55 -6.884 -1.577 -3.326 274 HE1 PHE 55 1HE PHE 55 -4.640 -5.315 -0.938 275 HE2 PHE 55 2HE PHE 55 -6.230 -1.316 -0.945 276 HZ PHE 55 HZ PHE 55 -5.141 -3.196 0.256 277 H GLU 56 H GLU 56 -8.249 -5.858 -7.306 278 HA GLU 56 HA GLU 56 -9.614 -3.718 -8.582 279 HB2 GLU 56 1HB GLU 56 -9.956 -5.223 -10.448 280 HB3 GLU 56 2HB GLU 56 -8.326 -5.287 -9.817 281 HG2 GLU 56 1HG GLU 56 -8.727 -7.497 -10.217 282 HG3 GLU 56 2HG GLU 56 -9.088 -7.398 -8.503 283 H GLN 57 H GLN 57 -10.932 -5.811 -6.252 284 HA GLN 57 HA GLN 57 -13.693 -5.686 -7.140 285 HB2 GLN 57 1HB GLN 57 -14.250 -6.626 -5.061 286 HB3 GLN 57 2HB GLN 57 -12.700 -7.351 -5.483 287 HG2 GLN 57 1HG GLN 57 -11.601 -5.597 -3.963 288 HG3 GLN 57 2HG GLN 57 -13.220 -5.118 -3.467 289 HE21 GLN 57 2HE2 GLN 57 -10.671 -7.383 -2.918 290 HE22 GLN 57 1HE2 GLN 57 -11.542 -8.360 -1.738 291 H PHE 58 H PHE 58 -11.551 -3.355 -5.701 292 HA PHE 58 HA PHE 58 -13.731 -1.684 -4.612 293 HB2 PHE 58 1HB PHE 58 -10.739 -1.183 -4.678 294 HB3 PHE 58 2HB PHE 58 -11.928 -0.355 -3.693 295 HD1 PHE 58 2HD PHE 58 -13.490 -2.276 -2.302 296 HD2 PHE 58 1HD PHE 58 -9.332 -2.534 -3.406 297 HE1 PHE 58 2HE PHE 58 -13.095 -3.878 -0.452 298 HE2 PHE 58 1HE PHE 58 -8.940 -4.145 -1.560 299 HZ PHE 58 HZ PHE 58 -10.825 -4.822 -0.082 300 H GLY 59 H GLY 59 -12.009 -1.994 -7.563 301 HA2 GLY 59 1HA GLY 59 -13.203 -0.593 -9.358 302 HA3 GLY 59 2HA GLY 59 -12.610 0.797 -8.448 303 H ASP 60 H ASP 60 -11.651 1.259 -10.541 304 HA ASP 60 HA ASP 60 -9.745 -0.344 -11.864 305 HB2 ASP 60 1HB ASP 60 -10.394 2.624 -11.884 306 HB3 ASP 60 2HB ASP 60 -9.074 1.932 -12.818 307 H ILE 61 H ILE 61 -7.629 -0.579 -11.820 308 HA ILE 61 HA ILE 61 -5.961 0.799 -9.742 309 HB ILE 61 HB ILE 61 -5.673 -1.941 -11.013 310 HG12 ILE 61 1HG1 ILE 61 -6.234 -1.210 -8.104 311 HG13 ILE 61 2HG1 ILE 61 -7.499 -1.689 -9.231 312 HG21 ILE 61 1HG2 ILE 61 -3.470 -0.970 -10.596 313 HG22 ILE 61 2HG2 ILE 61 -3.955 -0.478 -8.954 314 HG23 ILE 61 3HG2 ILE 61 -3.764 -2.182 -9.373 315 HD11 ILE 61 3HD1 ILE 61 -6.866 -3.574 -7.877 316 HD12 ILE 61 1HD1 ILE 61 -6.418 -3.892 -9.554 317 HD13 ILE 61 2HD1 ILE 61 -5.181 -3.453 -8.346 318 H GLU 62 H GLU 62 -4.282 2.016 -10.398 319 HA GLU 62 HA GLU 62 -3.617 2.486 -13.218 320 HB2 GLU 62 1HB GLU 62 -2.464 3.409 -10.556 321 HB3 GLU 62 2HB GLU 62 -1.680 3.787 -12.072 322 HG2 GLU 62 1HG GLU 62 -4.533 4.525 -11.432 323 HG3 GLU 62 2HG GLU 62 -3.165 5.556 -11.040 324 H GLU 63 H GLU 63 -2.063 1.033 -10.337 325 HA GLU 63 HA GLU 63 -0.467 -0.891 -11.780 326 HB2 GLU 63 1HB GLU 63 0.813 1.211 -12.220 327 HB3 GLU 63 2HB GLU 63 0.924 1.503 -10.483 328 HG2 GLU 63 1HG GLU 63 2.305 -0.492 -10.194 329 HG3 GLU 63 2HG GLU 63 2.028 -0.976 -11.872 330 H ALA 64 H ALA 64 0.441 -2.400 -10.336 331 HA ALA 64 HA ALA 64 0.184 -1.979 -7.421 332 HB1 ALA 64 1HB ALA 64 -1.874 -3.184 -8.143 333 HB2 ALA 64 2HB ALA 64 -0.862 -4.420 -8.922 334 HB3 ALA 64 3HB ALA 64 -0.827 -4.226 -7.159 335 H VAL 65 H VAL 65 1.675 -3.166 -6.215 336 HA VAL 65 HA VAL 65 3.696 -4.868 -7.553 337 HB VAL 65 HB VAL 65 5.592 -3.593 -6.652 338 HG11 VAL 65 1HG1 VAL 65 4.931 -3.275 -9.017 339 HG12 VAL 65 2HG1 VAL 65 3.981 -1.844 -8.541 340 HG13 VAL 65 3HG1 VAL 65 5.738 -1.864 -8.317 341 HG21 VAL 65 3HG2 VAL 65 5.380 -1.257 -5.937 342 HG22 VAL 65 1HG2 VAL 65 3.612 -1.358 -6.051 343 HG23 VAL 65 2HG2 VAL 65 4.500 -2.322 -4.844 344 H VAL 66 H VAL 66 5.103 -5.951 -6.081 345 HA VAL 66 HA VAL 66 4.471 -5.798 -3.180 346 HB VAL 66 HB VAL 66 4.799 -8.383 -4.756 347 HG11 VAL 66 1HG1 VAL 66 6.058 -8.572 -2.632 348 HG12 VAL 66 2HG1 VAL 66 4.652 -7.965 -1.730 349 HG13 VAL 66 3HG1 VAL 66 4.581 -9.531 -2.553 350 HG21 VAL 66 3HG2 VAL 66 2.588 -8.932 -3.767 351 HG22 VAL 66 1HG2 VAL 66 2.532 -7.340 -2.987 352 HG23 VAL 66 2HG2 VAL 66 2.484 -7.471 -4.756 353 H ILE 67 H ILE 67 6.275 -5.851 -1.895 354 HA ILE 67 HA ILE 67 8.712 -5.068 -3.329 355 HB ILE 67 HB ILE 67 8.141 -4.912 -0.369 356 HG12 ILE 67 1HG1 ILE 67 6.449 -3.547 -1.276 357 HG13 ILE 67 2HG1 ILE 67 7.735 -2.468 -0.815 358 HG21 ILE 67 1HG2 ILE 67 10.501 -4.705 -0.884 359 HG22 ILE 67 2HG2 ILE 67 10.196 -3.450 -2.116 360 HG23 ILE 67 3HG2 ILE 67 9.879 -3.138 -0.403 361 HD11 ILE 67 3HD1 ILE 67 6.839 -1.674 -2.850 362 HD12 ILE 67 1HD1 ILE 67 8.448 -2.316 -3.217 363 HD13 ILE 67 2HD1 ILE 67 6.999 -3.254 -3.647 364 H THR 68 H THR 68 9.643 -6.757 -4.115 365 HA THR 68 HA THR 68 10.717 -8.969 -2.473 366 HB THR 68 HB THR 68 10.614 -10.273 -4.714 367 HG1 THR 68 1HG THR 68 8.879 -9.684 -6.029 368 HG21 THR 68 3HG2 THR 68 8.287 -11.062 -4.213 369 HG22 THR 68 1HG2 THR 68 9.337 -10.982 -2.797 370 HG23 THR 68 2HG2 THR 68 8.115 -9.717 -3.061 371 H ASP 69 H ASP 69 12.787 -8.787 -2.378 372 HA ASP 69 HA ASP 69 14.278 -6.740 -3.072 373 HB2 ASP 69 1HB ASP 69 14.837 -8.745 -1.634 374 HB3 ASP 69 2HB ASP 69 15.500 -9.498 -3.082 375 H ARG 70 H ARG 70 15.467 -5.742 -4.610 376 HA ARG 70 HA ARG 70 15.062 -6.270 -7.315 377 HB2 ARG 70 1HB ARG 70 17.225 -4.680 -5.931 378 HB3 ARG 70 2HB ARG 70 17.117 -4.803 -7.687 379 HG2 ARG 70 1HG ARG 70 14.847 -3.903 -7.702 380 HG3 ARG 70 2HG ARG 70 14.829 -3.849 -5.942 381 HD2 ARG 70 1HD ARG 70 15.253 -1.612 -6.786 382 HD3 ARG 70 2HD ARG 70 16.681 -2.206 -5.949 383 HE ARG 70 HE ARG 70 17.885 -2.148 -7.914 384 HH11 ARG 70 1HH1 ARG 70 14.478 -1.805 -8.824 385 HH12 ARG 70 2HH1 ARG 70 14.871 -1.406 -10.470 386 HH21 ARG 70 1HH2 ARG 70 18.311 -1.646 -10.047 387 HH22 ARG 70 2HH2 ARG 70 17.007 -1.322 -11.148 388 H ASN 71 H ASN 71 17.434 -7.700 -5.166 389 HA ASN 71 HA ASN 71 19.137 -8.758 -7.368 390 HB2 ASN 71 1HB ASN 71 19.690 -8.807 -4.381 391 HB3 ASN 71 2HB ASN 71 20.827 -9.036 -5.699 392 HD21 ASN 71 2HD2 ASN 71 18.990 -6.693 -3.819 393 HD22 ASN 71 1HD2 ASN 71 19.871 -5.273 -4.394 394 H THR 72 H THR 72 17.421 -9.867 -4.410 395 HA THR 72 HA THR 72 17.796 -12.726 -5.204 396 HB THR 72 HB THR 72 17.295 -13.086 -2.702 397 HG1 THR 72 1HG THR 72 17.826 -11.166 -1.491 398 HG21 THR 72 3HG2 THR 72 19.588 -12.523 -2.045 399 HG22 THR 72 1HG2 THR 72 19.597 -13.179 -3.690 400 HG23 THR 72 2HG2 THR 72 19.761 -11.427 -3.432 401 H GLN 73 H GLN 73 15.285 -10.447 -5.083 402 HA GLN 73 HA GLN 73 13.042 -10.531 -5.190 403 HB2 GLN 73 1HB GLN 73 13.593 -13.312 -6.290 404 HB3 GLN 73 2HB GLN 73 12.021 -12.533 -6.341 405 HG2 GLN 73 1HG GLN 73 14.480 -11.215 -7.574 406 HG3 GLN 73 2HG GLN 73 13.479 -12.374 -8.439 407 HE21 GLN 73 2HE2 GLN 73 13.480 -9.074 -7.009 408 HE22 GLN 73 1HE2 GLN 73 11.987 -8.606 -7.791 409 H LYS 74 H LYS 74 14.434 -11.640 -2.651 410 HA LYS 74 HA LYS 74 12.363 -13.253 -1.422 411 HB2 LYS 74 1HB LYS 74 13.707 -13.064 0.584 412 HB3 LYS 74 2HB LYS 74 14.684 -13.454 -0.805 413 HG2 LYS 74 1HG LYS 74 16.040 -11.947 0.199 414 HG3 LYS 74 2HG LYS 74 15.178 -10.884 -0.908 415 HD2 LYS 74 1HD LYS 74 13.647 -10.254 1.014 416 HD3 LYS 74 2HD LYS 74 14.642 -11.234 2.082 417 HE2 LYS 74 1HE LYS 74 15.714 -8.931 0.378 418 HE3 LYS 74 2HE LYS 74 15.092 -8.706 2.010 419 HZ1 LYS 74 3HZ LYS 74 17.496 -8.980 2.023 420 HZ2 LYS 74 1HZ LYS 74 16.809 -10.227 2.820 421 HZ3 LYS 74 2HZ LYS 74 17.397 -10.443 1.308 422 H SER 75 H SER 75 10.624 -12.603 -0.168 423 HA SER 75 HA SER 75 9.674 -9.884 -0.682 424 HB2 SER 75 1HB SER 75 8.165 -11.800 -0.833 425 HB3 SER 75 2HB SER 75 8.396 -12.130 0.895 426 HG SER 75 HG SER 75 6.510 -10.714 0.092 427 H ARG 76 H ARG 76 9.318 -8.236 0.642 428 HA ARG 76 HA ARG 76 10.477 -8.251 3.377 429 HB2 ARG 76 1HB ARG 76 9.562 -5.995 1.571 430 HB3 ARG 76 2HB ARG 76 10.178 -5.813 3.228 431 HG2 ARG 76 1HG ARG 76 12.254 -7.086 2.520 432 HG3 ARG 76 2HG ARG 76 11.693 -6.965 0.844 433 HD2 ARG 76 1HD ARG 76 11.905 -4.579 0.846 434 HD3 ARG 76 2HD ARG 76 11.951 -4.528 2.610 435 HE ARG 76 HE ARG 76 14.193 -4.687 2.527 436 HH11 ARG 76 1HH1 ARG 76 13.161 -6.140 -0.576 437 HH12 ARG 76 2HH1 ARG 76 14.819 -6.648 -0.882 438 HH21 ARG 76 1HH2 ARG 76 16.260 -5.329 1.862 439 HH22 ARG 76 2HH2 ARG 76 16.430 -6.126 0.310 440 H GLY 77 H GLY 77 7.528 -9.094 2.159 441 HA2 GLY 77 1HA GLY 77 5.628 -9.664 3.380 442 HA3 GLY 77 2HA GLY 77 6.203 -8.694 4.758 443 H TYR 78 H TYR 78 6.188 -6.896 1.842 444 HA TYR 78 HA TYR 78 3.418 -6.009 2.059 445 HB2 TYR 78 1HB TYR 78 3.877 -3.783 2.686 446 HB3 TYR 78 2HB TYR 78 4.796 -4.756 3.812 447 HD1 TYR 78 2HD TYR 78 7.350 -5.029 3.353 448 HD2 TYR 78 1HD TYR 78 4.840 -2.106 1.427 449 HE1 TYR 78 2HE TYR 78 9.347 -3.618 2.893 450 HE2 TYR 78 1HE TYR 78 6.828 -0.669 1.030 451 HH TYR 78 HH TYR 78 10.113 -1.620 2.047 452 H GLY 79 H GLY 79 2.910 -4.213 0.620 453 HA2 GLY 79 1HA GLY 79 4.417 -3.892 -1.899 454 HA3 GLY 79 2HA GLY 79 2.873 -4.722 -1.978 455 H PHE 80 H PHE 80 2.623 -2.820 -3.440 456 HA PHE 80 HA PHE 80 1.074 -0.723 -2.060 457 HB2 PHE 80 1HB PHE 80 3.386 -0.245 -3.956 458 HB3 PHE 80 2HB PHE 80 2.038 0.862 -3.933 459 HD1 PHE 80 2HD PHE 80 4.920 -0.404 -1.953 460 HD2 PHE 80 1HD PHE 80 1.625 2.378 -2.128 461 HE1 PHE 80 2HE PHE 80 5.931 0.941 -0.124 462 HE2 PHE 80 1HE PHE 80 2.656 3.714 -0.306 463 HZ PHE 80 HZ PHE 80 4.819 2.999 0.684 464 H VAL 81 H VAL 81 -0.607 0.101 -3.224 465 HA VAL 81 HA VAL 81 -1.069 -0.807 -6.035 466 HB VAL 81 HB VAL 81 -3.282 -0.818 -3.933 467 HG11 VAL 81 1HG1 VAL 81 -4.031 -0.329 -6.256 468 HG12 VAL 81 2HG1 VAL 81 -3.221 -1.797 -6.827 469 HG13 VAL 81 3HG1 VAL 81 -4.603 -1.908 -5.722 470 HG21 VAL 81 3HG2 VAL 81 -3.327 -3.298 -4.228 471 HG22 VAL 81 1HG2 VAL 81 -1.812 -3.195 -5.147 472 HG23 VAL 81 2HG2 VAL 81 -1.863 -2.725 -3.430 473 H THR 82 H THR 82 -1.708 0.895 -7.312 474 HA THR 82 HA THR 82 -2.648 3.408 -5.951 475 HB THR 82 HB THR 82 -1.053 3.185 -8.524 476 HG1 THR 82 1HG THR 82 0.225 2.828 -6.733 477 HG21 THR 82 3HG2 THR 82 -0.893 5.659 -8.287 478 HG22 THR 82 1HG2 THR 82 -2.570 5.152 -8.528 479 HG23 THR 82 2HG2 THR 82 -2.006 5.603 -6.904 480 H MET 83 H MET 83 -4.595 4.079 -6.444 481 HA MET 83 HA MET 83 -6.190 2.537 -8.423 482 HB2 MET 83 1HB MET 83 -7.183 4.542 -6.380 483 HB3 MET 83 2HB MET 83 -8.098 3.322 -7.248 484 HG2 MET 83 1HG MET 83 -6.019 2.879 -5.084 485 HG3 MET 83 2HG MET 83 -7.751 2.661 -4.938 486 HE1 MET 83 3HE MET 83 -8.474 -0.576 -6.928 487 HE2 MET 83 1HE MET 83 -9.115 0.657 -5.811 488 HE3 MET 83 2HE MET 83 -8.628 1.109 -7.462 489 H LYS 84 H LYS 84 -7.392 3.459 -10.111 490 HA LYS 84 HA LYS 84 -6.198 5.789 -11.367 491 HB2 LYS 84 1HB LYS 84 -8.750 4.264 -11.957 492 HB3 LYS 84 2HB LYS 84 -8.113 5.563 -12.974 493 HG2 LYS 84 1HG LYS 84 -5.975 4.156 -13.218 494 HG3 LYS 84 2HG LYS 84 -6.891 2.841 -12.467 495 HD2 LYS 84 1HD LYS 84 -8.676 3.426 -14.350 496 HD3 LYS 84 2HD LYS 84 -7.325 4.230 -15.139 497 HE2 LYS 84 1HE LYS 84 -6.078 2.201 -15.348 498 HE3 LYS 84 2HE LYS 84 -7.052 1.378 -14.126 499 HZ1 LYS 84 3HZ LYS 84 -7.645 0.665 -16.367 500 HZ2 LYS 84 1HZ LYS 84 -8.924 1.363 -15.622 501 HZ3 LYS 84 2HZ LYS 84 -8.091 2.185 -16.780 502 H ASP 85 H ASP 85 -8.902 5.444 -9.182 503 HA ASP 85 HA ASP 85 -9.268 8.388 -9.211 504 HB2 ASP 85 1HB ASP 85 -11.005 7.202 -10.637 505 HB3 ASP 85 2HB ASP 85 -11.617 6.465 -9.154 506 H ARG 86 H ARG 86 -10.031 9.332 -7.391 507 HA ARG 86 HA ARG 86 -9.118 8.308 -4.888 508 HB2 ARG 86 1HB ARG 86 -10.994 10.615 -5.568 509 HB3 ARG 86 2HB ARG 86 -10.372 10.280 -3.947 510 HG2 ARG 86 1HG ARG 86 -8.056 10.565 -4.736 511 HG3 ARG 86 2HG ARG 86 -8.616 10.841 -6.381 512 HD2 ARG 86 1HD ARG 86 -8.044 12.945 -5.376 513 HD3 ARG 86 2HD ARG 86 -9.785 12.897 -5.674 514 HE ARG 86 HE ARG 86 -9.478 12.032 -3.044 515 HH11 ARG 86 1HH2 ARG 86 -8.715 15.034 -4.772 516 HH12 ARG 86 2HH2 ARG 86 -8.766 15.977 -3.315 517 HH21 ARG 86 1HH1 ARG 86 -9.547 13.328 -1.217 518 HH22 ARG 86 2HH1 ARG 86 -9.243 15.031 -1.345 519 H ALA 87 H ALA 87 -12.346 8.165 -6.436 520 HA ALA 87 HA ALA 87 -13.783 7.252 -4.107 521 HB1 ALA 87 1HB ALA 87 -14.859 8.183 -6.137 522 HB2 ALA 87 2HB ALA 87 -14.320 6.772 -7.075 523 HB3 ALA 87 3HB ALA 87 -15.482 6.568 -5.746 524 H SER 88 H SER 88 -11.954 5.466 -6.638 525 HA SER 88 HA SER 88 -12.595 2.843 -5.637 526 HB2 SER 88 1HB SER 88 -10.224 3.761 -7.276 527 HB3 SER 88 2HB SER 88 -10.810 2.092 -7.103 528 HG SER 88 HG SER 88 -11.529 3.311 -9.043 529 H ALA 89 H ALA 89 -10.047 5.174 -4.755 530 HA ALA 89 HA ALA 89 -8.688 3.311 -2.971 531 HB1 ALA 89 1HB ALA 89 -7.547 5.236 -4.035 532 HB2 ALA 89 2HB ALA 89 -8.582 6.355 -3.117 533 HB3 ALA 89 3HB ALA 89 -7.445 5.290 -2.266 534 H GLU 90 H GLU 90 -11.180 5.863 -2.482 535 HA GLU 90 HA GLU 90 -11.475 5.530 0.329 536 HB2 GLU 90 1HB GLU 90 -13.413 6.348 -1.859 537 HB3 GLU 90 2HB GLU 90 -13.874 6.327 -0.163 538 HG2 GLU 90 1HG GLU 90 -11.450 7.896 -1.132 539 HG3 GLU 90 2HG GLU 90 -13.077 8.554 -1.184 540 H ARG 91 H ARG 91 -13.011 3.717 -2.383 541 HA ARG 91 HA ARG 91 -14.565 1.940 -0.751 542 HB2 ARG 91 1HB ARG 91 -13.403 1.696 -3.540 543 HB3 ARG 91 2HB ARG 91 -14.455 0.466 -2.837 544 HG2 ARG 91 1HG ARG 91 -16.338 1.917 -2.751 545 HG3 ARG 91 2HG ARG 91 -15.357 3.364 -2.995 546 HD2 ARG 91 1HD ARG 91 -14.702 2.454 -5.255 547 HD3 ARG 91 2HD ARG 91 -15.906 1.175 -5.040 548 HE ARG 91 HE ARG 91 -17.475 3.279 -4.655 549 HH11 ARG 91 1HH1 ARG 91 -14.958 2.988 -7.142 550 HH12 ARG 91 2HH1 ARG 91 -15.757 4.108 -8.201 551 HH21 ARG 91 1HH2 ARG 91 -18.448 4.702 -6.084 552 HH22 ARG 91 2HH2 ARG 91 -17.707 5.055 -7.614 553 H ALA 92 H ALA 92 -11.148 1.796 -1.777 554 HA ALA 92 HA ALA 92 -10.731 -0.916 -0.853 555 HB1 ALA 92 1HB ALA 92 -9.419 0.155 -2.671 556 HB2 ALA 92 2HB ALA 92 -8.739 1.298 -1.494 557 HB3 ALA 92 3HB ALA 92 -8.386 -0.435 -1.357 558 H CYS 93 H CYS 93 -10.285 2.256 0.727 559 HA CYS 93 HA CYS 93 -8.862 1.113 2.968 560 HB2 CYS 93 1HB CYS 93 -8.760 3.306 3.816 561 HB3 CYS 93 2HB CYS 93 -8.680 3.483 2.057 562 HG CYS 93 HG CYS 93 -11.412 3.844 1.865 563 H LYS 94 H LYS 94 -12.122 0.798 2.288 564 HA LYS 94 HA LYS 94 -13.387 1.218 4.796 565 HB2 LYS 94 1HB LYS 94 -14.036 -0.756 2.561 566 HB3 LYS 94 2HB LYS 94 -15.117 -0.355 3.878 567 HG2 LYS 94 1HG LYS 94 -14.149 1.490 1.670 568 HG3 LYS 94 2HG LYS 94 -15.765 0.842 1.867 569 HD2 LYS 94 1HD LYS 94 -14.411 2.906 3.658 570 HD3 LYS 94 2HD LYS 94 -15.687 3.194 2.477 571 HE2 LYS 94 1HE LYS 94 -17.226 1.709 3.765 572 HE3 LYS 94 2HE LYS 94 -15.963 1.457 4.976 573 HZ1 LYS 94 3HZ LYS 94 -17.499 3.200 5.655 574 HZ2 LYS 94 1HZ LYS 94 -16.018 3.850 5.431 575 HZ3 LYS 94 2HZ LYS 94 -17.190 4.077 4.313 576 H ASP 95 H ASP 95 -11.427 -1.481 3.801 577 HA ASP 95 HA ASP 95 -11.770 -2.686 6.520 578 HB2 ASP 95 1HB ASP 95 -12.788 -4.086 4.775 579 HB3 ASP 95 2HB ASP 95 -11.225 -4.219 3.967 580 HA PRO 96 HA PRO 96 -7.409 -1.439 6.204 581 HB2 PRO 96 1HB PRO 96 -6.825 -1.174 8.842 582 HB3 PRO 96 2HB PRO 96 -7.857 -0.002 7.966 583 HG2 PRO 96 1HG PRO 96 -8.748 -2.344 9.683 584 HG3 PRO 96 2HG PRO 96 -9.310 -0.644 9.759 585 HD2 PRO 96 1HD PRO 96 -10.658 -2.587 8.380 586 HD3 PRO 96 2HD PRO 96 -10.606 -0.892 7.808 587 H ASN 97 H ASN 97 -8.738 -4.371 7.556 588 HA ASN 97 HA ASN 97 -6.086 -5.683 7.420 589 HB2 ASN 97 1HB ASN 97 -7.938 -6.037 9.796 590 HB3 ASN 97 2HB ASN 97 -6.406 -6.847 9.513 591 HD21 ASN 97 2HD2 ASN 97 -4.434 -5.282 9.251 592 HD22 ASN 97 1HD2 ASN 97 -4.422 -3.943 10.394 593 HA PRO 98 HA PRO 98 -9.577 -7.799 5.255 594 HB2 PRO 98 1HB PRO 98 -8.470 -8.059 2.771 595 HB3 PRO 98 2HB PRO 98 -9.190 -6.526 3.371 596 HG2 PRO 98 1HG PRO 98 -6.269 -7.365 3.377 597 HG3 PRO 98 2HG PRO 98 -6.980 -5.839 2.766 598 HD2 PRO 98 1HD PRO 98 -5.889 -6.042 5.249 599 HD3 PRO 98 2HD PRO 98 -7.354 -5.067 4.968 600 H ILE 99 H ILE 99 -6.433 -8.971 5.937 601 HA ILE 99 HA ILE 99 -5.508 -11.055 6.122 602 HB ILE 99 HB ILE 99 -8.217 -12.325 5.864 603 HG12 ILE 99 1HG1 ILE 99 -8.726 -10.552 7.369 604 HG13 ILE 99 2HG1 ILE 99 -8.591 -12.040 8.276 605 HG21 ILE 99 1HG2 ILE 99 -6.280 -13.829 6.093 606 HG22 ILE 99 2HG2 ILE 99 -5.745 -12.967 7.542 607 HG23 ILE 99 3HG2 ILE 99 -7.268 -13.879 7.551 608 HD11 ILE 99 3HD1 ILE 99 -7.606 -10.207 9.526 609 HD12 ILE 99 1HD1 ILE 99 -6.314 -11.326 9.068 610 HD13 ILE 99 2HD1 ILE 99 -6.543 -9.791 8.182 611 H ILE 100 H ILE 100 -4.844 -10.219 3.861 612 HA ILE 100 HA ILE 100 -5.912 -11.529 1.504 613 HB ILE 100 HB ILE 100 -3.440 -9.845 1.988 614 HG12 ILE 100 1HG1 ILE 100 -5.867 -9.286 0.224 615 HG13 ILE 100 2HG1 ILE 100 -5.901 -8.943 1.938 616 HG21 ILE 100 1HG2 ILE 100 -2.823 -11.356 0.150 617 HG22 ILE 100 2HG2 ILE 100 -4.369 -11.042 -0.670 618 HG23 ILE 100 3HG2 ILE 100 -3.151 -9.761 -0.511 619 HD11 ILE 100 3HD1 ILE 100 -5.344 -6.918 0.750 620 HD12 ILE 100 1HD1 ILE 100 -3.927 -7.431 1.687 621 HD13 ILE 100 2HD1 ILE 100 -3.983 -7.699 -0.071 622 H ASP 101 H ASP 101 -5.644 -13.463 0.853 623 HA ASP 101 HA ASP 101 -5.012 -15.564 0.573 624 HB2 ASP 101 1HB ASP 101 -3.053 -14.024 -0.484 625 HB3 ASP 101 2HB ASP 101 -2.083 -14.991 0.613 626 H GLY 102 H GLY 102 -5.229 -14.655 3.392 627 HA2 GLY 102 1HA GLY 102 -5.559 -16.121 5.197 628 HA3 GLY 102 2HA GLY 102 -4.309 -17.217 4.577 629 H ARG 103 H ARG 103 -3.644 -13.754 5.017 630 HA ARG 103 HA ARG 103 -2.533 -14.149 7.719 631 HB2 ARG 103 1HB ARG 103 -0.696 -14.845 6.193 632 HB3 ARG 103 2HB ARG 103 -0.809 -13.303 5.361 633 HG2 ARG 103 1HG ARG 103 1.098 -13.297 6.829 634 HG3 ARG 103 2HG ARG 103 -0.074 -12.119 7.415 635 HD2 ARG 103 1HD ARG 103 -0.812 -13.670 9.176 636 HD3 ARG 103 2HD ARG 103 0.231 -14.938 8.544 637 HE ARG 103 HE ARG 103 1.023 -12.545 10.096 638 HH11 ARG 103 1HH1 ARG 103 2.261 -15.255 8.167 639 HH12 ARG 103 2HH1 ARG 103 3.808 -15.212 8.958 640 HH21 ARG 103 1HH2 ARG 103 3.028 -12.580 11.094 641 HH22 ARG 103 2HH2 ARG 103 4.259 -13.627 10.512 642 H LYS 104 H LYS 104 -2.573 -12.296 8.933 643 HA LYS 104 HA LYS 104 -4.368 -10.283 8.099 644 HB2 LYS 104 1HB LYS 104 -4.095 -11.043 10.415 645 HB3 LYS 104 2HB LYS 104 -2.497 -10.279 10.481 646 HG2 LYS 104 1HG LYS 104 -3.522 -8.050 10.147 647 HG3 LYS 104 2HG LYS 104 -5.106 -8.783 9.894 648 HD2 LYS 104 1HD LYS 104 -4.947 -7.828 12.121 649 HD3 LYS 104 2HD LYS 104 -5.147 -9.587 12.215 650 HE2 LYS 104 1HE LYS 104 -2.727 -9.866 12.602 651 HE3 LYS 104 2HE LYS 104 -2.469 -8.128 12.411 652 HZ1 LYS 104 3HZ LYS 104 -2.580 -8.755 14.747 653 HZ2 LYS 104 1HZ LYS 104 -3.838 -7.775 14.394 654 HZ3 LYS 104 2HZ LYS 104 -4.077 -9.386 14.569 655 H ALA 105 H ALA 105 -3.983 -8.967 6.491 656 HA ALA 105 HA ALA 105 -1.457 -7.553 6.129 657 HB1 ALA 105 1HB ALA 105 -2.717 -8.428 4.200 658 HB2 ALA 105 2HB ALA 105 -4.110 -7.408 4.628 659 HB3 ALA 105 3HB ALA 105 -2.585 -6.666 4.113 660 H ASN 106 H ASN 106 -1.616 -5.162 5.695 661 HA ASN 106 HA ASN 106 -3.471 -3.663 7.483 662 HB2 ASN 106 1HB ASN 106 -1.403 -3.966 8.738 663 HB3 ASN 106 2HB ASN 106 -0.453 -3.407 7.357 664 HD21 ASN 106 2HD2 ASN 106 -0.532 -1.144 6.757 665 HD22 ASN 106 1HD2 ASN 106 -1.177 0.062 7.845 666 H VAL 107 H VAL 107 -4.574 -2.411 6.130 667 HA VAL 107 HA VAL 107 -3.337 -1.407 3.586 668 HB VAL 107 HB VAL 107 -6.248 -2.002 4.262 669 HG11 VAL 107 1HG1 VAL 107 -6.129 -0.164 2.620 670 HG12 VAL 107 2HG1 VAL 107 -4.967 -1.093 1.646 671 HG13 VAL 107 3HG1 VAL 107 -6.647 -1.646 1.817 672 HG21 VAL 107 3HG2 VAL 107 -6.023 -3.816 2.598 673 HG22 VAL 107 1HG2 VAL 107 -4.299 -3.456 2.439 674 HG23 VAL 107 2HG2 VAL 107 -4.941 -4.074 3.976 675 H ASN 108 H ASN 108 -3.088 0.714 3.359 676 HA ASN 108 HA ASN 108 -5.159 2.579 4.017 677 HB2 ASN 108 1HB ASN 108 -3.879 4.061 5.526 678 HB3 ASN 108 2HB ASN 108 -4.316 2.544 6.272 679 HD21 ASN 108 2HD2 ASN 108 -1.548 4.459 5.001 680 HD22 ASN 108 1HD2 ASN 108 -0.377 3.525 5.935 681 H LEU 109 H LEU 109 -4.820 4.709 3.213 682 HA LEU 109 HA LEU 109 -3.228 5.077 0.856 683 HB2 LEU 109 1HB LEU 109 -4.513 6.970 2.863 684 HB3 LEU 109 2HB LEU 109 -3.606 7.564 1.478 685 HG LEU 109 HG LEU 109 -5.997 5.705 1.167 686 HD11 LEU 109 1HD1 LEU 109 -6.728 7.769 2.287 687 HD12 LEU 109 2HD1 LEU 109 -5.910 8.753 1.057 688 HD13 LEU 109 3HD1 LEU 109 -7.297 7.736 0.610 689 HD21 LEU 109 3HD2 LEU 109 -5.990 6.674 -1.150 690 HD22 LEU 109 1HD2 LEU 109 -4.486 7.531 -0.764 691 HD23 LEU 109 2HD2 LEU 109 -4.520 5.759 -0.802 692 H ALA 110 H ALA 110 -1.200 5.736 0.578 693 HA ALA 110 HA ALA 110 0.802 4.939 2.127 694 HB1 ALA 110 1HB ALA 110 1.012 5.646 -0.174 695 HB2 ALA 110 2HB ALA 110 0.915 7.358 0.288 696 HB3 ALA 110 3HB ALA 110 2.307 6.368 0.803 697 H TYR 111 H TYR 111 0.986 8.524 2.135 698 HA TYR 111 HA TYR 111 2.466 9.288 4.002 699 HB2 TYR 111 1HB TYR 111 1.312 11.280 4.080 700 HB3 TYR 111 2HB TYR 111 0.935 10.565 2.538 701 HD1 TYR 111 2HD TYR 111 -1.370 9.023 2.598 702 HD2 TYR 111 1HD TYR 111 -0.421 12.320 5.220 703 HE1 TYR 111 2HE TYR 111 -3.776 9.328 3.092 704 HE2 TYR 111 1HE TYR 111 -2.839 12.663 5.660 705 HH TYR 111 HH TYR 111 -4.983 11.940 5.235 706 H LEU 112 H LEU 112 0.410 7.068 5.679 707 HA LEU 112 HA LEU 112 -0.116 8.828 7.968 708 HB2 LEU 112 1HB LEU 112 -0.732 5.856 7.814 709 HB3 LEU 112 2HB LEU 112 -1.445 7.088 8.846 710 HG LEU 112 HG LEU 112 -1.837 6.598 5.902 711 HD11 LEU 112 1HD1 LEU 112 -3.200 5.278 7.486 712 HD12 LEU 112 2HD1 LEU 112 -3.848 6.791 8.164 713 HD13 LEU 112 3HD1 LEU 112 -4.179 6.366 6.468 714 HD21 LEU 112 3HD2 LEU 112 -3.403 8.536 5.872 715 HD22 LEU 112 1HD2 LEU 112 -2.717 9.056 7.437 716 HD23 LEU 112 2HD2 LEU 112 -1.696 8.958 5.976 717 H GLY 113 H GLY 113 1.189 5.497 8.011 718 HA2 GLY 113 1HA GLY 113 3.102 6.147 10.177 719 HA3 GLY 113 2HA GLY 113 2.751 4.546 9.471 720 H ALA 114 H ALA 114 3.234 6.928 7.113 721 HA ALA 114 HA ALA 114 5.497 5.662 5.975 722 HB1 ALA 114 1HB ALA 114 3.765 6.885 4.692 723 HB2 ALA 114 2HB ALA 114 4.290 8.415 5.442 724 HB3 ALA 114 3HB ALA 114 5.380 7.527 4.358 725 H LYS 115 H LYS 115 7.587 6.386 5.631 726 HA LYS 115 HA LYS 115 8.753 7.896 7.914 727 HB2 LYS 115 1HB LYS 115 9.977 5.774 6.097 728 HB3 LYS 115 2HB LYS 115 10.749 6.493 7.501 729 HG2 LYS 115 1HG LYS 115 8.351 4.624 7.474 730 HG3 LYS 115 2HG LYS 115 9.981 4.295 8.068 731 HD2 LYS 115 1HD LYS 115 9.631 6.099 9.817 732 HD3 LYS 115 2HD LYS 115 7.937 6.187 9.315 733 HE2 LYS 115 1HE LYS 115 9.370 3.739 10.443 734 HE3 LYS 115 2HE LYS 115 8.228 4.778 11.304 735 HZ1 LYS 115 3HZ LYS 115 7.050 2.879 10.546 736 HZ2 LYS 115 1HZ LYS 115 6.558 4.106 9.567 737 HZ3 LYS 115 2HZ LYS 115 7.630 2.981 9.027 738 HA PRO 116 HA PRO 116 10.581 10.858 5.080 739 HB2 PRO 116 1HB PRO 116 12.841 11.625 6.422 740 HB3 PRO 116 2HB PRO 116 11.190 12.105 6.918 741 HG2 PRO 116 1HG PRO 116 12.890 9.858 8.020 742 HG3 PRO 116 2HG PRO 116 11.934 11.074 8.924 743 HD2 PRO 116 1HD PRO 116 11.022 8.546 8.419 744 HD3 PRO 116 2HD PRO 116 9.906 9.937 8.473 745 H ARG 117 H ARG 117 11.747 10.528 3.243 746 HA ARG 117 HA ARG 117 14.079 8.797 3.061 747 HB2 ARG 117 1HB ARG 117 12.080 7.217 3.309 748 HB3 ARG 117 2HB ARG 117 11.415 7.918 1.844 749 HG2 ARG 117 1HG ARG 117 12.449 5.867 1.258 750 HG3 ARG 117 2HG ARG 117 13.490 7.129 0.605 751 HD2 ARG 117 1HD ARG 117 15.094 6.825 2.412 752 HD3 ARG 117 2HD ARG 117 13.993 5.769 3.295 753 HE ARG 117 HE ARG 117 15.683 5.076 1.000 754 HH11 ARG 117 1HH1 ARG 117 12.848 4.012 2.851 755 HH12 ARG 117 2HH1 ARG 117 13.093 2.338 2.406 756 HH21 ARG 117 1HH2 ARG 117 15.854 2.894 0.422 757 HH22 ARG 117 2HH2 ARG 117 14.685 1.746 1.024 758 H THR 118 H THR 118 15.247 9.464 1.348 759 HA THR 118 HA THR 118 14.106 10.302 -1.155 760 HB THR 118 HB THR 118 13.759 12.399 0.044 761 HG1 THR 118 1HG THR 118 14.790 13.647 -1.498 762 HG21 THR 118 3HG2 THR 118 15.626 13.801 0.766 763 HG22 THR 118 1HG2 THR 118 15.634 12.292 1.690 764 HG23 THR 118 2HG2 THR 118 16.795 12.528 0.365 765 H ASN 119 H ASN 119 15.634 10.593 -2.776 766 HA ASN 119 HA ASN 119 18.507 10.080 -2.177 767 HB2 ASN 119 1HB ASN 119 16.863 8.803 -4.407 768 HB3 ASN 119 2HB ASN 119 18.619 8.711 -4.276 769 HD21 ASN 119 2HD2 ASN 119 19.579 7.531 -2.446 770 HD22 ASN 119 1HD2 ASN 119 18.625 6.295 -1.647 771 H VAL 120 H VAL 120 16.673 12.502 -2.844 772 HA VAL 120 HA VAL 120 18.350 13.715 -4.975 773 HB VAL 120 HB VAL 120 16.358 14.597 -6.151 774 HG11 VAL 120 1HG1 VAL 120 17.575 12.621 -7.022 775 HG12 VAL 120 2HG1 VAL 120 16.426 11.555 -6.178 776 HG13 VAL 120 3HG1 VAL 120 15.862 12.632 -7.468 777 HG21 VAL 120 3HG2 VAL 120 14.152 13.559 -5.897 778 HG22 VAL 120 1HG2 VAL 120 14.735 12.566 -4.549 779 HG23 VAL 120 2HG2 VAL 120 14.635 14.335 -4.385 780 H GLN 121 H GLN 121 18.162 16.003 -5.150 781 HA GLN 121 HA GLN 121 16.885 17.524 -2.955 782 HB2 GLN 121 1HB GLN 121 19.883 17.567 -3.522 783 HB3 GLN 121 2HB GLN 121 19.019 18.751 -2.540 784 HG2 GLN 121 1HG GLN 121 18.313 16.917 -0.982 785 HG3 GLN 121 2HG GLN 121 19.301 15.783 -1.912 786 HE21 GLN 121 2HE2 GLN 121 21.656 15.950 -1.774 787 HE22 GLN 121 1HE2 GLN 121 22.392 16.926 -0.508 788 H5' G 7 H5' G 7 4.888 -9.762 12.424 789 H5'' G 7 H5" G 7 4.450 -10.592 10.930 790 H4' G 7 H4' G 7 6.466 -11.643 12.981 791 H3' G 7 H3' G 7 6.689 -9.979 10.505 792 H2' G 7 H2' G 7 7.988 -11.448 9.336 793 HO2' G 7 2HO G 7 9.519 -11.224 11.388 794 H1' G 7 H1' G 7 7.719 -13.733 11.126 795 H8 G 7 8H G 7 7.496 -15.681 9.574 796 H1 G 7 1H G 7 4.267 -12.314 5.118 797 H21 G 7 1H2 G 7 4.048 -10.276 5.754 798 H22 G 7 2H2 G 7 4.695 -9.714 7.301 799 HO5' G 7 H5T G 7 3.972 -11.487 13.616 800 H5' U 8 H5' U 8 7.589 -7.941 9.985 801 H5'' U 8 H5" U 8 8.688 -6.998 10.995 802 H4' U 8 H4' U 8 7.599 -5.528 9.461 803 H3' U 8 H3' U 8 7.658 -5.013 12.168 804 H2' U 8 H2' U 8 5.455 -5.852 12.549 805 HO2' U 8 2HO U 8 5.397 -3.047 12.255 806 H1' U 8 H1' U 8 4.572 -4.396 10.050 807 H3 U 8 3H U 8 0.313 -5.566 11.412 808 H5 U 8 5H U 8 2.432 -9.151 11.774 809 H6 U 8 6H U 8 4.482 -7.962 11.087 810 H5' G 9 H5' G 9 9.984 -2.637 10.276 811 H5'' G 9 H5" G 9 10.224 -0.995 9.695 812 H4' G 9 H4' G 9 10.271 -2.453 7.827 813 H3' G 9 H3' G 9 7.643 -0.964 7.912 814 H2' G 9 H2' G 9 7.281 -1.866 5.707 815 HO2' G 9 2HO G 9 9.726 -1.477 5.279 816 H1' G 9 H1' G 9 8.519 -4.325 6.275 817 H8 G 9 8H G 9 6.587 -5.907 5.907 818 H1 G 9 1H G 9 2.292 -1.939 8.624 819 H21 G 9 1H2 G 9 3.399 -0.152 9.473 820 H22 G 9 2H2 G 9 5.143 -0.066 9.281 821 H5' U 10 H5' U 10 7.546 -0.300 3.959 822 H5'' U 10 H5" U 10 9.053 0.604 4.073 823 H4' U 10 H4' U 10 7.673 1.282 2.160 824 H3' U 10 H3' U 10 9.039 3.067 3.685 825 H2' U 10 H2' U 10 7.197 3.431 5.216 826 HO2' U 10 2HO U 10 7.861 5.436 3.631 827 H1' U 10 H1' U 10 5.489 3.731 2.743 828 H3 U 10 3H U 10 1.542 4.513 4.794 829 H5 U 10 5H U 10 3.584 2.239 7.642 830 H6 U 10 6H U 10 5.494 2.095 6.126 831 H5' G 11 H5' G 11 11.824 3.288 0.050 832 H5'' G 11 H5" G 11 10.244 3.631 -0.643 833 H4' G 11 H4' G 11 10.506 1.508 1.494 834 H3' G 11 H3' G 11 12.076 1.361 -0.817 835 H2' G 11 H2' G 11 10.463 1.317 -2.430 836 HO2' G 11 2HO G 11 10.800 -1.209 -1.378 837 H1' G 11 H1' G 11 8.247 -0.035 -0.899 838 H8 G 11 8H G 11 7.432 3.361 -0.767 839 H1 G 11 1H G 11 6.675 1.455 -6.870 840 H21 G 11 1H2 G 11 7.730 -0.534 -7.134 841 H22 G 11 2H2 G 11 8.499 -1.280 -5.740 842 H5' C 12 H5' C 12 15.296 -0.084 -1.316 843 H5'' C 12 H5" C 12 13.603 -0.440 -1.622 844 H4' C 12 H4' C 12 14.879 -2.398 0.196 845 H3' C 12 H3' C 12 16.656 -1.690 -1.801 846 HO3' C 12 H3T C 12 17.048 -4.151 -1.671 847 H2' C 12 H2' C 12 15.230 -2.139 -3.612 848 HO2' C 12 2HO C 12 17.048 -3.649 -3.794 849 H1' C 12 H1' C 12 14.306 -4.587 -2.121 850 H41 C 12 1H4 C 12 9.294 -5.140 -5.826 851 H42 C 12 2H4 C 12 9.760 -3.776 -6.833 852 H5 C 12 5H C 12 11.679 -2.379 -6.293 853 H6 C 12 6H C 12 13.499 -2.107 -4.715 Start of MODEL 3 1 H1 GLY 19 1H GLY 19 -10.938 13.770 10.047 2 H2 GLY 19 2H GLY 19 -11.669 15.227 10.220 3 H3 GLY 19 3H GLY 19 -10.083 15.056 10.604 4 HA2 GLY 19 1HA GLY 19 -10.599 13.601 12.435 5 HA3 GLY 19 2HA GLY 19 -11.432 15.159 12.600 6 H SER 20 H SER 20 -12.867 13.863 14.055 7 HA SER 20 HA SER 20 -14.564 11.789 12.913 8 HB2 SER 20 1HB SER 20 -15.616 11.893 15.187 9 HB3 SER 20 2HB SER 20 -13.870 11.602 15.184 10 HG SER 20 HG SER 20 -14.504 13.199 16.744 11 H THR 21 H THR 21 -14.855 15.222 13.126 12 HA THR 21 HA THR 21 -17.618 15.135 11.988 13 HB THR 21 HB THR 21 -16.721 17.048 14.181 14 HG1 THR 21 1HG THR 21 -18.237 15.916 15.414 15 HG21 THR 21 3HG2 THR 21 -19.127 17.722 14.185 16 HG22 THR 21 1HG2 THR 21 -18.337 18.116 12.655 17 HG23 THR 21 2HG2 THR 21 -19.405 16.698 12.758 18 H ASN 22 H ASN 22 -14.805 17.281 12.673 19 HA ASN 22 HA ASN 22 -15.308 18.957 10.363 20 HB2 ASN 22 1HB ASN 22 -14.196 19.758 12.420 21 HB3 ASN 22 2HB ASN 22 -12.846 18.658 12.133 22 HD21 ASN 22 2HD2 ASN 22 -14.386 21.684 11.130 23 HD22 ASN 22 1HD2 ASN 22 -13.095 22.180 10.051 24 H ALA 23 H ALA 23 -14.637 18.715 8.313 25 HA ALA 23 HA ALA 23 -12.318 17.181 7.478 26 HB1 ALA 23 1HB ALA 23 -13.943 15.334 7.839 27 HB2 ALA 23 2HB ALA 23 -15.122 16.161 6.800 28 HB3 ALA 23 3HB ALA 23 -13.606 15.543 6.113 29 H GLU 24 H GLU 24 -11.968 17.320 5.155 30 HA GLU 24 HA GLU 24 -13.497 19.316 3.616 31 HB2 GLU 24 1HB GLU 24 -10.527 19.595 4.265 32 HB3 GLU 24 2HB GLU 24 -11.361 20.491 2.996 33 HG2 GLU 24 1HG GLU 24 -12.888 21.471 4.727 34 HG3 GLU 24 2HG GLU 24 -11.920 20.680 5.981 35 HA PRO 25 HA PRO 25 -12.425 16.341 0.518 36 HB2 PRO 25 1HB PRO 25 -13.071 17.605 -1.804 37 HB3 PRO 25 2HB PRO 25 -14.292 17.195 -0.562 38 HG2 PRO 25 1HG PRO 25 -12.864 19.850 -0.954 39 HG3 PRO 25 2HG PRO 25 -14.628 19.560 -0.801 40 HD2 PRO 25 1HD PRO 25 -13.109 20.289 1.340 41 HD3 PRO 25 2HD PRO 25 -14.456 19.124 1.508 42 H VAL 26 H VAL 26 -10.595 19.279 0.631 43 HA VAL 26 HA VAL 26 -8.505 19.834 0.150 44 HB VAL 26 HB VAL 26 -7.951 17.077 -1.034 45 HG11 VAL 26 1HG1 VAL 26 -6.307 18.752 -1.749 46 HG12 VAL 26 2HG1 VAL 26 -6.119 19.320 -0.075 47 HG13 VAL 26 3HG1 VAL 26 -5.591 17.693 -0.537 48 HG21 VAL 26 3HG2 VAL 26 -6.894 16.616 1.177 49 HG22 VAL 26 1HG2 VAL 26 -7.509 18.164 1.792 50 HG23 VAL 26 2HG2 VAL 26 -8.632 16.862 1.341 51 H VAL 27 H VAL 27 -8.019 21.270 -1.293 52 HA VAL 27 HA VAL 27 -8.284 20.763 -4.211 53 HB VAL 27 HB VAL 27 -9.419 23.236 -2.822 54 HG11 VAL 27 1HG1 VAL 27 -8.433 23.818 -5.003 55 HG12 VAL 27 2HG1 VAL 27 -9.313 22.483 -5.781 56 HG13 VAL 27 3HG1 VAL 27 -10.193 23.871 -5.105 57 HG21 VAL 27 3HG2 VAL 27 -11.611 22.506 -3.745 58 HG22 VAL 27 1HG2 VAL 27 -10.867 20.992 -4.299 59 HG23 VAL 27 2HG2 VAL 27 -10.983 21.360 -2.562 60 H GLY 28 H GLY 28 -6.510 21.408 -5.238 61 HA2 GLY 28 1HA GLY 28 -4.855 23.475 -5.300 62 HA3 GLY 28 2HA GLY 28 -4.362 22.820 -3.741 63 H SER 29 H SER 29 -2.270 22.323 -4.463 64 HA SER 29 HA SER 29 -1.794 20.730 -6.865 65 HB2 SER 29 1HB SER 29 0.585 21.022 -6.184 66 HB3 SER 29 2HB SER 29 -0.313 22.538 -6.337 67 HG SER 29 HG SER 29 0.969 22.464 -4.409 68 H ARG 30 H ARG 30 -2.621 19.785 -3.710 69 HA ARG 30 HA ARG 30 -0.906 17.495 -3.375 70 HB2 ARG 30 1HB ARG 30 -3.629 18.154 -2.181 71 HB3 ARG 30 2HB ARG 30 -2.636 16.762 -1.721 72 HG2 ARG 30 1HG ARG 30 -0.783 18.306 -1.073 73 HG3 ARG 30 2HG ARG 30 -1.837 19.690 -1.431 74 HD2 ARG 30 1HD ARG 30 -3.458 18.891 0.263 75 HD3 ARG 30 2HD ARG 30 -2.403 17.504 0.616 76 HE ARG 30 HE ARG 30 -0.892 19.897 0.890 77 HH11 ARG 30 1HH1 ARG 30 -3.499 18.233 2.608 78 HH12 ARG 30 2HH1 ARG 30 -3.061 18.935 4.137 79 HH21 ARG 30 1HH2 ARG 30 -0.382 20.766 2.891 80 HH22 ARG 30 2HH2 ARG 30 -1.320 20.348 4.293 81 H ASP 31 H ASP 31 -1.008 15.511 -4.124 82 HA ASP 31 HA ASP 31 -3.393 14.190 -5.092 83 HB2 ASP 31 1HB ASP 31 -2.705 15.659 -7.049 84 HB3 ASP 31 2HB ASP 31 -1.177 14.778 -7.102 85 H THR 32 H THR 32 -2.818 11.985 -5.915 86 HA THR 32 HA THR 32 -2.137 9.895 -5.525 87 HB THR 32 HB THR 32 0.107 9.218 -5.324 88 HG1 THR 32 1HG THR 32 0.574 11.901 -4.613 89 HG21 THR 32 3HG2 THR 32 1.114 10.268 -7.259 90 HG22 THR 32 1HG2 THR 32 -0.624 10.055 -7.534 91 HG23 THR 32 2HG2 THR 32 0.024 11.664 -7.136 92 H MET 33 H MET 33 -1.404 12.087 -2.896 93 HA MET 33 HA MET 33 -1.280 10.286 -0.724 94 HB2 MET 33 1HB MET 33 -2.579 13.041 -0.911 95 HB3 MET 33 2HB MET 33 -2.215 12.199 0.599 96 HG2 MET 33 1HG MET 33 0.178 12.224 0.097 97 HG3 MET 33 2HG MET 33 -0.123 12.952 -1.479 98 HE1 MET 33 3HE MET 33 -0.403 15.070 2.613 99 HE2 MET 33 1HE MET 33 -1.453 13.696 2.215 100 HE3 MET 33 2HE MET 33 0.307 13.473 2.305 101 H PHE 34 H PHE 34 -3.945 10.809 -2.799 102 HA PHE 34 HA PHE 34 -5.901 9.639 -0.870 103 HB2 PHE 34 1HB PHE 34 -6.510 11.380 -3.252 104 HB3 PHE 34 2HB PHE 34 -7.570 11.009 -1.899 105 HD1 PHE 34 2HD PHE 34 -6.162 11.686 0.506 106 HD2 PHE 34 1HD PHE 34 -5.882 13.592 -3.353 107 HE1 PHE 34 2HE PHE 34 -5.246 13.726 1.579 108 HE2 PHE 34 1HE PHE 34 -4.971 15.636 -2.276 109 HZ PHE 34 HZ PHE 34 -4.622 15.691 0.192 110 H THR 35 H THR 35 -4.064 8.568 -3.332 111 HA THR 35 HA THR 35 -6.065 6.577 -4.264 112 HB THR 35 HB THR 35 -5.035 6.826 -6.599 113 HG1 THR 35 1HG THR 35 -4.275 8.893 -7.061 114 HG21 THR 35 3HG2 THR 35 -6.665 8.463 -7.299 115 HG22 THR 35 1HG2 THR 35 -7.360 7.403 -6.061 116 HG23 THR 35 2HG2 THR 35 -6.840 9.046 -5.631 117 H LYS 36 H LYS 36 -2.678 7.373 -3.690 118 HA LYS 36 HA LYS 36 -1.780 4.686 -4.470 119 HB2 LYS 36 1HB LYS 36 -0.405 6.726 -4.826 120 HB3 LYS 36 2HB LYS 36 -0.327 6.968 -3.072 121 HG2 LYS 36 1HG LYS 36 0.828 4.786 -2.815 122 HG3 LYS 36 2HG LYS 36 0.725 4.519 -4.563 123 HD2 LYS 36 1HD LYS 36 2.102 6.524 -4.973 124 HD3 LYS 36 2HD LYS 36 2.159 6.862 -3.228 125 HE2 LYS 36 1HE LYS 36 3.302 4.700 -2.833 126 HE3 LYS 36 2HE LYS 36 3.225 4.326 -4.560 127 HZ1 LYS 36 3HZ LYS 36 5.369 5.229 -3.883 128 HZ2 LYS 36 1HZ LYS 36 4.663 6.197 -4.996 129 HZ3 LYS 36 2HZ LYS 36 4.686 6.641 -3.412 130 H ILE 37 H ILE 37 -1.870 2.992 -3.196 131 HA ILE 37 HA ILE 37 -2.355 3.253 -0.250 132 HB ILE 37 HB ILE 37 -3.365 1.044 -2.078 133 HG12 ILE 37 1HG1 ILE 37 -4.968 3.473 -1.169 134 HG13 ILE 37 2HG1 ILE 37 -4.401 3.198 -2.816 135 HG21 ILE 37 1HG2 ILE 37 -3.132 0.637 0.410 136 HG22 ILE 37 2HG2 ILE 37 -4.300 1.945 0.675 137 HG23 ILE 37 3HG2 ILE 37 -4.776 0.470 -0.193 138 HD11 ILE 37 3HD1 ILE 37 -6.702 2.595 -2.719 139 HD12 ILE 37 1HD1 ILE 37 -5.750 1.118 -2.947 140 HD13 ILE 37 2HD1 ILE 37 -6.442 1.507 -1.349 141 H PHE 38 H PHE 38 -0.851 2.411 0.969 142 HA PHE 38 HA PHE 38 1.130 0.421 0.000 143 HB2 PHE 38 1HB PHE 38 2.100 2.217 1.269 144 HB3 PHE 38 2HB PHE 38 0.823 2.167 2.465 145 HD1 PHE 38 1HD PHE 38 0.735 0.514 4.208 146 HD2 PHE 38 2HD PHE 38 4.057 0.566 1.406 147 HE1 PHE 38 1HE PHE 38 2.013 -1.013 5.683 148 HE2 PHE 38 2HE PHE 38 5.340 -0.829 2.981 149 HZ PHE 38 HZ PHE 38 4.334 -1.702 5.036 150 H VAL 39 H VAL 39 0.939 -1.703 0.574 151 HA VAL 39 HA VAL 39 -1.230 -2.522 2.473 152 HB VAL 39 HB VAL 39 -0.815 -3.731 -0.291 153 HG11 VAL 39 1HG1 VAL 39 -1.524 -5.479 1.174 154 HG12 VAL 39 2HG1 VAL 39 -2.604 -4.413 2.078 155 HG13 VAL 39 3HG1 VAL 39 -3.023 -4.912 0.431 156 HG21 VAL 39 3HG2 VAL 39 -3.023 -2.866 -0.841 157 HG22 VAL 39 1HG2 VAL 39 -3.130 -2.046 0.738 158 HG23 VAL 39 2HG2 VAL 39 -1.932 -1.541 -0.478 159 H GLY 40 H GLY 40 0.167 -3.141 4.054 160 HA2 GLY 40 1HA GLY 40 2.188 -5.265 3.388 161 HA3 GLY 40 2HA GLY 40 2.351 -4.184 4.750 162 H GLY 41 H GLY 41 2.737 -6.432 5.595 163 HA2 GLY 41 1HA GLY 41 2.056 -8.178 6.961 164 HA3 GLY 41 2HA GLY 41 0.402 -7.512 6.975 165 H LEU 42 H LEU 42 2.032 -8.242 3.979 166 HA LEU 42 HA LEU 42 0.131 -10.384 3.262 167 HB2 LEU 42 1HB LEU 42 2.503 -9.180 1.757 168 HB3 LEU 42 2HB LEU 42 1.330 -10.299 1.084 169 HG LEU 42 HG LEU 42 0.729 -7.455 2.018 170 HD11 LEU 42 1HD1 LEU 42 2.091 -7.597 -0.055 171 HD12 LEU 42 2HD1 LEU 42 0.859 -8.642 -0.788 172 HD13 LEU 42 3HD1 LEU 42 0.466 -6.961 -0.365 173 HD21 LEU 42 3HD2 LEU 42 -1.485 -7.837 0.892 174 HD22 LEU 42 1HD2 LEU 42 -1.060 -9.550 0.705 175 HD23 LEU 42 2HD2 LEU 42 -1.262 -8.843 2.327 176 HA PRO 43 HA PRO 43 3.227 -13.533 4.241 177 HB2 PRO 43 1HB PRO 43 2.368 -15.662 2.840 178 HB3 PRO 43 2HB PRO 43 1.455 -15.031 4.240 179 HG2 PRO 43 1HG PRO 43 0.934 -14.537 1.302 180 HG3 PRO 43 2HG PRO 43 -0.240 -14.926 2.592 181 HD2 PRO 43 1HD PRO 43 0.281 -12.344 1.711 182 HD3 PRO 43 2HD PRO 43 -0.305 -12.735 3.337 183 H TYR 44 H TYR 44 5.084 -14.495 3.222 184 HA TYR 44 HA TYR 44 6.105 -12.897 1.115 185 HB2 TYR 44 1HB TYR 44 7.172 -15.448 2.359 186 HB3 TYR 44 2HB TYR 44 8.103 -14.411 1.295 187 HD1 TYR 44 1HD TYR 44 6.859 -11.726 2.711 188 HD2 TYR 44 2HD TYR 44 8.949 -15.273 4.013 189 HE1 TYR 44 1HE TYR 44 7.795 -10.473 4.625 190 HE2 TYR 44 2HE TYR 44 9.897 -14.003 5.927 191 HH TYR 44 HH TYR 44 9.161 -10.531 6.467 192 H HIS 45 H HIS 45 4.059 -15.493 0.594 193 HA HIS 45 HA HIS 45 5.270 -16.196 -2.028 194 HB2 HIS 45 1HB HIS 45 3.876 -18.101 -2.037 195 HB3 HIS 45 2HB HIS 45 4.602 -17.986 -0.440 196 HD2 HIS 45 2HD HIS 45 1.233 -17.697 -2.268 197 HE1 HIS 45 1HE HIS 45 0.326 -17.463 1.876 198 HE2 HIS 45 2HE HIS 45 -0.665 -17.568 -0.462 199 H THR 46 H THR 46 3.069 -13.872 -1.000 200 HA THR 46 HA THR 46 1.115 -13.911 -3.127 201 HB THR 46 HB THR 46 2.103 -11.559 -1.455 202 HG1 THR 46 1HG THR 46 0.189 -13.613 -1.051 203 HG21 THR 46 3HG2 THR 46 -0.154 -10.657 -1.742 204 HG22 THR 46 1HG2 THR 46 0.574 -10.884 -3.334 205 HG23 THR 46 2HG2 THR 46 -0.627 -12.049 -2.731 206 H SER 47 H SER 47 1.068 -12.856 -5.105 207 HA SER 47 HA SER 47 3.623 -11.612 -6.067 208 HB2 SER 47 1HB SER 47 1.554 -13.211 -7.618 209 HB3 SER 47 2HB SER 47 2.992 -12.450 -8.301 210 HG SER 47 HG SER 47 4.295 -13.860 -7.077 211 H ASP 48 H ASP 48 3.279 -10.181 -8.018 212 HA ASP 48 HA ASP 48 1.912 -7.868 -7.239 213 HB2 ASP 48 1HB ASP 48 2.696 -8.653 -10.074 214 HB3 ASP 48 2HB ASP 48 2.489 -7.021 -9.451 215 H LYS 49 H LYS 49 0.849 -10.357 -9.583 216 HA LYS 49 HA LYS 49 -1.679 -9.056 -10.200 217 HB2 LYS 49 1HB LYS 49 -0.571 -11.850 -10.678 218 HB3 LYS 49 2HB LYS 49 -2.216 -11.381 -11.135 219 HG2 LYS 49 1HG LYS 49 -1.383 -9.568 -12.544 220 HG3 LYS 49 2HG LYS 49 0.295 -9.952 -12.102 221 HD2 LYS 49 1HD LYS 49 0.044 -12.209 -13.109 222 HD3 LYS 49 2HD LYS 49 -1.632 -11.821 -13.556 223 HE2 LYS 49 1HE LYS 49 -0.817 -9.921 -14.944 224 HE3 LYS 49 2HE LYS 49 0.850 -10.308 -14.499 225 HZ1 LYS 49 3HZ LYS 49 0.267 -11.253 -16.650 226 HZ2 LYS 49 1HZ LYS 49 0.574 -12.462 -15.596 227 HZ3 LYS 49 2HZ LYS 49 -0.969 -12.105 -16.007 228 H THR 50 H THR 50 -0.704 -11.435 -7.730 229 HA THR 50 HA THR 50 -3.276 -12.306 -6.889 230 HB THR 50 HB THR 50 -0.958 -11.807 -5.000 231 HG1 THR 50 1HG THR 50 -1.277 -14.020 -6.750 232 HG21 THR 50 3HG2 THR 50 -1.742 -13.949 -3.998 233 HG22 THR 50 1HG2 THR 50 -2.988 -12.693 -3.952 234 HG23 THR 50 2HG2 THR 50 -3.084 -13.991 -5.162 235 H LEU 51 H LEU 51 -1.386 -9.424 -5.970 236 HA LEU 51 HA LEU 51 -3.404 -8.487 -4.117 237 HB2 LEU 51 1HB LEU 51 -0.900 -8.047 -3.993 238 HB3 LEU 51 2HB LEU 51 -1.065 -7.009 -5.410 239 HG LEU 51 HG LEU 51 -2.653 -5.552 -4.082 240 HD11 LEU 51 1HD1 LEU 51 -3.417 -7.147 -2.373 241 HD12 LEU 51 2HD1 LEU 51 -1.756 -7.322 -1.759 242 HD13 LEU 51 3HD1 LEU 51 -2.614 -5.775 -1.611 243 HD21 LEU 51 3HD2 LEU 51 -0.842 -4.530 -2.705 244 HD22 LEU 51 1HD2 LEU 51 0.152 -5.976 -2.965 245 HD23 LEU 51 2HD2 LEU 51 -0.310 -4.946 -4.343 246 H HIS 52 H HIS 52 -2.638 -7.667 -7.514 247 HA HIS 52 HA HIS 52 -4.531 -5.554 -7.831 248 HB2 HIS 52 1HB HIS 52 -2.756 -6.197 -9.479 249 HB3 HIS 52 2HB HIS 52 -3.617 -7.683 -9.816 250 HD2 HIS 52 2HD HIS 52 -3.738 -3.927 -10.606 251 HE1 HIS 52 1HE HIS 52 -6.789 -5.781 -12.920 252 HE2 HIS 52 2HE HIS 52 -5.490 -3.625 -12.538 253 H GLU 53 H GLU 53 -4.863 -9.063 -7.993 254 HA GLU 53 HA GLU 53 -7.616 -9.110 -8.896 255 HB2 GLU 53 1HB GLU 53 -5.679 -11.196 -7.852 256 HB3 GLU 53 2HB GLU 53 -7.361 -11.587 -8.241 257 HG2 GLU 53 1HG GLU 53 -7.046 -10.748 -10.551 258 HG3 GLU 53 2HG GLU 53 -5.349 -10.418 -10.219 259 H TYR 54 H TYR 54 -6.267 -8.535 -5.762 260 HA TYR 54 HA TYR 54 -8.832 -9.255 -4.431 261 HB2 TYR 54 1HB TYR 54 -6.664 -9.792 -3.315 262 HB3 TYR 54 2HB TYR 54 -6.315 -8.067 -3.216 263 HD1 TYR 54 1HD TYR 54 -8.615 -10.775 -2.112 264 HD2 TYR 54 2HD TYR 54 -7.471 -6.653 -1.572 265 HE1 TYR 54 1HE TYR 54 -10.111 -10.624 -0.135 266 HE2 TYR 54 2HE TYR 54 -8.964 -6.496 0.409 267 HH TYR 54 HH TYR 54 -10.990 -9.261 1.492 268 H PHE 55 H PHE 55 -6.848 -6.352 -5.222 269 HA PHE 55 HA PHE 55 -8.747 -4.582 -3.954 270 HB2 PHE 55 1HB PHE 55 -6.186 -4.222 -5.484 271 HB3 PHE 55 2HB PHE 55 -7.244 -2.838 -5.253 272 HD1 PHE 55 1HD PHE 55 -5.655 -5.625 -3.257 273 HD2 PHE 55 2HD PHE 55 -7.128 -1.568 -3.295 274 HE1 PHE 55 1HE PHE 55 -4.982 -5.353 -0.892 275 HE2 PHE 55 2HE PHE 55 -6.416 -1.297 -0.933 276 HZ PHE 55 HZ PHE 55 -5.387 -3.202 0.280 277 H GLU 56 H GLU 56 -8.750 -5.896 -7.158 278 HA GLU 56 HA GLU 56 -10.177 -3.763 -8.393 279 HB2 GLU 56 1HB GLU 56 -10.629 -5.324 -10.206 280 HB3 GLU 56 2HB GLU 56 -8.958 -5.324 -9.687 281 HG2 GLU 56 1HG GLU 56 -9.349 -7.556 -10.037 282 HG3 GLU 56 2HG GLU 56 -9.525 -7.427 -8.297 283 H GLN 57 H GLN 57 -11.342 -5.774 -5.932 284 HA GLN 57 HA GLN 57 -14.158 -5.655 -6.672 285 HB2 GLN 57 1HB GLN 57 -14.596 -6.591 -4.564 286 HB3 GLN 57 2HB GLN 57 -13.083 -7.331 -5.081 287 HG2 GLN 57 1HG GLN 57 -11.879 -5.578 -3.631 288 HG3 GLN 57 2HG GLN 57 -13.465 -5.107 -3.027 289 HE21 GLN 57 2HE2 GLN 57 -10.912 -7.456 -2.769 290 HE22 GLN 57 1HE2 GLN 57 -11.681 -8.417 -1.507 291 H PHE 58 H PHE 58 -11.910 -3.332 -5.384 292 HA PHE 58 HA PHE 58 -14.006 -1.673 -4.125 293 HB2 PHE 58 1HB PHE 58 -11.021 -1.191 -4.373 294 HB3 PHE 58 2HB PHE 58 -12.138 -0.357 -3.312 295 HD1 PHE 58 2HD PHE 58 -13.641 -2.284 -1.851 296 HD2 PHE 58 1HD PHE 58 -9.550 -2.547 -3.183 297 HE1 PHE 58 2HE PHE 58 -13.148 -3.897 -0.033 298 HE2 PHE 58 1HE PHE 58 -9.061 -4.167 -1.367 299 HZ PHE 58 HZ PHE 58 -10.864 -4.848 0.210 300 H GLY 59 H GLY 59 -12.441 -1.905 -7.190 301 HA2 GLY 59 1HA GLY 59 -13.833 -0.362 -8.787 302 HA3 GLY 59 2HA GLY 59 -13.005 0.924 -7.925 303 H ASP 60 H ASP 60 -11.749 1.685 -9.545 304 HA ASP 60 HA ASP 60 -10.417 -0.167 -11.430 305 HB2 ASP 60 1HB ASP 60 -10.874 2.835 -11.419 306 HB3 ASP 60 2HB ASP 60 -9.987 1.957 -12.670 307 H ILE 61 H ILE 61 -8.278 -0.461 -11.650 308 HA ILE 61 HA ILE 61 -6.421 0.838 -9.683 309 HB ILE 61 HB ILE 61 -6.280 -1.892 -10.989 310 HG12 ILE 61 1HG1 ILE 61 -6.750 -1.215 -8.053 311 HG13 ILE 61 2HG1 ILE 61 -8.057 -1.631 -9.158 312 HG21 ILE 61 1HG2 ILE 61 -4.044 -1.003 -10.614 313 HG22 ILE 61 2HG2 ILE 61 -4.473 -0.479 -8.966 314 HG23 ILE 61 3HG2 ILE 61 -4.346 -2.191 -9.368 315 HD11 ILE 61 3HD1 ILE 61 -7.447 -3.574 -7.887 316 HD12 ILE 61 1HD1 ILE 61 -7.021 -3.851 -9.578 317 HD13 ILE 61 2HD1 ILE 61 -5.765 -3.476 -8.370 318 H GLU 62 H GLU 62 -4.764 2.027 -10.441 319 HA GLU 62 HA GLU 62 -4.185 2.411 -13.291 320 HB2 GLU 62 1HB GLU 62 -2.875 3.331 -10.700 321 HB3 GLU 62 2HB GLU 62 -2.157 3.654 -12.259 322 HG2 GLU 62 1HG GLU 62 -4.896 4.568 -11.383 323 HG3 GLU 62 2HG GLU 62 -3.436 5.534 -11.251 324 H GLU 63 H GLU 63 -2.571 0.955 -10.449 325 HA GLU 63 HA GLU 63 -1.097 -1.049 -11.918 326 HB2 GLU 63 1HB GLU 63 0.244 1.000 -12.426 327 HB3 GLU 63 2HB GLU 63 0.414 1.313 -10.698 328 HG2 GLU 63 1HG GLU 63 1.721 -0.739 -10.416 329 HG3 GLU 63 2HG GLU 63 1.399 -1.216 -12.089 330 H ALA 64 H ALA 64 -0.214 -2.580 -10.467 331 HA ALA 64 HA ALA 64 -0.285 -2.092 -7.573 332 HB1 ALA 64 1HB ALA 64 -2.550 -2.915 -8.041 333 HB2 ALA 64 2HB ALA 64 -1.883 -4.287 -8.942 334 HB3 ALA 64 3HB ALA 64 -1.627 -4.172 -7.188 335 H VAL 65 H VAL 65 1.127 -3.373 -6.444 336 HA VAL 65 HA VAL 65 2.807 -5.378 -7.824 337 HB VAL 65 HB VAL 65 4.903 -4.178 -7.220 338 HG11 VAL 65 1HG1 VAL 65 4.023 -4.054 -9.541 339 HG12 VAL 65 2HG1 VAL 65 3.229 -2.512 -9.132 340 HG13 VAL 65 3HG1 VAL 65 4.993 -2.650 -9.073 341 HG21 VAL 65 3HG2 VAL 65 4.895 -1.769 -6.746 342 HG22 VAL 65 1HG2 VAL 65 3.126 -1.760 -6.676 343 HG23 VAL 65 2HG2 VAL 65 4.071 -2.661 -5.467 344 H VAL 66 H VAL 66 4.317 -6.447 -6.435 345 HA VAL 66 HA VAL 66 3.958 -6.063 -3.482 346 HB VAL 66 HB VAL 66 4.157 -8.734 -4.931 347 HG11 VAL 66 1HG1 VAL 66 5.531 -8.830 -2.884 348 HG12 VAL 66 2HG1 VAL 66 4.208 -8.111 -1.936 349 HG13 VAL 66 3HG1 VAL 66 4.033 -9.729 -2.635 350 HG21 VAL 66 3HG2 VAL 66 1.997 -9.183 -3.794 351 HG22 VAL 66 1HG2 VAL 66 2.002 -7.546 -3.114 352 HG23 VAL 66 2HG2 VAL 66 1.856 -7.789 -4.868 353 H ILE 67 H ILE 67 5.834 -5.873 -2.379 354 HA ILE 67 HA ILE 67 8.148 -5.198 -4.023 355 HB ILE 67 HB ILE 67 7.658 -5.051 -1.032 356 HG12 ILE 67 1HG1 ILE 67 6.187 -3.508 -2.167 357 HG13 ILE 67 2HG1 ILE 67 7.498 -2.631 -1.411 358 HG21 ILE 67 1HG2 ILE 67 10.063 -5.181 -1.411 359 HG22 ILE 67 2HG2 ILE 67 9.980 -3.913 -2.643 360 HG23 ILE 67 3HG2 ILE 67 9.607 -3.545 -0.942 361 HD11 ILE 67 3HD1 ILE 67 7.112 -1.553 -3.426 362 HD12 ILE 67 1HD1 ILE 67 8.633 -2.438 -3.647 363 HD13 ILE 67 2HD1 ILE 67 7.131 -3.070 -4.366 364 H THR 68 H THR 68 9.562 -6.550 -4.693 365 HA THR 68 HA THR 68 10.670 -8.690 -2.950 366 HB THR 68 HB THR 68 11.160 -9.910 -5.103 367 HG1 THR 68 1HG THR 68 9.829 -9.323 -6.880 368 HG21 THR 68 3HG2 THR 68 8.908 -10.863 -5.340 369 HG22 THR 68 1HG2 THR 68 9.294 -10.602 -3.635 370 HG23 THR 68 2HG2 THR 68 8.202 -9.479 -4.477 371 H ASP 69 H ASP 69 12.842 -8.843 -2.880 372 HA ASP 69 HA ASP 69 14.190 -6.425 -3.121 373 HB2 ASP 69 1HB ASP 69 14.667 -8.214 -1.511 374 HB3 ASP 69 2HB ASP 69 15.368 -9.186 -2.803 375 H ARG 70 H ARG 70 15.634 -5.456 -4.437 376 HA ARG 70 HA ARG 70 15.588 -5.941 -7.167 377 HB2 ARG 70 1HB ARG 70 17.302 -4.266 -7.405 378 HB3 ARG 70 2HB ARG 70 16.118 -3.775 -6.196 379 HG2 ARG 70 1HG ARG 70 17.656 -4.297 -4.379 380 HG3 ARG 70 2HG ARG 70 18.829 -5.013 -5.497 381 HD2 ARG 70 1HD ARG 70 19.216 -2.861 -6.580 382 HD3 ARG 70 2HD ARG 70 17.954 -2.110 -5.612 383 HE ARG 70 HE ARG 70 19.302 -2.155 -3.698 384 HH11 ARG 70 1HH1 ARG 70 21.101 -3.688 -6.345 385 HH12 ARG 70 2HH1 ARG 70 22.597 -3.637 -5.458 386 HH21 ARG 70 1HH2 ARG 70 21.228 -2.117 -2.643 387 HH22 ARG 70 2HH2 ARG 70 22.669 -2.751 -3.384 388 H ASN 71 H ASN 71 17.746 -7.459 -4.879 389 HA ASN 71 HA ASN 71 19.484 -8.574 -7.050 390 HB2 ASN 71 1HB ASN 71 20.579 -7.233 -5.222 391 HB3 ASN 71 2HB ASN 71 19.947 -8.361 -4.043 392 HD21 ASN 71 2HD2 ASN 71 21.907 -9.236 -3.295 393 HD22 ASN 71 1HD2 ASN 71 23.008 -10.115 -4.340 394 H THR 72 H THR 72 17.802 -9.485 -3.996 395 HA THR 72 HA THR 72 18.221 -12.365 -4.576 396 HB THR 72 HB THR 72 17.457 -12.558 -2.118 397 HG1 THR 72 1HG THR 72 17.784 -10.446 -1.087 398 HG21 THR 72 3HG2 THR 72 19.627 -11.713 -1.285 399 HG22 THR 72 1HG2 THR 72 19.886 -12.483 -2.860 400 HG23 THR 72 2HG2 THR 72 19.841 -10.708 -2.738 401 H GLN 73 H GLN 73 15.645 -10.152 -4.855 402 HA GLN 73 HA GLN 73 13.453 -10.325 -5.321 403 HB2 GLN 73 1HB GLN 73 14.422 -12.983 -6.425 404 HB3 GLN 73 2HB GLN 73 12.768 -12.431 -6.639 405 HG2 GLN 73 1HG GLN 73 15.146 -10.726 -7.491 406 HG3 GLN 73 2HG GLN 73 14.392 -11.924 -8.535 407 HE21 GLN 73 2HE2 GLN 73 13.906 -8.726 -7.021 408 HE22 GLN 73 1HE2 GLN 73 12.408 -8.398 -7.879 409 H LYS 74 H LYS 74 14.483 -11.668 -2.639 410 HA LYS 74 HA LYS 74 12.189 -13.261 -1.908 411 HB2 LYS 74 1HB LYS 74 13.260 -13.663 0.017 412 HB3 LYS 74 2HB LYS 74 14.644 -13.152 -0.917 413 HG2 LYS 74 1HG LYS 74 13.126 -11.402 1.061 414 HG3 LYS 74 2HG LYS 74 14.614 -12.311 1.387 415 HD2 LYS 74 1HD LYS 74 15.940 -10.983 0.039 416 HD3 LYS 74 2HD LYS 74 14.569 -10.309 -0.839 417 HE2 LYS 74 1HE LYS 74 15.441 -8.582 0.586 418 HE3 LYS 74 2HE LYS 74 13.862 -9.073 1.204 419 HZ1 LYS 74 3HZ LYS 74 15.512 -8.856 2.979 420 HZ2 LYS 74 1HZ LYS 74 15.018 -10.411 2.887 421 HZ3 LYS 74 2HZ LYS 74 16.480 -9.975 2.290 422 H SER 75 H SER 75 10.336 -12.684 -0.732 423 HA SER 75 HA SER 75 9.350 -10.008 -1.293 424 HB2 SER 75 1HB SER 75 7.863 -11.911 -1.412 425 HB3 SER 75 2HB SER 75 8.141 -12.273 0.303 426 HG SER 75 HG SER 75 6.185 -10.928 -0.393 427 H ARG 76 H ARG 76 8.892 -8.345 -0.010 428 HA ARG 76 HA ARG 76 10.142 -8.160 2.672 429 HB2 ARG 76 1HB ARG 76 9.101 -6.261 0.574 430 HB3 ARG 76 2HB ARG 76 9.175 -5.711 2.235 431 HG2 ARG 76 1HG ARG 76 11.658 -7.087 1.287 432 HG3 ARG 76 2HG ARG 76 11.285 -5.548 0.503 433 HD2 ARG 76 1HD ARG 76 11.151 -4.376 2.562 434 HD3 ARG 76 2HD ARG 76 11.232 -5.877 3.517 435 HE ARG 76 HE ARG 76 13.577 -5.602 1.872 436 HH11 ARG 76 1HH1 ARG 76 12.162 -4.213 4.802 437 HH12 ARG 76 2HH1 ARG 76 13.714 -3.713 5.415 438 HH21 ARG 76 1HH2 ARG 76 15.476 -4.888 2.627 439 HH22 ARG 76 2HH2 ARG 76 15.611 -4.118 4.193 440 H GLY 77 H GLY 77 7.155 -9.231 1.619 441 HA2 GLY 77 1HA GLY 77 5.276 -9.768 2.886 442 HA3 GLY 77 2HA GLY 77 5.960 -8.893 4.278 443 H TYR 78 H TYR 78 5.824 -7.001 1.413 444 HA TYR 78 HA TYR 78 3.081 -6.108 1.752 445 HB2 TYR 78 1HB TYR 78 3.526 -3.876 2.330 446 HB3 TYR 78 2HB TYR 78 4.538 -4.798 3.421 447 HD1 TYR 78 2HD TYR 78 7.051 -4.876 2.977 448 HD2 TYR 78 1HD TYR 78 4.345 -2.332 0.800 449 HE1 TYR 78 2HE TYR 78 8.972 -3.450 2.232 450 HE2 TYR 78 1HE TYR 78 6.242 -0.895 0.120 451 HH TYR 78 HH TYR 78 9.624 -1.607 1.017 452 H GLY 79 H GLY 79 2.412 -4.509 0.239 453 HA2 GLY 79 1HA GLY 79 3.962 -4.185 -2.281 454 HA3 GLY 79 2HA GLY 79 2.334 -4.875 -2.318 455 H PHE 80 H PHE 80 2.372 -2.924 -3.788 456 HA PHE 80 HA PHE 80 1.003 -0.696 -2.395 457 HB2 PHE 80 1HB PHE 80 3.273 -0.504 -4.374 458 HB3 PHE 80 2HB PHE 80 1.989 0.679 -4.455 459 HD1 PHE 80 1HD PHE 80 1.497 2.216 -2.615 460 HD2 PHE 80 2HD PHE 80 4.913 -0.425 -2.501 461 HE1 PHE 80 1HE PHE 80 2.522 3.618 -0.843 462 HE2 PHE 80 2HE PHE 80 5.934 1.012 -0.750 463 HZ PHE 80 HZ PHE 80 4.746 3.015 0.088 464 H VAL 81 H VAL 81 -0.738 0.120 -3.422 465 HA VAL 81 HA VAL 81 -1.505 -0.870 -6.144 466 HB VAL 81 HB VAL 81 -3.447 -0.700 -3.793 467 HG11 VAL 81 1HG1 VAL 81 -4.441 -0.230 -6.034 468 HG12 VAL 81 2HG1 VAL 81 -3.842 -1.788 -6.617 469 HG13 VAL 81 3HG1 VAL 81 -5.057 -1.724 -5.330 470 HG21 VAL 81 3HG2 VAL 81 -3.643 -3.179 -3.985 471 HG22 VAL 81 1HG2 VAL 81 -2.259 -3.181 -5.096 472 HG23 VAL 81 2HG2 VAL 81 -2.063 -2.653 -3.407 473 H THR 82 H THR 82 -2.110 0.845 -7.421 474 HA THR 82 HA THR 82 -2.897 3.413 -6.068 475 HB THR 82 HB THR 82 -1.398 3.055 -8.679 476 HG1 THR 82 1HG THR 82 0.275 3.942 -7.458 477 HG21 THR 82 3HG2 THR 82 -1.168 5.539 -8.550 478 HG22 THR 82 1HG2 THR 82 -2.863 5.068 -8.722 479 HG23 THR 82 2HG2 THR 82 -2.242 5.566 -7.133 480 H MET 83 H MET 83 -4.859 4.095 -6.445 481 HA MET 83 HA MET 83 -6.565 2.618 -8.371 482 HB2 MET 83 1HB MET 83 -7.432 4.606 -6.251 483 HB3 MET 83 2HB MET 83 -8.408 3.429 -7.109 484 HG2 MET 83 1HG MET 83 -6.240 2.872 -5.061 485 HG3 MET 83 2HG MET 83 -7.969 2.713 -4.827 486 HE1 MET 83 3HE MET 83 -8.924 -0.459 -6.808 487 HE2 MET 83 1HE MET 83 -9.450 0.794 -5.655 488 HE3 MET 83 2HE MET 83 -9.038 1.233 -7.330 489 H LYS 84 H LYS 84 -7.846 3.567 -9.966 490 HA LYS 84 HA LYS 84 -6.599 5.772 -11.352 491 HB2 LYS 84 1HB LYS 84 -9.245 4.357 -11.808 492 HB3 LYS 84 2HB LYS 84 -8.533 5.539 -12.912 493 HG2 LYS 84 1HG LYS 84 -6.460 3.934 -12.930 494 HG3 LYS 84 2HG LYS 84 -7.587 2.743 -12.277 495 HD2 LYS 84 1HD LYS 84 -9.088 3.219 -14.281 496 HD3 LYS 84 2HD LYS 84 -7.815 4.280 -14.904 497 HE2 LYS 84 1HE LYS 84 -6.213 2.372 -14.880 498 HE3 LYS 84 2HE LYS 84 -7.486 1.310 -14.272 499 HZ1 LYS 84 3HZ LYS 84 -7.247 1.114 -16.671 500 HZ2 LYS 84 1HZ LYS 84 -8.723 1.722 -16.329 501 HZ3 LYS 84 2HZ LYS 84 -7.542 2.705 -16.893 502 H ASP 85 H ASP 85 -9.140 5.746 -9.003 503 HA ASP 85 HA ASP 85 -9.249 8.683 -9.055 504 HB2 ASP 85 1HB ASP 85 -11.084 7.902 -10.592 505 HB3 ASP 85 2HB ASP 85 -11.805 7.040 -9.231 506 H ARG 86 H ARG 86 -10.005 9.587 -7.143 507 HA ARG 86 HA ARG 86 -9.215 8.315 -4.743 508 HB2 ARG 86 1HB ARG 86 -11.091 10.700 -5.106 509 HB3 ARG 86 2HB ARG 86 -10.272 10.247 -3.604 510 HG2 ARG 86 1HG ARG 86 -8.079 10.584 -4.699 511 HG3 ARG 86 2HG ARG 86 -8.884 11.092 -6.188 512 HD2 ARG 86 1HD ARG 86 -10.038 12.866 -4.659 513 HD3 ARG 86 2HD ARG 86 -8.723 12.535 -3.541 514 HE ARG 86 HE ARG 86 -8.563 14.389 -5.449 515 HH11 ARG 86 1HH1 ARG 86 -6.645 11.354 -5.550 516 HH12 ARG 86 2HH1 ARG 86 -5.380 12.197 -6.430 517 HH21 ARG 86 1HH2 ARG 86 -6.830 15.242 -6.560 518 HH22 ARG 86 2HH2 ARG 86 -5.481 14.190 -6.945 519 H ALA 87 H ALA 87 -12.419 8.424 -6.311 520 HA ALA 87 HA ALA 87 -13.952 7.434 -4.094 521 HB1 ALA 87 1HB ALA 87 -14.881 8.624 -6.062 522 HB2 ALA 87 2HB ALA 87 -14.446 7.248 -7.101 523 HB3 ALA 87 3HB ALA 87 -15.664 7.054 -5.826 524 H SER 88 H SER 88 -11.820 5.718 -6.312 525 HA SER 88 HA SER 88 -12.910 3.055 -5.545 526 HB2 SER 88 1HB SER 88 -10.512 3.864 -7.219 527 HB3 SER 88 2HB SER 88 -11.047 2.200 -6.919 528 HG SER 88 HG SER 88 -12.596 4.236 -8.203 529 H ALA 89 H ALA 89 -10.254 5.235 -4.596 530 HA ALA 89 HA ALA 89 -8.956 3.260 -2.875 531 HB1 ALA 89 1HB ALA 89 -7.720 5.118 -3.920 532 HB2 ALA 89 2HB ALA 89 -8.705 6.294 -3.019 533 HB3 ALA 89 3HB ALA 89 -7.615 5.192 -2.153 534 H GLU 90 H GLU 90 -11.273 5.941 -2.364 535 HA GLU 90 HA GLU 90 -11.621 5.678 0.448 536 HB2 GLU 90 1HB GLU 90 -13.494 6.493 -1.807 537 HB3 GLU 90 2HB GLU 90 -13.989 6.554 -0.121 538 HG2 GLU 90 1HG GLU 90 -11.504 8.006 -1.109 539 HG3 GLU 90 2HG GLU 90 -13.116 8.704 -1.190 540 H ARG 91 H ARG 91 -12.957 3.719 -2.206 541 HA ARG 91 HA ARG 91 -14.695 2.136 -0.475 542 HB2 ARG 91 1HB ARG 91 -13.703 1.875 -3.320 543 HB3 ARG 91 2HB ARG 91 -14.621 0.572 -2.550 544 HG2 ARG 91 1HG ARG 91 -16.517 1.994 -2.151 545 HG3 ARG 91 2HG ARG 91 -15.635 3.439 -2.662 546 HD2 ARG 91 1HD ARG 91 -15.494 2.600 -4.966 547 HD3 ARG 91 2HD ARG 91 -16.205 1.059 -4.477 548 HE ARG 91 HE ARG 91 -18.294 1.967 -4.597 549 HH11 ARG 91 1HH1 ARG 91 -16.067 4.723 -4.419 550 HH12 ARG 91 2HH1 ARG 91 -17.362 5.873 -4.637 551 HH21 ARG 91 1HH2 ARG 91 -19.880 3.504 -4.909 552 HH22 ARG 91 2HH2 ARG 91 -19.475 5.192 -4.939 553 H ALA 92 H ALA 92 -11.278 1.906 -1.349 554 HA ALA 92 HA ALA 92 -10.999 -0.872 -0.536 555 HB1 ALA 92 1HB ALA 92 -9.613 0.218 -2.298 556 HB2 ALA 92 2HB ALA 92 -8.886 1.261 -1.053 557 HB3 ALA 92 3HB ALA 92 -8.642 -0.495 -0.998 558 H CYS 93 H CYS 93 -10.729 2.177 1.206 559 HA CYS 93 HA CYS 93 -9.223 1.061 3.403 560 HB2 CYS 93 1HB CYS 93 -9.400 3.224 4.380 561 HB3 CYS 93 2HB CYS 93 -9.188 3.452 2.641 562 HG CYS 93 HG CYS 93 -11.859 3.714 2.164 563 H LYS 94 H LYS 94 -12.384 0.403 2.674 564 HA LYS 94 HA LYS 94 -13.748 0.638 5.179 565 HB2 LYS 94 1HB LYS 94 -14.155 -0.785 2.552 566 HB3 LYS 94 2HB LYS 94 -15.062 -1.390 3.929 567 HG2 LYS 94 1HG LYS 94 -16.341 0.249 2.671 568 HG3 LYS 94 2HG LYS 94 -16.076 0.723 4.357 569 HD2 LYS 94 1HD LYS 94 -14.353 2.336 3.681 570 HD3 LYS 94 2HD LYS 94 -14.490 1.804 1.992 571 HE2 LYS 94 1HE LYS 94 -16.765 2.632 1.850 572 HE3 LYS 94 2HE LYS 94 -16.822 2.954 3.590 573 HZ1 LYS 94 3HZ LYS 94 -16.368 4.958 2.205 574 HZ2 LYS 94 1HZ LYS 94 -15.200 4.680 3.319 575 HZ3 LYS 94 2HZ LYS 94 -14.923 4.299 1.758 576 H ASP 95 H ASP 95 -11.557 -1.804 4.101 577 HA ASP 95 HA ASP 95 -11.752 -3.074 6.799 578 HB2 ASP 95 1HB ASP 95 -12.785 -4.512 5.075 579 HB3 ASP 95 2HB ASP 95 -11.222 -4.633 4.264 580 HA PRO 96 HA PRO 96 -7.450 -1.675 6.312 581 HB2 PRO 96 1HB PRO 96 -6.795 -1.362 8.928 582 HB3 PRO 96 2HB PRO 96 -7.876 -0.224 8.065 583 HG2 PRO 96 1HG PRO 96 -8.665 -2.552 9.849 584 HG3 PRO 96 2HG PRO 96 -9.267 -0.864 9.904 585 HD2 PRO 96 1HD PRO 96 -10.599 -2.875 8.604 586 HD3 PRO 96 2HD PRO 96 -10.615 -1.190 8.002 587 H ASN 97 H ASN 97 -8.671 -4.576 7.853 588 HA ASN 97 HA ASN 97 -6.009 -5.871 7.657 589 HB2 ASN 97 1HB ASN 97 -7.835 -6.183 10.061 590 HB3 ASN 97 2HB ASN 97 -6.279 -6.961 9.798 591 HD21 ASN 97 2HD2 ASN 97 -4.375 -5.277 9.404 592 HD22 ASN 97 1HD2 ASN 97 -4.392 -3.944 10.552 593 HA PRO 98 HA PRO 98 -9.572 -8.084 5.674 594 HB2 PRO 98 1HB PRO 98 -8.614 -8.293 3.118 595 HB3 PRO 98 2HB PRO 98 -9.382 -6.804 3.764 596 HG2 PRO 98 1HG PRO 98 -6.426 -7.468 3.557 597 HG3 PRO 98 2HG PRO 98 -7.262 -5.972 3.033 598 HD2 PRO 98 1HD PRO 98 -5.980 -6.152 5.422 599 HD3 PRO 98 2HD PRO 98 -7.505 -5.257 5.256 600 H ILE 99 H ILE 99 -6.383 -9.158 6.179 601 HA ILE 99 HA ILE 99 -5.342 -11.188 6.207 602 HB ILE 99 HB ILE 99 -7.965 -12.618 6.030 603 HG12 ILE 99 1HG1 ILE 99 -8.487 -10.951 7.656 604 HG13 ILE 99 2HG1 ILE 99 -8.214 -12.471 8.476 605 HG21 ILE 99 1HG2 ILE 99 -5.926 -14.006 6.062 606 HG22 ILE 99 2HG2 ILE 99 -5.358 -13.185 7.520 607 HG23 ILE 99 3HG2 ILE 99 -6.817 -14.194 7.571 608 HD11 ILE 99 3HD1 ILE 99 -7.243 -10.667 9.769 609 HD12 ILE 99 1HD1 ILE 99 -5.913 -11.652 9.136 610 HD13 ILE 99 2HD1 ILE 99 -6.330 -10.086 8.377 611 H ILE 100 H ILE 100 -4.824 -10.235 3.974 612 HA ILE 100 HA ILE 100 -5.885 -11.650 1.627 613 HB ILE 100 HB ILE 100 -3.643 -9.639 1.988 614 HG12 ILE 100 1HG1 ILE 100 -6.206 -9.384 0.355 615 HG13 ILE 100 2HG1 ILE 100 -6.193 -9.033 2.068 616 HG21 ILE 100 1HG2 ILE 100 -2.957 -11.093 0.129 617 HG22 ILE 100 2HG2 ILE 100 -4.573 -10.971 -0.604 618 HG23 ILE 100 3HG2 ILE 100 -3.503 -9.557 -0.519 619 HD11 ILE 100 3HD1 ILE 100 -5.913 -6.963 0.847 620 HD12 ILE 100 1HD1 ILE 100 -4.405 -7.316 1.711 621 HD13 ILE 100 2HD1 ILE 100 -4.522 -7.606 -0.041 622 H ASP 101 H ASP 101 -5.301 -13.544 0.960 623 HA ASP 101 HA ASP 101 -4.184 -15.406 0.448 624 HB2 ASP 101 1HB ASP 101 -2.690 -13.466 -0.435 625 HB3 ASP 101 2HB ASP 101 -1.576 -13.928 0.829 626 H GLY 102 H GLY 102 -4.475 -14.599 3.438 627 HA2 GLY 102 1HA GLY 102 -4.561 -16.123 5.225 628 HA3 GLY 102 2HA GLY 102 -3.270 -17.096 4.501 629 H ARG 103 H ARG 103 -3.234 -13.582 5.245 630 HA ARG 103 HA ARG 103 -1.777 -13.936 7.751 631 HB2 ARG 103 1HB ARG 103 0.034 -14.116 5.957 632 HB3 ARG 103 2HB ARG 103 -0.432 -12.505 5.423 633 HG2 ARG 103 1HG ARG 103 1.540 -12.283 6.707 634 HG3 ARG 103 2HG ARG 103 0.233 -11.595 7.669 635 HD2 ARG 103 1HD ARG 103 0.154 -13.629 9.056 636 HD3 ARG 103 2HD ARG 103 1.366 -14.390 8.013 637 HE ARG 103 HE ARG 103 2.046 -11.830 9.406 638 HH11 ARG 103 1HH1 ARG 103 2.592 -15.339 9.248 639 HH12 ARG 103 2HH1 ARG 103 4.039 -15.229 10.203 640 HH21 ARG 103 1HH2 ARG 103 3.947 -11.778 10.551 641 HH22 ARG 103 2HH2 ARG 103 4.792 -13.240 10.925 642 H LYS 104 H LYS 104 -2.014 -12.106 9.069 643 HA LYS 104 HA LYS 104 -4.156 -10.363 8.360 644 HB2 LYS 104 1HB LYS 104 -3.700 -11.091 10.655 645 HB3 LYS 104 2HB LYS 104 -2.216 -10.119 10.676 646 HG2 LYS 104 1HG LYS 104 -3.511 -8.049 10.423 647 HG3 LYS 104 2HG LYS 104 -4.993 -8.957 10.120 648 HD2 LYS 104 1HD LYS 104 -4.988 -8.044 12.373 649 HD3 LYS 104 2HD LYS 104 -4.999 -9.817 12.411 650 HE2 LYS 104 1HE LYS 104 -2.569 -9.842 12.841 651 HE3 LYS 104 2HE LYS 104 -2.509 -8.076 12.730 652 HZ1 LYS 104 3HZ LYS 104 -2.604 -8.820 15.038 653 HZ2 LYS 104 1HZ LYS 104 -3.957 -7.974 14.688 654 HZ3 LYS 104 2HZ LYS 104 -4.013 -9.607 14.786 655 H ALA 105 H ALA 105 -3.983 -9.070 6.704 656 HA ALA 105 HA ALA 105 -1.604 -7.550 6.088 657 HB1 ALA 105 1HB ALA 105 -2.967 -8.554 4.333 658 HB2 ALA 105 2HB ALA 105 -4.378 -7.595 4.833 659 HB3 ALA 105 3HB ALA 105 -2.949 -6.796 4.148 660 H ASN 106 H ASN 106 -1.978 -5.203 5.455 661 HA ASN 106 HA ASN 106 -3.396 -3.590 7.511 662 HB2 ASN 106 1HB ASN 106 -1.293 -4.191 8.547 663 HB3 ASN 106 2HB ASN 106 -0.411 -3.809 7.070 664 HD21 ASN 106 2HD2 ASN 106 0.884 -2.187 7.803 665 HD22 ASN 106 1HD2 ASN 106 0.272 -0.637 8.413 666 H VAL 107 H VAL 107 -4.611 -2.515 6.089 667 HA VAL 107 HA VAL 107 -3.468 -1.493 3.518 668 HB VAL 107 HB VAL 107 -6.355 -1.961 4.372 669 HG11 VAL 107 1HG1 VAL 107 -6.289 -0.133 2.729 670 HG12 VAL 107 2HG1 VAL 107 -5.205 -1.081 1.686 671 HG13 VAL 107 3HG1 VAL 107 -6.883 -1.598 1.949 672 HG21 VAL 107 3HG2 VAL 107 -6.295 -3.806 2.721 673 HG22 VAL 107 1HG2 VAL 107 -4.570 -3.497 2.450 674 HG23 VAL 107 2HG2 VAL 107 -5.135 -4.079 4.029 675 H ASN 108 H ASN 108 -3.056 0.610 3.320 676 HA ASN 108 HA ASN 108 -4.947 2.617 4.173 677 HB2 ASN 108 1HB ASN 108 -3.437 3.916 5.615 678 HB3 ASN 108 2HB ASN 108 -3.887 2.386 6.330 679 HD21 ASN 108 2HD2 ASN 108 -1.160 4.219 4.886 680 HD22 ASN 108 1HD2 ASN 108 0.044 3.200 5.670 681 H LEU 109 H LEU 109 -4.515 4.733 3.410 682 HA LEU 109 HA LEU 109 -3.150 5.045 0.909 683 HB2 LEU 109 1HB LEU 109 -4.042 7.021 3.049 684 HB3 LEU 109 2HB LEU 109 -3.373 7.519 1.502 685 HG LEU 109 HG LEU 109 -5.860 5.769 1.715 686 HD11 LEU 109 1HD1 LEU 109 -6.295 7.902 2.841 687 HD12 LEU 109 2HD1 LEU 109 -5.691 8.798 1.434 688 HD13 LEU 109 3HD1 LEU 109 -7.167 7.818 1.301 689 HD21 LEU 109 3HD2 LEU 109 -6.249 6.587 -0.612 690 HD22 LEU 109 1HD2 LEU 109 -4.679 7.416 -0.568 691 HD23 LEU 109 2HD2 LEU 109 -4.757 5.651 -0.480 692 H ALA 110 H ALA 110 -1.169 5.814 0.413 693 HA ALA 110 HA ALA 110 1.009 4.916 1.730 694 HB1 ALA 110 1HB ALA 110 0.961 5.616 -0.581 695 HB2 ALA 110 2HB ALA 110 0.923 7.330 -0.120 696 HB3 ALA 110 3HB ALA 110 2.361 6.336 0.238 697 H TYR 111 H TYR 111 1.326 8.482 1.677 698 HA TYR 111 HA TYR 111 2.957 9.203 3.447 699 HB2 TYR 111 1HB TYR 111 1.924 11.254 3.543 700 HB3 TYR 111 2HB TYR 111 1.426 10.533 2.037 701 HD1 TYR 111 1HD TYR 111 -0.958 9.238 2.122 702 HD2 TYR 111 2HD TYR 111 0.326 12.285 4.898 703 HE1 TYR 111 1HE TYR 111 -3.317 9.664 2.753 704 HE2 TYR 111 2HE TYR 111 -2.043 12.766 5.463 705 HH TYR 111 HH TYR 111 -4.249 12.216 5.095 706 H LEU 112 H LEU 112 0.926 7.092 5.261 707 HA LEU 112 HA LEU 112 0.548 8.908 7.540 708 HB2 LEU 112 1HB LEU 112 -0.240 5.975 7.423 709 HB3 LEU 112 2HB LEU 112 -0.859 7.253 8.460 710 HG LEU 112 HG LEU 112 -1.333 6.789 5.521 711 HD11 LEU 112 1HD1 LEU 112 -2.730 5.522 7.137 712 HD12 LEU 112 2HD1 LEU 112 -3.311 7.065 7.803 713 HD13 LEU 112 3HD1 LEU 112 -3.667 6.638 6.113 714 HD21 LEU 112 3HD2 LEU 112 -2.811 8.790 5.541 715 HD22 LEU 112 1HD2 LEU 112 -2.049 9.271 7.083 716 HD23 LEU 112 2HD2 LEU 112 -1.081 9.115 5.591 717 H GLY 113 H GLY 113 1.666 5.509 7.561 718 HA2 GLY 113 1HA GLY 113 3.636 6.046 9.700 719 HA3 GLY 113 2HA GLY 113 3.196 4.470 8.987 720 H ALA 114 H ALA 114 3.813 6.861 6.653 721 HA ALA 114 HA ALA 114 5.966 5.483 5.461 722 HB1 ALA 114 1HB ALA 114 4.370 6.909 4.231 723 HB2 ALA 114 2HB ALA 114 4.995 8.352 5.071 724 HB3 ALA 114 3HB ALA 114 6.035 7.446 3.953 725 H LYS 115 H LYS 115 8.124 5.689 5.508 726 HA LYS 115 HA LYS 115 9.223 6.939 7.927 727 HB2 LYS 115 1HB LYS 115 10.465 5.036 5.899 728 HB3 LYS 115 2HB LYS 115 11.179 5.487 7.442 729 HG2 LYS 115 1HG LYS 115 8.604 3.891 7.054 730 HG3 LYS 115 2HG LYS 115 10.191 3.271 7.508 731 HD2 LYS 115 1HD LYS 115 10.115 4.541 9.633 732 HD3 LYS 115 2HD LYS 115 8.540 5.205 9.186 733 HE2 LYS 115 1HE LYS 115 8.247 3.393 10.769 734 HE3 LYS 115 2HE LYS 115 7.519 2.983 9.213 735 HZ1 LYS 115 3HZ LYS 115 8.856 1.154 10.258 736 HZ2 LYS 115 1HZ LYS 115 9.319 1.539 8.732 737 HZ3 LYS 115 2HZ LYS 115 10.209 2.042 10.027 738 HA PRO 116 HA PRO 116 11.409 10.184 5.750 739 HB2 PRO 116 1HB PRO 116 13.338 10.876 7.537 740 HB3 PRO 116 2HB PRO 116 11.598 11.176 7.836 741 HG2 PRO 116 1HG PRO 116 13.291 8.870 8.842 742 HG3 PRO 116 2HG PRO 116 12.162 9.904 9.775 743 HD2 PRO 116 1HD PRO 116 11.455 7.447 8.783 744 HD3 PRO 116 2HD PRO 116 10.280 8.790 8.904 745 H ARG 117 H ARG 117 13.088 10.365 4.330 746 HA ARG 117 HA ARG 117 15.562 8.884 4.545 747 HB2 ARG 117 1HB ARG 117 15.404 7.454 2.643 748 HB3 ARG 117 2HB ARG 117 14.134 7.053 3.766 749 HG2 ARG 117 1HG ARG 117 13.730 8.674 1.206 750 HG3 ARG 117 2HG ARG 117 13.483 6.938 1.383 751 HD2 ARG 117 1HD ARG 117 11.825 7.473 3.240 752 HD3 ARG 117 2HD ARG 117 11.868 9.155 2.698 753 HE ARG 117 HE ARG 117 10.508 6.909 1.514 754 HH11 ARG 117 1HH1 ARG 117 11.862 10.066 0.622 755 HH12 ARG 117 2HH1 ARG 117 10.921 10.146 -0.837 756 HH21 ARG 117 1HH2 ARG 117 9.438 7.015 -0.416 757 HH22 ARG 117 2HH2 ARG 117 9.535 8.454 -1.402 758 H THR 118 H THR 118 14.495 11.682 4.012 759 HA THR 118 HA THR 118 15.408 12.377 1.319 760 HB THR 118 HB THR 118 14.503 14.185 3.591 761 HG1 THR 118 1HG THR 118 12.506 14.010 2.503 762 HG21 THR 118 3HG2 THR 118 13.939 15.731 1.722 763 HG22 THR 118 1HG2 THR 118 15.676 15.407 1.779 764 HG23 THR 118 2HG2 THR 118 14.664 14.598 0.560 765 H ASN 119 H ASN 119 17.550 11.946 1.172 766 HA ASN 119 HA ASN 119 19.442 12.752 3.228 767 HB2 ASN 119 1HB ASN 119 19.827 11.467 0.500 768 HB3 ASN 119 2HB ASN 119 21.091 11.648 1.713 769 HD21 ASN 119 2HD2 ASN 119 19.724 9.186 0.482 770 HD22 ASN 119 1HD2 ASN 119 19.257 8.252 1.891 771 H VAL 120 H VAL 120 18.141 14.508 0.701 772 HA VAL 120 HA VAL 120 19.962 16.721 1.050 773 HB VAL 120 HB VAL 120 21.273 15.448 -0.590 774 HG11 VAL 120 1HG1 VAL 120 19.456 14.229 -1.769 775 HG12 VAL 120 2HG1 VAL 120 18.958 15.750 -2.546 776 HG13 VAL 120 3HG1 VAL 120 20.557 15.062 -2.874 777 HG21 VAL 120 3HG2 VAL 120 21.673 17.217 -2.185 778 HG22 VAL 120 1HG2 VAL 120 20.086 17.939 -1.867 779 HG23 VAL 120 2HG2 VAL 120 21.332 17.926 -0.598 780 H GLN 121 H GLN 121 18.980 18.628 0.622 781 HA GLN 121 HA GLN 121 16.611 19.048 -0.946 782 HB2 GLN 121 1HB GLN 121 15.046 19.491 0.911 783 HB3 GLN 121 2HB GLN 121 15.468 17.793 0.768 784 HG2 GLN 121 1HG GLN 121 17.091 18.050 2.662 785 HG3 GLN 121 2HG GLN 121 16.605 19.737 2.833 786 HE21 GLN 121 2HE2 GLN 121 16.210 16.918 4.397 787 HE22 GLN 121 1HE2 GLN 121 14.548 17.112 4.937 788 H5' G 7 H5' G 7 4.834 -10.687 12.424 789 H5'' G 7 H5" G 7 5.493 -9.067 12.209 790 H4' G 7 H4' G 7 7.249 -10.765 12.741 791 H3' G 7 H3' G 7 7.304 -9.084 10.288 792 H2' G 7 H2' G 7 8.426 -10.562 8.978 793 HO2' G 7 2HO G 7 10.188 -10.193 10.888 794 H1' G 7 H1' G 7 8.612 -12.784 10.886 795 H8 G 7 8H G 7 8.550 -14.797 9.402 796 H1 G 7 1H G 7 4.431 -12.113 5.225 797 H21 G 7 1H2 G 7 4.008 -10.091 5.815 798 H22 G 7 2H2 G 7 4.697 -9.397 7.290 799 HO5' G 7 H5T G 7 5.435 -10.450 9.828 800 H5' U 8 H5' U 8 8.263 -6.816 9.916 801 H5'' U 8 H5" U 8 9.257 -5.900 11.056 802 H4' U 8 H4' U 8 8.071 -4.343 9.713 803 H3' U 8 H3' U 8 7.884 -4.259 12.490 804 H2' U 8 H2' U 8 5.734 -5.145 12.577 805 HO2' U 8 2HO U 8 5.587 -2.340 12.358 806 H1' U 8 H1' U 8 4.997 -3.582 10.078 807 H3 U 8 3H U 8 0.726 -5.037 11.062 808 H5 U 8 5H U 8 3.023 -8.499 11.528 809 H6 U 8 6H U 8 5.030 -7.199 10.965 810 H5' G 9 H5' G 9 9.793 -0.914 8.616 811 H5'' G 9 H5" G 9 8.154 -1.532 8.790 812 H4' G 9 H4' G 9 10.487 -2.862 7.349 813 H3' G 9 H3' G 9 7.930 -1.479 6.502 814 H2' G 9 H2' G 9 7.818 -2.905 4.612 815 HO2' G 9 2HO G 9 10.230 -2.787 4.349 816 H1' G 9 H1' G 9 8.525 -5.203 5.941 817 H8 G 9 8H G 9 6.274 -6.223 5.389 818 H1 G 9 1H G 9 2.958 -1.530 8.319 819 H21 G 9 1H2 G 9 4.415 -0.058 9.204 820 H22 G 9 2H2 G 9 6.133 -0.310 8.956 821 H5' U 10 H5' U 10 7.643 -0.493 3.290 822 H5'' U 10 H5" U 10 9.247 0.200 3.086 823 H4' U 10 H4' U 10 7.775 1.142 1.449 824 H3' U 10 H3' U 10 9.351 2.776 2.965 825 H2' U 10 H2' U 10 7.615 3.137 4.625 826 HO2' U 10 2HO U 10 8.302 5.201 3.111 827 H1' U 10 H1' U 10 5.812 3.632 2.241 828 H3 U 10 3H U 10 1.955 4.498 4.456 829 H5 U 10 5H U 10 4.025 2.068 7.161 830 H6 U 10 6H U 10 5.884 1.920 5.576 831 H5' G 11 H5' G 11 11.951 2.935 -0.754 832 H5'' G 11 H5" G 11 10.435 3.527 -1.429 833 H4' G 11 H4' G 11 10.471 1.245 0.564 834 H3' G 11 H3' G 11 11.937 0.976 -1.754 835 H2' G 11 H2' G 11 10.233 1.740 -3.152 836 HO2' G 11 2HO G 11 9.282 -0.110 -4.217 837 H1' G 11 H1' G 11 8.083 0.062 -1.769 838 H8 G 11 8H G 11 7.358 3.506 -1.448 839 H1 G 11 1H G 11 5.850 1.697 -7.444 840 H21 G 11 1H2 G 11 6.907 -0.249 -7.888 841 H22 G 11 2H2 G 11 7.889 -1.003 -6.643 842 H5' C 12 H5' C 12 12.297 -3.302 -2.191 843 H5'' C 12 H5" C 12 11.869 -3.677 -0.524 844 H4' C 12 H4' C 12 13.350 -5.365 -1.017 845 H3' C 12 H3' C 12 14.184 -3.620 0.918 846 HO3' C 12 H3T C 12 15.795 -5.789 -0.041 847 H2' C 12 H2' C 12 15.496 -2.212 -0.342 848 HO2' C 12 2HO C 12 17.741 -2.879 -0.308 849 H1' C 12 H1' C 12 16.686 -4.287 -2.120 850 H41 C 12 1H4 C 12 17.263 1.447 -4.848 851 H42 C 12 2H4 C 12 15.664 1.285 -5.576 852 H5 C 12 5H C 12 14.212 -0.594 -5.057 853 H6 C 12 6H C 12 13.990 -2.609 -3.729 Start of MODEL 4 1 H1 GLY 19 1H GLY 19 -13.024 12.900 18.267 2 H2 GLY 19 2H GLY 19 -11.862 14.054 18.269 3 H3 GLY 19 3H GLY 19 -12.704 13.742 16.898 4 HA2 GLY 19 1HA GLY 19 -11.763 11.534 16.744 5 HA3 GLY 19 2HA GLY 19 -10.509 12.787 16.727 6 H SER 20 H SER 20 -10.044 10.064 17.459 7 HA SER 20 HA SER 20 -9.941 9.860 20.384 8 HB2 SER 20 1HB SER 20 -8.955 7.637 19.855 9 HB3 SER 20 2HB SER 20 -10.520 7.925 19.079 10 HG SER 20 HG SER 20 -8.966 7.016 17.619 11 H THR 21 H THR 21 -7.855 11.252 18.092 12 HA THR 21 HA THR 21 -5.713 11.738 19.964 13 HB THR 21 HB THR 21 -5.228 9.386 19.276 14 HG1 THR 21 1HG THR 21 -3.064 9.840 18.982 15 HG21 THR 21 3HG2 THR 21 -4.295 8.923 17.077 16 HG22 THR 21 1HG2 THR 21 -5.958 9.498 16.896 17 HG23 THR 21 2HG2 THR 21 -4.598 10.587 16.543 18 H ASN 22 H ASN 22 -3.793 12.718 18.570 19 HA ASN 22 HA ASN 22 -4.879 15.145 17.466 20 HB2 ASN 22 1HB ASN 22 -2.608 15.887 17.299 21 HB3 ASN 22 2HB ASN 22 -2.807 15.033 18.821 22 HD21 ASN 22 2HD2 ASN 22 -1.555 13.102 19.177 23 HD22 ASN 22 1HD2 ASN 22 -0.366 12.556 18.011 24 H ALA 23 H ALA 23 -4.419 16.106 15.409 25 HA ALA 23 HA ALA 23 -3.731 14.512 13.070 26 HB1 ALA 23 1HB ALA 23 -6.047 13.719 13.528 27 HB2 ALA 23 2HB ALA 23 -6.625 15.400 13.520 28 HB3 ALA 23 3HB ALA 23 -5.985 14.663 12.035 29 H GLU 24 H GLU 24 -4.240 15.835 11.028 30 HA GLU 24 HA GLU 24 -4.082 18.767 11.405 31 HB2 GLU 24 1HB GLU 24 -2.071 17.088 9.844 32 HB3 GLU 24 2HB GLU 24 -2.238 18.838 9.691 33 HG2 GLU 24 1HG GLU 24 -1.743 19.082 12.132 34 HG3 GLU 24 2HG GLU 24 -1.448 17.341 12.221 35 HA PRO 25 HA PRO 25 -6.952 18.550 8.090 36 HB2 PRO 25 1HB PRO 25 -6.888 21.067 7.017 37 HB3 PRO 25 2HB PRO 25 -7.508 20.716 8.659 38 HG2 PRO 25 1HG PRO 25 -4.738 21.691 7.888 39 HG3 PRO 25 2HG PRO 25 -5.830 22.344 9.152 40 HD2 PRO 25 1HD PRO 25 -3.834 20.592 9.749 41 HD3 PRO 25 2HD PRO 25 -5.412 20.519 10.588 42 H VAL 26 H VAL 26 -7.115 17.985 5.995 43 HA VAL 26 HA VAL 26 -5.134 18.678 3.951 44 HB VAL 26 HB VAL 26 -4.870 16.355 3.170 45 HG11 VAL 26 1HG1 VAL 26 -3.078 17.417 4.505 46 HG12 VAL 26 2HG1 VAL 26 -3.743 16.656 5.972 47 HG13 VAL 26 3HG1 VAL 26 -3.112 15.653 4.655 48 HG21 VAL 26 3HG2 VAL 26 -5.269 14.426 4.638 49 HG22 VAL 26 1HG2 VAL 26 -6.033 15.475 5.847 50 HG23 VAL 26 2HG2 VAL 26 -6.785 15.244 4.252 51 H VAL 27 H VAL 27 -5.929 18.266 1.807 52 HA VAL 27 HA VAL 27 -8.788 17.556 1.492 53 HB VAL 27 HB VAL 27 -9.297 19.537 0.169 54 HG11 VAL 27 1HG1 VAL 27 -9.855 19.548 2.577 55 HG12 VAL 27 2HG1 VAL 27 -8.325 20.392 2.921 56 HG13 VAL 27 3HG1 VAL 27 -9.571 21.170 1.927 57 HG21 VAL 27 3HG2 VAL 27 -7.859 21.540 0.162 58 HG22 VAL 27 1HG2 VAL 27 -6.578 20.639 1.002 59 HG23 VAL 27 2HG2 VAL 27 -7.076 20.175 -0.643 60 H GLY 28 H GLY 28 -9.420 17.300 -0.764 61 HA2 GLY 28 1HA GLY 28 -7.498 15.724 -2.208 62 HA3 GLY 28 2HA GLY 28 -9.134 16.149 -2.746 63 H SER 29 H SER 29 -5.799 16.830 -2.947 64 HA SER 29 HA SER 29 -5.989 18.292 -5.450 65 HB2 SER 29 1HB SER 29 -4.947 20.382 -4.696 66 HB3 SER 29 2HB SER 29 -6.541 20.163 -3.970 67 HG SER 29 HG SER 29 -4.963 20.866 -2.437 68 H ARG 30 H ARG 30 -3.905 17.468 -2.654 69 HA ARG 30 HA ARG 30 -1.430 17.493 -4.071 70 HB2 ARG 30 1HB ARG 30 -2.229 16.006 -1.535 71 HB3 ARG 30 2HB ARG 30 -0.579 16.171 -2.155 72 HG2 ARG 30 1HG ARG 30 -0.842 18.687 -2.040 73 HG3 ARG 30 2HG ARG 30 -2.418 18.444 -1.277 74 HD2 ARG 30 1HD ARG 30 -0.835 18.876 0.470 75 HD3 ARG 30 2HD ARG 30 -1.314 17.189 0.572 76 HE ARG 30 HE ARG 30 0.843 16.519 0.035 77 HH11 ARG 30 1HH1 ARG 30 0.664 20.001 -0.573 78 HH12 ARG 30 2HH1 ARG 30 2.385 20.141 -0.782 79 HH21 ARG 30 1HH2 ARG 30 3.048 16.772 -0.256 80 HH22 ARG 30 2HH2 ARG 30 3.707 18.340 -0.608 81 H ASP 31 H ASP 31 -0.486 16.100 -5.380 82 HA ASP 31 HA ASP 31 -1.877 13.900 -6.534 83 HB2 ASP 31 1HB ASP 31 -0.243 15.362 -7.694 84 HB3 ASP 31 2HB ASP 31 1.060 14.675 -6.722 85 H THR 32 H THR 32 -1.625 11.747 -6.411 86 HA THR 32 HA THR 32 -1.420 9.683 -5.600 87 HB THR 32 HB THR 32 0.598 8.798 -4.761 88 HG1 THR 32 1HG THR 32 1.245 11.480 -4.233 89 HG21 THR 32 3HG2 THR 32 2.179 9.415 -6.469 90 HG22 THR 32 1HG2 THR 32 0.551 9.407 -7.170 91 HG23 THR 32 2HG2 THR 32 1.345 10.949 -6.775 92 H MET 33 H MET 33 -1.129 12.145 -3.162 93 HA MET 33 HA MET 33 -1.129 10.677 -0.827 94 HB2 MET 33 1HB MET 33 -0.842 13.105 -1.028 95 HB3 MET 33 2HB MET 33 -2.558 13.307 -1.391 96 HG2 MET 33 1HG MET 33 -3.192 12.571 0.816 97 HG3 MET 33 2HG MET 33 -1.553 12.066 1.196 98 HE1 MET 33 3HE MET 33 0.348 15.225 2.074 99 HE2 MET 33 1HE MET 33 0.202 13.470 2.260 100 HE3 MET 33 2HE MET 33 0.462 14.162 0.647 101 H PHE 34 H PHE 34 -3.876 10.966 -2.952 102 HA PHE 34 HA PHE 34 -5.599 9.535 -0.970 103 HB2 PHE 34 1HB PHE 34 -6.524 11.485 -3.087 104 HB3 PHE 34 2HB PHE 34 -7.475 10.761 -1.782 105 HD1 PHE 34 2HD PHE 34 -6.854 11.333 0.648 106 HD2 PHE 34 1HD PHE 34 -5.418 13.546 -2.760 107 HE1 PHE 34 2HE PHE 34 -6.219 13.220 2.142 108 HE2 PHE 34 1HE PHE 34 -4.741 15.410 -1.258 109 HZ PHE 34 HZ PHE 34 -5.154 15.255 1.182 110 H THR 35 H THR 35 -3.854 8.710 -3.517 111 HA THR 35 HA THR 35 -5.866 6.757 -4.565 112 HB THR 35 HB THR 35 -4.753 7.021 -6.821 113 HG1 THR 35 1HG THR 35 -3.731 9.026 -7.153 114 HG21 THR 35 3HG2 THR 35 -6.107 8.948 -7.480 115 HG22 THR 35 1HG2 THR 35 -7.001 7.903 -6.369 116 HG23 THR 35 2HG2 THR 35 -6.305 9.432 -5.780 117 H LYS 36 H LYS 36 -2.526 7.400 -3.708 118 HA LYS 36 HA LYS 36 -1.625 4.702 -4.480 119 HB2 LYS 36 1HB LYS 36 -0.213 6.677 -4.836 120 HB3 LYS 36 2HB LYS 36 -0.271 7.050 -3.103 121 HG2 LYS 36 1HG LYS 36 0.906 4.902 -2.623 122 HG3 LYS 36 2HG LYS 36 1.030 4.598 -4.364 123 HD2 LYS 36 1HD LYS 36 2.399 6.570 -4.686 124 HD3 LYS 36 2HD LYS 36 2.087 7.140 -3.032 125 HE2 LYS 36 1HE LYS 36 3.280 5.219 -2.089 126 HE3 LYS 36 2HE LYS 36 3.533 4.544 -3.703 127 HZ1 LYS 36 3HZ LYS 36 5.480 5.709 -2.914 128 HZ2 LYS 36 1HZ LYS 36 4.894 6.454 -4.237 129 HZ3 LYS 36 2HZ LYS 36 4.657 7.124 -2.751 130 H ILE 37 H ILE 37 -1.533 3.026 -3.164 131 HA ILE 37 HA ILE 37 -2.206 3.265 -0.253 132 HB ILE 37 HB ILE 37 -3.083 1.031 -2.116 133 HG12 ILE 37 1HG1 ILE 37 -4.811 3.419 -1.343 134 HG13 ILE 37 2HG1 ILE 37 -4.125 3.158 -2.948 135 HG21 ILE 37 1HG2 ILE 37 -2.976 0.671 0.388 136 HG22 ILE 37 2HG2 ILE 37 -4.202 1.941 0.562 137 HG23 ILE 37 3HG2 ILE 37 -4.574 0.440 -0.310 138 HD11 ILE 37 3HD1 ILE 37 -6.405 2.461 -2.995 139 HD12 ILE 37 1HD1 ILE 37 -5.378 1.029 -3.161 140 HD13 ILE 37 2HD1 ILE 37 -6.184 1.383 -1.611 141 H PHE 38 H PHE 38 -0.684 2.469 0.998 142 HA PHE 38 HA PHE 38 1.338 0.499 0.068 143 HB2 PHE 38 1HB PHE 38 2.256 2.319 1.346 144 HB3 PHE 38 2HB PHE 38 0.972 2.238 2.529 145 HD1 PHE 38 1HD PHE 38 0.895 0.581 4.253 146 HD2 PHE 38 2HD PHE 38 4.265 0.729 1.515 147 HE1 PHE 38 1HE PHE 38 2.185 -0.919 5.752 148 HE2 PHE 38 2HE PHE 38 5.556 -0.641 3.110 149 HZ PHE 38 HZ PHE 38 4.531 -1.548 5.152 150 H VAL 39 H VAL 39 1.164 -1.633 0.641 151 HA VAL 39 HA VAL 39 -1.040 -2.473 2.490 152 HB VAL 39 HB VAL 39 -0.557 -3.667 -0.274 153 HG11 VAL 39 1HG1 VAL 39 -1.281 -5.422 1.175 154 HG12 VAL 39 2HG1 VAL 39 -2.399 -4.372 2.046 155 HG13 VAL 39 3HG1 VAL 39 -2.760 -4.871 0.384 156 HG21 VAL 39 3HG2 VAL 39 -2.761 -2.811 -0.860 157 HG22 VAL 39 1HG2 VAL 39 -2.900 -1.999 0.721 158 HG23 VAL 39 2HG2 VAL 39 -1.682 -1.484 -0.471 159 H GLY 40 H GLY 40 0.326 -3.085 4.108 160 HA2 GLY 40 1HA GLY 40 2.368 -5.202 3.498 161 HA3 GLY 40 2HA GLY 40 2.454 -4.137 4.887 162 H GLY 41 H GLY 41 2.841 -6.396 5.723 163 HA2 GLY 41 1HA GLY 41 2.130 -8.149 7.055 164 HA3 GLY 41 2HA GLY 41 0.474 -7.496 7.012 165 H LEU 42 H LEU 42 1.971 -8.111 3.967 166 HA LEU 42 HA LEU 42 0.040 -10.173 3.244 167 HB2 LEU 42 1HB LEU 42 2.487 -9.044 1.802 168 HB3 LEU 42 2HB LEU 42 1.325 -10.148 1.079 169 HG LEU 42 HG LEU 42 0.680 -7.326 2.049 170 HD11 LEU 42 1HD1 LEU 42 2.156 -7.397 0.050 171 HD12 LEU 42 2HD1 LEU 42 0.978 -8.430 -0.780 172 HD13 LEU 42 3HD1 LEU 42 0.547 -6.765 -0.332 173 HD21 LEU 42 3HD2 LEU 42 -1.465 -7.702 0.778 174 HD22 LEU 42 1HD2 LEU 42 -1.012 -9.407 0.588 175 HD23 LEU 42 2HD2 LEU 42 -1.313 -8.729 2.205 176 HA PRO 43 HA PRO 43 2.834 -13.585 4.203 177 HB2 PRO 43 1HB PRO 43 1.699 -15.618 2.837 178 HB3 PRO 43 2HB PRO 43 0.950 -14.923 4.301 179 HG2 PRO 43 1HG PRO 43 0.264 -14.357 1.412 180 HG3 PRO 43 2HG PRO 43 -0.848 -14.641 2.786 181 HD2 PRO 43 1HD PRO 43 -0.154 -12.117 1.870 182 HD3 PRO 43 2HD PRO 43 -0.619 -12.452 3.551 183 H TYR 44 H TYR 44 4.688 -14.398 3.193 184 HA TYR 44 HA TYR 44 5.675 -12.868 1.077 185 HB2 TYR 44 1HB TYR 44 6.660 -15.538 2.136 186 HB3 TYR 44 2HB TYR 44 7.603 -14.479 1.107 187 HD1 TYR 44 1HD TYR 44 6.856 -11.775 2.502 188 HD2 TYR 44 2HD TYR 44 8.175 -15.621 3.953 189 HE1 TYR 44 1HE TYR 44 7.956 -10.673 4.429 190 HE2 TYR 44 2HE TYR 44 9.276 -14.509 5.883 191 HH TYR 44 HH TYR 44 9.243 -10.948 6.310 192 H HIS 45 H HIS 45 3.773 -15.716 0.619 193 HA HIS 45 HA HIS 45 4.805 -16.253 -2.079 194 HB2 HIS 45 1HB HIS 45 3.228 -18.052 -2.119 195 HB3 HIS 45 2HB HIS 45 4.058 -18.056 -0.569 196 HD2 HIS 45 2HD HIS 45 0.609 -17.388 -2.156 197 HE1 HIS 45 1HE HIS 45 -0.008 -17.523 2.050 198 HE2 HIS 45 2HE HIS 45 -1.162 -17.406 -0.216 199 H THR 46 H THR 46 2.824 -13.817 -0.962 200 HA THR 46 HA THR 46 0.780 -13.667 -3.012 201 HB THR 46 HB THR 46 1.994 -11.395 -1.378 202 HG1 THR 46 1HG THR 46 1.201 -12.853 0.026 203 HG21 THR 46 3HG2 THR 46 -0.219 -10.342 -1.685 204 HG22 THR 46 1HG2 THR 46 0.550 -10.611 -3.256 205 HG23 THR 46 2HG2 THR 46 -0.744 -11.696 -2.698 206 H SER 47 H SER 47 1.003 -13.102 -5.116 207 HA SER 47 HA SER 47 3.529 -11.849 -6.048 208 HB2 SER 47 1HB SER 47 2.925 -12.539 -8.228 209 HB3 SER 47 2HB SER 47 2.655 -13.919 -7.159 210 HG SER 47 HG SER 47 0.919 -13.620 -8.619 211 H ASP 48 H ASP 48 3.360 -10.213 -7.751 212 HA ASP 48 HA ASP 48 1.993 -7.843 -7.082 213 HB2 ASP 48 1HB ASP 48 2.888 -8.731 -9.856 214 HB3 ASP 48 2HB ASP 48 2.716 -7.080 -9.279 215 H LYS 49 H LYS 49 1.022 -10.518 -9.213 216 HA LYS 49 HA LYS 49 -1.426 -9.180 -10.092 217 HB2 LYS 49 1HB LYS 49 0.014 -10.706 -11.521 218 HB3 LYS 49 2HB LYS 49 -0.524 -12.054 -10.524 219 HG2 LYS 49 1HG LYS 49 -1.810 -12.009 -12.553 220 HG3 LYS 49 2HG LYS 49 -2.883 -11.590 -11.218 221 HD2 LYS 49 1HD LYS 49 -2.789 -9.199 -11.854 222 HD3 LYS 49 2HD LYS 49 -1.539 -9.556 -13.051 223 HE2 LYS 49 1HE LYS 49 -3.564 -9.299 -14.260 224 HE3 LYS 49 2HE LYS 49 -3.180 -11.022 -14.269 225 HZ1 LYS 49 3HZ LYS 49 -5.519 -10.620 -13.786 226 HZ2 LYS 49 1HZ LYS 49 -4.826 -11.332 -12.490 227 HZ3 LYS 49 2HZ LYS 49 -5.153 -9.716 -12.474 228 H THR 50 H THR 50 -0.564 -11.541 -7.593 229 HA THR 50 HA THR 50 -3.247 -12.383 -6.887 230 HB THR 50 HB THR 50 -0.809 -12.118 -5.082 231 HG1 THR 50 1HG THR 50 -0.465 -13.519 -6.856 232 HG21 THR 50 3HG2 THR 50 -1.930 -13.906 -3.759 233 HG22 THR 50 1HG2 THR 50 -2.875 -12.413 -3.763 234 HG23 THR 50 2HG2 THR 50 -3.362 -13.770 -4.801 235 H LEU 51 H LEU 51 -1.179 -9.669 -5.774 236 HA LEU 51 HA LEU 51 -3.166 -8.598 -4.009 237 HB2 LEU 51 1HB LEU 51 -0.663 -8.187 -3.947 238 HB3 LEU 51 2HB LEU 51 -0.829 -7.213 -5.403 239 HG LEU 51 HG LEU 51 -2.352 -5.650 -4.119 240 HD11 LEU 51 1HD1 LEU 51 -3.156 -7.138 -2.348 241 HD12 LEU 51 2HD1 LEU 51 -1.498 -7.368 -1.747 242 HD13 LEU 51 3HD1 LEU 51 -2.283 -5.779 -1.638 243 HD21 LEU 51 3HD2 LEU 51 -0.497 -4.630 -2.805 244 HD22 LEU 51 1HD2 LEU 51 0.454 -6.111 -3.027 245 HD23 LEU 51 2HD2 LEU 51 -0.009 -5.122 -4.436 246 H HIS 52 H HIS 52 -2.443 -7.885 -7.435 247 HA HIS 52 HA HIS 52 -4.327 -5.785 -7.803 248 HB2 HIS 52 1HB HIS 52 -2.571 -6.441 -9.430 249 HB3 HIS 52 2HB HIS 52 -3.379 -7.974 -9.700 250 HD2 HIS 52 2HD HIS 52 -3.512 -4.323 -10.772 251 HE1 HIS 52 1HE HIS 52 -6.620 -6.308 -12.883 252 HE2 HIS 52 2HE HIS 52 -5.285 -4.155 -12.699 253 H GLU 53 H GLU 53 -4.709 -9.304 -7.815 254 HA GLU 53 HA GLU 53 -7.475 -9.288 -8.697 255 HB2 GLU 53 1HB GLU 53 -5.523 -11.391 -7.759 256 HB3 GLU 53 2HB GLU 53 -7.245 -11.782 -7.967 257 HG2 GLU 53 1HG GLU 53 -7.201 -11.003 -10.284 258 HG3 GLU 53 2HG GLU 53 -5.520 -10.503 -10.123 259 H TYR 54 H TYR 54 -6.105 -8.675 -5.591 260 HA TYR 54 HA TYR 54 -8.696 -9.309 -4.266 261 HB2 TYR 54 1HB TYR 54 -6.552 -9.815 -3.089 262 HB3 TYR 54 2HB TYR 54 -6.200 -8.085 -3.046 263 HD1 TYR 54 2HD TYR 54 -8.570 -10.737 -1.941 264 HD2 TYR 54 1HD TYR 54 -7.389 -6.615 -1.479 265 HE1 TYR 54 2HE TYR 54 -10.192 -10.483 -0.070 266 HE2 TYR 54 1HE TYR 54 -9.008 -6.355 0.386 267 HH TYR 54 HH TYR 54 -10.714 -7.354 1.596 268 H PHE 55 H PHE 55 -6.699 -6.467 -5.190 269 HA PHE 55 HA PHE 55 -8.586 -4.621 -4.007 270 HB2 PHE 55 1HB PHE 55 -6.013 -4.345 -5.542 271 HB3 PHE 55 2HB PHE 55 -7.049 -2.943 -5.327 272 HD1 PHE 55 1HD PHE 55 -5.455 -5.708 -3.304 273 HD2 PHE 55 2HD PHE 55 -6.917 -1.649 -3.382 274 HE1 PHE 55 1HE PHE 55 -4.718 -5.394 -0.965 275 HE2 PHE 55 2HE PHE 55 -6.153 -1.340 -1.040 276 HZ PHE 55 HZ PHE 55 -5.092 -3.221 0.179 277 H GLU 56 H GLU 56 -8.598 -6.102 -7.126 278 HA GLU 56 HA GLU 56 -9.891 -3.995 -8.525 279 HB2 GLU 56 1HB GLU 56 -10.384 -5.643 -10.245 280 HB3 GLU 56 2HB GLU 56 -8.729 -5.708 -9.680 281 HG2 GLU 56 1HG GLU 56 -9.261 -7.935 -9.910 282 HG3 GLU 56 2HG GLU 56 -9.445 -7.685 -8.183 283 H GLN 57 H GLN 57 -11.225 -5.849 -6.010 284 HA GLN 57 HA GLN 57 -14.008 -5.631 -6.817 285 HB2 GLN 57 1HB GLN 57 -14.528 -6.439 -4.661 286 HB3 GLN 57 2HB GLN 57 -13.062 -7.288 -5.147 287 HG2 GLN 57 1HG GLN 57 -11.749 -5.560 -3.768 288 HG3 GLN 57 2HG GLN 57 -13.299 -4.964 -3.185 289 HE21 GLN 57 2HE2 GLN 57 -10.865 -7.380 -2.741 290 HE22 GLN 57 1HE2 GLN 57 -11.713 -8.263 -1.473 291 H PHE 58 H PHE 58 -11.708 -3.332 -5.607 292 HA PHE 58 HA PHE 58 -13.764 -1.545 -4.461 293 HB2 PHE 58 1HB PHE 58 -10.760 -1.177 -4.658 294 HB3 PHE 58 2HB PHE 58 -11.874 -0.269 -3.655 295 HD1 PHE 58 1HD PHE 58 -13.467 -2.080 -2.152 296 HD2 PHE 58 2HD PHE 58 -9.362 -2.537 -3.386 297 HE1 PHE 58 1HE PHE 58 -13.066 -3.625 -0.256 298 HE2 PHE 58 2HE PHE 58 -8.966 -4.093 -1.494 299 HZ PHE 58 HZ PHE 58 -10.820 -4.641 0.075 300 H GLY 59 H GLY 59 -12.290 -2.016 -7.503 301 HA2 GLY 59 1HA GLY 59 -13.483 -0.580 -9.247 302 HA3 GLY 59 2HA GLY 59 -12.779 0.796 -8.398 303 H ASP 60 H ASP 60 -11.797 1.309 -10.397 304 HA ASP 60 HA ASP 60 -10.122 -0.475 -11.873 305 HB2 ASP 60 1HB ASP 60 -10.466 2.546 -11.941 306 HB3 ASP 60 2HB ASP 60 -9.515 1.617 -13.105 307 H ILE 61 H ILE 61 -8.093 -1.043 -11.636 308 HA ILE 61 HA ILE 61 -6.316 0.331 -9.688 309 HB ILE 61 HB ILE 61 -6.029 -2.337 -11.105 310 HG12 ILE 61 1HG1 ILE 61 -6.624 -1.673 -8.179 311 HG13 ILE 61 2HG1 ILE 61 -7.847 -2.201 -9.334 312 HG21 ILE 61 1HG2 ILE 61 -3.826 -1.330 -10.652 313 HG22 ILE 61 2HG2 ILE 61 -4.320 -0.940 -8.983 314 HG23 ILE 61 3HG2 ILE 61 -4.098 -2.614 -9.504 315 HD11 ILE 61 3HD1 ILE 61 -7.142 -4.061 -7.970 316 HD12 ILE 61 1HD1 ILE 61 -6.654 -4.349 -9.643 317 HD13 ILE 61 2HD1 ILE 61 -5.462 -3.855 -8.408 318 H GLU 62 H GLU 62 -4.742 1.617 -10.260 319 HA GLU 62 HA GLU 62 -4.110 2.203 -13.076 320 HB2 GLU 62 1HB GLU 62 -4.545 3.914 -11.170 321 HB3 GLU 62 2HB GLU 62 -2.943 3.479 -10.577 322 HG2 GLU 62 1HG GLU 62 -1.953 4.167 -12.722 323 HG3 GLU 62 2HG GLU 62 -3.575 4.530 -13.357 324 H GLU 63 H GLU 63 -2.617 0.795 -10.167 325 HA GLU 63 HA GLU 63 -0.661 -0.721 -11.647 326 HB2 GLU 63 1HB GLU 63 0.480 1.508 -11.555 327 HB3 GLU 63 2HB GLU 63 0.335 1.501 -9.796 328 HG2 GLU 63 1HG GLU 63 1.810 -0.449 -9.642 329 HG3 GLU 63 2HG GLU 63 1.830 -0.616 -11.401 330 H ALA 64 H ALA 64 0.140 -2.441 -10.309 331 HA ALA 64 HA ALA 64 -0.252 -2.346 -7.416 332 HB1 ALA 64 1HB ALA 64 -2.433 -3.189 -8.057 333 HB2 ALA 64 2HB ALA 64 -1.694 -4.389 -9.142 334 HB3 ALA 64 3HB ALA 64 -1.495 -4.531 -7.382 335 H VAL 65 H VAL 65 1.326 -3.411 -6.393 336 HA VAL 65 HA VAL 65 3.019 -5.424 -7.742 337 HB VAL 65 HB VAL 65 5.099 -4.159 -7.226 338 HG11 VAL 65 1HG1 VAL 65 4.169 -4.138 -9.532 339 HG12 VAL 65 2HG1 VAL 65 3.354 -2.598 -9.163 340 HG13 VAL 65 3HG1 VAL 65 5.121 -2.699 -9.134 341 HG21 VAL 65 3HG2 VAL 65 5.052 -1.740 -6.840 342 HG22 VAL 65 1HG2 VAL 65 3.284 -1.757 -6.737 343 HG23 VAL 65 2HG2 VAL 65 4.266 -2.596 -5.514 344 H VAL 66 H VAL 66 4.572 -6.421 -6.355 345 HA VAL 66 HA VAL 66 4.229 -5.993 -3.401 346 HB VAL 66 HB VAL 66 4.587 -8.651 -4.843 347 HG11 VAL 66 1HG1 VAL 66 5.993 -8.661 -2.815 348 HG12 VAL 66 2HG1 VAL 66 4.639 -8.030 -1.848 349 HG13 VAL 66 3HG1 VAL 66 4.562 -9.656 -2.549 350 HG21 VAL 66 3HG2 VAL 66 2.470 -9.240 -3.692 351 HG22 VAL 66 1HG2 VAL 66 2.384 -7.613 -2.990 352 HG23 VAL 66 2HG2 VAL 66 2.231 -7.842 -4.744 353 H ILE 67 H ILE 67 6.113 -5.733 -2.278 354 HA ILE 67 HA ILE 67 8.436 -4.995 -3.904 355 HB ILE 67 HB ILE 67 7.905 -4.899 -0.918 356 HG12 ILE 67 1HG1 ILE 67 6.489 -3.333 -2.188 357 HG13 ILE 67 2HG1 ILE 67 7.674 -2.528 -1.189 358 HG21 ILE 67 1HG2 ILE 67 10.331 -5.047 -1.271 359 HG22 ILE 67 2HG2 ILE 67 10.265 -3.735 -2.446 360 HG23 ILE 67 3HG2 ILE 67 9.870 -3.432 -0.731 361 HD11 ILE 67 3HD1 ILE 67 7.460 -1.309 -3.199 362 HD12 ILE 67 1HD1 ILE 67 9.077 -2.017 -3.155 363 HD13 ILE 67 2HD1 ILE 67 7.825 -2.743 -4.196 364 H THR 68 H THR 68 10.139 -6.126 -4.350 365 HA THR 68 HA THR 68 10.983 -8.490 -2.784 366 HB THR 68 HB THR 68 11.382 -9.661 -4.984 367 HG1 THR 68 1HG THR 68 10.092 -8.906 -6.733 368 HG21 THR 68 3HG2 THR 68 9.089 -10.449 -5.290 369 HG22 THR 68 1HG2 THR 68 9.466 -10.298 -3.573 370 HG23 THR 68 2HG2 THR 68 8.455 -9.070 -4.371 371 H ASP 69 H ASP 69 13.147 -8.785 -2.693 372 HA ASP 69 HA ASP 69 14.840 -6.606 -3.008 373 HB2 ASP 69 1HB ASP 69 15.247 -8.477 -1.499 374 HB3 ASP 69 2HB ASP 69 15.517 -9.546 -2.880 375 H ARG 70 H ARG 70 16.268 -5.816 -4.436 376 HA ARG 70 HA ARG 70 15.895 -6.226 -7.175 377 HB2 ARG 70 1HB ARG 70 17.794 -4.706 -7.481 378 HB3 ARG 70 2HB ARG 70 16.654 -4.114 -6.274 379 HG2 ARG 70 1HG ARG 70 18.111 -4.545 -4.468 380 HG3 ARG 70 2HG ARG 70 19.052 -5.725 -5.373 381 HD2 ARG 70 1HD ARG 70 19.787 -3.790 -6.895 382 HD3 ARG 70 2HD ARG 70 19.158 -2.707 -5.661 383 HE ARG 70 HE ARG 70 21.307 -4.778 -5.313 384 HH11 ARG 70 1HH2 ARG 70 19.897 -1.808 -3.979 385 HH12 ARG 70 2HH2 ARG 70 21.366 -1.389 -3.154 386 HH21 ARG 70 1HH1 ARG 70 23.094 -4.238 -4.127 387 HH22 ARG 70 2HH1 ARG 70 23.119 -2.790 -3.165 388 H ASN 71 H ASN 71 18.023 -8.142 -5.179 389 HA ASN 71 HA ASN 71 19.357 -9.256 -7.630 390 HB2 ASN 71 1HB ASN 71 20.501 -8.756 -4.856 391 HB3 ASN 71 2HB ASN 71 21.294 -9.739 -6.085 392 HD21 ASN 71 2HD2 ASN 71 21.499 -8.550 -8.356 393 HD22 ASN 71 1HD2 ASN 71 22.076 -6.901 -8.219 394 H THR 72 H THR 72 17.706 -10.070 -4.632 395 HA THR 72 HA THR 72 17.948 -12.998 -5.288 396 HB THR 72 HB THR 72 17.345 -13.386 -2.901 397 HG1 THR 72 1HG THR 72 17.811 -10.601 -2.644 398 HG21 THR 72 3HG2 THR 72 19.515 -12.781 -1.951 399 HG22 THR 72 1HG2 THR 72 19.732 -13.368 -3.610 400 HG23 THR 72 2HG2 THR 72 19.819 -11.625 -3.265 401 H GLN 73 H GLN 73 15.659 -10.445 -5.196 402 HA GLN 73 HA GLN 73 13.431 -10.311 -5.411 403 HB2 GLN 73 1HB GLN 73 13.850 -12.999 -6.769 404 HB3 GLN 73 2HB GLN 73 12.307 -12.157 -6.772 405 HG2 GLN 73 1HG GLN 73 14.850 -10.826 -7.793 406 HG3 GLN 73 2HG GLN 73 13.805 -11.813 -8.806 407 HE21 GLN 73 2HE2 GLN 73 13.990 -8.692 -7.050 408 HE22 GLN 73 1HE2 GLN 73 12.501 -8.070 -7.744 409 H LYS 74 H LYS 74 14.521 -11.572 -2.871 410 HA LYS 74 HA LYS 74 12.384 -13.257 -1.909 411 HB2 LYS 74 1HB LYS 74 13.598 -13.175 0.178 412 HB3 LYS 74 2HB LYS 74 14.704 -13.393 -1.156 413 HG2 LYS 74 1HG LYS 74 15.888 -11.859 0.023 414 HG3 LYS 74 2HG LYS 74 14.985 -10.777 -1.034 415 HD2 LYS 74 1HD LYS 74 13.285 -10.547 0.870 416 HD3 LYS 74 2HD LYS 74 14.438 -11.447 1.871 417 HE2 LYS 74 1HE LYS 74 16.176 -9.667 1.143 418 HE3 LYS 74 2HE LYS 74 14.816 -8.747 0.501 419 HZ1 LYS 74 3HZ LYS 74 15.334 -8.042 2.744 420 HZ2 LYS 74 1HZ LYS 74 13.854 -8.744 2.750 421 HZ3 LYS 74 2HZ LYS 74 15.149 -9.553 3.336 422 H SER 75 H SER 75 10.560 -12.696 -0.786 423 HA SER 75 HA SER 75 9.485 -10.095 -1.315 424 HB2 SER 75 1HB SER 75 8.364 -12.337 0.396 425 HB3 SER 75 2HB SER 75 7.454 -10.980 -0.298 426 HG SER 75 HG SER 75 7.349 -12.964 -1.556 427 H ARG 76 H ARG 76 8.985 -8.383 -0.068 428 HA ARG 76 HA ARG 76 10.329 -8.118 2.536 429 HB2 ARG 76 1HB ARG 76 9.434 -6.397 0.320 430 HB3 ARG 76 2HB ARG 76 9.092 -5.681 1.867 431 HG2 ARG 76 1HG ARG 76 11.845 -6.845 1.331 432 HG3 ARG 76 2HG ARG 76 11.399 -5.246 0.723 433 HD2 ARG 76 1HD ARG 76 10.860 -4.437 2.908 434 HD3 ARG 76 2HD ARG 76 11.136 -6.032 3.645 435 HE ARG 76 HE ARG 76 13.512 -5.287 2.300 436 HH11 ARG 76 1HH1 ARG 76 11.652 -3.964 5.023 437 HH12 ARG 76 2HH1 ARG 76 13.089 -3.366 5.801 438 HH21 ARG 76 1HH2 ARG 76 15.250 -4.435 3.282 439 HH22 ARG 76 2HH2 ARG 76 15.121 -3.611 4.817 440 H GLY 77 H GLY 77 7.272 -9.177 1.794 441 HA2 GLY 77 1HA GLY 77 5.515 -9.663 3.268 442 HA3 GLY 77 2HA GLY 77 6.243 -8.597 4.496 443 H TYR 78 H TYR 78 6.077 -6.846 1.651 444 HA TYR 78 HA TYR 78 3.274 -6.057 1.835 445 HB2 TYR 78 1HB TYR 78 3.651 -3.805 2.411 446 HB3 TYR 78 2HB TYR 78 4.623 -4.708 3.558 447 HD1 TYR 78 1HD TYR 78 7.136 -4.765 3.243 448 HD2 TYR 78 2HD TYR 78 4.532 -2.257 0.897 449 HE1 TYR 78 1HE TYR 78 9.077 -3.348 2.568 450 HE2 TYR 78 2HE TYR 78 6.456 -0.824 0.285 451 HH TYR 78 HH TYR 78 8.709 -0.485 0.489 452 H GLY 79 H GLY 79 2.631 -4.480 0.301 453 HA2 GLY 79 1HA GLY 79 4.268 -4.108 -2.156 454 HA3 GLY 79 2HA GLY 79 2.652 -4.822 -2.257 455 H PHE 80 H PHE 80 2.666 -2.892 -3.711 456 HA PHE 80 HA PHE 80 1.273 -0.660 -2.347 457 HB2 PHE 80 1HB PHE 80 3.587 -0.491 -4.268 458 HB3 PHE 80 2HB PHE 80 2.291 0.674 -4.439 459 HD1 PHE 80 2HD PHE 80 1.679 2.229 -2.649 460 HD2 PHE 80 1HD PHE 80 5.142 -0.336 -2.321 461 HE1 PHE 80 2HE PHE 80 2.555 3.647 -0.813 462 HE2 PHE 80 1HE PHE 80 6.023 1.133 -0.516 463 HZ PHE 80 HZ PHE 80 4.741 3.110 0.236 464 H VAL 81 H VAL 81 -0.474 0.115 -3.358 465 HA VAL 81 HA VAL 81 -1.219 -0.883 -6.073 466 HB VAL 81 HB VAL 81 -3.155 -0.782 -3.717 467 HG11 VAL 81 1HG1 VAL 81 -4.248 -0.242 -5.856 468 HG12 VAL 81 2HG1 VAL 81 -3.555 -1.694 -6.603 469 HG13 VAL 81 3HG1 VAL 81 -4.752 -1.837 -5.303 470 HG21 VAL 81 3HG2 VAL 81 -3.324 -3.255 -3.995 471 HG22 VAL 81 1HG2 VAL 81 -1.975 -3.201 -5.148 472 HG23 VAL 81 2HG2 VAL 81 -1.732 -2.739 -3.446 473 H THR 82 H THR 82 -2.079 0.729 -7.339 474 HA THR 82 HA THR 82 -2.823 3.337 -6.065 475 HB THR 82 HB THR 82 -1.294 2.949 -8.662 476 HG1 THR 82 1HG THR 82 0.358 3.927 -7.457 477 HG21 THR 82 3HG2 THR 82 -1.099 5.424 -8.624 478 HG22 THR 82 1HG2 THR 82 -2.782 4.930 -8.781 479 HG23 THR 82 2HG2 THR 82 -2.174 5.494 -7.207 480 H MET 83 H MET 83 -4.722 4.141 -6.698 481 HA MET 83 HA MET 83 -6.365 2.489 -8.577 482 HB2 MET 83 1HB MET 83 -7.296 4.401 -6.414 483 HB3 MET 83 2HB MET 83 -8.264 3.263 -7.326 484 HG2 MET 83 1HG MET 83 -6.101 2.584 -5.313 485 HG3 MET 83 2HG MET 83 -7.831 2.436 -5.068 486 HE1 MET 83 3HE MET 83 -8.841 -0.609 -7.233 487 HE2 MET 83 1HE MET 83 -9.345 0.592 -6.018 488 HE3 MET 83 2HE MET 83 -8.937 1.109 -7.672 489 H LYS 84 H LYS 84 -7.481 3.368 -10.284 490 HA LYS 84 HA LYS 84 -6.358 5.718 -11.491 491 HB2 LYS 84 1HB LYS 84 -8.837 4.105 -12.195 492 HB3 LYS 84 2HB LYS 84 -8.148 5.382 -13.202 493 HG2 LYS 84 1HG LYS 84 -5.955 4.032 -13.165 494 HG3 LYS 84 2HG LYS 84 -6.931 2.696 -12.518 495 HD2 LYS 84 1HD LYS 84 -8.438 2.943 -14.551 496 HD3 LYS 84 2HD LYS 84 -7.307 4.154 -15.174 497 HE2 LYS 84 1HE LYS 84 -5.472 2.471 -15.113 498 HE3 LYS 84 2HE LYS 84 -6.601 1.263 -14.485 499 HZ1 LYS 84 3HZ LYS 84 -6.325 1.049 -16.878 500 HZ2 LYS 84 1HZ LYS 84 -7.869 1.465 -16.550 501 HZ3 LYS 84 2HZ LYS 84 -6.825 2.583 -17.135 502 H ASP 85 H ASP 85 -9.029 5.440 -9.309 503 HA ASP 85 HA ASP 85 -9.437 8.376 -9.473 504 HB2 ASP 85 1HB ASP 85 -11.308 7.219 -10.705 505 HB3 ASP 85 2HB ASP 85 -11.752 6.425 -9.194 506 H ARG 86 H ARG 86 -10.026 9.347 -7.583 507 HA ARG 86 HA ARG 86 -8.905 8.389 -5.174 508 HB2 ARG 86 1HB ARG 86 -9.566 10.812 -5.937 509 HB3 ARG 86 2HB ARG 86 -11.150 10.426 -5.252 510 HG2 ARG 86 1HG ARG 86 -9.773 9.729 -3.103 511 HG3 ARG 86 2HG ARG 86 -8.434 10.541 -3.919 512 HD2 ARG 86 1HD ARG 86 -9.428 12.088 -2.363 513 HD3 ARG 86 2HD ARG 86 -9.813 12.640 -3.997 514 HE ARG 86 HE ARG 86 -11.809 10.839 -2.761 515 HH11 ARG 86 1HH1 ARG 86 -11.043 14.289 -3.112 516 HH12 ARG 86 2HH1 ARG 86 -12.667 14.742 -2.677 517 HH21 ARG 86 1HH2 ARG 86 -13.706 11.425 -2.235 518 HH22 ARG 86 2HH2 ARG 86 -14.217 13.110 -2.177 519 H ALA 87 H ALA 87 -12.295 8.171 -6.359 520 HA ALA 87 HA ALA 87 -13.366 7.346 -3.804 521 HB1 ALA 87 1HB ALA 87 -14.716 8.420 -5.577 522 HB2 ALA 87 2HB ALA 87 -14.489 6.998 -6.622 523 HB3 ALA 87 3HB ALA 87 -15.398 6.854 -5.099 524 H SER 88 H SER 88 -11.808 5.526 -6.414 525 HA SER 88 HA SER 88 -12.636 2.919 -5.406 526 HB2 SER 88 1HB SER 88 -10.391 3.712 -7.273 527 HB3 SER 88 2HB SER 88 -10.978 2.057 -6.989 528 HG SER 88 HG SER 88 -11.861 3.345 -8.875 529 H ALA 89 H ALA 89 -9.939 5.118 -4.677 530 HA ALA 89 HA ALA 89 -8.609 3.167 -2.931 531 HB1 ALA 89 1HB ALA 89 -7.347 4.983 -4.047 532 HB2 ALA 89 2HB ALA 89 -8.303 6.190 -3.151 533 HB3 ALA 89 3HB ALA 89 -7.227 5.081 -2.281 534 H GLU 90 H GLU 90 -10.958 5.852 -2.506 535 HA GLU 90 HA GLU 90 -11.259 5.624 0.306 536 HB2 GLU 90 1HB GLU 90 -13.310 6.358 -1.818 537 HB3 GLU 90 2HB GLU 90 -13.586 6.487 -0.085 538 HG2 GLU 90 1HG GLU 90 -11.737 8.062 0.146 539 HG3 GLU 90 2HG GLU 90 -11.346 7.940 -1.554 540 H ARG 91 H ARG 91 -12.941 3.797 -2.321 541 HA ARG 91 HA ARG 91 -14.425 2.058 -0.605 542 HB2 ARG 91 1HB ARG 91 -13.456 1.835 -3.465 543 HB3 ARG 91 2HB ARG 91 -14.308 0.504 -2.674 544 HG2 ARG 91 1HG ARG 91 -16.222 1.943 -2.173 545 HG3 ARG 91 2HG ARG 91 -15.440 3.327 -2.937 546 HD2 ARG 91 1HD ARG 91 -16.078 0.714 -4.375 547 HD3 ARG 91 2HD ARG 91 -17.170 2.088 -4.334 548 HE ARG 91 HE ARG 91 -14.607 1.857 -5.797 549 HH11 ARG 91 1HH2 ARG 91 -17.348 3.961 -5.025 550 HH12 ARG 91 2HH2 ARG 91 -17.021 5.033 -6.353 551 HH21 ARG 91 1HH1 ARG 91 -14.143 3.391 -7.408 552 HH22 ARG 91 2HH1 ARG 91 -15.266 4.680 -7.696 553 H ALA 92 H ALA 92 -11.052 1.794 -1.781 554 HA ALA 92 HA ALA 92 -10.643 -0.864 -0.750 555 HB1 ALA 92 1HB ALA 92 -9.316 0.170 -2.587 556 HB2 ALA 92 2HB ALA 92 -8.611 1.306 -1.413 557 HB3 ALA 92 3HB ALA 92 -8.302 -0.434 -1.265 558 H CYS 93 H CYS 93 -10.116 2.344 0.751 559 HA CYS 93 HA CYS 93 -8.734 1.206 3.019 560 HB2 CYS 93 1HB CYS 93 -8.522 3.414 3.800 561 HB3 CYS 93 2HB CYS 93 -8.440 3.532 2.037 562 HG CYS 93 HG CYS 93 -11.160 4.007 1.857 563 H LYS 94 H LYS 94 -12.012 1.008 2.370 564 HA LYS 94 HA LYS 94 -13.216 1.495 4.903 565 HB2 LYS 94 1HB LYS 94 -13.974 -0.481 2.704 566 HB3 LYS 94 2HB LYS 94 -15.010 -0.027 4.039 567 HG2 LYS 94 1HG LYS 94 -14.051 1.738 1.770 568 HG3 LYS 94 2HG LYS 94 -15.682 1.160 2.041 569 HD2 LYS 94 1HD LYS 94 -14.182 3.206 3.734 570 HD3 LYS 94 2HD LYS 94 -15.486 3.522 2.592 571 HE2 LYS 94 1HE LYS 94 -17.038 2.129 3.964 572 HE3 LYS 94 2HE LYS 94 -15.745 1.850 5.136 573 HZ1 LYS 94 3HZ LYS 94 -17.184 3.668 5.828 574 HZ2 LYS 94 1HZ LYS 94 -15.686 4.252 5.541 575 HZ3 LYS 94 2HZ LYS 94 -16.887 4.504 4.459 576 H ASP 95 H ASP 95 -11.361 -1.266 3.865 577 HA ASP 95 HA ASP 95 -11.691 -2.482 6.581 578 HB2 ASP 95 1HB ASP 95 -12.813 -3.831 4.886 579 HB3 ASP 95 2HB ASP 95 -11.308 -3.976 3.979 580 HA PRO 96 HA PRO 96 -7.281 -1.435 6.184 581 HB2 PRO 96 1HB PRO 96 -6.637 -1.222 8.813 582 HB3 PRO 96 2HB PRO 96 -7.612 0.014 7.959 583 HG2 PRO 96 1HG PRO 96 -8.611 -2.279 9.683 584 HG3 PRO 96 2HG PRO 96 -9.071 -0.548 9.772 585 HD2 PRO 96 1HD PRO 96 -10.553 -2.404 8.411 586 HD3 PRO 96 2HD PRO 96 -10.411 -0.713 7.839 587 H ASN 97 H ASN 97 -8.752 -4.286 7.574 588 HA ASN 97 HA ASN 97 -6.163 -5.729 7.478 589 HB2 ASN 97 1HB ASN 97 -8.107 -5.958 9.792 590 HB3 ASN 97 2HB ASN 97 -6.632 -6.876 9.562 591 HD21 ASN 97 2HD2 ASN 97 -4.568 -5.323 9.190 592 HD22 ASN 97 1HD2 ASN 97 -4.468 -4.072 10.408 593 HA PRO 98 HA PRO 98 -9.622 -7.819 5.233 594 HB2 PRO 98 1HB PRO 98 -8.455 -8.101 2.779 595 HB3 PRO 98 2HB PRO 98 -9.188 -6.560 3.344 596 HG2 PRO 98 1HG PRO 98 -6.271 -7.400 3.423 597 HG3 PRO 98 2HG PRO 98 -6.965 -5.876 2.788 598 HD2 PRO 98 1HD PRO 98 -5.928 -6.071 5.299 599 HD3 PRO 98 2HD PRO 98 -7.372 -5.082 4.974 600 H ILE 99 H ILE 99 -6.463 -8.967 5.953 601 HA ILE 99 HA ILE 99 -5.504 -11.026 6.139 602 HB ILE 99 HB ILE 99 -8.174 -12.367 5.926 603 HG12 ILE 99 1HG1 ILE 99 -8.715 -10.592 7.420 604 HG13 ILE 99 2HG1 ILE 99 -8.538 -12.070 8.338 605 HG21 ILE 99 1HG2 ILE 99 -6.193 -13.817 6.144 606 HG22 ILE 99 2HG2 ILE 99 -5.669 -12.931 7.582 607 HG23 ILE 99 3HG2 ILE 99 -7.166 -13.884 7.613 608 HD11 ILE 99 3HD1 ILE 99 -7.583 -10.216 9.572 609 HD12 ILE 99 1HD1 ILE 99 -6.262 -11.294 9.092 610 HD13 ILE 99 2HD1 ILE 99 -6.554 -9.766 8.211 611 H ILE 100 H ILE 100 -4.873 -10.214 3.869 612 HA ILE 100 HA ILE 100 -5.956 -11.596 1.546 613 HB ILE 100 HB ILE 100 -3.527 -9.830 1.946 614 HG12 ILE 100 1HG1 ILE 100 -6.010 -9.355 0.240 615 HG13 ILE 100 2HG1 ILE 100 -6.008 -8.982 1.949 616 HG21 ILE 100 1HG2 ILE 100 -2.926 -11.361 0.119 617 HG22 ILE 100 2HG2 ILE 100 -4.502 -11.102 -0.660 618 HG23 ILE 100 3HG2 ILE 100 -3.314 -9.790 -0.563 619 HD11 ILE 100 3HD1 ILE 100 -5.522 -6.968 0.710 620 HD12 ILE 100 1HD1 ILE 100 -4.074 -7.434 1.622 621 HD13 ILE 100 2HD1 ILE 100 -4.166 -7.737 -0.129 622 H ASP 101 H ASP 101 -5.670 -13.581 1.044 623 HA ASP 101 HA ASP 101 -4.919 -15.646 0.777 624 HB2 ASP 101 1HB ASP 101 -3.088 -13.946 -0.389 625 HB3 ASP 101 2HB ASP 101 -2.044 -15.014 0.531 626 H GLY 102 H GLY 102 -4.940 -14.654 3.582 627 HA2 GLY 102 1HA GLY 102 -5.069 -16.119 5.416 628 HA3 GLY 102 2HA GLY 102 -3.797 -17.145 4.732 629 H ARG 103 H ARG 103 -3.499 -13.611 5.240 630 HA ARG 103 HA ARG 103 -2.297 -13.927 7.880 631 HB2 ARG 103 1HB ARG 103 -0.367 -14.392 6.288 632 HB3 ARG 103 2HB ARG 103 -0.554 -12.742 5.680 633 HG2 ARG 103 1HG ARG 103 -0.112 -11.869 7.987 634 HG3 ARG 103 2HG ARG 103 0.092 -13.536 8.551 635 HD2 ARG 103 1HD ARG 103 2.003 -13.786 6.926 636 HD3 ARG 103 2HD ARG 103 1.782 -12.101 6.458 637 HE ARG 103 HE ARG 103 2.697 -11.367 8.480 638 HH11 ARG 103 1HH1 ARG 103 2.306 -14.885 8.706 639 HH12 ARG 103 2HH1 ARG 103 3.332 -14.988 10.104 640 HH21 ARG 103 1HH2 ARG 103 4.089 -11.607 10.213 641 HH22 ARG 103 2HH2 ARG 103 4.287 -13.149 10.968 642 H LYS 104 H LYS 104 -2.418 -12.021 9.078 643 HA LYS 104 HA LYS 104 -4.357 -10.136 8.181 644 HB2 LYS 104 1HB LYS 104 -4.079 -10.800 10.523 645 HB3 LYS 104 2HB LYS 104 -2.519 -9.959 10.585 646 HG2 LYS 104 1HG LYS 104 -3.620 -7.796 10.173 647 HG3 LYS 104 2HG LYS 104 -5.158 -8.593 9.848 648 HD2 LYS 104 1HD LYS 104 -5.180 -7.583 12.045 649 HD3 LYS 104 2HD LYS 104 -5.313 -9.345 12.173 650 HE2 LYS 104 1HE LYS 104 -2.904 -9.502 12.723 651 HE3 LYS 104 2HE LYS 104 -2.729 -7.752 12.531 652 HZ1 LYS 104 3HZ LYS 104 -2.979 -8.372 14.863 653 HZ2 LYS 104 1HZ LYS 104 -4.257 -7.463 14.406 654 HZ3 LYS 104 2HZ LYS 104 -4.422 -9.082 14.580 655 H ALA 105 H ALA 105 -3.972 -8.951 6.481 656 HA ALA 105 HA ALA 105 -1.515 -7.473 6.039 657 HB1 ALA 105 1HB ALA 105 -2.799 -8.435 4.174 658 HB2 ALA 105 2HB ALA 105 -4.198 -7.420 4.592 659 HB3 ALA 105 3HB ALA 105 -2.695 -6.674 4.017 660 H ASN 106 H ASN 106 -1.633 -5.117 5.589 661 HA ASN 106 HA ASN 106 -3.349 -3.569 7.481 662 HB2 ASN 106 1HB ASN 106 -0.333 -3.325 7.179 663 HB3 ASN 106 2HB ASN 106 -1.360 -2.334 8.212 664 HD21 ASN 106 2HD2 ASN 106 0.701 -4.972 8.232 665 HD22 ASN 106 1HD2 ASN 106 0.029 -5.860 9.600 666 H VAL 107 H VAL 107 -4.530 -2.480 6.045 667 HA VAL 107 HA VAL 107 -3.325 -1.441 3.507 668 HB VAL 107 HB VAL 107 -6.228 -1.972 4.261 669 HG11 VAL 107 1HG1 VAL 107 -6.133 -0.143 2.614 670 HG12 VAL 107 2HG1 VAL 107 -5.007 -1.080 1.608 671 HG13 VAL 107 3HG1 VAL 107 -6.685 -1.619 1.824 672 HG21 VAL 107 3HG2 VAL 107 -6.080 -3.799 2.605 673 HG22 VAL 107 1HG2 VAL 107 -4.355 -3.463 2.391 674 HG23 VAL 107 2HG2 VAL 107 -4.958 -4.064 3.949 675 H ASN 108 H ASN 108 -2.991 0.671 3.286 676 HA ASN 108 HA ASN 108 -4.972 2.616 4.053 677 HB2 ASN 108 1HB ASN 108 -3.553 4.001 5.516 678 HB3 ASN 108 2HB ASN 108 -3.983 2.475 6.250 679 HD21 ASN 108 2HD2 ASN 108 -1.265 4.372 4.882 680 HD22 ASN 108 1HD2 ASN 108 -0.057 3.398 5.713 681 H LEU 109 H LEU 109 -4.586 4.739 3.277 682 HA LEU 109 HA LEU 109 -3.156 5.079 0.819 683 HB2 LEU 109 1HB LEU 109 -4.130 7.033 2.945 684 HB3 LEU 109 2HB LEU 109 -3.415 7.550 1.422 685 HG LEU 109 HG LEU 109 -5.932 5.837 1.584 686 HD11 LEU 109 1HD1 LEU 109 -6.333 8.019 2.630 687 HD12 LEU 109 2HD1 LEU 109 -5.634 8.852 1.229 688 HD13 LEU 109 3HD1 LEU 109 -7.147 7.935 1.059 689 HD21 LEU 109 3HD2 LEU 109 -6.218 6.645 -0.782 690 HD22 LEU 109 1HD2 LEU 109 -4.591 7.355 -0.702 691 HD23 LEU 109 2HD2 LEU 109 -4.810 5.601 -0.573 692 H ALA 110 H ALA 110 -1.136 5.754 0.391 693 HA ALA 110 HA ALA 110 1.026 5.030 1.831 694 HB1 ALA 110 1HB ALA 110 1.067 5.697 -0.488 695 HB2 ALA 110 2HB ALA 110 0.892 7.413 -0.062 696 HB3 ALA 110 3HB ALA 110 2.369 6.521 0.394 697 H TYR 111 H TYR 111 1.004 8.646 1.749 698 HA TYR 111 HA TYR 111 2.578 9.471 3.521 699 HB2 TYR 111 1HB TYR 111 1.408 11.450 3.607 700 HB3 TYR 111 2HB TYR 111 0.958 10.693 2.104 701 HD1 TYR 111 1HD TYR 111 -1.328 9.153 2.300 702 HD2 TYR 111 2HD TYR 111 -0.272 12.484 4.834 703 HE1 TYR 111 1HE TYR 111 -3.709 9.447 2.914 704 HE2 TYR 111 2HE TYR 111 -2.667 12.819 5.389 705 HH TYR 111 HH TYR 111 -4.824 12.065 5.095 706 H LEU 112 H LEU 112 0.670 7.241 5.333 707 HA LEU 112 HA LEU 112 0.171 9.040 7.599 708 HB2 LEU 112 1HB LEU 112 -0.364 6.049 7.524 709 HB3 LEU 112 2HB LEU 112 -1.079 7.282 8.556 710 HG LEU 112 HG LEU 112 -1.555 6.731 5.633 711 HD11 LEU 112 1HD1 LEU 112 -2.832 5.400 7.284 712 HD12 LEU 112 2HD1 LEU 112 -3.504 6.908 7.951 713 HD13 LEU 112 3HD1 LEU 112 -3.867 6.440 6.273 714 HD21 LEU 112 3HD2 LEU 112 -3.173 8.621 5.625 715 HD22 LEU 112 1HD2 LEU 112 -2.449 9.187 7.156 716 HD23 LEU 112 2HD2 LEU 112 -1.476 9.088 5.663 717 H GLY 113 H GLY 113 1.615 5.762 7.596 718 HA2 GLY 113 1HA GLY 113 3.594 6.510 9.677 719 HA3 GLY 113 2HA GLY 113 3.279 4.890 8.999 720 H ALA 114 H ALA 114 3.573 7.337 6.639 721 HA ALA 114 HA ALA 114 5.768 6.023 5.399 722 HB1 ALA 114 1HB ALA 114 3.923 7.113 4.165 723 HB2 ALA 114 2HB ALA 114 4.458 8.704 4.771 724 HB3 ALA 114 3HB ALA 114 5.493 7.767 3.676 725 H LYS 115 H LYS 115 7.823 6.643 4.965 726 HA LYS 115 HA LYS 115 9.208 8.332 6.926 727 HB2 LYS 115 1HB LYS 115 10.079 6.387 4.778 728 HB3 LYS 115 2HB LYS 115 11.215 7.345 5.736 729 HG2 LYS 115 1HG LYS 115 10.229 6.412 7.839 730 HG3 LYS 115 2HG LYS 115 9.163 5.376 6.860 731 HD2 LYS 115 1HD LYS 115 11.120 4.346 5.800 732 HD3 LYS 115 2HD LYS 115 12.199 5.390 6.757 733 HE2 LYS 115 1HE LYS 115 11.471 4.371 8.839 734 HE3 LYS 115 2HE LYS 115 10.165 3.502 8.014 735 HZ1 LYS 115 3HZ LYS 115 12.052 2.053 8.429 736 HZ2 LYS 115 1HZ LYS 115 11.776 2.222 6.822 737 HZ3 LYS 115 2HZ LYS 115 13.045 3.003 7.530 738 HA PRO 116 HA PRO 116 10.147 11.887 4.291 739 HB2 PRO 116 1HB PRO 116 13.028 11.258 4.969 740 HB3 PRO 116 2HB PRO 116 12.186 12.838 4.993 741 HG2 PRO 116 1HG PRO 116 12.633 11.497 7.303 742 HG3 PRO 116 2HG PRO 116 11.045 12.282 7.017 743 HD2 PRO 116 1HD PRO 116 11.773 9.355 6.709 744 HD3 PRO 116 2HD PRO 116 10.321 10.102 7.440 745 H ARG 117 H ARG 117 10.597 12.168 2.131 746 HA ARG 117 HA ARG 117 12.273 10.293 0.617 747 HB2 ARG 117 1HB ARG 117 10.075 9.124 0.974 748 HB3 ARG 117 2HB ARG 117 9.257 10.452 0.175 749 HG2 ARG 117 1HG ARG 117 9.537 8.524 -1.308 750 HG3 ARG 117 2HG ARG 117 10.373 9.936 -1.943 751 HD2 ARG 117 1HD ARG 117 11.644 7.810 -2.215 752 HD3 ARG 117 2HD ARG 117 12.522 9.053 -1.327 753 HE ARG 117 HE ARG 117 11.002 6.922 0.132 754 HH11 ARG 117 1HH1 ARG 117 14.205 8.249 -0.659 755 HH12 ARG 117 2HH1 ARG 117 14.956 7.471 0.700 756 HH21 ARG 117 1HH2 ARG 117 12.050 5.956 1.860 757 HH22 ARG 117 2HH2 ARG 117 13.768 6.173 2.080 758 H THR 118 H THR 118 13.243 11.354 -0.928 759 HA THR 118 HA THR 118 12.148 13.770 -2.275 760 HB THR 118 HB THR 118 14.338 14.920 -1.849 761 HG1 THR 118 1HG THR 118 15.627 14.080 -0.181 762 HG21 THR 118 3HG2 THR 118 13.869 15.693 0.377 763 HG22 THR 118 1HG2 THR 118 12.322 15.419 -0.440 764 HG23 THR 118 2HG2 THR 118 12.916 14.247 0.760 765 H ASN 119 H ASN 119 13.808 14.532 -3.940 766 HA ASN 119 HA ASN 119 15.253 12.320 -5.293 767 HB2 ASN 119 1HB ASN 119 13.053 14.035 -6.526 768 HB3 ASN 119 2HB ASN 119 14.186 13.073 -7.467 769 HD21 ASN 119 2HD2 ASN 119 11.163 12.982 -5.851 770 HD22 ASN 119 1HD2 ASN 119 10.947 11.241 -5.923 771 H VAL 120 H VAL 120 16.837 13.031 -6.794 772 HA VAL 120 HA VAL 120 18.190 15.493 -6.025 773 HB VAL 120 HB VAL 120 18.842 13.492 -8.229 774 HG11 VAL 120 1HG1 VAL 120 19.930 15.641 -8.743 775 HG12 VAL 120 2HG1 VAL 120 20.533 15.763 -7.073 776 HG13 VAL 120 3HG1 VAL 120 21.133 14.491 -8.159 777 HG21 VAL 120 3HG2 VAL 120 20.588 12.704 -6.644 778 HG22 VAL 120 1HG2 VAL 120 19.982 13.833 -5.416 779 HG23 VAL 120 2HG2 VAL 120 18.969 12.485 -5.976 780 H GLN 121 H GLN 121 18.095 17.431 -6.937 781 HA GLN 121 HA GLN 121 17.336 17.968 -9.688 782 HB2 GLN 121 1HB GLN 121 15.111 17.587 -8.714 783 HB3 GLN 121 2HB GLN 121 15.464 18.708 -7.401 784 HG2 GLN 121 1HG GLN 121 13.992 19.739 -9.031 785 HG3 GLN 121 2HG GLN 121 15.523 20.595 -8.988 786 HE21 GLN 121 2HE2 GLN 121 17.095 20.108 -10.799 787 HE22 GLN 121 1HE2 GLN 121 16.401 19.694 -12.380 788 H5' G 7 H5' G 7 7.026 -8.816 12.637 789 H5'' G 7 H5" G 7 5.695 -9.484 11.670 790 H4' G 7 H4' G 7 8.163 -11.072 12.448 791 H3' G 7 H3' G 7 7.567 -9.463 9.951 792 H2' G 7 H2' G 7 8.620 -11.120 8.707 793 HO2' G 7 2HO G 7 10.637 -11.061 9.916 794 H1' G 7 H1' G 7 8.282 -13.124 10.799 795 H8 G 7 8H G 7 7.794 -15.148 9.504 796 H1 G 7 1H G 7 4.360 -12.030 5.026 797 H21 G 7 1H2 G 7 4.170 -9.947 5.561 798 H22 G 7 2H2 G 7 4.953 -9.294 7.003 799 HO5' G 7 H5T G 7 5.330 -9.646 13.983 800 H5' U 8 H5' U 8 9.405 -6.119 11.771 801 H5'' U 8 H5" U 8 7.818 -6.890 11.638 802 H4' U 8 H4' U 8 8.670 -4.428 10.070 803 H3' U 8 H3' U 8 8.305 -4.424 12.805 804 H2' U 8 H2' U 8 6.192 -5.428 12.748 805 HO2' U 8 2HO U 8 5.936 -2.616 12.822 806 H1' U 8 H1' U 8 5.405 -3.615 10.438 807 H3 U 8 3H U 8 1.280 -5.308 11.610 808 H5 U 8 5H U 8 3.663 -8.728 11.368 809 H6 U 8 6H U 8 5.579 -7.310 10.762 810 H5' G 9 H5' G 9 9.360 -0.552 9.030 811 H5'' G 9 H5" G 9 7.967 -1.605 9.315 812 H4' G 9 H4' G 9 10.399 -2.435 7.678 813 H3' G 9 H3' G 9 7.832 -1.094 6.808 814 H2' G 9 H2' G 9 7.784 -2.513 4.892 815 HO2' G 9 2HO G 9 10.207 -2.237 4.697 816 H1' G 9 H1' G 9 8.693 -4.808 6.141 817 H8 G 9 8H G 9 6.608 -6.092 5.570 818 H1 G 9 1H G 9 2.678 -1.819 8.363 819 H21 G 9 1H2 G 9 3.909 -0.088 9.123 820 H22 G 9 2H2 G 9 5.642 -0.080 8.849 821 H5' U 10 H5' U 10 7.857 -0.081 3.476 822 H5'' U 10 H5" U 10 9.415 0.737 3.360 823 H4' U 10 H4' U 10 7.925 1.600 1.678 824 H3' U 10 H3' U 10 9.299 3.294 3.392 825 H2' U 10 H2' U 10 7.435 3.732 4.787 826 HO2' U 10 2HO U 10 7.464 5.597 2.645 827 H1' U 10 H1' U 10 5.727 3.851 2.288 828 H3 U 10 3H U 10 1.849 4.694 4.486 829 H5 U 10 5H U 10 3.970 2.389 7.255 830 H6 U 10 6H U 10 5.833 2.239 5.671 831 H5' G 11 H5' G 11 10.651 2.364 1.783 832 H5'' G 11 H5" G 11 12.085 2.432 0.769 833 H4' G 11 H4' G 11 10.564 0.459 0.493 834 H3' G 11 H3' G 11 11.924 1.917 -1.562 835 H2' G 11 H2' G 11 10.184 2.314 -2.857 836 HO2' G 11 2HO G 11 9.352 0.516 -4.114 837 H1' G 11 H1' G 11 8.286 0.207 -1.726 838 H8 G 11 8H G 11 7.643 3.679 -0.872 839 H1 G 11 1H G 11 5.618 2.398 -6.857 840 H21 G 11 1H2 G 11 6.472 0.412 -7.478 841 H22 G 11 2H2 G 11 7.486 -0.486 -6.359 842 H5' C 12 H5' C 12 12.395 -3.174 -1.814 843 H5'' C 12 H5" C 12 12.305 -2.829 -0.081 844 H4' C 12 H4' C 12 13.262 -5.030 -0.389 845 H3' C 12 H3' C 12 14.469 -3.164 1.201 846 HO3' C 12 H3T C 12 16.102 -5.273 1.098 847 H2' C 12 H2' C 12 16.029 -2.296 -0.281 848 HO2' C 12 2HO C 12 18.061 -3.422 -0.094 849 H1' C 12 H1' C 12 16.713 -4.828 -1.692 850 H41 C 12 1H4 C 12 18.254 0.114 -5.405 851 H42 C 12 2H4 C 12 16.660 0.044 -6.150 852 H5 C 12 5H C 12 14.919 -1.420 -5.319 853 H6 C 12 6H C 12 14.362 -3.055 -3.616 Start of MODEL 5 1 H1 GLY 19 1H GLY 19 -28.419 16.408 3.761 2 H2 GLY 19 2H GLY 19 -27.904 15.212 4.752 3 H3 GLY 19 3H GLY 19 -29.057 16.258 5.263 4 HA2 GLY 19 1HA GLY 19 -27.515 18.097 5.222 5 HA3 GLY 19 2HA GLY 19 -26.950 16.797 6.287 6 H SER 20 H SER 20 -24.868 18.009 5.873 7 HA SER 20 HA SER 20 -23.219 16.600 3.946 8 HB2 SER 20 1HB SER 20 -24.315 18.403 2.536 9 HB3 SER 20 2HB SER 20 -23.506 19.602 3.557 10 HG SER 20 HG SER 20 -22.315 19.061 1.628 11 H THR 21 H THR 21 -20.922 17.369 4.091 12 HA THR 21 HA THR 21 -20.108 18.599 6.659 13 HB THR 21 HB THR 21 -18.613 16.645 7.143 14 HG1 THR 21 1HG THR 21 -19.134 14.679 6.138 15 HG21 THR 21 3HG2 THR 21 -20.267 15.256 8.217 16 HG22 THR 21 1HG2 THR 21 -20.785 16.944 8.351 17 HG23 THR 21 2HG2 THR 21 -21.558 15.866 7.166 18 H ASN 22 H ASN 22 -17.816 18.950 6.811 19 HA ASN 22 HA ASN 22 -16.138 18.763 4.440 20 HB2 ASN 22 1HB ASN 22 -17.572 20.754 3.933 21 HB3 ASN 22 2HB ASN 22 -17.045 21.495 5.441 22 HD21 ASN 22 2HD2 ASN 22 -16.127 23.317 4.307 23 HD22 ASN 22 1HD2 ASN 22 -14.645 23.140 3.382 24 H ALA 23 H ALA 23 -13.981 19.202 4.858 25 HA ALA 23 HA ALA 23 -12.871 20.173 7.318 26 HB1 ALA 23 1HB ALA 23 -13.705 18.045 8.261 27 HB2 ALA 23 2HB ALA 23 -12.884 17.130 6.976 28 HB3 ALA 23 3HB ALA 23 -11.939 18.029 8.182 29 H GLU 24 H GLU 24 -12.375 18.063 4.488 30 HA GLU 24 HA GLU 24 -9.864 19.462 3.794 31 HB2 GLU 24 1HB GLU 24 -10.240 16.437 3.946 32 HB3 GLU 24 2HB GLU 24 -8.877 17.213 3.170 33 HG2 GLU 24 1HG GLU 24 -9.558 17.346 6.136 34 HG3 GLU 24 2HG GLU 24 -8.327 16.339 5.394 35 HA PRO 25 HA PRO 25 -11.846 19.389 -0.183 36 HB2 PRO 25 1HB PRO 25 -9.740 19.434 -1.955 37 HB3 PRO 25 2HB PRO 25 -10.234 20.831 -0.952 38 HG2 PRO 25 1HG PRO 25 -8.045 18.810 -0.365 39 HG3 PRO 25 2HG PRO 25 -7.950 20.599 -0.288 40 HD2 PRO 25 1HD PRO 25 -8.371 19.095 1.922 41 HD3 PRO 25 2HD PRO 25 -9.221 20.655 1.712 42 H VAL 26 H VAL 26 -12.773 17.847 -1.372 43 HA VAL 26 HA VAL 26 -11.825 15.093 -1.020 44 HB VAL 26 HB VAL 26 -14.077 14.393 -1.648 45 HG11 VAL 26 1HG1 VAL 26 -13.558 15.010 0.695 46 HG12 VAL 26 2HG1 VAL 26 -14.154 16.657 0.384 47 HG13 VAL 26 3HG1 VAL 26 -15.258 15.274 0.269 48 HG21 VAL 26 3HG2 VAL 26 -15.876 16.009 -2.059 49 HG22 VAL 26 1HG2 VAL 26 -14.723 17.355 -2.025 50 HG23 VAL 26 2HG2 VAL 26 -14.643 16.140 -3.318 51 H VAL 27 H VAL 27 -11.158 17.154 -3.443 52 HA VAL 27 HA VAL 27 -10.600 15.124 -5.416 53 HB VAL 27 HB VAL 27 -13.029 15.326 -5.799 54 HG11 VAL 27 1HG1 VAL 27 -13.379 17.692 -5.119 55 HG12 VAL 27 2HG1 VAL 27 -12.558 18.223 -6.604 56 HG13 VAL 27 3HG1 VAL 27 -14.075 17.313 -6.700 57 HG21 VAL 27 3HG2 VAL 27 -12.996 15.576 -8.189 58 HG22 VAL 27 1HG2 VAL 27 -11.480 16.492 -8.136 59 HG23 VAL 27 2HG2 VAL 27 -11.503 14.774 -7.673 60 H GLY 28 H GLY 28 -9.126 15.778 -6.918 61 HA2 GLY 28 1HA GLY 28 -7.733 17.104 -8.173 62 HA3 GLY 28 2HA GLY 28 -8.735 18.505 -7.731 63 H SER 29 H SER 29 -7.629 17.127 -4.879 64 HA SER 29 HA SER 29 -5.916 19.429 -4.399 65 HB2 SER 29 1HB SER 29 -5.983 18.428 -2.053 66 HB3 SER 29 2HB SER 29 -7.523 18.927 -2.771 67 HG SER 29 HG SER 29 -7.655 16.857 -1.772 68 H ARG 30 H ARG 30 -5.404 15.908 -4.518 69 HA ARG 30 HA ARG 30 -2.480 16.270 -4.818 70 HB2 ARG 30 1HB ARG 30 -3.778 14.477 -2.728 71 HB3 ARG 30 2HB ARG 30 -2.097 14.366 -3.195 72 HG2 ARG 30 1HG ARG 30 -3.301 16.841 -1.873 73 HG3 ARG 30 2HG ARG 30 -2.569 15.501 -1.015 74 HD2 ARG 30 1HD ARG 30 -0.879 17.119 -1.138 75 HD3 ARG 30 2HD ARG 30 -0.434 15.872 -2.313 76 HE ARG 30 HE ARG 30 -2.008 18.034 -3.463 77 HH11 ARG 30 1HH1 ARG 30 1.339 17.252 -2.594 78 HH12 ARG 30 2HH1 ARG 30 1.985 18.381 -3.749 79 HH21 ARG 30 1HH2 ARG 30 -1.131 19.437 -4.898 80 HH22 ARG 30 2HH2 ARG 30 0.595 19.617 -5.042 81 H ASP 31 H ASP 31 -1.555 14.742 -6.079 82 HA ASP 31 HA ASP 31 -3.368 13.030 -7.634 83 HB2 ASP 31 1HB ASP 31 -1.768 14.724 -8.606 84 HB3 ASP 31 2HB ASP 31 -0.436 13.703 -8.068 85 H THR 32 H THR 32 -1.642 12.458 -4.947 86 HA THR 32 HA THR 32 -1.264 9.536 -5.445 87 HB THR 32 HB THR 32 0.916 9.669 -4.203 88 HG1 THR 32 1HG THR 32 1.897 11.744 -4.165 89 HG21 THR 32 3HG2 THR 32 2.259 10.331 -6.104 90 HG22 THR 32 1HG2 THR 32 0.820 9.485 -6.697 91 HG23 THR 32 2HG2 THR 32 0.917 11.257 -6.806 92 H MET 33 H MET 33 -1.131 12.049 -2.902 93 HA MET 33 HA MET 33 -1.210 10.481 -0.667 94 HB2 MET 33 1HB MET 33 -0.993 12.975 -0.813 95 HB3 MET 33 2HB MET 33 -2.752 13.082 -0.993 96 HG2 MET 33 1HG MET 33 -3.088 12.114 1.212 97 HG3 MET 33 2HG MET 33 -1.362 11.828 1.399 98 HE1 MET 33 3HE MET 33 0.155 15.238 2.187 99 HE2 MET 33 1HE MET 33 0.323 13.473 2.270 100 HE3 MET 33 2HE MET 33 0.236 14.287 0.691 101 H PHE 34 H PHE 34 -3.963 10.941 -2.761 102 HA PHE 34 HA PHE 34 -5.726 9.442 -0.870 103 HB2 PHE 34 1HB PHE 34 -6.530 11.493 -2.938 104 HB3 PHE 34 2HB PHE 34 -7.575 10.726 -1.739 105 HD1 PHE 34 2HD PHE 34 -6.469 10.998 0.820 106 HD2 PHE 34 1HD PHE 34 -6.066 13.724 -2.497 107 HE1 PHE 34 2HE PHE 34 -5.949 12.842 2.396 108 HE2 PHE 34 1HE PHE 34 -5.544 15.565 -0.915 109 HZ PHE 34 HZ PHE 34 -5.479 15.126 1.532 110 H THR 35 H THR 35 -3.943 8.684 -3.428 111 HA THR 35 HA THR 35 -5.962 6.789 -4.576 112 HB THR 35 HB THR 35 -4.795 7.081 -6.781 113 HG1 THR 35 1HG THR 35 -3.608 9.021 -7.008 114 HG21 THR 35 3HG2 THR 35 -5.992 9.109 -7.426 115 HG22 THR 35 1HG2 THR 35 -6.986 8.124 -6.344 116 HG23 THR 35 2HG2 THR 35 -6.180 9.585 -5.724 117 H LYS 36 H LYS 36 -2.614 7.384 -3.673 118 HA LYS 36 HA LYS 36 -1.730 4.692 -4.451 119 HB2 LYS 36 1HB LYS 36 -0.314 6.716 -4.739 120 HB3 LYS 36 2HB LYS 36 -0.323 6.961 -2.986 121 HG2 LYS 36 1HG LYS 36 0.809 4.761 -2.681 122 HG3 LYS 36 2HG LYS 36 0.829 4.535 -4.439 123 HD2 LYS 36 1HD LYS 36 2.233 6.533 -4.714 124 HD3 LYS 36 2HD LYS 36 2.129 6.879 -2.972 125 HE2 LYS 36 1HE LYS 36 3.246 4.722 -2.470 126 HE3 LYS 36 2HE LYS 36 3.356 4.365 -4.198 127 HZ1 LYS 36 3HZ LYS 36 5.407 5.290 -3.296 128 HZ2 LYS 36 1HZ LYS 36 4.803 6.261 -4.461 129 HZ3 LYS 36 2HZ LYS 36 4.656 6.686 -2.879 130 H ILE 37 H ILE 37 -1.672 2.994 -3.158 131 HA ILE 37 HA ILE 37 -2.387 3.207 -0.256 132 HB ILE 37 HB ILE 37 -3.187 0.961 -2.137 133 HG12 ILE 37 1HG1 ILE 37 -4.995 3.307 -1.430 134 HG13 ILE 37 2HG1 ILE 37 -4.230 3.084 -3.005 135 HG21 ILE 37 1HG2 ILE 37 -3.155 0.597 0.357 136 HG22 ILE 37 2HG2 ILE 37 -4.375 1.878 0.511 137 HG23 ILE 37 3HG2 ILE 37 -4.739 0.379 -0.368 138 HD11 ILE 37 3HD1 ILE 37 -6.464 2.290 -3.172 139 HD12 ILE 37 1HD1 ILE 37 -5.379 0.897 -3.273 140 HD13 ILE 37 2HD1 ILE 37 -6.278 1.232 -1.770 141 H PHE 38 H PHE 38 -0.905 2.386 1.029 142 HA PHE 38 HA PHE 38 1.158 0.449 0.128 143 HB2 PHE 38 1HB PHE 38 2.017 2.244 1.479 144 HB3 PHE 38 2HB PHE 38 0.685 2.133 2.609 145 HD1 PHE 38 1HD PHE 38 0.576 0.474 4.330 146 HD2 PHE 38 2HD PHE 38 3.984 0.587 1.635 147 HE1 PHE 38 1HE PHE 38 1.823 -1.050 5.832 148 HE2 PHE 38 2HE PHE 38 5.232 -0.796 3.241 149 HZ PHE 38 HZ PHE 38 4.176 -1.700 5.255 150 H VAL 39 H VAL 39 1.042 -1.682 0.722 151 HA VAL 39 HA VAL 39 -1.176 -2.588 2.517 152 HB VAL 39 HB VAL 39 -0.595 -3.814 -0.209 153 HG11 VAL 39 1HG1 VAL 39 -1.285 -5.568 1.250 154 HG12 VAL 39 2HG1 VAL 39 -2.441 -4.545 2.101 155 HG13 VAL 39 3HG1 VAL 39 -2.780 -5.081 0.445 156 HG21 VAL 39 3HG2 VAL 39 -2.834 -3.068 -0.847 157 HG22 VAL 39 1HG2 VAL 39 -3.001 -2.189 0.694 158 HG23 VAL 39 2HG2 VAL 39 -1.789 -1.696 -0.510 159 H GLY 40 H GLY 40 0.202 -3.125 4.164 160 HA2 GLY 40 1HA GLY 40 2.318 -5.184 3.598 161 HA3 GLY 40 2HA GLY 40 2.353 -4.128 4.984 162 H GLY 41 H GLY 41 2.752 -6.379 5.827 163 HA2 GLY 41 1HA GLY 41 2.038 -8.120 7.180 164 HA3 GLY 41 2HA GLY 41 0.369 -7.503 7.081 165 H LEU 42 H LEU 42 1.993 -8.145 4.104 166 HA LEU 42 HA LEU 42 0.174 -10.325 3.371 167 HB2 LEU 42 1HB LEU 42 2.559 -9.063 1.933 168 HB3 LEU 42 2HB LEU 42 1.447 -10.217 1.215 169 HG LEU 42 HG LEU 42 0.690 -7.416 2.168 170 HD11 LEU 42 1HD1 LEU 42 2.157 -7.430 0.169 171 HD12 LEU 42 2HD1 LEU 42 1.035 -8.532 -0.650 172 HD13 LEU 42 3HD1 LEU 42 0.517 -6.887 -0.223 173 HD21 LEU 42 3HD2 LEU 42 -1.444 -7.884 0.914 174 HD22 LEU 42 1HD2 LEU 42 -0.922 -9.569 0.723 175 HD23 LEU 42 2HD2 LEU 42 -1.242 -8.904 2.342 176 HA PRO 43 HA PRO 43 3.231 -13.515 4.325 177 HB2 PRO 43 1HB PRO 43 2.357 -15.611 2.885 178 HB3 PRO 43 2HB PRO 43 1.446 -14.998 4.296 179 HG2 PRO 43 1HG PRO 43 0.956 -14.412 1.370 180 HG3 PRO 43 2HG PRO 43 -0.243 -14.860 2.619 181 HD2 PRO 43 1HD PRO 43 0.238 -12.249 1.877 182 HD3 PRO 43 2HD PRO 43 -0.278 -12.711 3.517 183 H TYR 44 H TYR 44 5.118 -14.403 3.302 184 HA TYR 44 HA TYR 44 6.128 -12.724 1.257 185 HB2 TYR 44 1HB TYR 44 7.213 -15.317 2.397 186 HB3 TYR 44 2HB TYR 44 8.135 -14.234 1.375 187 HD1 TYR 44 2HD TYR 44 6.836 -11.636 2.951 188 HD2 TYR 44 1HD TYR 44 9.045 -15.191 4.008 189 HE1 TYR 44 2HE TYR 44 7.789 -10.468 4.918 190 HE2 TYR 44 1HE TYR 44 10.008 -14.010 5.965 191 HH TYR 44 HH TYR 44 10.111 -12.035 7.149 192 H HIS 45 H HIS 45 4.189 -15.434 0.678 193 HA HIS 45 HA HIS 45 5.398 -15.999 -1.970 194 HB2 HIS 45 1HB HIS 45 4.033 -17.923 -2.042 195 HB3 HIS 45 2HB HIS 45 4.738 -17.843 -0.434 196 HD2 HIS 45 2HD HIS 45 1.394 -17.613 -2.297 197 HE1 HIS 45 1HE HIS 45 0.418 -17.374 1.831 198 HE2 HIS 45 2HE HIS 45 -0.533 -17.509 -0.522 199 H THR 46 H THR 46 3.149 -13.740 -0.879 200 HA THR 46 HA THR 46 1.239 -13.716 -3.046 201 HB THR 46 HB THR 46 2.186 -11.403 -1.298 202 HG1 THR 46 1HG THR 46 0.304 -13.491 -0.971 203 HG21 THR 46 3HG2 THR 46 -0.072 -10.505 -1.620 204 HG22 THR 46 1HG2 THR 46 0.708 -10.686 -3.194 205 HG23 THR 46 2HG2 THR 46 -0.505 -11.872 -2.658 206 H SER 47 H SER 47 1.275 -12.690 -5.016 207 HA SER 47 HA SER 47 3.807 -11.308 -5.848 208 HB2 SER 47 1HB SER 47 1.873 -12.997 -7.473 209 HB3 SER 47 2HB SER 47 3.226 -12.070 -8.138 210 HG SER 47 HG SER 47 3.760 -14.294 -7.755 211 H ASP 48 H ASP 48 3.456 -9.803 -7.759 212 HA ASP 48 HA ASP 48 1.760 -7.650 -7.043 213 HB2 ASP 48 1HB ASP 48 2.439 -6.704 -9.183 214 HB3 ASP 48 2HB ASP 48 3.814 -7.392 -8.327 215 H LYS 49 H LYS 49 1.201 -10.320 -9.357 216 HA LYS 49 HA LYS 49 -1.336 -9.298 -10.307 217 HB2 LYS 49 1HB LYS 49 0.121 -10.919 -11.524 218 HB3 LYS 49 2HB LYS 49 -0.256 -12.151 -10.307 219 HG2 LYS 49 1HG LYS 49 -2.665 -12.002 -10.910 220 HG3 LYS 49 2HG LYS 49 -2.294 -10.731 -12.091 221 HD2 LYS 49 1HD LYS 49 -0.880 -12.320 -13.362 222 HD3 LYS 49 2HD LYS 49 -1.225 -13.589 -12.166 223 HE2 LYS 49 1HE LYS 49 -3.652 -13.411 -12.679 224 HE3 LYS 49 2HE LYS 49 -3.313 -12.147 -13.869 225 HZ1 LYS 49 3HZ LYS 49 -3.544 -14.314 -14.924 226 HZ2 LYS 49 1HZ LYS 49 -2.016 -13.775 -15.131 227 HZ3 LYS 49 2HZ LYS 49 -2.331 -14.944 -14.030 228 H THR 50 H THR 50 -0.422 -11.503 -7.647 229 HA THR 50 HA THR 50 -3.017 -12.354 -6.835 230 HB THR 50 HB THR 50 -0.739 -11.813 -4.910 231 HG1 THR 50 1HG THR 50 -0.953 -14.053 -6.634 232 HG21 THR 50 3HG2 THR 50 -1.519 -13.944 -3.903 233 HG22 THR 50 1HG2 THR 50 -2.795 -12.718 -3.927 234 HG23 THR 50 2HG2 THR 50 -2.815 -14.039 -5.115 235 H LEU 51 H LEU 51 -1.054 -9.524 -5.840 236 HA LEU 51 HA LEU 51 -3.119 -8.517 -4.091 237 HB2 LEU 51 1HB LEU 51 -0.642 -8.093 -3.838 238 HB3 LEU 51 2HB LEU 51 -0.691 -7.122 -5.311 239 HG LEU 51 HG LEU 51 -2.307 -5.557 -4.171 240 HD11 LEU 51 1HD1 LEU 51 -3.249 -7.053 -2.453 241 HD12 LEU 51 2HD1 LEU 51 -1.649 -7.203 -1.686 242 HD13 LEU 51 3HD1 LEU 51 -2.497 -5.640 -1.716 243 HD21 LEU 51 3HD2 LEU 51 -0.589 -4.507 -2.715 244 HD22 LEU 51 1HD2 LEU 51 0.381 -5.988 -2.810 245 HD23 LEU 51 2HD2 LEU 51 0.057 -5.030 -4.277 246 H HIS 52 H HIS 52 -2.290 -7.801 -7.492 247 HA HIS 52 HA HIS 52 -4.114 -5.635 -7.854 248 HB2 HIS 52 1HB HIS 52 -2.380 -6.291 -9.493 249 HB3 HIS 52 2HB HIS 52 -3.200 -7.814 -9.778 250 HD2 HIS 52 2HD HIS 52 -3.431 -4.083 -10.677 251 HE1 HIS 52 1HE HIS 52 -6.367 -6.115 -12.994 252 HE2 HIS 52 2HE HIS 52 -5.151 -3.903 -12.654 253 H GLU 53 H GLU 53 -4.591 -9.161 -7.956 254 HA GLU 53 HA GLU 53 -7.259 -9.123 -9.010 255 HB2 GLU 53 1HB GLU 53 -5.543 -11.165 -7.591 256 HB3 GLU 53 2HB GLU 53 -7.255 -11.503 -7.898 257 HG2 GLU 53 1HG GLU 53 -6.919 -11.064 -10.315 258 HG3 GLU 53 2HG GLU 53 -5.199 -10.815 -10.037 259 H TYR 54 H TYR 54 -6.085 -8.977 -5.613 260 HA TYR 54 HA TYR 54 -8.740 -9.329 -4.508 261 HB2 TYR 54 1HB TYR 54 -6.614 -9.803 -3.285 262 HB3 TYR 54 2HB TYR 54 -6.300 -8.071 -3.203 263 HD1 TYR 54 1HD TYR 54 -8.642 -10.785 -2.182 264 HD2 TYR 54 2HD TYR 54 -7.486 -6.674 -1.582 265 HE1 TYR 54 1HE TYR 54 -10.215 -10.628 -0.266 266 HE2 TYR 54 2HE TYR 54 -9.060 -6.511 0.337 267 HH TYR 54 HH TYR 54 -11.146 -9.265 1.332 268 H PHE 55 H PHE 55 -6.980 -6.489 -5.661 269 HA PHE 55 HA PHE 55 -8.797 -4.641 -4.315 270 HB2 PHE 55 1HB PHE 55 -6.260 -4.365 -5.900 271 HB3 PHE 55 2HB PHE 55 -7.297 -2.966 -5.690 272 HD1 PHE 55 2HD PHE 55 -5.795 -5.728 -3.574 273 HD2 PHE 55 1HD PHE 55 -6.985 -1.590 -3.837 274 HE1 PHE 55 2HE PHE 55 -4.991 -5.349 -1.266 275 HE2 PHE 55 1HE PHE 55 -6.153 -1.218 -1.530 276 HZ PHE 55 HZ PHE 55 -5.199 -3.103 -0.228 277 H GLU 56 H GLU 56 -9.110 -6.267 -7.282 278 HA GLU 56 HA GLU 56 -10.271 -4.202 -8.864 279 HB2 GLU 56 1HB GLU 56 -10.918 -7.173 -8.921 280 HB3 GLU 56 2HB GLU 56 -11.298 -5.980 -10.174 281 HG2 GLU 56 1HG GLU 56 -8.805 -5.546 -10.361 282 HG3 GLU 56 2HG GLU 56 -8.571 -6.994 -9.368 283 H GLN 57 H GLN 57 -11.588 -5.834 -6.116 284 HA GLN 57 HA GLN 57 -14.394 -5.400 -6.687 285 HB2 GLN 57 1HB GLN 57 -14.785 -6.191 -4.479 286 HB3 GLN 57 2HB GLN 57 -13.458 -7.148 -5.136 287 HG2 GLN 57 1HG GLN 57 -11.856 -5.590 -3.880 288 HG3 GLN 57 2HG GLN 57 -13.270 -4.859 -3.129 289 HE21 GLN 57 2HE2 GLN 57 -10.951 -7.318 -2.769 290 HE22 GLN 57 1HE2 GLN 57 -11.793 -8.213 -1.507 291 H PHE 58 H PHE 58 -11.912 -3.213 -5.693 292 HA PHE 58 HA PHE 58 -13.819 -1.350 -4.385 293 HB2 PHE 58 1HB PHE 58 -10.815 -1.118 -4.698 294 HB3 PHE 58 2HB PHE 58 -11.854 -0.186 -3.631 295 HD1 PHE 58 1HD PHE 58 -13.438 -1.922 -2.071 296 HD2 PHE 58 2HD PHE 58 -9.446 -2.597 -3.546 297 HE1 PHE 58 1HE PHE 58 -13.021 -3.522 -0.221 298 HE2 PHE 58 2HE PHE 58 -9.034 -4.211 -1.704 299 HZ PHE 58 HZ PHE 58 -10.825 -4.676 -0.039 300 H GLY 59 H GLY 59 -12.443 -1.850 -7.485 301 HA2 GLY 59 1HA GLY 59 -13.624 -0.356 -9.182 302 HA3 GLY 59 2HA GLY 59 -12.875 0.991 -8.328 303 H ASP 60 H ASP 60 -11.859 1.575 -10.249 304 HA ASP 60 HA ASP 60 -10.280 -0.200 -11.863 305 HB2 ASP 60 1HB ASP 60 -10.583 2.826 -11.800 306 HB3 ASP 60 2HB ASP 60 -9.673 1.934 -13.025 307 H ILE 61 H ILE 61 -8.217 -0.757 -11.751 308 HA ILE 61 HA ILE 61 -6.415 0.492 -9.727 309 HB ILE 61 HB ILE 61 -6.124 -2.144 -11.184 310 HG12 ILE 61 1HG1 ILE 61 -7.004 -1.717 -8.289 311 HG13 ILE 61 2HG1 ILE 61 -8.138 -2.040 -9.600 312 HG21 ILE 61 1HG2 ILE 61 -3.973 -1.243 -10.439 313 HG22 ILE 61 2HG2 ILE 61 -4.641 -0.854 -8.839 314 HG23 ILE 61 3HG2 ILE 61 -4.416 -2.535 -9.334 315 HD11 ILE 61 3HD1 ILE 61 -7.743 -4.109 -8.553 316 HD12 ILE 61 1HD1 ILE 61 -6.915 -4.170 -10.101 317 HD13 ILE 61 2HD1 ILE 61 -5.987 -3.919 -8.598 318 H GLU 62 H GLU 62 -4.743 1.685 -10.310 319 HA GLU 62 HA GLU 62 -4.169 2.298 -13.124 320 HB2 GLU 62 1HB GLU 62 -4.403 3.918 -11.120 321 HB3 GLU 62 2HB GLU 62 -2.804 3.393 -10.632 322 HG2 GLU 62 1HG GLU 62 -3.532 4.658 -13.308 323 HG3 GLU 62 2HG GLU 62 -2.909 5.528 -11.908 324 H GLU 63 H GLU 63 -2.517 0.918 -10.260 325 HA GLU 63 HA GLU 63 -0.818 -0.853 -11.787 326 HB2 GLU 63 1HB GLU 63 0.410 1.303 -12.056 327 HB3 GLU 63 2HB GLU 63 0.473 1.485 -10.300 328 HG2 GLU 63 1HG GLU 63 1.910 -0.478 -10.107 329 HG3 GLU 63 2HG GLU 63 1.680 -0.869 -11.815 330 H ALA 64 H ALA 64 0.219 -2.397 -10.369 331 HA ALA 64 HA ALA 64 -0.085 -2.128 -7.467 332 HB1 ALA 64 1HB ALA 64 -2.239 -3.129 -8.131 333 HB2 ALA 64 2HB ALA 64 -1.379 -4.387 -9.041 334 HB3 ALA 64 3HB ALA 64 -1.249 -4.327 -7.271 335 H VAL 65 H VAL 65 1.390 -3.338 -6.328 336 HA VAL 65 HA VAL 65 3.299 -5.157 -7.682 337 HB VAL 65 HB VAL 65 5.255 -3.859 -6.915 338 HG11 VAL 65 1HG1 VAL 65 4.502 -3.682 -9.273 339 HG12 VAL 65 2HG1 VAL 65 3.598 -2.206 -8.851 340 HG13 VAL 65 3HG1 VAL 65 5.361 -2.248 -8.693 341 HG21 VAL 65 3HG2 VAL 65 5.073 -1.470 -6.350 342 HG22 VAL 65 1HG2 VAL 65 3.306 -1.579 -6.372 343 HG23 VAL 65 2HG2 VAL 65 4.251 -2.469 -5.153 344 H VAL 66 H VAL 66 4.750 -6.228 -6.211 345 HA VAL 66 HA VAL 66 4.224 -5.903 -3.295 346 HB VAL 66 HB VAL 66 4.501 -8.571 -4.736 347 HG11 VAL 66 1HG1 VAL 66 5.803 -8.662 -2.643 348 HG12 VAL 66 2HG1 VAL 66 4.448 -7.948 -1.741 349 HG13 VAL 66 3HG1 VAL 66 4.303 -9.567 -2.438 350 HG21 VAL 66 3HG2 VAL 66 2.308 -9.053 -3.689 351 HG22 VAL 66 1HG2 VAL 66 2.273 -7.426 -2.981 352 HG23 VAL 66 2HG2 VAL 66 2.189 -7.638 -4.742 353 H ILE 67 H ILE 67 6.064 -5.760 -2.091 354 HA ILE 67 HA ILE 67 8.434 -5.061 -3.662 355 HB ILE 67 HB ILE 67 7.888 -4.847 -0.682 356 HG12 ILE 67 1HG1 ILE 67 6.355 -3.360 -1.753 357 HG13 ILE 67 2HG1 ILE 67 7.699 -2.405 -1.169 358 HG21 ILE 67 1HG2 ILE 67 10.276 -4.897 -1.061 359 HG22 ILE 67 2HG2 ILE 67 10.142 -3.734 -2.396 360 HG23 ILE 67 3HG2 ILE 67 9.795 -3.234 -0.728 361 HD11 ILE 67 3HD1 ILE 67 7.192 -1.465 -3.204 362 HD12 ILE 67 1HD1 ILE 67 8.640 -2.438 -3.546 363 HD13 ILE 67 2HD1 ILE 67 7.039 -3.038 -4.034 364 H THR 68 H THR 68 9.710 -6.557 -4.332 365 HA THR 68 HA THR 68 10.832 -8.601 -2.485 366 HB THR 68 HB THR 68 11.186 -9.970 -4.583 367 HG1 THR 68 1HG THR 68 9.804 -9.444 -6.330 368 HG21 THR 68 3HG2 THR 68 8.879 -10.838 -4.664 369 HG22 THR 68 1HG2 THR 68 9.383 -10.521 -3.000 370 HG23 THR 68 2HG2 THR 68 8.286 -9.389 -3.821 371 H ASP 69 H ASP 69 12.980 -8.803 -2.437 372 HA ASP 69 HA ASP 69 14.454 -6.511 -2.914 373 HB2 ASP 69 1HB ASP 69 14.958 -8.158 -1.212 374 HB3 ASP 69 2HB ASP 69 15.436 -9.322 -2.455 375 H ARG 70 H ARG 70 15.989 -5.766 -4.265 376 HA ARG 70 HA ARG 70 15.752 -6.278 -6.965 377 HB2 ARG 70 1HB ARG 70 17.946 -4.883 -5.406 378 HB3 ARG 70 2HB ARG 70 17.916 -4.900 -7.168 379 HG2 ARG 70 1HG ARG 70 15.657 -3.855 -5.441 380 HG3 ARG 70 2HG ARG 70 16.919 -2.850 -6.183 381 HD2 ARG 70 1HD ARG 70 16.150 -3.743 -8.429 382 HD3 ARG 70 2HD ARG 70 14.790 -4.510 -7.574 383 HE ARG 70 HE ARG 70 14.941 -1.729 -6.912 384 HH11 ARG 70 1HH1 ARG 70 13.922 -3.816 -9.583 385 HH12 ARG 70 2HH1 ARG 70 12.780 -2.650 -10.182 386 HH21 ARG 70 1HH2 ARG 70 13.447 -0.257 -7.755 387 HH22 ARG 70 2HH2 ARG 70 12.520 -0.673 -9.161 388 H ASN 71 H ASN 71 17.886 -7.996 -4.772 389 HA ASN 71 HA ASN 71 19.270 -9.348 -7.071 390 HB2 ASN 71 1HB ASN 71 20.430 -8.355 -4.439 391 HB3 ASN 71 2HB ASN 71 21.286 -9.387 -5.582 392 HD21 ASN 71 2HD2 ASN 71 22.049 -8.497 -7.591 393 HD22 ASN 71 1HD2 ASN 71 22.048 -6.764 -7.859 394 H THR 72 H THR 72 17.733 -9.814 -3.941 395 HA THR 72 HA THR 72 18.200 -12.781 -4.139 396 HB THR 72 HB THR 72 17.404 -12.790 -1.710 397 HG1 THR 72 1HG THR 72 17.921 -10.021 -1.950 398 HG21 THR 72 3HG2 THR 72 19.551 -12.020 -0.808 399 HG22 THR 72 1HG2 THR 72 19.820 -12.939 -2.300 400 HG23 THR 72 2HG2 THR 72 19.924 -11.164 -2.320 401 H GLN 73 H GLN 73 15.731 -10.422 -4.525 402 HA GLN 73 HA GLN 73 13.518 -10.505 -4.919 403 HB2 GLN 73 1HB GLN 73 14.269 -13.298 -5.853 404 HB3 GLN 73 2HB GLN 73 12.663 -12.625 -6.074 405 HG2 GLN 73 1HG GLN 73 15.134 -11.164 -7.089 406 HG3 GLN 73 2HG GLN 73 14.313 -12.408 -8.023 407 HE21 GLN 73 2HE2 GLN 73 13.949 -9.078 -6.734 408 HE22 GLN 73 1HE2 GLN 73 12.495 -8.748 -7.665 409 H LYS 74 H LYS 74 14.572 -11.669 -2.165 410 HA LYS 74 HA LYS 74 12.248 -13.131 -1.276 411 HB2 LYS 74 1HB LYS 74 13.325 -13.434 0.654 412 HB3 LYS 74 2HB LYS 74 14.721 -13.047 -0.338 413 HG2 LYS 74 1HG LYS 74 13.311 -11.117 1.546 414 HG3 LYS 74 2HG LYS 74 14.770 -12.062 1.901 415 HD2 LYS 74 1HD LYS 74 16.130 -10.852 0.500 416 HD3 LYS 74 2HD LYS 74 14.783 -10.230 -0.450 417 HE2 LYS 74 1HE LYS 74 15.679 -8.400 0.822 418 HE3 LYS 74 2HE LYS 74 14.088 -8.802 1.470 419 HZ1 LYS 74 3HZ LYS 74 15.735 -8.475 3.235 420 HZ2 LYS 74 1HZ LYS 74 15.208 -10.022 3.268 421 HZ3 LYS 74 2HZ LYS 74 16.680 -9.668 2.645 422 H SER 75 H SER 75 10.397 -12.426 -0.257 423 HA SER 75 HA SER 75 9.576 -9.670 -0.785 424 HB2 SER 75 1HB SER 75 7.991 -11.488 -1.042 425 HB3 SER 75 2HB SER 75 8.190 -11.939 0.663 426 HG SER 75 HG SER 75 6.329 -10.484 -0.009 427 H ARG 76 H ARG 76 9.174 -8.026 0.606 428 HA ARG 76 HA ARG 76 10.229 -8.228 3.388 429 HB2 ARG 76 1HB ARG 76 9.434 -5.857 1.665 430 HB3 ARG 76 2HB ARG 76 9.819 -5.743 3.383 431 HG2 ARG 76 1HG ARG 76 11.996 -7.187 2.423 432 HG3 ARG 76 2HG ARG 76 11.643 -6.105 1.071 433 HD2 ARG 76 1HD ARG 76 11.780 -4.156 2.561 434 HD3 ARG 76 2HD ARG 76 11.935 -5.215 3.972 435 HE ARG 76 HE ARG 76 14.005 -5.519 1.887 436 HH11 ARG 76 1HH1 ARG 76 13.240 -3.977 4.983 437 HH12 ARG 76 2HH1 ARG 76 14.917 -3.672 5.333 438 HH21 ARG 76 1HH2 ARG 76 16.067 -5.013 2.324 439 HH22 ARG 76 2HH2 ARG 76 16.524 -4.280 3.845 440 H GLY 77 H GLY 77 7.356 -9.037 2.054 441 HA2 GLY 77 1HA GLY 77 5.417 -9.648 3.187 442 HA3 GLY 77 2HA GLY 77 5.965 -8.759 4.630 443 H TYR 78 H TYR 78 5.992 -6.884 1.749 444 HA TYR 78 HA TYR 78 3.227 -5.988 1.960 445 HB2 TYR 78 1HB TYR 78 3.697 -3.761 2.555 446 HB3 TYR 78 2HB TYR 78 4.659 -4.704 3.671 447 HD1 TYR 78 1HD TYR 78 7.198 -4.917 3.204 448 HD2 TYR 78 2HD TYR 78 4.604 -2.185 1.116 449 HE1 TYR 78 1HE TYR 78 9.177 -3.551 2.518 450 HE2 TYR 78 2HE TYR 78 6.564 -0.785 0.525 451 HH TYR 78 HH TYR 78 9.908 -1.635 1.427 452 H GLY 79 H GLY 79 2.620 -4.387 0.432 453 HA2 GLY 79 1HA GLY 79 4.228 -4.032 -2.040 454 HA3 GLY 79 2HA GLY 79 2.634 -4.786 -2.140 455 H PHE 80 H PHE 80 2.539 -2.875 -3.603 456 HA PHE 80 HA PHE 80 1.057 -0.718 -2.234 457 HB2 PHE 80 1HB PHE 80 3.342 -0.366 -4.182 458 HB3 PHE 80 2HB PHE 80 2.016 0.771 -4.199 459 HD1 PHE 80 2HD PHE 80 1.562 2.287 -2.368 460 HD2 PHE 80 1HD PHE 80 4.940 -0.400 -2.256 461 HE1 PHE 80 2HE PHE 80 2.575 3.637 -0.547 462 HE2 PHE 80 1HE PHE 80 5.949 0.982 -0.456 463 HZ PHE 80 HZ PHE 80 4.776 2.985 0.404 464 H VAL 81 H VAL 81 -0.639 0.102 -3.347 465 HA VAL 81 HA VAL 81 -1.259 -0.869 -6.103 466 HB VAL 81 HB VAL 81 -3.333 -0.775 -3.864 467 HG11 VAL 81 1HG1 VAL 81 -4.282 -0.255 -6.077 468 HG12 VAL 81 2HG1 VAL 81 -3.522 -1.703 -6.766 469 HG13 VAL 81 3HG1 VAL 81 -4.812 -1.854 -5.559 470 HG21 VAL 81 3HG2 VAL 81 -3.485 -3.251 -4.138 471 HG22 VAL 81 1HG2 VAL 81 -2.051 -3.203 -5.185 472 HG23 VAL 81 2HG2 VAL 81 -1.940 -2.728 -3.472 473 H THR 82 H THR 82 -2.049 0.792 -7.389 474 HA THR 82 HA THR 82 -2.869 3.352 -6.054 475 HB THR 82 HB THR 82 -1.328 3.135 -8.669 476 HG1 THR 82 1HG THR 82 -0.002 2.737 -6.901 477 HG21 THR 82 3HG2 THR 82 -1.127 5.599 -8.398 478 HG22 THR 82 1HG2 THR 82 -2.811 5.110 -8.611 479 HG23 THR 82 2HG2 THR 82 -2.210 5.536 -6.992 480 H MET 83 H MET 83 -4.745 4.174 -6.702 481 HA MET 83 HA MET 83 -6.350 2.571 -8.654 482 HB2 MET 83 1HB MET 83 -7.328 4.417 -6.455 483 HB3 MET 83 2HB MET 83 -8.280 3.314 -7.429 484 HG2 MET 83 1HG MET 83 -6.130 2.537 -5.431 485 HG3 MET 83 2HG MET 83 -7.860 2.431 -5.169 486 HE1 MET 83 3HE MET 83 -9.040 -0.541 -7.263 487 HE2 MET 83 1HE MET 83 -9.417 0.656 -6.000 488 HE3 MET 83 2HE MET 83 -9.119 1.185 -7.673 489 H LYS 84 H LYS 84 -7.637 3.537 -10.228 490 HA LYS 84 HA LYS 84 -6.430 5.880 -11.437 491 HB2 LYS 84 1HB LYS 84 -8.883 4.254 -12.194 492 HB3 LYS 84 2HB LYS 84 -8.195 5.551 -13.177 493 HG2 LYS 84 1HG LYS 84 -5.983 4.237 -13.124 494 HG3 LYS 84 2HG LYS 84 -6.937 2.881 -12.489 495 HD2 LYS 84 1HD LYS 84 -8.415 3.051 -14.525 496 HD3 LYS 84 2HD LYS 84 -7.365 4.339 -15.138 497 HE2 LYS 84 1HE LYS 84 -5.429 2.776 -15.105 498 HE3 LYS 84 2HE LYS 84 -6.477 1.491 -14.489 499 HZ1 LYS 84 3HZ LYS 84 -6.199 1.325 -16.885 500 HZ2 LYS 84 1HZ LYS 84 -7.766 1.640 -16.545 501 HZ3 LYS 84 2HZ LYS 84 -6.796 2.828 -17.119 502 H ASP 85 H ASP 85 -8.986 5.641 -9.178 503 HA ASP 85 HA ASP 85 -9.339 8.575 -9.327 504 HB2 ASP 85 1HB ASP 85 -11.294 7.520 -10.519 505 HB3 ASP 85 2HB ASP 85 -11.708 6.690 -9.021 506 H ARG 86 H ARG 86 -9.871 9.530 -7.383 507 HA ARG 86 HA ARG 86 -8.808 8.541 -4.964 508 HB2 ARG 86 1HB ARG 86 -10.853 10.688 -5.633 509 HB3 ARG 86 2HB ARG 86 -10.573 10.207 -3.964 510 HG2 ARG 86 1HG ARG 86 -8.096 10.629 -4.332 511 HG3 ARG 86 2HG ARG 86 -8.511 11.352 -5.886 512 HD2 ARG 86 1HD ARG 86 -8.226 13.057 -4.132 513 HD3 ARG 86 2HD ARG 86 -9.883 13.055 -4.753 514 HE ARG 86 HE ARG 86 -10.163 11.417 -2.614 515 HH11 ARG 86 1HH1 ARG 86 -8.663 14.640 -2.713 516 HH12 ARG 86 2HH1 ARG 86 -9.284 15.020 -1.134 517 HH21 ARG 86 1HH2 ARG 86 -10.788 11.892 -0.698 518 HH22 ARG 86 2HH2 ARG 86 -10.373 13.417 0.085 519 H ALA 87 H ALA 87 -12.223 8.332 -6.132 520 HA ALA 87 HA ALA 87 -13.155 7.433 -3.562 521 HB1 ALA 87 1HB ALA 87 -14.588 8.580 -5.221 522 HB2 ALA 87 2HB ALA 87 -14.449 7.189 -6.321 523 HB3 ALA 87 3HB ALA 87 -15.276 7.013 -4.755 524 H SER 88 H SER 88 -11.765 5.655 -6.282 525 HA SER 88 HA SER 88 -12.614 3.036 -5.341 526 HB2 SER 88 1HB SER 88 -10.412 3.856 -7.251 527 HB3 SER 88 2HB SER 88 -11.027 2.204 -7.014 528 HG SER 88 HG SER 88 -11.943 3.621 -8.809 529 H ALA 89 H ALA 89 -9.827 5.123 -4.600 530 HA ALA 89 HA ALA 89 -8.531 3.024 -2.985 531 HB1 ALA 89 1HB ALA 89 -7.181 4.768 -4.108 532 HB2 ALA 89 2HB ALA 89 -8.032 6.025 -3.179 533 HB3 ALA 89 3HB ALA 89 -6.998 4.843 -2.350 534 H GLU 90 H GLU 90 -10.671 5.816 -2.441 535 HA GLU 90 HA GLU 90 -10.855 5.612 0.397 536 HB2 GLU 90 1HB GLU 90 -12.856 6.587 -1.668 537 HB3 GLU 90 2HB GLU 90 -13.043 6.801 0.074 538 HG2 GLU 90 1HG GLU 90 -11.049 8.098 0.231 539 HG3 GLU 90 2HG GLU 90 -10.581 7.817 -1.418 540 H ARG 91 H ARG 91 -12.706 3.922 -2.178 541 HA ARG 91 HA ARG 91 -14.303 2.296 -0.424 542 HB2 ARG 91 1HB ARG 91 -13.414 2.044 -3.308 543 HB3 ARG 91 2HB ARG 91 -14.269 0.724 -2.509 544 HG2 ARG 91 1HG ARG 91 -16.142 2.192 -1.941 545 HG3 ARG 91 2HG ARG 91 -15.361 3.565 -2.726 546 HD2 ARG 91 1HD ARG 91 -16.081 0.957 -4.140 547 HD3 ARG 91 2HD ARG 91 -17.145 2.352 -4.080 548 HE ARG 91 HE ARG 91 -14.633 2.056 -5.616 549 HH11 ARG 91 1HH1 ARG 91 -17.287 4.235 -4.755 550 HH12 ARG 91 2HH1 ARG 91 -16.974 5.298 -6.092 551 HH21 ARG 91 1HH2 ARG 91 -14.179 3.582 -7.244 552 HH22 ARG 91 2HH2 ARG 91 -15.275 4.902 -7.489 553 H ALA 92 H ALA 92 -10.963 1.856 -1.622 554 HA ALA 92 HA ALA 92 -10.732 -0.869 -0.685 555 HB1 ALA 92 1HB ALA 92 -9.382 0.113 -2.534 556 HB2 ALA 92 2HB ALA 92 -8.565 1.160 -1.352 557 HB3 ALA 92 3HB ALA 92 -8.388 -0.602 -1.252 558 H CYS 93 H CYS 93 -9.946 2.260 0.857 559 HA CYS 93 HA CYS 93 -8.584 1.018 3.073 560 HB2 CYS 93 1HB CYS 93 -8.305 3.205 3.914 561 HB3 CYS 93 2HB CYS 93 -8.230 3.358 2.153 562 HG CYS 93 HG CYS 93 -10.936 3.933 1.992 563 H LYS 94 H LYS 94 -11.886 0.971 2.490 564 HA LYS 94 HA LYS 94 -13.004 1.460 5.067 565 HB2 LYS 94 1HB LYS 94 -13.956 -0.383 2.828 566 HB3 LYS 94 2HB LYS 94 -14.927 0.140 4.193 567 HG2 LYS 94 1HG LYS 94 -13.830 1.893 1.968 568 HG3 LYS 94 2HG LYS 94 -15.504 1.405 2.204 569 HD2 LYS 94 1HD LYS 94 -15.536 2.691 4.364 570 HD3 LYS 94 2HD LYS 94 -13.882 3.253 4.011 571 HE2 LYS 94 1HE LYS 94 -14.673 4.232 1.871 572 HE3 LYS 94 2HE LYS 94 -16.322 3.709 2.239 573 HZ1 LYS 94 3HZ LYS 94 -15.972 6.024 2.859 574 HZ2 LYS 94 1HZ LYS 94 -16.262 5.147 4.206 575 HZ3 LYS 94 2HZ LYS 94 -14.738 5.633 3.856 576 H ASP 95 H ASP 95 -11.407 -1.404 3.872 577 HA ASP 95 HA ASP 95 -11.715 -2.656 6.577 578 HB2 ASP 95 1HB ASP 95 -12.898 -3.948 4.894 579 HB3 ASP 95 2HB ASP 95 -11.421 -4.108 3.942 580 HA PRO 96 HA PRO 96 -7.305 -1.665 6.084 581 HB2 PRO 96 1HB PRO 96 -6.613 -1.410 8.701 582 HB3 PRO 96 2HB PRO 96 -7.571 -0.172 7.831 583 HG2 PRO 96 1HG PRO 96 -8.597 -2.396 9.626 584 HG3 PRO 96 2HG PRO 96 -9.023 -0.654 9.671 585 HD2 PRO 96 1HD PRO 96 -10.556 -2.523 8.382 586 HD3 PRO 96 2HD PRO 96 -10.390 -0.853 7.762 587 H ASN 97 H ASN 97 -8.774 -4.448 7.658 588 HA ASN 97 HA ASN 97 -6.186 -5.912 7.511 589 HB2 ASN 97 1HB ASN 97 -8.120 -6.165 9.827 590 HB3 ASN 97 2HB ASN 97 -6.588 -6.998 9.614 591 HD21 ASN 97 2HD2 ASN 97 -4.628 -5.305 9.218 592 HD22 ASN 97 1HD2 ASN 97 -4.631 -4.010 10.408 593 HA PRO 98 HA PRO 98 -9.684 -8.041 5.332 594 HB2 PRO 98 1HB PRO 98 -8.613 -8.229 2.826 595 HB3 PRO 98 2HB PRO 98 -9.368 -6.725 3.452 596 HG2 PRO 98 1HG PRO 98 -6.423 -7.475 3.400 597 HG3 PRO 98 2HG PRO 98 -7.190 -5.961 2.824 598 HD2 PRO 98 1HD PRO 98 -6.046 -6.170 5.283 599 HD3 PRO 98 2HD PRO 98 -7.534 -5.229 5.030 600 H ILE 99 H ILE 99 -6.502 -9.114 5.966 601 HA ILE 99 HA ILE 99 -5.465 -11.141 6.044 602 HB ILE 99 HB ILE 99 -8.067 -12.579 5.740 603 HG12 ILE 99 1HG1 ILE 99 -8.703 -10.922 7.329 604 HG13 ILE 99 2HG1 ILE 99 -8.458 -12.438 8.165 605 HG21 ILE 99 1HG2 ILE 99 -6.013 -13.945 5.890 606 HG22 ILE 99 2HG2 ILE 99 -5.553 -13.124 7.386 607 HG23 ILE 99 3HG2 ILE 99 -6.999 -14.150 7.337 608 HD11 ILE 99 3HD1 ILE 99 -7.602 -10.610 9.506 609 HD12 ILE 99 1HD1 ILE 99 -6.228 -11.595 8.978 610 HD13 ILE 99 2HD1 ILE 99 -6.590 -10.037 8.179 611 H ILE 100 H ILE 100 -4.872 -10.172 3.827 612 HA ILE 100 HA ILE 100 -5.845 -11.569 1.435 613 HB ILE 100 HB ILE 100 -3.623 -9.558 1.901 614 HG12 ILE 100 1HG1 ILE 100 -6.099 -9.311 0.141 615 HG13 ILE 100 2HG1 ILE 100 -6.180 -8.969 1.854 616 HG21 ILE 100 1HG2 ILE 100 -2.841 -11.003 0.071 617 HG22 ILE 100 2HG2 ILE 100 -4.418 -10.882 -0.739 618 HG23 ILE 100 3HG2 ILE 100 -3.361 -9.464 -0.595 619 HD11 ILE 100 3HD1 ILE 100 -5.850 -6.889 0.655 620 HD12 ILE 100 1HD1 ILE 100 -4.389 -7.235 1.599 621 HD13 ILE 100 2HD1 ILE 100 -4.409 -7.518 -0.157 622 H ASP 101 H ASP 101 -5.226 -13.437 0.733 623 HA ASP 101 HA ASP 101 -4.099 -15.303 0.250 624 HB2 ASP 101 1HB ASP 101 -2.546 -13.366 -0.524 625 HB3 ASP 101 2HB ASP 101 -1.507 -13.846 0.798 626 H GLY 102 H GLY 102 -4.564 -14.555 3.221 627 HA2 GLY 102 1HA GLY 102 -4.746 -16.087 4.985 628 HA3 GLY 102 2HA GLY 102 -3.437 -17.071 4.308 629 H ARG 103 H ARG 103 -3.314 -13.557 5.063 630 HA ARG 103 HA ARG 103 -2.152 -14.010 7.688 631 HB2 ARG 103 1HB ARG 103 -0.156 -14.217 6.055 632 HB3 ARG 103 2HB ARG 103 -0.394 -12.498 5.715 633 HG2 ARG 103 1HG ARG 103 -0.105 -12.042 8.196 634 HG3 ARG 103 2HG ARG 103 0.217 -13.768 8.420 635 HD2 ARG 103 1HD ARG 103 2.158 -13.482 6.775 636 HD3 ARG 103 2HD ARG 103 1.862 -11.749 6.841 637 HE ARG 103 HE ARG 103 2.583 -11.668 9.106 638 HH11 ARG 103 1HH1 ARG 103 2.813 -14.997 7.892 639 HH12 ARG 103 2HH1 ARG 103 3.833 -15.490 9.208 640 HH21 ARG 103 1HH2 ARG 103 3.918 -12.404 10.788 641 HH22 ARG 103 2HH2 ARG 103 4.436 -14.052 10.795 642 H LYS 104 H LYS 104 -2.368 -12.168 9.007 643 HA LYS 104 HA LYS 104 -4.391 -10.336 8.199 644 HB2 LYS 104 1HB LYS 104 -4.072 -11.088 10.507 645 HB3 LYS 104 2HB LYS 104 -2.553 -10.177 10.603 646 HG2 LYS 104 1HG LYS 104 -3.753 -8.055 10.309 647 HG3 LYS 104 2HG LYS 104 -5.254 -8.901 9.929 648 HD2 LYS 104 1HD LYS 104 -5.315 -8.006 12.188 649 HD3 LYS 104 2HD LYS 104 -5.402 -9.775 12.207 650 HE2 LYS 104 1HE LYS 104 -2.999 -9.907 12.764 651 HE3 LYS 104 2HE LYS 104 -2.859 -8.145 12.674 652 HZ1 LYS 104 3HZ LYS 104 -3.109 -8.902 14.965 653 HZ2 LYS 104 1HZ LYS 104 -4.403 -7.998 14.552 654 HZ3 LYS 104 2HZ LYS 104 -4.534 -9.627 14.631 655 H ALA 105 H ALA 105 -4.080 -9.053 6.557 656 HA ALA 105 HA ALA 105 -1.629 -7.583 6.082 657 HB1 ALA 105 1HB ALA 105 -2.936 -8.571 4.251 658 HB2 ALA 105 2HB ALA 105 -4.327 -7.538 4.661 659 HB3 ALA 105 3HB ALA 105 -2.821 -6.818 4.060 660 H ASN 106 H ASN 106 -1.901 -5.231 5.451 661 HA ASN 106 HA ASN 106 -3.467 -3.616 7.401 662 HB2 ASN 106 1HB ASN 106 -1.385 -4.181 8.518 663 HB3 ASN 106 2HB ASN 106 -0.460 -3.728 7.086 664 HD21 ASN 106 2HD2 ASN 106 0.734 -2.097 8.004 665 HD22 ASN 106 1HD2 ASN 106 0.023 -0.579 8.584 666 H VAL 107 H VAL 107 -4.661 -2.709 5.832 667 HA VAL 107 HA VAL 107 -3.421 -1.596 3.351 668 HB VAL 107 HB VAL 107 -6.321 -2.219 4.053 669 HG11 VAL 107 1HG1 VAL 107 -6.280 -0.332 2.470 670 HG12 VAL 107 2HG1 VAL 107 -5.111 -1.191 1.445 671 HG13 VAL 107 3HG1 VAL 107 -6.769 -1.798 1.621 672 HG21 VAL 107 3HG2 VAL 107 -6.115 -3.993 2.359 673 HG22 VAL 107 1HG2 VAL 107 -4.418 -3.571 2.104 674 HG23 VAL 107 2HG2 VAL 107 -4.940 -4.249 3.662 675 H ASN 108 H ASN 108 -3.105 0.532 3.189 676 HA ASN 108 HA ASN 108 -5.119 2.441 4.001 677 HB2 ASN 108 1HB ASN 108 -3.708 3.775 5.515 678 HB3 ASN 108 2HB ASN 108 -4.124 2.217 6.190 679 HD21 ASN 108 2HD2 ASN 108 -1.416 4.179 4.873 680 HD22 ASN 108 1HD2 ASN 108 -0.204 3.179 5.670 681 H LEU 109 H LEU 109 -4.747 4.588 3.280 682 HA LEU 109 HA LEU 109 -3.305 4.996 0.838 683 HB2 LEU 109 1HB LEU 109 -4.304 6.898 2.997 684 HB3 LEU 109 2HB LEU 109 -3.602 7.442 1.478 685 HG LEU 109 HG LEU 109 -6.099 5.698 1.635 686 HD11 LEU 109 1HD1 LEU 109 -6.526 7.861 2.691 687 HD12 LEU 109 2HD1 LEU 109 -5.821 8.714 1.304 688 HD13 LEU 109 3HD1 LEU 109 -7.330 7.792 1.114 689 HD21 LEU 109 3HD2 LEU 109 -6.405 6.516 -0.727 690 HD22 LEU 109 1HD2 LEU 109 -4.779 7.229 -0.653 691 HD23 LEU 109 2HD2 LEU 109 -4.991 5.474 -0.528 692 H ALA 110 H ALA 110 -1.295 5.725 0.435 693 HA ALA 110 HA ALA 110 0.830 4.857 1.821 694 HB1 ALA 110 1HB ALA 110 0.893 5.634 -0.467 695 HB2 ALA 110 2HB ALA 110 0.797 7.330 0.048 696 HB3 ALA 110 3HB ALA 110 2.233 6.351 0.447 697 H TYR 111 H TYR 111 1.029 8.435 1.900 698 HA TYR 111 HA TYR 111 2.598 9.156 3.718 699 HB2 TYR 111 1HB TYR 111 1.468 11.154 3.866 700 HB3 TYR 111 2HB TYR 111 1.023 10.465 2.331 701 HD1 TYR 111 2HD TYR 111 -1.301 8.946 2.467 702 HD2 TYR 111 1HD TYR 111 -0.206 12.209 5.075 703 HE1 TYR 111 2HE TYR 111 -3.678 9.283 3.043 704 HE2 TYR 111 1HE TYR 111 -2.604 12.585 5.599 705 HH TYR 111 HH TYR 111 -5.212 10.551 4.200 706 H LEU 112 H LEU 112 0.606 6.911 5.430 707 HA LEU 112 HA LEU 112 0.151 8.640 7.760 708 HB2 LEU 112 1HB LEU 112 -0.488 5.675 7.570 709 HB3 LEU 112 2HB LEU 112 -1.160 6.891 8.650 710 HG LEU 112 HG LEU 112 -1.643 6.476 5.708 711 HD11 LEU 112 1HD1 LEU 112 -2.959 5.116 7.302 712 HD12 LEU 112 2HD1 LEU 112 -3.594 6.613 8.025 713 HD13 LEU 112 3HD1 LEU 112 -3.963 6.220 6.328 714 HD21 LEU 112 3HD2 LEU 112 -3.198 8.419 5.775 715 HD22 LEU 112 1HD2 LEU 112 -2.460 8.894 7.329 716 HD23 LEU 112 2HD2 LEU 112 -1.485 8.824 5.836 717 H GLY 113 H GLY 113 1.426 5.302 7.713 718 HA2 GLY 113 1HA GLY 113 3.374 5.893 9.858 719 HA3 GLY 113 2HA GLY 113 3.004 4.311 9.119 720 H ALA 114 H ALA 114 3.486 6.688 6.760 721 HA ALA 114 HA ALA 114 5.773 5.440 5.655 722 HB1 ALA 114 1HB ALA 114 4.067 6.681 4.344 723 HB2 ALA 114 2HB ALA 114 4.584 8.201 5.113 724 HB3 ALA 114 3HB ALA 114 5.694 7.314 4.048 725 H LYS 115 H LYS 115 7.920 5.726 5.943 726 HA LYS 115 HA LYS 115 8.718 7.449 8.161 727 HB2 LYS 115 1HB LYS 115 10.709 6.086 8.298 728 HB3 LYS 115 2HB LYS 115 9.240 5.148 8.301 729 HG2 LYS 115 1HG LYS 115 10.771 3.916 7.069 730 HG3 LYS 115 2HG LYS 115 9.652 4.572 5.872 731 HD2 LYS 115 1HD LYS 115 11.297 6.159 5.099 732 HD3 LYS 115 2HD LYS 115 12.305 5.908 6.534 733 HE2 LYS 115 1HE LYS 115 13.290 4.895 4.546 734 HE3 LYS 115 2HE LYS 115 12.936 3.688 5.791 735 HZ1 LYS 115 3HZ LYS 115 12.265 3.094 3.450 736 HZ2 LYS 115 1HZ LYS 115 11.094 2.922 4.577 737 HZ3 LYS 115 2HZ LYS 115 11.075 4.227 3.557 738 HA PRO 116 HA PRO 116 10.939 10.674 6.044 739 HB2 PRO 116 1HB PRO 116 13.307 9.902 7.764 740 HB3 PRO 116 2HB PRO 116 12.628 11.527 7.443 741 HG2 PRO 116 1HG PRO 116 12.093 10.242 9.772 742 HG3 PRO 116 2HG PRO 116 10.793 11.130 8.910 743 HD2 PRO 116 1HD PRO 116 11.315 8.143 8.936 744 HD3 PRO 116 2HD PRO 116 9.778 9.045 9.043 745 H ARG 117 H ARG 117 11.922 10.674 4.083 746 HA ARG 117 HA ARG 117 14.036 8.719 3.413 747 HB2 ARG 117 1HB ARG 117 11.566 7.852 3.045 748 HB3 ARG 117 2HB ARG 117 11.622 8.815 1.589 749 HG2 ARG 117 1HG ARG 117 13.492 6.531 2.385 750 HG3 ARG 117 2HG ARG 117 12.168 6.451 1.239 751 HD2 ARG 117 1HD ARG 117 14.021 6.532 -0.146 752 HD3 ARG 117 2HD ARG 117 13.416 8.179 -0.181 753 HE ARG 117 HE ARG 117 15.421 8.895 0.728 754 HH11 ARG 117 1HH1 ARG 117 15.293 5.401 1.325 755 HH12 ARG 117 2HH1 ARG 117 16.908 5.383 1.970 756 HH21 ARG 117 1HH2 ARG 117 17.396 8.812 1.585 757 HH22 ARG 117 2HH2 ARG 117 18.106 7.300 2.114 758 H THR 118 H THR 118 14.927 10.964 3.694 759 HA THR 118 HA THR 118 14.745 12.905 1.528 760 HB THR 118 HB THR 118 16.771 13.870 2.656 761 HG1 THR 118 1HG THR 118 17.415 12.881 4.594 762 HG21 THR 118 3HG2 THR 118 15.638 14.558 4.699 763 HG22 THR 118 1HG2 THR 118 14.462 14.493 3.378 764 HG23 THR 118 2HG2 THR 118 14.504 13.195 4.593 765 H ASN 119 H ASN 119 16.761 13.554 0.357 766 HA ASN 119 HA ASN 119 18.715 11.538 -0.329 767 HB2 ASN 119 1HB ASN 119 18.049 11.278 -2.731 768 HB3 ASN 119 2HB ASN 119 17.025 10.467 -1.566 769 HD21 ASN 119 2HD2 ASN 119 15.541 10.389 -3.496 770 HD22 ASN 119 1HD2 ASN 119 14.489 11.774 -3.743 771 H VAL 120 H VAL 120 17.181 14.390 -1.880 772 HA VAL 120 HA VAL 120 19.834 15.783 -1.879 773 HB VAL 120 HB VAL 120 19.434 16.624 -4.152 774 HG11 VAL 120 1HG1 VAL 120 20.797 14.587 -3.828 775 HG12 VAL 120 2HG1 VAL 120 19.353 13.586 -4.116 776 HG13 VAL 120 3HG1 VAL 120 19.981 14.635 -5.399 777 HG21 VAL 120 3HG2 VAL 120 17.718 15.709 -5.617 778 HG22 VAL 120 1HG2 VAL 120 17.078 14.692 -4.316 779 HG23 VAL 120 2HG2 VAL 120 16.939 16.461 -4.220 780 H GLN 121 H GLN 121 17.119 16.019 -0.380 781 HA GLN 121 HA GLN 121 16.983 18.896 -0.155 782 HB2 GLN 121 1HB GLN 121 15.683 18.503 -2.265 783 HB3 GLN 121 2HB GLN 121 14.596 17.432 -1.371 784 HG2 GLN 121 1HG GLN 121 13.893 19.328 0.060 785 HG3 GLN 121 2HG GLN 121 15.082 20.372 -0.722 786 HE21 GLN 121 2HE2 GLN 121 13.742 21.893 -1.768 787 HE22 GLN 121 1HE2 GLN 121 12.500 21.427 -2.923 788 H5' G 7 H5' G 7 5.318 -9.342 12.205 789 H5'' G 7 H5" G 7 5.064 -10.115 10.633 790 H4' G 7 H4' G 7 6.937 -11.106 12.839 791 H3' G 7 H3' G 7 7.265 -9.353 10.460 792 H2' G 7 H2' G 7 8.415 -10.800 9.163 793 HO2' G 7 2HO G 7 10.069 -10.557 11.195 794 H1' G 7 H1' G 7 8.443 -13.096 10.996 795 H8 G 7 8H G 7 8.440 -15.051 9.429 796 H1 G 7 1H G 7 4.523 -12.168 5.193 797 H21 G 7 1H2 G 7 4.122 -10.148 5.822 798 H22 G 7 2H2 G 7 4.829 -9.490 7.305 799 HO5' G 7 H5T G 7 4.363 -11.158 13.211 800 H5' U 8 H5' U 8 8.350 -7.094 10.216 801 H5'' U 8 H5" U 8 9.342 -6.311 11.452 802 H4' U 8 H4' U 8 8.370 -4.611 10.100 803 H3' U 8 H3' U 8 8.081 -4.623 12.867 804 H2' U 8 H2' U 8 5.886 -5.383 12.882 805 HO2' U 8 2HO U 8 5.905 -2.571 12.796 806 H1' U 8 H1' U 8 5.230 -3.667 10.473 807 H3 U 8 3H U 8 0.924 -5.069 11.231 808 H5 U 8 5H U 8 3.133 -8.588 11.669 809 H6 U 8 6H U 8 5.187 -7.305 11.225 810 H5' G 9 H5' G 9 9.592 -0.831 9.104 811 H5'' G 9 H5" G 9 8.080 -1.706 9.376 812 H4' G 9 H4' G 9 10.404 -2.746 7.696 813 H3' G 9 H3' G 9 7.877 -1.277 6.932 814 H2' G 9 H2' G 9 7.732 -2.622 4.971 815 HO2' G 9 2HO G 9 10.184 -2.539 4.758 816 H1' G 9 H1' G 9 8.437 -4.987 6.192 817 H8 G 9 8H G 9 6.208 -6.059 5.710 818 H1 G 9 1H G 9 2.831 -1.347 8.533 819 H21 G 9 1H2 G 9 4.271 0.162 9.391 820 H22 G 9 2H2 G 9 5.991 -0.058 9.131 821 H5' U 10 H5' U 10 7.400 -0.487 3.632 822 H5'' U 10 H5" U 10 9.042 0.119 3.476 823 H4' U 10 H4' U 10 7.734 1.137 1.772 824 H3' U 10 H3' U 10 9.230 2.695 3.413 825 H2' U 10 H2' U 10 7.431 3.122 4.967 826 HO2' U 10 2HO U 10 8.295 5.156 3.566 827 H1' U 10 H1' U 10 5.747 3.707 2.533 828 H3 U 10 3H U 10 1.749 4.388 4.555 829 H5 U 10 5H U 10 3.767 1.999 7.328 830 H6 U 10 6H U 10 5.697 1.916 5.828 831 H5' G 11 H5' G 11 11.998 2.945 -0.311 832 H5'' G 11 H5" G 11 10.452 3.539 -0.911 833 H4' G 11 H4' G 11 10.563 1.149 0.944 834 H3' G 11 H3' G 11 12.002 1.101 -1.433 835 H2' G 11 H2' G 11 10.275 1.615 -2.878 836 HO2' G 11 2HO G 11 10.446 -1.128 -2.413 837 H1' G 11 H1' G 11 8.109 0.061 -1.418 838 H8 G 11 8H G 11 7.460 3.462 -0.942 839 H1 G 11 1H G 11 6.065 2.084 -7.078 840 H21 G 11 1H2 G 11 7.076 0.130 -7.615 841 H22 G 11 2H2 G 11 8.000 -0.721 -6.387 842 H5' C 12 H5' C 12 12.348 -3.164 -1.854 843 H5'' C 12 H5" C 12 12.146 -3.640 -0.163 844 H4' C 12 H4' C 12 13.509 -5.307 -0.932 845 H3' C 12 H3' C 12 14.688 -3.608 0.880 846 HO3' C 12 H3T C 12 16.151 -5.767 -0.268 847 H2' C 12 H2' C 12 15.833 -2.251 -0.577 848 HO2' C 12 2HO C 12 18.040 -3.042 -0.869 849 H1' C 12 H1' C 12 16.630 -4.417 -2.488 850 H41 C 12 1H4 C 12 17.319 1.382 -5.134 851 H42 C 12 2H4 C 12 15.643 1.355 -5.675 852 H5 C 12 5H C 12 14.167 -0.512 -5.128 853 H6 C 12 6H C 12 13.989 -2.590 -3.876 Start of MODEL 6 1 H1 GLY 19 1H GLY 19 -31.238 10.152 -8.125 2 H2 GLY 19 2H GLY 19 -29.620 9.926 -8.021 3 H3 GLY 19 3H GLY 19 -30.604 8.658 -8.355 4 HA2 GLY 19 1HA GLY 19 -31.625 8.795 -6.181 5 HA3 GLY 19 2HA GLY 19 -29.876 8.526 -6.074 6 H SER 20 H SER 20 -31.724 9.771 -4.115 7 HA SER 20 HA SER 20 -31.236 12.641 -4.147 8 HB2 SER 20 1HB SER 20 -32.444 10.900 -1.973 9 HB3 SER 20 2HB SER 20 -32.594 12.657 -2.142 10 HG SER 20 HG SER 20 -34.443 11.546 -2.965 11 H THR 21 H THR 21 -29.196 10.173 -3.142 12 HA THR 21 HA THR 21 -28.192 11.068 -0.647 13 HB THR 21 HB THR 21 -26.686 9.521 -2.795 14 HG1 THR 21 1HG THR 21 -27.654 7.711 -1.800 15 HG21 THR 21 3HG2 THR 21 -25.638 8.409 -0.823 16 HG22 THR 21 1HG2 THR 21 -25.279 10.137 -0.859 17 HG23 THR 21 2HG2 THR 21 -26.512 9.514 0.261 18 H ASN 22 H ASN 22 -26.689 12.518 -0.054 19 HA ASN 22 HA ASN 22 -25.849 14.607 -1.839 20 HB2 ASN 22 1HB ASN 22 -24.978 13.888 0.989 21 HB3 ASN 22 2HB ASN 22 -24.526 15.373 0.157 22 HD21 ASN 22 2HD2 ASN 22 -26.582 14.363 2.487 23 HD22 ASN 22 1HD2 ASN 22 -27.918 15.461 2.188 24 H ALA 23 H ALA 23 -23.732 15.251 -2.438 25 HA ALA 23 HA ALA 23 -21.494 13.352 -2.360 26 HB1 ALA 23 1HB ALA 23 -22.909 12.481 -4.205 27 HB2 ALA 23 2HB ALA 23 -22.891 14.081 -4.979 28 HB3 ALA 23 3HB ALA 23 -21.390 13.142 -4.829 29 H GLU 24 H GLU 24 -19.623 14.190 -3.621 30 HA GLU 24 HA GLU 24 -19.332 17.143 -3.714 31 HB2 GLU 24 1HB GLU 24 -17.798 15.164 -1.982 32 HB3 GLU 24 2HB GLU 24 -17.060 16.671 -2.483 33 HG2 GLU 24 1HG GLU 24 -19.684 16.545 -0.940 34 HG3 GLU 24 2HG GLU 24 -18.101 16.673 -0.190 35 HA PRO 25 HA PRO 25 -17.034 16.055 -7.315 36 HB2 PRO 25 1HB PRO 25 -15.406 18.190 -7.767 37 HB3 PRO 25 2HB PRO 25 -17.186 18.308 -7.785 38 HG2 PRO 25 1HG PRO 25 -15.330 18.929 -5.460 39 HG3 PRO 25 2HG PRO 25 -16.613 19.972 -6.156 40 HD2 PRO 25 1HD PRO 25 -17.072 18.409 -3.983 41 HD3 PRO 25 2HD PRO 25 -18.329 18.641 -5.234 42 H VAL 26 H VAL 26 -16.198 14.325 -5.691 43 HA VAL 26 HA VAL 26 -13.372 14.391 -5.047 44 HB VAL 26 HB VAL 26 -15.181 13.227 -3.769 45 HG11 VAL 26 1HG1 VAL 26 -16.323 12.071 -5.640 46 HG12 VAL 26 2HG1 VAL 26 -14.905 11.025 -5.855 47 HG13 VAL 26 3HG1 VAL 26 -15.843 10.954 -4.353 48 HG21 VAL 26 3HG2 VAL 26 -13.809 11.491 -2.896 49 HG22 VAL 26 1HG2 VAL 26 -12.862 11.372 -4.381 50 HG23 VAL 26 2HG2 VAL 26 -12.743 12.826 -3.363 51 H VAL 27 H VAL 27 -14.735 14.092 -7.995 52 HA VAL 27 HA VAL 27 -13.278 11.845 -9.150 53 HB VAL 27 HB VAL 27 -14.799 14.114 -10.496 54 HG11 VAL 27 1HG1 VAL 27 -13.208 13.133 -12.101 55 HG12 VAL 27 2HG1 VAL 27 -13.747 11.494 -11.667 56 HG13 VAL 27 3HG1 VAL 27 -14.848 12.619 -12.492 57 HG21 VAL 27 3HG2 VAL 27 -16.569 12.400 -10.826 58 HG22 VAL 27 1HG2 VAL 27 -15.622 11.239 -9.871 59 HG23 VAL 27 2HG2 VAL 27 -16.278 12.707 -9.113 60 H GLY 28 H GLY 28 -11.321 11.837 -10.065 61 HA2 GLY 28 1HA GLY 28 -9.284 12.561 -10.943 62 HA3 GLY 28 2HA GLY 28 -9.874 14.235 -10.971 63 H SER 29 H SER 29 -7.416 14.194 -10.256 64 HA SER 29 HA SER 29 -7.357 15.080 -7.505 65 HB2 SER 29 1HB SER 29 -7.143 12.550 -7.260 66 HB3 SER 29 2HB SER 29 -5.609 12.677 -8.136 67 HG SER 29 HG SER 29 -5.121 12.831 -5.973 68 H ARG 30 H ARG 30 -5.123 15.783 -6.887 69 HA ARG 30 HA ARG 30 -3.469 16.673 -9.220 70 HB2 ARG 30 1HB ARG 30 -4.055 18.157 -6.627 71 HB3 ARG 30 2HB ARG 30 -2.893 18.674 -7.855 72 HG2 ARG 30 1HG ARG 30 -4.723 18.808 -9.539 73 HG3 ARG 30 2HG ARG 30 -5.900 18.381 -8.277 74 HD2 ARG 30 1HD ARG 30 -5.245 20.381 -6.980 75 HD3 ARG 30 2HD ARG 30 -4.062 20.811 -8.235 76 HE ARG 30 HE ARG 30 -6.599 20.494 -9.469 77 HH11 ARG 30 1HH1 ARG 30 -5.039 22.771 -7.254 78 HH12 ARG 30 2HH1 ARG 30 -6.042 24.097 -7.764 79 HH21 ARG 30 1HH2 ARG 30 -7.859 22.246 -10.081 80 HH22 ARG 30 2HH2 ARG 30 -7.616 23.800 -9.342 81 H ASP 31 H ASP 31 -3.447 14.574 -6.662 82 HA ASP 31 HA ASP 31 -0.561 14.248 -6.600 83 HB2 ASP 31 1HB ASP 31 -0.350 14.612 -4.244 84 HB3 ASP 31 2HB ASP 31 -0.921 16.094 -4.984 85 H THR 32 H THR 32 0.006 12.467 -4.969 86 HA THR 32 HA THR 32 -1.778 10.181 -5.511 87 HB THR 32 HB THR 32 0.276 8.873 -4.852 88 HG1 THR 32 1HG THR 32 2.201 10.108 -4.728 89 HG21 THR 32 3HG2 THR 32 1.501 9.345 -6.910 90 HG22 THR 32 1HG2 THR 32 -0.241 9.407 -7.221 91 HG23 THR 32 2HG2 THR 32 0.688 10.915 -7.082 92 H MET 33 H MET 33 -1.401 12.184 -2.807 93 HA MET 33 HA MET 33 -1.058 10.220 -0.733 94 HB2 MET 33 1HB MET 33 -2.303 12.999 -0.625 95 HB3 MET 33 2HB MET 33 -1.891 12.018 0.779 96 HG2 MET 33 1HG MET 33 0.464 12.034 0.208 97 HG3 MET 33 2HG MET 33 0.139 12.841 -1.324 98 HE1 MET 33 3HE MET 33 -0.072 14.854 2.839 99 HE2 MET 33 1HE MET 33 -1.193 13.561 2.374 100 HE3 MET 33 2HE MET 33 0.545 13.221 2.527 101 H PHE 34 H PHE 34 -3.828 10.991 -2.609 102 HA PHE 34 HA PHE 34 -5.653 9.578 -0.711 103 HB2 PHE 34 1HB PHE 34 -6.337 11.478 -2.963 104 HB3 PHE 34 2HB PHE 34 -7.437 10.858 -1.731 105 HD1 PHE 34 1HD PHE 34 -6.342 11.300 0.823 106 HD2 PHE 34 2HD PHE 34 -5.804 13.722 -2.708 107 HE1 PHE 34 1HE PHE 34 -5.788 13.255 2.247 108 HE2 PHE 34 2HE PHE 34 -5.256 15.675 -1.278 109 HZ PHE 34 HZ PHE 34 -5.245 15.447 1.200 110 H THR 35 H THR 35 -3.864 8.722 -3.315 111 HA THR 35 HA THR 35 -5.893 6.757 -4.306 112 HB THR 35 HB THR 35 -4.956 7.030 -6.580 113 HG1 THR 35 1HG THR 35 -3.765 8.932 -6.973 114 HG21 THR 35 3HG2 THR 35 -6.196 9.013 -7.173 115 HG22 THR 35 1HG2 THR 35 -7.068 8.165 -5.885 116 HG23 THR 35 2HG2 THR 35 -6.126 9.628 -5.507 117 H LYS 36 H LYS 36 -2.540 7.383 -3.498 118 HA LYS 36 HA LYS 36 -1.692 4.672 -4.271 119 HB2 LYS 36 1HB LYS 36 -0.262 6.662 -4.592 120 HB3 LYS 36 2HB LYS 36 -0.246 6.933 -2.841 121 HG2 LYS 36 1HG LYS 36 0.877 4.733 -2.524 122 HG3 LYS 36 2HG LYS 36 0.862 4.478 -4.281 123 HD2 LYS 36 1HD LYS 36 2.241 6.492 -4.611 124 HD3 LYS 36 2HD LYS 36 2.190 6.843 -2.870 125 HE2 LYS 36 1HE LYS 36 3.354 4.707 -2.395 126 HE3 LYS 36 2HE LYS 36 3.398 4.334 -4.123 127 HZ1 LYS 36 3HZ LYS 36 5.466 5.303 -3.315 128 HZ2 LYS 36 1HZ LYS 36 4.801 6.251 -4.468 129 HZ3 LYS 36 2HZ LYS 36 4.711 6.692 -2.885 130 H ILE 37 H ILE 37 -1.718 2.979 -2.983 131 HA ILE 37 HA ILE 37 -2.389 3.236 -0.076 132 HB ILE 37 HB ILE 37 -3.329 1.028 -1.940 133 HG12 ILE 37 1HG1 ILE 37 -4.893 3.550 -1.241 134 HG13 ILE 37 2HG1 ILE 37 -4.268 3.142 -2.838 135 HG21 ILE 37 1HG2 ILE 37 -3.270 0.679 0.557 136 HG22 ILE 37 2HG2 ILE 37 -4.423 2.020 0.717 137 HG23 ILE 37 3HG2 ILE 37 -4.876 0.533 -0.146 138 HD11 ILE 37 3HD1 ILE 37 -6.595 2.643 -2.810 139 HD12 ILE 37 1HD1 ILE 37 -5.702 1.113 -2.891 140 HD13 ILE 37 2HD1 ILE 37 -6.443 1.646 -1.358 141 H PHE 38 H PHE 38 -0.925 2.389 1.202 142 HA PHE 38 HA PHE 38 1.117 0.441 0.311 143 HB2 PHE 38 1HB PHE 38 1.902 2.210 1.748 144 HB3 PHE 38 2HB PHE 38 0.559 2.005 2.856 145 HD1 PHE 38 2HD PHE 38 0.455 0.162 4.443 146 HD2 PHE 38 1HD PHE 38 3.919 0.689 1.880 147 HE1 PHE 38 2HE PHE 38 1.756 -1.376 5.881 148 HE2 PHE 38 1HE PHE 38 5.213 -0.756 3.408 149 HZ PHE 38 HZ PHE 38 4.155 -1.843 5.353 150 H VAL 39 H VAL 39 1.023 -1.705 0.855 151 HA VAL 39 HA VAL 39 -1.159 -2.676 2.646 152 HB VAL 39 HB VAL 39 -0.608 -3.900 -0.091 153 HG11 VAL 39 1HG1 VAL 39 -1.255 -5.610 1.475 154 HG12 VAL 39 2HG1 VAL 39 -2.485 -4.591 2.213 155 HG13 VAL 39 3HG1 VAL 39 -2.723 -5.219 0.571 156 HG21 VAL 39 3HG2 VAL 39 -2.865 -3.185 -0.708 157 HG22 VAL 39 1HG2 VAL 39 -3.013 -2.273 0.815 158 HG23 VAL 39 2HG2 VAL 39 -1.821 -1.802 -0.418 159 H GLY 40 H GLY 40 0.228 -3.218 4.251 160 HA2 GLY 40 1HA GLY 40 2.363 -5.243 3.639 161 HA3 GLY 40 2HA GLY 40 2.381 -4.228 5.060 162 H GLY 41 H GLY 41 2.751 -6.547 5.835 163 HA2 GLY 41 1HA GLY 41 1.978 -8.384 7.026 164 HA3 GLY 41 2HA GLY 41 0.333 -7.699 6.968 165 H LEU 42 H LEU 42 1.979 -8.182 3.958 166 HA LEU 42 HA LEU 42 0.079 -10.248 3.091 167 HB2 LEU 42 1HB LEU 42 2.489 -8.946 1.735 168 HB3 LEU 42 2HB LEU 42 1.399 -10.082 0.952 169 HG LEU 42 HG LEU 42 0.589 -7.342 2.029 170 HD11 LEU 42 1HD1 LEU 42 2.092 -7.234 0.058 171 HD12 LEU 42 2HD1 LEU 42 0.987 -8.292 -0.842 172 HD13 LEU 42 3HD1 LEU 42 0.456 -6.677 -0.322 173 HD21 LEU 42 3HD2 LEU 42 -1.519 -7.779 0.707 174 HD22 LEU 42 1HD2 LEU 42 -0.977 -9.448 0.463 175 HD23 LEU 42 2HD2 LEU 42 -1.327 -8.849 2.095 176 HA PRO 43 HA PRO 43 2.981 -13.541 4.142 177 HB2 PRO 43 1HB PRO 43 1.996 -15.600 2.669 178 HB3 PRO 43 2HB PRO 43 1.203 -15.006 4.158 179 HG2 PRO 43 1HG PRO 43 0.503 -14.380 1.295 180 HG3 PRO 43 2HG PRO 43 -0.599 -14.761 2.654 181 HD2 PRO 43 1HD PRO 43 -0.048 -12.186 1.801 182 HD3 PRO 43 2HD PRO 43 -0.477 -12.577 3.483 183 H TYR 44 H TYR 44 4.880 -14.348 3.168 184 HA TYR 44 HA TYR 44 5.911 -12.752 1.107 185 HB2 TYR 44 1HB TYR 44 6.928 -15.426 2.118 186 HB3 TYR 44 2HB TYR 44 7.878 -14.274 1.201 187 HD1 TYR 44 1HD TYR 44 6.895 -11.700 2.733 188 HD2 TYR 44 2HD TYR 44 8.386 -15.547 3.992 189 HE1 TYR 44 1HE TYR 44 7.784 -10.680 4.814 190 HE2 TYR 44 2HE TYR 44 9.274 -14.523 6.072 191 HH TYR 44 HH TYR 44 9.541 -12.583 7.286 192 H HIS 45 H HIS 45 3.983 -15.506 0.581 193 HA HIS 45 HA HIS 45 5.027 -16.020 -2.142 194 HB2 HIS 45 1HB HIS 45 3.428 -17.893 -2.131 195 HB3 HIS 45 2HB HIS 45 4.592 -17.941 -0.816 196 HD2 HIS 45 2HD HIS 45 3.440 -18.971 1.222 197 HE1 HIS 45 1HE HIS 45 -0.326 -17.005 1.054 198 HE2 HIS 45 2HE HIS 45 1.096 -18.650 2.372 199 H THR 46 H THR 46 2.779 -13.830 -0.865 200 HA THR 46 HA THR 46 0.888 -13.680 -3.068 201 HB THR 46 HB THR 46 1.808 -11.646 -1.000 202 HG1 THR 46 1HG THR 46 -0.363 -12.228 -0.263 203 HG21 THR 46 3HG2 THR 46 -0.144 -10.321 -1.537 204 HG22 THR 46 1HG2 THR 46 0.782 -10.495 -3.025 205 HG23 THR 46 2HG2 THR 46 -0.679 -11.478 -2.757 206 H SER 47 H SER 47 1.141 -12.812 -5.047 207 HA SER 47 HA SER 47 3.699 -11.395 -5.718 208 HB2 SER 47 1HB SER 47 1.747 -12.919 -7.485 209 HB3 SER 47 2HB SER 47 3.189 -12.061 -8.042 210 HG SER 47 HG SER 47 3.146 -14.265 -6.221 211 H ASP 48 H ASP 48 3.404 -9.809 -7.610 212 HA ASP 48 HA ASP 48 1.712 -7.658 -6.844 213 HB2 ASP 48 1HB ASP 48 2.439 -6.634 -8.920 214 HB3 ASP 48 2HB ASP 48 3.796 -7.375 -8.082 215 H LYS 49 H LYS 49 1.177 -10.273 -9.223 216 HA LYS 49 HA LYS 49 -1.364 -9.199 -10.117 217 HB2 LYS 49 1HB LYS 49 -1.648 -11.191 -11.352 218 HB3 LYS 49 2HB LYS 49 0.024 -10.646 -11.510 219 HG2 LYS 49 1HG LYS 49 0.670 -12.335 -9.745 220 HG3 LYS 49 2HG LYS 49 -1.017 -12.876 -9.720 221 HD2 LYS 49 1HD LYS 49 0.255 -14.411 -11.066 222 HD3 LYS 49 2HD LYS 49 -0.855 -13.516 -12.114 223 HE2 LYS 49 1HE LYS 49 1.013 -12.018 -12.807 224 HE3 LYS 49 2HE LYS 49 2.114 -12.883 -11.725 225 HZ1 LYS 49 3HZ LYS 49 2.301 -13.677 -14.006 226 HZ2 LYS 49 1HZ LYS 49 1.742 -14.884 -13.060 227 HZ3 LYS 49 2HZ LYS 49 0.720 -14.083 -14.057 228 H THR 50 H THR 50 -0.458 -11.462 -7.529 229 HA THR 50 HA THR 50 -3.070 -12.348 -6.770 230 HB THR 50 HB THR 50 -0.769 -11.836 -4.865 231 HG1 THR 50 1HG THR 50 -1.088 -14.092 -6.546 232 HG21 THR 50 3HG2 THR 50 -1.580 -13.908 -3.773 233 HG22 THR 50 1HG2 THR 50 -2.836 -12.666 -3.813 234 HG23 THR 50 2HG2 THR 50 -2.897 -14.019 -4.960 235 H LEU 51 H LEU 51 -1.102 -9.546 -5.740 236 HA LEU 51 HA LEU 51 -3.136 -8.512 -3.986 237 HB2 LEU 51 1HB LEU 51 -0.652 -8.111 -3.786 238 HB3 LEU 51 2HB LEU 51 -0.714 -7.164 -5.271 239 HG LEU 51 HG LEU 51 -2.272 -5.548 -4.127 240 HD11 LEU 51 1HD1 LEU 51 -3.233 -6.969 -2.388 241 HD12 LEU 51 2HD1 LEU 51 -1.631 -7.201 -1.651 242 HD13 LEU 51 3HD1 LEU 51 -2.401 -5.596 -1.658 243 HD21 LEU 51 3HD2 LEU 51 -0.484 -4.530 -2.710 244 HD22 LEU 51 1HD2 LEU 51 0.441 -6.040 -2.823 245 HD23 LEU 51 2HD2 LEU 51 0.110 -5.081 -4.285 246 H HIS 52 H HIS 52 -2.306 -7.759 -7.389 247 HA HIS 52 HA HIS 52 -4.177 -5.630 -7.732 248 HB2 HIS 52 1HB HIS 52 -2.414 -6.220 -9.360 249 HB3 HIS 52 2HB HIS 52 -3.198 -7.758 -9.681 250 HD2 HIS 52 2HD HIS 52 -3.432 -4.040 -10.572 251 HE1 HIS 52 1HE HIS 52 -6.393 -6.049 -12.876 252 HE2 HIS 52 2HE HIS 52 -5.157 -3.847 -12.543 253 H GLU 53 H GLU 53 -4.580 -9.160 -7.872 254 HA GLU 53 HA GLU 53 -7.231 -9.167 -8.978 255 HB2 GLU 53 1HB GLU 53 -5.481 -11.192 -7.574 256 HB3 GLU 53 2HB GLU 53 -7.181 -11.566 -7.898 257 HG2 GLU 53 1HG GLU 53 -6.854 -11.128 -10.303 258 HG3 GLU 53 2HG GLU 53 -5.153 -10.768 -10.029 259 H TYR 54 H TYR 54 -6.107 -8.967 -5.581 260 HA TYR 54 HA TYR 54 -8.771 -9.397 -4.504 261 HB2 TYR 54 1HB TYR 54 -6.645 -9.840 -3.261 262 HB3 TYR 54 2HB TYR 54 -6.368 -8.102 -3.166 263 HD1 TYR 54 1HD TYR 54 -8.643 -10.878 -2.178 264 HD2 TYR 54 2HD TYR 54 -7.639 -6.726 -1.586 265 HE1 TYR 54 1HE TYR 54 -10.274 -10.757 -0.307 266 HE2 TYR 54 2HE TYR 54 -9.282 -6.596 0.277 267 HH TYR 54 HH TYR 54 -11.290 -9.413 1.255 268 H PHE 55 H PHE 55 -7.009 -6.515 -5.580 269 HA PHE 55 HA PHE 55 -8.871 -4.704 -4.258 270 HB2 PHE 55 1HB PHE 55 -6.334 -4.384 -5.836 271 HB3 PHE 55 2HB PHE 55 -7.388 -3.001 -5.623 272 HD1 PHE 55 2HD PHE 55 -5.836 -5.740 -3.515 273 HD2 PHE 55 1HD PHE 55 -7.093 -1.622 -3.771 274 HE1 PHE 55 2HE PHE 55 -4.981 -5.340 -1.231 275 HE2 PHE 55 1HE PHE 55 -6.236 -1.229 -1.476 276 HZ PHE 55 HZ PHE 55 -5.222 -3.092 -0.187 277 H GLU 56 H GLU 56 -9.158 -6.315 -7.236 278 HA GLU 56 HA GLU 56 -10.309 -4.247 -8.821 279 HB2 GLU 56 1HB GLU 56 -10.948 -7.219 -8.909 280 HB3 GLU 56 2HB GLU 56 -11.298 -6.019 -10.163 281 HG2 GLU 56 1HG GLU 56 -8.800 -5.587 -10.287 282 HG3 GLU 56 2HG GLU 56 -8.595 -7.046 -9.305 283 H GLN 57 H GLN 57 -11.643 -5.836 -6.079 284 HA GLN 57 HA GLN 57 -14.456 -5.447 -6.701 285 HB2 GLN 57 1HB GLN 57 -14.867 -6.245 -4.495 286 HB3 GLN 57 2HB GLN 57 -13.536 -7.200 -5.148 287 HG2 GLN 57 1HG GLN 57 -11.940 -5.646 -3.874 288 HG3 GLN 57 2HG GLN 57 -13.360 -4.924 -3.125 289 HE21 GLN 57 2HE2 GLN 57 -11.055 -7.426 -2.824 290 HE22 GLN 57 1HE2 GLN 57 -11.893 -8.317 -1.557 291 H PHE 58 H PHE 58 -11.989 -3.265 -5.677 292 HA PHE 58 HA PHE 58 -13.884 -1.430 -4.324 293 HB2 PHE 58 1HB PHE 58 -10.881 -1.225 -4.694 294 HB3 PHE 58 2HB PHE 58 -11.879 -0.253 -3.627 295 HD1 PHE 58 2HD PHE 58 -13.511 -2.001 -2.063 296 HD2 PHE 58 1HD PHE 58 -9.495 -2.646 -3.489 297 HE1 PHE 58 2HE PHE 58 -13.098 -3.577 -0.195 298 HE2 PHE 58 1HE PHE 58 -9.086 -4.235 -1.625 299 HZ PHE 58 HZ PHE 58 -10.892 -4.703 0.026 300 H GLY 59 H GLY 59 -12.566 -1.857 -7.464 301 HA2 GLY 59 1HA GLY 59 -13.756 -0.226 -9.074 302 HA3 GLY 59 2HA GLY 59 -12.926 1.036 -8.170 303 H ASP 60 H ASP 60 -11.629 1.814 -9.723 304 HA ASP 60 HA ASP 60 -10.307 0.022 -11.656 305 HB2 ASP 60 1HB ASP 60 -10.564 3.043 -11.458 306 HB3 ASP 60 2HB ASP 60 -9.657 2.199 -12.713 307 H ILE 61 H ILE 61 -8.333 -0.743 -11.384 308 HA ILE 61 HA ILE 61 -6.437 0.480 -9.450 309 HB ILE 61 HB ILE 61 -6.188 -2.102 -11.007 310 HG12 ILE 61 1HG1 ILE 61 -6.986 -1.791 -8.074 311 HG13 ILE 61 2HG1 ILE 61 -8.167 -2.037 -9.362 312 HG21 ILE 61 1HG2 ILE 61 -4.018 -1.251 -10.285 313 HG22 ILE 61 2HG2 ILE 61 -4.645 -0.884 -8.662 314 HG23 ILE 61 3HG2 ILE 61 -4.445 -2.556 -9.190 315 HD11 ILE 61 3HD1 ILE 61 -7.760 -4.164 -8.439 316 HD12 ILE 61 1HD1 ILE 61 -6.985 -4.149 -10.014 317 HD13 ILE 61 2HD1 ILE 61 -6.004 -3.986 -8.532 318 H GLU 62 H GLU 62 -4.697 1.624 -10.040 319 HA GLU 62 HA GLU 62 -4.194 2.230 -12.892 320 HB2 GLU 62 1HB GLU 62 -4.470 3.977 -11.016 321 HB3 GLU 62 2HB GLU 62 -2.890 3.455 -10.433 322 HG2 GLU 62 1HG GLU 62 -1.875 4.063 -12.579 323 HG3 GLU 62 2HG GLU 62 -3.473 4.479 -13.233 324 H GLU 63 H GLU 63 -2.594 0.816 -10.024 325 HA GLU 63 HA GLU 63 -0.710 -0.742 -11.558 326 HB2 GLU 63 1HB GLU 63 0.364 1.532 -11.625 327 HB3 GLU 63 2HB GLU 63 0.374 1.560 -9.863 328 HG2 GLU 63 1HG GLU 63 1.934 -0.312 -9.793 329 HG3 GLU 63 2HG GLU 63 1.760 -0.579 -11.533 330 H ALA 64 H ALA 64 0.380 -2.289 -10.159 331 HA ALA 64 HA ALA 64 -0.030 -2.161 -7.268 332 HB1 ALA 64 1HB ALA 64 -2.117 -3.247 -8.029 333 HB2 ALA 64 2HB ALA 64 -1.162 -4.442 -8.934 334 HB3 ALA 64 3HB ALA 64 -1.093 -4.407 -7.159 335 H VAL 65 H VAL 65 1.499 -3.318 -6.140 336 HA VAL 65 HA VAL 65 3.503 -5.016 -7.519 337 HB VAL 65 HB VAL 65 5.394 -3.657 -6.695 338 HG11 VAL 65 1HG1 VAL 65 4.659 -3.441 -9.055 339 HG12 VAL 65 2HG1 VAL 65 3.686 -2.019 -8.599 340 HG13 VAL 65 3HG1 VAL 65 5.449 -1.989 -8.422 341 HG21 VAL 65 3HG2 VAL 65 5.105 -1.299 -6.059 342 HG22 VAL 65 1HG2 VAL 65 3.344 -1.478 -6.111 343 HG23 VAL 65 2HG2 VAL 65 4.307 -2.365 -4.905 344 H VAL 66 H VAL 66 5.009 -6.030 -6.058 345 HA VAL 66 HA VAL 66 4.457 -5.832 -3.139 346 HB VAL 66 HB VAL 66 4.838 -8.436 -4.672 347 HG11 VAL 66 1HG1 VAL 66 6.142 -8.535 -2.576 348 HG12 VAL 66 2HG1 VAL 66 4.738 -7.947 -1.655 349 HG13 VAL 66 3HG1 VAL 66 4.699 -9.537 -2.435 350 HG21 VAL 66 3HG2 VAL 66 2.659 -9.043 -3.646 351 HG22 VAL 66 1HG2 VAL 66 2.555 -7.434 -2.902 352 HG23 VAL 66 2HG2 VAL 66 2.495 -7.612 -4.667 353 H ILE 67 H ILE 67 6.308 -5.670 -1.930 354 HA ILE 67 HA ILE 67 8.618 -4.814 -3.511 355 HB ILE 67 HB ILE 67 8.125 -4.693 -0.518 356 HG12 ILE 67 1HG1 ILE 67 6.475 -3.282 -1.391 357 HG13 ILE 67 2HG1 ILE 67 7.815 -2.213 -1.035 358 HG21 ILE 67 1HG2 ILE 67 10.517 -4.554 -1.003 359 HG22 ILE 67 2HG2 ILE 67 10.220 -3.334 -2.261 360 HG23 ILE 67 3HG2 ILE 67 9.912 -2.966 -0.551 361 HD11 ILE 67 3HD1 ILE 67 6.950 -1.440 -3.038 362 HD12 ILE 67 1HD1 ILE 67 8.429 -2.309 -3.512 363 HD13 ILE 67 2HD1 ILE 67 6.838 -3.063 -3.758 364 H THR 68 H THR 68 10.345 -5.837 -3.951 365 HA THR 68 HA THR 68 11.415 -8.083 -2.351 366 HB THR 68 HB THR 68 11.785 -9.303 -4.531 367 HG1 THR 68 1HG THR 68 10.327 -8.680 -6.225 368 HG21 THR 68 3HG2 THR 68 9.532 -10.232 -4.726 369 HG22 THR 68 1HG2 THR 68 9.982 -10.017 -3.035 370 HG23 THR 68 2HG2 THR 68 8.857 -8.872 -3.804 371 H ASP 69 H ASP 69 13.616 -8.231 -2.371 372 HA ASP 69 HA ASP 69 15.225 -6.069 -3.227 373 HB2 ASP 69 1HB ASP 69 15.877 -7.680 -1.512 374 HB3 ASP 69 2HB ASP 69 16.031 -8.933 -2.750 375 H ARG 70 H ARG 70 16.567 -5.626 -4.915 376 HA ARG 70 HA ARG 70 15.625 -6.451 -7.451 377 HB2 ARG 70 1HB ARG 70 18.122 -4.897 -6.717 378 HB3 ARG 70 2HB ARG 70 17.446 -5.008 -8.345 379 HG2 ARG 70 1HG ARG 70 16.098 -3.759 -5.930 380 HG3 ARG 70 2HG ARG 70 16.887 -2.903 -7.244 381 HD2 ARG 70 1HD ARG 70 14.648 -2.695 -7.776 382 HD3 ARG 70 2HD ARG 70 15.187 -4.023 -8.813 383 HE ARG 70 HE ARG 70 14.061 -4.909 -6.256 384 HH11 ARG 70 1HH1 ARG 70 13.112 -3.928 -9.524 385 HH12 ARG 70 2HH1 ARG 70 11.614 -4.805 -9.439 386 HH21 ARG 70 1HH2 ARG 70 12.131 -5.987 -6.204 387 HH22 ARG 70 2HH2 ARG 70 11.062 -5.959 -7.577 388 H ASN 71 H ASN 71 18.062 -7.964 -5.511 389 HA ASN 71 HA ASN 71 19.106 -9.510 -7.865 390 HB2 ASN 71 1HB ASN 71 20.600 -8.430 -5.444 391 HB3 ASN 71 2HB ASN 71 21.278 -9.554 -6.621 392 HD21 ASN 71 2HD2 ASN 71 21.864 -8.792 -8.731 393 HD22 ASN 71 1HD2 ASN 71 21.880 -7.075 -9.097 394 H THR 72 H THR 72 18.096 -9.706 -4.476 395 HA THR 72 HA THR 72 18.311 -12.697 -4.567 396 HB THR 72 HB THR 72 17.857 -12.570 -2.087 397 HG1 THR 72 1HG THR 72 18.441 -9.827 -2.539 398 HG21 THR 72 3HG2 THR 72 20.138 -11.916 -1.511 399 HG22 THR 72 1HG2 THR 72 20.131 -12.892 -2.992 400 HG23 THR 72 2HG2 THR 72 20.349 -11.128 -3.092 401 H GLN 73 H GLN 73 15.946 -10.223 -4.813 402 HA GLN 73 HA GLN 73 13.705 -10.239 -5.056 403 HB2 GLN 73 1HB GLN 73 14.269 -13.116 -5.843 404 HB3 GLN 73 2HB GLN 73 12.701 -12.353 -6.047 405 HG2 GLN 73 1HG GLN 73 15.209 -11.124 -7.263 406 HG3 GLN 73 2HG GLN 73 14.284 -12.386 -8.066 407 HE21 GLN 73 2HE2 GLN 73 14.102 -8.959 -6.956 408 HE22 GLN 73 1HE2 GLN 73 12.688 -8.612 -7.939 409 H LYS 74 H LYS 74 14.892 -11.253 -2.321 410 HA LYS 74 HA LYS 74 12.761 -12.785 -1.216 411 HB2 LYS 74 1HB LYS 74 13.938 -12.859 0.689 412 HB3 LYS 74 2HB LYS 74 15.207 -12.525 -0.478 413 HG2 LYS 74 1HG LYS 74 14.017 -10.577 1.511 414 HG3 LYS 74 2HG LYS 74 15.603 -11.361 1.542 415 HD2 LYS 74 1HD LYS 74 15.823 -10.157 -0.847 416 HD3 LYS 74 2HD LYS 74 14.647 -9.065 -0.125 417 HE2 LYS 74 1HE LYS 74 16.733 -8.078 0.297 418 HE3 LYS 74 2HE LYS 74 16.218 -8.777 1.832 419 HZ1 LYS 74 3HZ LYS 74 18.572 -9.263 1.257 420 HZ2 LYS 74 1HZ LYS 74 17.717 -10.650 1.396 421 HZ3 LYS 74 2HZ LYS 74 18.093 -10.070 -0.090 422 H SER 75 H SER 75 10.810 -12.309 -0.407 423 HA SER 75 HA SER 75 9.704 -9.697 -0.864 424 HB2 SER 75 1HB SER 75 8.510 -12.058 0.625 425 HB3 SER 75 2HB SER 75 7.626 -10.685 -0.068 426 HG SER 75 HG SER 75 7.668 -12.630 -1.411 427 H ARG 76 H ARG 76 9.412 -7.973 0.455 428 HA ARG 76 HA ARG 76 10.374 -8.108 3.225 429 HB2 ARG 76 1HB ARG 76 9.315 -5.807 1.542 430 HB3 ARG 76 2HB ARG 76 9.828 -5.670 3.228 431 HG2 ARG 76 1HG ARG 76 12.062 -6.784 2.417 432 HG3 ARG 76 2HG ARG 76 11.543 -6.282 0.806 433 HD2 ARG 76 1HD ARG 76 11.556 -3.971 1.407 434 HD3 ARG 76 2HD ARG 76 11.538 -4.331 3.137 435 HE ARG 76 HE ARG 76 13.915 -5.352 1.814 436 HH11 ARG 76 1HH1 ARG 76 12.656 -2.316 3.110 437 HH12 ARG 76 2HH1 ARG 76 14.132 -1.958 3.956 438 HH21 ARG 76 1HH2 ARG 76 15.870 -4.640 2.607 439 HH22 ARG 76 2HH2 ARG 76 15.960 -3.216 3.600 440 H GLY 77 H GLY 77 7.463 -9.055 2.059 441 HA2 GLY 77 1HA GLY 77 5.576 -9.714 3.282 442 HA3 GLY 77 2HA GLY 77 6.145 -8.760 4.676 443 H TYR 78 H TYR 78 6.147 -6.842 1.883 444 HA TYR 78 HA TYR 78 3.335 -6.050 2.041 445 HB2 TYR 78 1HB TYR 78 3.744 -3.829 2.702 446 HB3 TYR 78 2HB TYR 78 4.722 -4.773 3.809 447 HD1 TYR 78 1HD TYR 78 7.266 -4.813 3.456 448 HD2 TYR 78 2HD TYR 78 4.606 -2.276 1.196 449 HE1 TYR 78 1HE TYR 78 9.185 -3.340 2.833 450 HE2 TYR 78 2HE TYR 78 6.505 -0.797 0.630 451 HH TYR 78 HH TYR 78 9.839 -1.365 1.734 452 H GLY 79 H GLY 79 2.736 -4.401 0.555 453 HA2 GLY 79 1HA GLY 79 4.378 -3.917 -1.864 454 HA3 GLY 79 2HA GLY 79 2.830 -4.746 -2.033 455 H PHE 80 H PHE 80 2.608 -2.821 -3.431 456 HA PHE 80 HA PHE 80 1.035 -0.754 -2.014 457 HB2 PHE 80 1HB PHE 80 3.284 -0.268 -3.981 458 HB3 PHE 80 2HB PHE 80 1.915 0.814 -3.944 459 HD1 PHE 80 1HD PHE 80 4.888 -0.336 -2.040 460 HD2 PHE 80 2HD PHE 80 1.481 2.315 -2.117 461 HE1 PHE 80 1HE PHE 80 5.896 1.049 -0.242 462 HE2 PHE 80 2HE PHE 80 2.498 3.675 -0.306 463 HZ PHE 80 HZ PHE 80 4.713 3.043 0.625 464 H VAL 81 H VAL 81 -0.687 0.026 -3.118 465 HA VAL 81 HA VAL 81 -1.243 -0.915 -5.893 466 HB VAL 81 HB VAL 81 -3.376 -0.838 -3.710 467 HG11 VAL 81 1HG1 VAL 81 -4.238 -0.322 -5.973 468 HG12 VAL 81 2HG1 VAL 81 -3.470 -1.790 -6.612 469 HG13 VAL 81 3HG1 VAL 81 -4.801 -1.909 -5.446 470 HG21 VAL 81 3HG2 VAL 81 -3.502 -3.316 -3.998 471 HG22 VAL 81 1HG2 VAL 81 -2.036 -3.252 -5.001 472 HG23 VAL 81 2HG2 VAL 81 -1.981 -2.786 -3.282 473 H THR 82 H THR 82 -1.900 0.753 -7.170 474 HA THR 82 HA THR 82 -2.709 3.351 -5.891 475 HB THR 82 HB THR 82 -1.237 2.910 -8.514 476 HG1 THR 82 1HG THR 82 0.448 3.895 -7.358 477 HG21 THR 82 3HG2 THR 82 -1.023 5.385 -8.516 478 HG22 THR 82 1HG2 THR 82 -2.709 4.899 -8.636 479 HG23 THR 82 2HG2 THR 82 -2.074 5.482 -7.081 480 H MET 83 H MET 83 -4.655 4.083 -6.440 481 HA MET 83 HA MET 83 -6.269 2.520 -8.414 482 HB2 MET 83 1HB MET 83 -7.251 4.439 -6.286 483 HB3 MET 83 2HB MET 83 -8.205 3.326 -7.252 484 HG2 MET 83 1HG MET 83 -6.147 2.576 -5.149 485 HG3 MET 83 2HG MET 83 -7.888 2.491 -4.970 486 HE1 MET 83 3HE MET 83 -8.970 -0.516 -7.100 487 HE2 MET 83 1HE MET 83 -9.426 0.718 -5.902 488 HE3 MET 83 2HE MET 83 -8.986 1.201 -7.556 489 H LYS 84 H LYS 84 -7.402 3.523 -10.087 490 HA LYS 84 HA LYS 84 -6.126 5.800 -11.288 491 HB2 LYS 84 1HB LYS 84 -8.733 4.362 -11.915 492 HB3 LYS 84 2HB LYS 84 -8.077 5.665 -12.894 493 HG2 LYS 84 1HG LYS 84 -5.926 4.236 -13.087 494 HG3 LYS 84 2HG LYS 84 -6.925 2.894 -12.489 495 HD2 LYS 84 1HD LYS 84 -8.523 3.305 -14.400 496 HD3 LYS 84 2HD LYS 84 -7.505 4.641 -14.925 497 HE2 LYS 84 1HE LYS 84 -6.911 2.907 -16.356 498 HE3 LYS 84 2HE LYS 84 -5.587 2.986 -15.193 499 HZ1 LYS 84 3HZ LYS 84 -6.342 0.705 -15.644 500 HZ2 LYS 84 1HZ LYS 84 -6.542 1.053 -14.067 501 HZ3 LYS 84 2HZ LYS 84 -7.837 1.041 -15.081 502 H ASP 85 H ASP 85 -8.656 5.739 -8.944 503 HA ASP 85 HA ASP 85 -8.935 8.665 -9.068 504 HB2 ASP 85 1HB ASP 85 -10.638 7.676 -10.655 505 HB3 ASP 85 2HB ASP 85 -11.388 6.878 -9.271 506 H ARG 86 H ARG 86 -9.808 9.584 -7.230 507 HA ARG 86 HA ARG 86 -9.157 8.377 -4.722 508 HB2 ARG 86 1HB ARG 86 -10.833 10.806 -5.450 509 HB3 ARG 86 2HB ARG 86 -10.516 10.324 -3.779 510 HG2 ARG 86 1HG ARG 86 -8.083 10.491 -4.184 511 HG3 ARG 86 2HG ARG 86 -8.376 11.078 -5.821 512 HD2 ARG 86 1HD ARG 86 -9.404 12.433 -3.288 513 HD3 ARG 86 2HD ARG 86 -7.909 12.882 -4.129 514 HE ARG 86 HE ARG 86 -9.633 13.075 -6.167 515 HH11 ARG 86 1HH1 ARG 86 -9.968 14.472 -2.925 516 HH12 ARG 86 2HH1 ARG 86 -10.882 15.820 -3.531 517 HH21 ARG 86 1HH2 ARG 86 -10.750 14.762 -6.851 518 HH22 ARG 86 2HH2 ARG 86 -11.370 15.972 -5.753 519 H ALA 87 H ALA 87 -12.253 8.451 -6.519 520 HA ALA 87 HA ALA 87 -13.899 7.500 -4.356 521 HB1 ALA 87 1HB ALA 87 -14.737 8.647 -6.393 522 HB2 ALA 87 2HB ALA 87 -14.250 7.250 -7.378 523 HB3 ALA 87 3HB ALA 87 -15.524 7.077 -6.155 524 H SER 88 H SER 88 -11.662 5.783 -6.462 525 HA SER 88 HA SER 88 -12.750 3.119 -5.702 526 HB2 SER 88 1HB SER 88 -10.313 3.916 -7.325 527 HB3 SER 88 2HB SER 88 -10.878 2.261 -7.043 528 HG SER 88 HG SER 88 -12.378 4.314 -8.355 529 H ALA 89 H ALA 89 -9.985 5.251 -4.869 530 HA ALA 89 HA ALA 89 -8.764 3.367 -3.035 531 HB1 ALA 89 1HB ALA 89 -7.527 5.222 -4.076 532 HB2 ALA 89 2HB ALA 89 -8.570 6.401 -3.243 533 HB3 ALA 89 3HB ALA 89 -7.482 5.355 -2.307 534 H GLU 90 H GLU 90 -11.155 6.020 -2.568 535 HA GLU 90 HA GLU 90 -11.543 5.795 0.199 536 HB2 GLU 90 1HB GLU 90 -13.304 6.467 -2.170 537 HB3 GLU 90 2HB GLU 90 -14.053 6.319 -0.597 538 HG2 GLU 90 1HG GLU 90 -11.614 8.081 -1.074 539 HG3 GLU 90 2HG GLU 90 -13.256 8.642 -1.334 540 H ARG 91 H ARG 91 -13.021 3.776 -2.409 541 HA ARG 91 HA ARG 91 -14.558 2.138 -0.606 542 HB2 ARG 91 1HB ARG 91 -13.577 1.796 -3.453 543 HB3 ARG 91 2HB ARG 91 -14.517 0.539 -2.634 544 HG2 ARG 91 1HG ARG 91 -16.400 1.991 -2.325 545 HG3 ARG 91 2HG ARG 91 -15.495 3.414 -2.859 546 HD2 ARG 91 1HD ARG 91 -15.335 2.542 -5.135 547 HD3 ARG 91 2HD ARG 91 -16.033 1.000 -4.632 548 HE ARG 91 HE ARG 91 -18.135 1.881 -4.771 549 HH11 ARG 91 1HH1 ARG 91 -15.937 4.670 -4.686 550 HH12 ARG 91 2HH1 ARG 91 -17.242 5.791 -4.968 551 HH21 ARG 91 1HH2 ARG 91 -19.732 3.385 -5.157 552 HH22 ARG 91 2HH2 ARG 91 -19.344 5.075 -5.252 553 H ALA 92 H ALA 92 -11.230 1.814 -1.865 554 HA ALA 92 HA ALA 92 -10.773 -0.819 -0.810 555 HB1 ALA 92 1HB ALA 92 -9.505 0.198 -2.688 556 HB2 ALA 92 2HB ALA 92 -8.804 1.379 -1.563 557 HB3 ALA 92 3HB ALA 92 -8.439 -0.349 -1.383 558 H CYS 93 H CYS 93 -10.212 2.394 0.653 559 HA CYS 93 HA CYS 93 -8.663 1.305 2.820 560 HB2 CYS 93 1HB CYS 93 -8.513 3.546 3.600 561 HB3 CYS 93 2HB CYS 93 -8.491 3.622 1.830 562 HG CYS 93 HG CYS 93 -11.138 4.072 1.619 563 H LYS 94 H LYS 94 -12.045 1.169 2.473 564 HA LYS 94 HA LYS 94 -12.832 1.624 5.206 565 HB2 LYS 94 1HB LYS 94 -14.183 0.087 2.945 566 HB3 LYS 94 2HB LYS 94 -14.952 0.490 4.470 567 HG2 LYS 94 1HG LYS 94 -13.904 2.479 2.443 568 HG3 LYS 94 2HG LYS 94 -15.587 2.016 2.610 569 HD2 LYS 94 1HD LYS 94 -15.739 3.029 4.805 570 HD3 LYS 94 2HD LYS 94 -14.013 3.390 4.845 571 HE2 LYS 94 1HE LYS 94 -15.920 4.532 2.761 572 HE3 LYS 94 2HE LYS 94 -15.517 5.346 4.277 573 HZ1 LYS 94 3HZ LYS 94 -14.073 6.125 2.473 574 HZ2 LYS 94 1HZ LYS 94 -13.185 5.343 3.596 575 HZ3 LYS 94 2HZ LYS 94 -13.555 4.603 2.182 576 H ASP 95 H ASP 95 -11.582 -1.230 3.667 577 HA ASP 95 HA ASP 95 -11.877 -2.737 6.242 578 HB2 ASP 95 1HB ASP 95 -12.947 -3.840 4.376 579 HB3 ASP 95 2HB ASP 95 -11.430 -3.845 3.470 580 HA PRO 96 HA PRO 96 -7.449 -1.667 6.108 581 HB2 PRO 96 1HB PRO 96 -6.923 -1.641 8.771 582 HB3 PRO 96 2HB PRO 96 -7.850 -0.337 7.966 583 HG2 PRO 96 1HG PRO 96 -8.942 -2.737 9.476 584 HG3 PRO 96 2HG PRO 96 -9.392 -1.012 9.671 585 HD2 PRO 96 1HD PRO 96 -10.828 -2.749 8.113 586 HD3 PRO 96 2HD PRO 96 -10.646 -1.022 7.678 587 H ASN 97 H ASN 97 -9.021 -4.586 7.228 588 HA ASN 97 HA ASN 97 -6.441 -6.047 7.210 589 HB2 ASN 97 1HB ASN 97 -8.477 -6.276 9.442 590 HB3 ASN 97 2HB ASN 97 -7.041 -7.259 9.241 591 HD21 ASN 97 2HD2 ASN 97 -4.909 -5.721 8.890 592 HD22 ASN 97 1HD2 ASN 97 -4.788 -4.521 10.159 593 HA PRO 98 HA PRO 98 -9.725 -8.153 4.763 594 HB2 PRO 98 1HB PRO 98 -8.388 -8.422 2.397 595 HB3 PRO 98 2HB PRO 98 -9.190 -6.897 2.907 596 HG2 PRO 98 1HG PRO 98 -6.268 -7.671 3.155 597 HG3 PRO 98 2HG PRO 98 -6.958 -6.153 2.502 598 HD2 PRO 98 1HD PRO 98 -6.062 -6.367 5.070 599 HD3 PRO 98 2HD PRO 98 -7.491 -5.384 4.664 600 H ILE 99 H ILE 99 -6.572 -9.233 5.657 601 HA ILE 99 HA ILE 99 -5.591 -11.281 5.918 602 HB ILE 99 HB ILE 99 -8.250 -12.642 5.658 603 HG12 ILE 99 1HG1 ILE 99 -8.837 -10.826 7.087 604 HG13 ILE 99 2HG1 ILE 99 -8.689 -12.280 8.048 605 HG21 ILE 99 1HG2 ILE 99 -6.270 -14.075 5.972 606 HG22 ILE 99 2HG2 ILE 99 -5.794 -13.150 7.403 607 HG23 ILE 99 3HG2 ILE 99 -7.286 -14.110 7.412 608 HD11 ILE 99 3HD1 ILE 99 -7.771 -10.393 9.267 609 HD12 ILE 99 1HD1 ILE 99 -6.436 -11.478 8.855 610 HD13 ILE 99 2HD1 ILE 99 -6.705 -9.978 7.924 611 H ILE 100 H ILE 100 -4.864 -10.541 3.673 612 HA ILE 100 HA ILE 100 -5.880 -11.981 1.344 613 HB ILE 100 HB ILE 100 -3.521 -10.121 1.757 614 HG12 ILE 100 1HG1 ILE 100 -6.021 -9.790 0.030 615 HG13 ILE 100 2HG1 ILE 100 -5.993 -9.320 1.717 616 HG21 ILE 100 1HG2 ILE 100 -2.847 -11.690 -0.017 617 HG22 ILE 100 2HG2 ILE 100 -4.404 -11.467 -0.844 618 HG23 ILE 100 3HG2 ILE 100 -3.235 -10.136 -0.733 619 HD11 ILE 100 3HD1 ILE 100 -5.594 -7.365 0.362 620 HD12 ILE 100 1HD1 ILE 100 -4.111 -7.743 1.258 621 HD13 ILE 100 2HD1 ILE 100 -4.241 -8.141 -0.472 622 H ASP 101 H ASP 101 -5.486 -13.946 0.828 623 HA ASP 101 HA ASP 101 -4.664 -15.990 0.618 624 HB2 ASP 101 1HB ASP 101 -2.835 -14.309 -0.470 625 HB3 ASP 101 2HB ASP 101 -1.798 -15.204 0.622 626 H GLY 102 H GLY 102 -5.003 -15.018 3.390 627 HA2 GLY 102 1HA GLY 102 -5.232 -16.425 5.243 628 HA3 GLY 102 2HA GLY 102 -3.922 -17.465 4.652 629 H ARG 103 H ARG 103 -3.577 -13.950 5.114 630 HA ARG 103 HA ARG 103 -2.479 -14.189 7.817 631 HB2 ARG 103 1HB ARG 103 -0.491 -14.817 6.527 632 HB3 ARG 103 2HB ARG 103 -0.712 -13.446 5.456 633 HG2 ARG 103 1HG ARG 103 1.116 -12.982 6.922 634 HG3 ARG 103 2HG ARG 103 -0.200 -11.886 7.319 635 HD2 ARG 103 1HD ARG 103 -0.784 -13.288 9.284 636 HD3 ARG 103 2HD ARG 103 0.527 -14.391 8.888 637 HE ARG 103 HE ARG 103 0.745 -11.626 9.974 638 HH11 ARG 103 1HH1 ARG 103 2.578 -14.417 8.779 639 HH12 ARG 103 2HH1 ARG 103 4.031 -13.889 9.576 640 HH21 ARG 103 1HH2 ARG 103 2.626 -11.063 11.004 641 HH22 ARG 103 2HH2 ARG 103 4.081 -11.954 10.728 642 H LYS 104 H LYS 104 -2.673 -12.251 8.923 643 HA LYS 104 HA LYS 104 -4.518 -10.386 7.851 644 HB2 LYS 104 1HB LYS 104 -4.337 -10.937 10.241 645 HB3 LYS 104 2HB LYS 104 -2.780 -10.095 10.312 646 HG2 LYS 104 1HG LYS 104 -3.922 -7.961 9.637 647 HG3 LYS 104 2HG LYS 104 -5.448 -8.821 9.491 648 HD2 LYS 104 1HD LYS 104 -5.404 -7.602 11.583 649 HD3 LYS 104 2HD LYS 104 -5.425 -9.341 11.888 650 HE2 LYS 104 1HE LYS 104 -3.844 -8.381 13.419 651 HE3 LYS 104 2HE LYS 104 -2.945 -9.291 12.206 652 HZ1 LYS 104 3HZ LYS 104 -1.839 -7.223 12.467 653 HZ2 LYS 104 1HZ LYS 104 -2.622 -7.070 11.048 654 HZ3 LYS 104 2HZ LYS 104 -3.225 -6.343 12.379 655 H ALA 105 H ALA 105 -4.060 -9.235 6.144 656 HA ALA 105 HA ALA 105 -1.631 -7.667 5.832 657 HB1 ALA 105 1HB ALA 105 -2.834 -8.619 3.888 658 HB2 ALA 105 2HB ALA 105 -4.253 -7.624 4.280 659 HB3 ALA 105 3HB ALA 105 -2.734 -6.852 3.790 660 H ASN 106 H ASN 106 -1.743 -5.319 5.588 661 HA ASN 106 HA ASN 106 -3.633 -3.947 7.449 662 HB2 ASN 106 1HB ASN 106 -0.629 -3.551 7.416 663 HB3 ASN 106 2HB ASN 106 -1.790 -2.828 8.524 664 HD21 ASN 106 2HD2 ASN 106 0.438 -5.330 8.162 665 HD22 ASN 106 1HD2 ASN 106 -0.203 -6.461 9.353 666 H VAL 107 H VAL 107 -4.733 -2.826 5.985 667 HA VAL 107 HA VAL 107 -3.415 -1.632 3.587 668 HB VAL 107 HB VAL 107 -6.334 -2.246 4.197 669 HG11 VAL 107 1HG1 VAL 107 -6.246 -0.319 2.664 670 HG12 VAL 107 2HG1 VAL 107 -5.061 -1.163 1.642 671 HG13 VAL 107 3HG1 VAL 107 -6.729 -1.761 1.770 672 HG21 VAL 107 3HG2 VAL 107 -6.120 -3.984 2.486 673 HG22 VAL 107 1HG2 VAL 107 -4.421 -3.561 2.236 674 HG23 VAL 107 2HG2 VAL 107 -4.941 -4.274 3.776 675 H ASN 108 H ASN 108 -3.165 0.496 3.396 676 HA ASN 108 HA ASN 108 -5.158 2.403 4.191 677 HB2 ASN 108 1HB ASN 108 -3.748 3.733 5.752 678 HB3 ASN 108 2HB ASN 108 -4.290 2.212 6.414 679 HD21 ASN 108 2HD2 ASN 108 -1.390 3.915 5.095 680 HD22 ASN 108 1HD2 ASN 108 -0.280 2.902 6.008 681 H LEU 109 H LEU 109 -4.625 4.626 3.591 682 HA LEU 109 HA LEU 109 -3.219 4.995 1.129 683 HB2 LEU 109 1HB LEU 109 -3.959 6.946 3.352 684 HB3 LEU 109 2HB LEU 109 -3.321 7.436 1.788 685 HG LEU 109 HG LEU 109 -5.932 5.900 2.145 686 HD11 LEU 109 1HD1 LEU 109 -6.074 8.136 3.159 687 HD12 LEU 109 2HD1 LEU 109 -5.467 8.874 1.663 688 HD13 LEU 109 3HD1 LEU 109 -7.041 8.051 1.677 689 HD21 LEU 109 3HD2 LEU 109 -6.357 6.640 -0.208 690 HD22 LEU 109 1HD2 LEU 109 -4.700 7.280 -0.286 691 HD23 LEU 109 2HD2 LEU 109 -4.981 5.542 -0.084 692 H ALA 110 H ALA 110 -1.234 5.833 0.667 693 HA ALA 110 HA ALA 110 1.003 4.846 1.887 694 HB1 ALA 110 1HB ALA 110 0.874 5.680 -0.374 695 HB2 ALA 110 2HB ALA 110 0.798 7.361 0.189 696 HB3 ALA 110 3HB ALA 110 2.273 6.391 0.457 697 H TYR 111 H TYR 111 1.402 8.367 1.987 698 HA TYR 111 HA TYR 111 2.981 8.957 3.867 699 HB2 TYR 111 1HB TYR 111 2.044 11.067 3.953 700 HB3 TYR 111 2HB TYR 111 1.603 10.404 2.404 701 HD1 TYR 111 2HD TYR 111 -0.841 9.238 2.303 702 HD2 TYR 111 1HD TYR 111 0.415 12.135 5.246 703 HE1 TYR 111 2HE TYR 111 -3.212 9.769 2.798 704 HE2 TYR 111 1HE TYR 111 -1.958 12.722 5.679 705 HH TYR 111 HH TYR 111 -4.161 12.299 5.158 706 H LEU 112 H LEU 112 0.783 6.914 5.513 707 HA LEU 112 HA LEU 112 0.300 8.685 7.803 708 HB2 LEU 112 1HB LEU 112 -0.567 5.786 7.488 709 HB3 LEU 112 2HB LEU 112 -1.214 7.022 8.562 710 HG LEU 112 HG LEU 112 -1.519 6.760 5.565 711 HD11 LEU 112 1HD1 LEU 112 -3.059 5.464 7.046 712 HD12 LEU 112 2HD1 LEU 112 -3.622 6.997 7.742 713 HD13 LEU 112 3HD1 LEU 112 -3.886 6.660 6.016 714 HD21 LEU 112 3HD2 LEU 112 -2.907 8.816 5.626 715 HD22 LEU 112 1HD2 LEU 112 -2.235 9.165 7.244 716 HD23 LEU 112 2HD2 LEU 112 -1.173 9.065 5.813 717 H GLY 113 H GLY 113 1.317 5.245 7.825 718 HA2 GLY 113 1HA GLY 113 3.092 5.668 10.148 719 HA3 GLY 113 2HA GLY 113 2.697 4.128 9.339 720 H ALA 114 H ALA 114 3.604 6.641 7.241 721 HA ALA 114 HA ALA 114 5.790 5.264 6.105 722 HB1 ALA 114 1HB ALA 114 4.314 6.804 4.873 723 HB2 ALA 114 2HB ALA 114 4.883 8.174 5.865 724 HB3 ALA 114 3HB ALA 114 5.995 7.352 4.755 725 H LYS 115 H LYS 115 7.975 5.805 5.933 726 HA LYS 115 HA LYS 115 9.134 6.887 8.467 727 HB2 LYS 115 1HB LYS 115 10.194 4.789 6.524 728 HB3 LYS 115 2HB LYS 115 11.008 5.311 7.991 729 HG2 LYS 115 1HG LYS 115 8.400 3.773 7.801 730 HG3 LYS 115 2HG LYS 115 9.981 3.190 8.348 731 HD2 LYS 115 1HD LYS 115 9.782 4.993 10.211 732 HD3 LYS 115 2HD LYS 115 8.065 5.056 9.782 733 HE2 LYS 115 1HE LYS 115 9.656 2.618 10.711 734 HE3 LYS 115 2HE LYS 115 8.473 3.513 11.666 735 HZ1 LYS 115 3HZ LYS 115 7.546 1.489 10.752 736 HZ2 LYS 115 1HZ LYS 115 6.768 2.785 10.078 737 HZ3 LYS 115 2HZ LYS 115 7.889 1.946 9.214 738 HA PRO 116 HA PRO 116 11.756 9.634 5.997 739 HB2 PRO 116 1HB PRO 116 13.837 10.058 7.699 740 HB3 PRO 116 2HB PRO 116 12.212 10.758 7.972 741 HG2 PRO 116 1HG PRO 116 13.405 8.271 9.216 742 HG3 PRO 116 2HG PRO 116 12.508 9.595 10.023 743 HD2 PRO 116 1HD PRO 116 11.343 7.223 9.270 744 HD3 PRO 116 2HD PRO 116 10.434 8.762 9.273 745 H ARG 117 H ARG 117 13.256 9.166 4.453 746 HA ARG 117 HA ARG 117 15.040 6.778 4.716 747 HB2 ARG 117 1HB ARG 117 13.090 7.372 2.457 748 HB3 ARG 117 2HB ARG 117 14.368 6.168 2.374 749 HG2 ARG 117 1HG ARG 117 11.989 6.078 4.271 750 HG3 ARG 117 2HG ARG 117 12.199 5.190 2.764 751 HD2 ARG 117 1HD ARG 117 14.368 4.236 3.874 752 HD3 ARG 117 2HD ARG 117 13.652 4.794 5.381 753 HE ARG 117 HE ARG 117 11.906 3.199 5.175 754 HH11 ARG 117 1HH1 ARG 117 14.011 2.976 2.334 755 HH12 ARG 117 2HH1 ARG 117 13.365 1.422 1.872 756 HH21 ARG 117 1HH2 ARG 117 11.123 1.268 4.544 757 HH22 ARG 117 2HH2 ARG 117 11.749 0.444 3.115 758 H THR 118 H THR 118 16.788 8.162 4.968 759 HA THR 118 HA THR 118 17.322 10.536 3.537 760 HB THR 118 HB THR 118 19.675 10.233 4.390 761 HG1 THR 118 1HG THR 118 20.012 8.425 5.720 762 HG21 THR 118 3HG2 THR 118 19.079 10.438 6.752 763 HG22 THR 118 1HG2 THR 118 17.908 11.321 5.763 764 HG23 THR 118 2HG2 THR 118 17.473 9.742 6.454 765 H ASN 119 H ASN 119 17.774 7.315 2.383 766 HA ASN 119 HA ASN 119 19.694 8.000 0.320 767 HB2 ASN 119 1HB ASN 119 19.425 5.739 -0.400 768 HB3 ASN 119 2HB ASN 119 19.527 5.748 1.353 769 HD21 ASN 119 2HD2 ASN 119 18.069 4.053 -0.962 770 HD22 ASN 119 1HD2 ASN 119 16.508 3.761 -0.217 771 H VAL 120 H VAL 120 16.398 8.798 0.542 772 HA VAL 120 HA VAL 120 16.257 9.287 -2.386 773 HB VAL 120 HB VAL 120 13.884 8.566 -2.463 774 HG11 VAL 120 1HG1 VAL 120 15.686 7.128 -3.362 775 HG12 VAL 120 2HG1 VAL 120 15.769 6.275 -1.802 776 HG13 VAL 120 3HG1 VAL 120 14.292 6.203 -2.778 777 HG21 VAL 120 3HG2 VAL 120 12.959 7.019 -0.822 778 HG22 VAL 120 1HG2 VAL 120 14.424 7.131 0.168 779 HG23 VAL 120 2HG2 VAL 120 13.363 8.547 -0.028 780 H GLN 121 H GLN 121 14.663 10.829 -3.028 781 HA GLN 121 HA GLN 121 13.317 12.544 -1.103 782 HB2 GLN 121 1HB GLN 121 15.695 13.306 -0.920 783 HB3 GLN 121 2HB GLN 121 15.694 13.667 -2.651 784 HG2 GLN 121 1HG GLN 121 13.860 15.313 -2.292 785 HG3 GLN 121 2HG GLN 121 13.854 14.941 -0.568 786 HE21 GLN 121 2HE2 GLN 121 14.704 17.402 -2.462 787 HE22 GLN 121 1HE2 GLN 121 16.193 17.908 -1.674 788 H5' G 7 H5' G 7 5.463 -8.671 12.754 789 H5'' G 7 H5" G 7 4.603 -9.312 11.341 790 H4' G 7 H4' G 7 6.854 -10.749 12.807 791 H3' G 7 H3' G 7 6.734 -9.011 10.345 792 H2' G 7 H2' G 7 7.881 -10.582 9.106 793 HO2' G 7 2HO G 7 9.812 -10.359 10.358 794 H1' G 7 H1' G 7 7.640 -12.696 11.152 795 H8 G 7 8H G 7 7.622 -14.768 9.756 796 H1 G 7 1H G 7 4.265 -12.014 4.988 797 H21 G 7 1H2 G 7 3.897 -9.939 5.459 798 H22 G 7 2H2 G 7 4.455 -9.232 6.981 799 HO5' G 7 H5T G 7 4.626 -10.428 13.986 800 H5' U 8 H5' U 8 8.243 -5.618 12.527 801 H5'' U 8 H5" U 8 6.755 -6.520 12.198 802 H4' U 8 H4' U 8 7.642 -4.158 10.507 803 H3' U 8 H3' U 8 7.114 -3.838 13.192 804 H2' U 8 H2' U 8 5.047 -4.962 13.103 805 HO2' U 8 2HO U 8 4.680 -2.164 12.881 806 H1' U 8 H1' U 8 4.413 -3.393 10.573 807 H3 U 8 3H U 8 0.215 -4.926 11.848 808 H5 U 8 5H U 8 2.504 -8.409 11.721 809 H6 U 8 6H U 8 4.477 -7.054 11.091 810 H5' G 9 H5' G 9 8.945 -0.518 9.303 811 H5'' G 9 H5" G 9 7.396 -1.351 9.378 812 H4' G 9 H4' G 9 9.996 -2.459 8.226 813 H3' G 9 H3' G 9 7.446 -1.309 7.079 814 H2' G 9 H2' G 9 7.588 -2.772 5.239 815 HO2' G 9 2HO G 9 10.067 -2.457 5.265 816 H1' G 9 H1' G 9 8.445 -4.972 6.690 817 H8 G 9 8H G 9 6.407 -6.279 5.974 818 H1 G 9 1H G 9 2.275 -1.994 8.438 819 H21 G 9 1H2 G 9 3.440 -0.251 9.260 820 H22 G 9 2H2 G 9 5.185 -0.224 9.065 821 H5' U 10 H5' U 10 7.473 -0.430 3.727 822 H5'' U 10 H5" U 10 9.060 0.333 3.762 823 H4' U 10 H4' U 10 7.717 1.194 1.932 824 H3' U 10 H3' U 10 9.173 2.869 3.483 825 H2' U 10 H2' U 10 7.381 3.196 5.100 826 HO2' U 10 2HO U 10 8.060 5.277 3.588 827 H1' U 10 H1' U 10 5.639 3.720 2.691 828 H3 U 10 3H U 10 1.663 4.297 4.727 829 H5 U 10 5H U 10 3.745 1.951 7.495 830 H6 U 10 6H U 10 5.674 1.940 6.000 831 H5' G 11 H5' G 11 11.899 3.068 -0.070 832 H5'' G 11 H5" G 11 10.404 3.610 -0.828 833 H4' G 11 H4' G 11 10.424 1.320 1.163 834 H3' G 11 H3' G 11 11.912 1.210 -1.194 835 H2' G 11 H2' G 11 10.235 1.554 -2.725 836 HO2' G 11 2HO G 11 10.390 -1.118 -1.998 837 H1' G 11 H1' G 11 8.028 0.126 -1.193 838 H8 G 11 8H G 11 7.304 3.504 -0.864 839 H1 G 11 1H G 11 6.178 1.950 -7.012 840 H21 G 11 1H2 G 11 7.260 0.013 -7.469 841 H22 G 11 2H2 G 11 8.152 -0.792 -6.188 842 H5' C 12 H5' C 12 13.773 -1.598 -1.461 843 H5'' C 12 H5" C 12 12.406 -2.701 -1.665 844 H4' C 12 H4' C 12 13.716 -4.550 -0.650 845 H3' C 12 H3' C 12 15.329 -2.735 0.557 846 HO3' C 12 H3T C 12 17.071 -4.507 -0.134 847 H2' C 12 H2' C 12 16.025 -1.590 -1.354 848 HO2' C 12 2HO C 12 18.185 -2.305 -1.874 849 H1' C 12 H1' C 12 16.616 -4.045 -2.963 850 H41 C 12 1H4 C 12 16.065 1.199 -6.695 851 H42 C 12 2H4 C 12 14.392 0.750 -7.028 852 H5 C 12 5H C 12 13.351 -1.164 -5.954 853 H6 C 12 6H C 12 13.666 -2.926 -4.334 Start of MODEL 7 1 H1 GLY 19 1H GLY 19 -24.645 13.805 2.376 2 H2 GLY 19 2H GLY 19 -25.500 15.196 2.494 3 H3 GLY 19 3H GLY 19 -24.958 14.690 1.032 4 HA2 GLY 19 1HA GLY 19 -22.668 14.999 1.690 5 HA3 GLY 19 2HA GLY 19 -23.595 16.504 1.827 6 H SER 20 H SER 20 -21.675 16.960 3.288 7 HA SER 20 HA SER 20 -22.448 16.712 6.086 8 HB2 SER 20 1HB SER 20 -21.353 14.533 5.805 9 HB3 SER 20 2HB SER 20 -19.923 15.317 5.109 10 HG SER 20 HG SER 20 -19.844 14.778 7.437 11 H THR 21 H THR 21 -21.380 18.217 7.405 12 HA THR 21 HA THR 21 -20.071 20.487 6.134 13 HB THR 21 HB THR 21 -19.847 21.281 8.513 14 HG1 THR 21 1HG THR 21 -20.899 20.027 10.085 15 HG21 THR 21 3HG2 THR 21 -22.237 21.664 8.862 16 HG22 THR 21 1HG2 THR 21 -21.848 21.828 7.143 17 HG23 THR 21 2HG2 THR 21 -22.654 20.358 7.731 18 H ASN 22 H ASN 22 -18.906 17.486 7.294 19 HA ASN 22 HA ASN 22 -16.204 18.405 7.908 20 HB2 ASN 22 1HB ASN 22 -17.338 16.462 8.995 21 HB3 ASN 22 2HB ASN 22 -17.312 15.607 7.450 22 HD21 ASN 22 2HD2 ASN 22 -15.109 17.216 9.838 23 HD22 ASN 22 1HD2 ASN 22 -13.781 16.103 9.562 24 H ALA 23 H ALA 23 -17.846 17.914 4.944 25 HA ALA 23 HA ALA 23 -15.694 16.783 3.373 26 HB1 ALA 23 1HB ALA 23 -18.088 16.596 2.758 27 HB2 ALA 23 2HB ALA 23 -18.167 18.360 2.532 28 HB3 ALA 23 3HB ALA 23 -17.144 17.371 1.472 29 H GLU 24 H GLU 24 -14.298 17.765 1.925 30 HA GLU 24 HA GLU 24 -13.986 20.684 1.836 31 HB2 GLU 24 1HB GLU 24 -11.839 18.795 2.905 32 HB3 GLU 24 2HB GLU 24 -11.521 20.443 2.368 33 HG2 GLU 24 1HG GLU 24 -13.163 21.276 4.087 34 HG3 GLU 24 2HG GLU 24 -13.263 19.626 4.718 35 HA PRO 25 HA PRO 25 -12.743 19.807 -2.317 36 HB2 PRO 25 1HB PRO 25 -10.558 21.876 -2.040 37 HB3 PRO 25 2HB PRO 25 -11.836 21.734 -3.288 38 HG2 PRO 25 1HG PRO 25 -12.080 23.533 -1.296 39 HG3 PRO 25 2HG PRO 25 -13.499 22.523 -1.744 40 HD2 PRO 25 1HD PRO 25 -11.502 22.057 0.501 41 HD3 PRO 25 2HD PRO 25 -13.286 22.093 0.567 42 H VAL 26 H VAL 26 -11.471 17.889 -0.652 43 HA VAL 26 HA VAL 26 -8.615 17.709 -1.311 44 HB VAL 26 HB VAL 26 -8.615 15.614 -0.005 45 HG11 VAL 26 1HG1 VAL 26 -8.186 17.797 1.048 46 HG12 VAL 26 2HG1 VAL 26 -9.914 17.968 1.424 47 HG13 VAL 26 3HG1 VAL 26 -8.965 16.667 2.167 48 HG21 VAL 26 3HG2 VAL 26 -10.541 14.910 1.306 49 HG22 VAL 26 1HG2 VAL 26 -11.548 16.197 0.628 50 HG23 VAL 26 2HG2 VAL 26 -10.994 14.865 -0.402 51 H VAL 27 H VAL 27 -9.909 17.848 -3.606 52 HA VAL 27 HA VAL 27 -9.445 15.336 -5.036 53 HB VAL 27 HB VAL 27 -11.703 14.990 -4.087 54 HG11 VAL 27 1HG1 VAL 27 -12.509 17.336 -3.990 55 HG12 VAL 27 2HG1 VAL 27 -12.636 17.353 -5.764 56 HG13 VAL 27 3HG1 VAL 27 -13.645 16.255 -4.808 57 HG21 VAL 27 3HG2 VAL 27 -12.798 14.252 -6.102 58 HG22 VAL 27 1HG2 VAL 27 -11.808 15.328 -7.103 59 HG23 VAL 27 2HG2 VAL 27 -11.055 13.964 -6.246 60 H GLY 28 H GLY 28 -9.205 15.635 -7.257 61 HA2 GLY 28 1HA GLY 28 -8.879 16.818 -9.249 62 HA3 GLY 28 2HA GLY 28 -9.545 18.289 -8.500 63 H SER 29 H SER 29 -7.208 17.044 -6.435 64 HA SER 29 HA SER 29 -5.307 19.161 -6.997 65 HB2 SER 29 1HB SER 29 -4.126 18.127 -5.038 66 HB3 SER 29 2HB SER 29 -5.811 18.577 -4.729 67 HG SER 29 HG SER 29 -5.289 16.461 -3.934 68 H ARG 30 H ARG 30 -5.593 15.964 -8.202 69 HA ARG 30 HA ARG 30 -4.316 14.672 -9.559 70 HB2 ARG 30 1HB ARG 30 -3.147 17.396 -10.248 71 HB3 ARG 30 2HB ARG 30 -2.840 15.922 -11.173 72 HG2 ARG 30 1HG ARG 30 -5.158 15.654 -11.743 73 HG3 ARG 30 2HG ARG 30 -5.656 16.965 -10.662 74 HD2 ARG 30 1HD ARG 30 -4.478 18.620 -12.020 75 HD3 ARG 30 2HD ARG 30 -3.790 17.349 -13.031 76 HE ARG 30 HE ARG 30 -5.725 17.219 -14.237 77 HH11 ARG 30 1HH1 ARG 30 -6.633 18.914 -11.240 78 HH12 ARG 30 2HH1 ARG 30 -8.141 19.439 -11.918 79 HH21 ARG 30 1HH2 ARG 30 -7.711 17.878 -14.986 80 HH22 ARG 30 2HH2 ARG 30 -8.762 18.825 -13.977 81 H ASP 31 H ASP 31 -3.543 14.261 -7.111 82 HA ASP 31 HA ASP 31 -0.641 13.701 -7.264 83 HB2 ASP 31 1HB ASP 31 -0.832 15.859 -6.135 84 HB3 ASP 31 2HB ASP 31 -1.964 15.164 -4.959 85 H THR 32 H THR 32 0.090 12.135 -5.793 86 HA THR 32 HA THR 32 -1.696 9.874 -5.792 87 HB THR 32 HB THR 32 0.356 8.616 -5.348 88 HG1 THR 32 1HG THR 32 2.296 9.814 -5.087 89 HG21 THR 32 3HG2 THR 32 1.594 9.249 -7.358 90 HG22 THR 32 1HG2 THR 32 -0.139 9.468 -7.674 91 HG23 THR 32 2HG2 THR 32 0.885 10.881 -7.345 92 H MET 33 H MET 33 -0.919 12.082 -3.291 93 HA MET 33 HA MET 33 -0.812 10.503 -0.994 94 HB2 MET 33 1HB MET 33 -0.473 12.929 -1.096 95 HB3 MET 33 2HB MET 33 -2.193 13.191 -1.405 96 HG2 MET 33 1HG MET 33 -2.773 12.335 0.797 97 HG3 MET 33 2HG MET 33 -1.107 11.862 1.108 98 HE1 MET 33 3HE MET 33 0.726 15.142 1.885 99 HE2 MET 33 1HE MET 33 0.745 13.368 1.946 100 HE3 MET 33 2HE MET 33 0.757 14.208 0.377 101 H PHE 34 H PHE 34 -3.622 10.968 -3.011 102 HA PHE 34 HA PHE 34 -5.345 9.567 -1.009 103 HB2 PHE 34 1HB PHE 34 -6.177 11.580 -3.116 104 HB3 PHE 34 2HB PHE 34 -7.211 10.817 -1.907 105 HD1 PHE 34 1HD PHE 34 -6.621 11.175 0.597 106 HD2 PHE 34 2HD PHE 34 -5.139 13.664 -2.599 107 HE1 PHE 34 1HE PHE 34 -6.102 12.973 2.233 108 HE2 PHE 34 2HE PHE 34 -4.629 15.459 -0.962 109 HZ PHE 34 HZ PHE 34 -5.105 15.116 1.455 110 H THR 35 H THR 35 -3.661 8.650 -3.591 111 HA THR 35 HA THR 35 -5.742 6.672 -4.432 112 HB THR 35 HB THR 35 -4.791 6.751 -6.751 113 HG1 THR 35 1HG THR 35 -3.712 8.679 -7.301 114 HG21 THR 35 3HG2 THR 35 -6.103 8.674 -7.478 115 HG22 THR 35 1HG2 THR 35 -6.961 7.786 -6.212 116 HG23 THR 35 2HG2 THR 35 -6.146 9.319 -5.822 117 H LYS 36 H LYS 36 -2.345 7.297 -3.763 118 HA LYS 36 HA LYS 36 -1.590 4.533 -4.442 119 HB2 LYS 36 1HB LYS 36 -0.127 6.441 -4.948 120 HB3 LYS 36 2HB LYS 36 0.000 6.818 -3.218 121 HG2 LYS 36 1HG LYS 36 1.084 4.626 -2.819 122 HG3 LYS 36 2HG LYS 36 0.896 4.205 -4.529 123 HD2 LYS 36 1HD LYS 36 2.333 6.097 -5.180 124 HD3 LYS 36 2HD LYS 36 2.477 6.597 -3.480 125 HE2 LYS 36 1HE LYS 36 3.563 4.445 -2.921 126 HE3 LYS 36 2HE LYS 36 3.391 3.904 -4.596 127 HZ1 LYS 36 3HZ LYS 36 5.595 4.799 -4.098 128 HZ2 LYS 36 1HZ LYS 36 4.872 5.656 -5.288 129 HZ3 LYS 36 2HZ LYS 36 4.971 6.275 -3.767 130 H ILE 37 H ILE 37 -1.433 2.910 -3.074 131 HA ILE 37 HA ILE 37 -2.058 3.249 -0.159 132 HB ILE 37 HB ILE 37 -3.049 1.101 -2.079 133 HG12 ILE 37 1HG1 ILE 37 -4.641 3.440 -0.944 134 HG13 ILE 37 2HG1 ILE 37 -4.095 3.315 -2.617 135 HG21 ILE 37 1HG2 ILE 37 -2.816 0.460 0.354 136 HG22 ILE 37 2HG2 ILE 37 -3.979 1.742 0.748 137 HG23 ILE 37 3HG2 ILE 37 -4.455 0.362 -0.264 138 HD11 ILE 37 3HD1 ILE 37 -6.393 2.701 -2.555 139 HD12 ILE 37 1HD1 ILE 37 -5.447 1.241 -2.901 140 HD13 ILE 37 2HD1 ILE 37 -6.123 1.513 -1.273 141 H PHE 38 H PHE 38 -0.607 2.388 1.131 142 HA PHE 38 HA PHE 38 1.433 0.420 0.260 143 HB2 PHE 38 1HB PHE 38 2.244 2.210 1.674 144 HB3 PHE 38 2HB PHE 38 0.904 2.030 2.789 145 HD1 PHE 38 2HD PHE 38 0.816 0.225 4.436 146 HD2 PHE 38 1HD PHE 38 4.246 0.684 1.828 147 HE1 PHE 38 2HE PHE 38 2.107 -1.332 5.858 148 HE2 PHE 38 1HE PHE 38 5.538 -0.789 3.333 149 HZ PHE 38 HZ PHE 38 4.482 -1.860 5.293 150 H VAL 39 H VAL 39 1.246 -1.725 0.774 151 HA VAL 39 HA VAL 39 -0.958 -2.625 2.587 152 HB VAL 39 HB VAL 39 -0.464 -3.831 -0.165 153 HG11 VAL 39 1HG1 VAL 39 -1.179 -5.540 1.382 154 HG12 VAL 39 2HG1 VAL 39 -2.374 -4.480 2.126 155 HG13 VAL 39 3HG1 VAL 39 -2.623 -5.076 0.474 156 HG21 VAL 39 3HG2 VAL 39 -2.692 -3.016 -0.761 157 HG22 VAL 39 1HG2 VAL 39 -2.807 -2.139 0.784 158 HG23 VAL 39 2HG2 VAL 39 -1.600 -1.678 -0.440 159 H GLY 40 H GLY 40 0.424 -3.255 4.192 160 HA2 GLY 40 1HA GLY 40 2.481 -5.345 3.528 161 HA3 GLY 40 2HA GLY 40 2.561 -4.338 4.950 162 H GLY 41 H GLY 41 2.896 -6.645 5.715 163 HA2 GLY 41 1HA GLY 41 2.141 -8.418 6.986 164 HA3 GLY 41 2HA GLY 41 0.492 -7.739 6.936 165 H LEU 42 H LEU 42 1.989 -8.276 3.892 166 HA LEU 42 HA LEU 42 0.046 -10.318 3.115 167 HB2 LEU 42 1HB LEU 42 2.430 -9.071 1.669 168 HB3 LEU 42 2HB LEU 42 1.268 -10.159 0.925 169 HG LEU 42 HG LEU 42 0.600 -7.400 2.048 170 HD11 LEU 42 1HD1 LEU 42 2.032 -7.333 0.026 171 HD12 LEU 42 2HD1 LEU 42 0.877 -8.375 -0.830 172 HD13 LEU 42 3HD1 LEU 42 0.399 -6.741 -0.312 173 HD21 LEU 42 3HD2 LEU 42 -1.565 -7.761 0.801 174 HD22 LEU 42 1HD2 LEU 42 -1.080 -9.443 0.520 175 HD23 LEU 42 2HD2 LEU 42 -1.360 -8.854 2.173 176 HA PRO 43 HA PRO 43 2.771 -13.866 3.777 177 HB2 PRO 43 1HB PRO 43 1.466 -14.848 1.241 178 HB3 PRO 43 2HB PRO 43 1.781 -15.730 2.773 179 HG2 PRO 43 1HG PRO 43 -0.686 -14.811 2.222 180 HG3 PRO 43 2HG PRO 43 -0.014 -14.622 3.865 181 HD2 PRO 43 1HD PRO 43 -0.163 -12.540 1.660 182 HD3 PRO 43 2HD PRO 43 -0.530 -12.369 3.391 183 H TYR 44 H TYR 44 4.770 -14.553 2.904 184 HA TYR 44 HA TYR 44 6.043 -12.943 0.916 185 HB2 TYR 44 1HB TYR 44 6.797 -15.675 2.004 186 HB3 TYR 44 2HB TYR 44 7.873 -14.620 1.110 187 HD1 TYR 44 2HD TYR 44 6.902 -11.968 2.646 188 HD2 TYR 44 1HD TYR 44 8.295 -15.865 3.868 189 HE1 TYR 44 2HE TYR 44 7.779 -10.997 4.752 190 HE2 TYR 44 1HE TYR 44 9.179 -14.889 5.971 191 HH TYR 44 HH TYR 44 9.475 -12.976 7.214 192 H HIS 45 H HIS 45 3.871 -15.495 0.392 193 HA HIS 45 HA HIS 45 4.902 -16.086 -2.332 194 HB2 HIS 45 1HB HIS 45 3.353 -17.949 -2.320 195 HB3 HIS 45 2HB HIS 45 4.420 -17.985 -0.926 196 HD2 HIS 45 2HD HIS 45 3.284 -18.350 1.361 197 HE1 HIS 45 1HE HIS 45 -0.747 -17.490 0.313 198 HE2 HIS 45 2HE HIS 45 0.779 -18.338 2.163 199 H THR 46 H THR 46 2.656 -13.893 -0.989 200 HA THR 46 HA THR 46 0.752 -13.678 -3.157 201 HB THR 46 HB THR 46 1.837 -11.585 -1.224 202 HG1 THR 46 1HG THR 46 -0.610 -13.014 -1.171 203 HG21 THR 46 3HG2 THR 46 -0.316 -10.408 -1.626 204 HG22 THR 46 1HG2 THR 46 0.674 -10.460 -3.088 205 HG23 THR 46 2HG2 THR 46 -0.707 -11.561 -2.913 206 H SER 47 H SER 47 0.916 -12.659 -5.123 207 HA SER 47 HA SER 47 3.542 -11.391 -5.847 208 HB2 SER 47 1HB SER 47 1.578 -12.910 -7.603 209 HB3 SER 47 2HB SER 47 3.050 -12.098 -8.152 210 HG SER 47 HG SER 47 2.918 -14.269 -6.296 211 H ASP 48 H ASP 48 3.340 -9.815 -7.711 212 HA ASP 48 HA ASP 48 1.647 -7.631 -7.029 213 HB2 ASP 48 1HB ASP 48 2.515 -6.633 -9.072 214 HB3 ASP 48 2HB ASP 48 3.805 -7.391 -8.143 215 H LYS 49 H LYS 49 1.240 -10.224 -9.426 216 HA LYS 49 HA LYS 49 -1.205 -9.258 -10.616 217 HB2 LYS 49 1HB LYS 49 0.217 -10.899 -11.692 218 HB3 LYS 49 2HB LYS 49 0.080 -12.013 -10.326 219 HG2 LYS 49 1HG LYS 49 -2.260 -12.439 -10.807 220 HG3 LYS 49 2HG LYS 49 -2.279 -11.179 -12.066 221 HD2 LYS 49 1HD LYS 49 -0.747 -12.452 -13.456 222 HD3 LYS 49 2HD LYS 49 -0.427 -13.599 -12.156 223 HE2 LYS 49 1HE LYS 49 -1.881 -14.594 -13.836 224 HE3 LYS 49 2HE LYS 49 -2.691 -14.488 -12.271 225 HZ1 LYS 49 3HZ LYS 49 -4.085 -13.804 -14.180 226 HZ2 LYS 49 1HZ LYS 49 -3.971 -12.655 -13.035 227 HZ3 LYS 49 2HZ LYS 49 -3.115 -12.513 -14.441 228 H THR 50 H THR 50 -0.567 -11.395 -7.815 229 HA THR 50 HA THR 50 -3.274 -12.085 -7.214 230 HB THR 50 HB THR 50 -1.107 -11.764 -5.114 231 HG1 THR 50 1HG THR 50 -1.286 -13.933 -6.927 232 HG21 THR 50 3HG2 THR 50 -2.059 -13.927 -4.308 233 HG22 THR 50 1HG2 THR 50 -3.236 -12.607 -4.298 234 HG23 THR 50 2HG2 THR 50 -3.295 -13.837 -5.582 235 H LEU 51 H LEU 51 -1.162 -9.471 -5.979 236 HA LEU 51 HA LEU 51 -3.209 -8.379 -4.284 237 HB2 LEU 51 1HB LEU 51 -0.715 -8.185 -3.933 238 HB3 LEU 51 2HB LEU 51 -0.632 -7.142 -5.347 239 HG LEU 51 HG LEU 51 -2.187 -5.523 -4.146 240 HD11 LEU 51 1HD1 LEU 51 -3.198 -7.039 -2.500 241 HD12 LEU 51 2HD1 LEU 51 -1.607 -7.338 -1.766 242 HD13 LEU 51 3HD1 LEU 51 -2.347 -5.723 -1.689 243 HD21 LEU 51 3HD2 LEU 51 -0.394 -4.632 -2.686 244 HD22 LEU 51 1HD2 LEU 51 0.491 -6.164 -2.848 245 HD23 LEU 51 2HD2 LEU 51 0.210 -5.134 -4.272 246 H HIS 52 H HIS 52 -2.224 -7.574 -7.631 247 HA HIS 52 HA HIS 52 -3.922 -5.288 -7.932 248 HB2 HIS 52 1HB HIS 52 -2.245 -5.923 -9.624 249 HB3 HIS 52 2HB HIS 52 -3.079 -7.437 -9.923 250 HD2 HIS 52 2HD HIS 52 -3.388 -3.648 -10.628 251 HE1 HIS 52 1HE HIS 52 -6.289 -5.618 -13.043 252 HE2 HIS 52 2HE HIS 52 -5.136 -3.395 -12.574 253 H GLU 53 H GLU 53 -4.543 -8.783 -8.234 254 HA GLU 53 HA GLU 53 -7.223 -8.510 -9.266 255 HB2 GLU 53 1HB GLU 53 -5.576 -10.793 -8.163 256 HB3 GLU 53 2HB GLU 53 -7.299 -11.007 -8.553 257 HG2 GLU 53 1HG GLU 53 -6.921 -10.259 -10.855 258 HG3 GLU 53 2HG GLU 53 -5.221 -9.946 -10.510 259 H TYR 54 H TYR 54 -5.964 -9.025 -5.923 260 HA TYR 54 HA TYR 54 -8.531 -9.348 -4.730 261 HB2 TYR 54 1HB TYR 54 -6.304 -9.863 -3.680 262 HB3 TYR 54 2HB TYR 54 -6.058 -8.134 -3.440 263 HD1 TYR 54 1HD TYR 54 -8.070 -11.095 -2.492 264 HD2 TYR 54 2HD TYR 54 -7.385 -6.902 -1.742 265 HE1 TYR 54 1HE TYR 54 -9.563 -11.211 -0.510 266 HE2 TYR 54 2HE TYR 54 -8.891 -7.011 0.234 267 HH TYR 54 HH TYR 54 -10.576 -10.042 1.184 268 H PHE 55 H PHE 55 -6.796 -6.383 -5.633 269 HA PHE 55 HA PHE 55 -8.661 -4.673 -4.179 270 HB2 PHE 55 1HB PHE 55 -6.146 -4.239 -5.764 271 HB3 PHE 55 2HB PHE 55 -7.223 -2.884 -5.491 272 HD1 PHE 55 2HD PHE 55 -5.645 -5.691 -3.485 273 HD2 PHE 55 1HD PHE 55 -6.901 -1.565 -3.601 274 HE1 PHE 55 2HE PHE 55 -4.812 -5.369 -1.180 275 HE2 PHE 55 1HE PHE 55 -6.054 -1.252 -1.292 276 HZ PHE 55 HZ PHE 55 -5.049 -3.160 -0.063 277 H GLU 56 H GLU 56 -8.990 -6.160 -7.223 278 HA GLU 56 HA GLU 56 -10.270 -4.018 -8.640 279 HB2 GLU 56 1HB GLU 56 -10.672 -7.020 -8.914 280 HB3 GLU 56 2HB GLU 56 -11.282 -5.784 -10.029 281 HG2 GLU 56 1HG GLU 56 -8.890 -5.016 -10.328 282 HG3 GLU 56 2HG GLU 56 -8.398 -6.499 -9.500 283 H GLN 57 H GLN 57 -11.408 -5.874 -5.973 284 HA GLN 57 HA GLN 57 -14.248 -5.513 -6.385 285 HB2 GLN 57 1HB GLN 57 -14.511 -6.320 -4.171 286 HB3 GLN 57 2HB GLN 57 -13.171 -7.223 -4.874 287 HG2 GLN 57 1HG GLN 57 -11.586 -5.609 -3.677 288 HG3 GLN 57 2HG GLN 57 -12.998 -4.914 -2.887 289 HE21 GLN 57 2HE2 GLN 57 -10.663 -7.443 -2.721 290 HE22 GLN 57 1HE2 GLN 57 -11.409 -8.297 -1.372 291 H PHE 58 H PHE 58 -11.792 -3.252 -5.508 292 HA PHE 58 HA PHE 58 -13.692 -1.426 -4.141 293 HB2 PHE 58 1HB PHE 58 -10.704 -1.159 -4.572 294 HB3 PHE 58 2HB PHE 58 -11.705 -0.203 -3.497 295 HD1 PHE 58 2HD PHE 58 -13.237 -1.945 -1.849 296 HD2 PHE 58 1HD PHE 58 -9.269 -2.565 -3.412 297 HE1 PHE 58 2HE PHE 58 -12.735 -3.487 0.027 298 HE2 PHE 58 1HE PHE 58 -8.771 -4.118 -1.541 299 HZ PHE 58 HZ PHE 58 -10.507 -4.583 0.183 300 H GLY 59 H GLY 59 -12.369 -1.903 -7.288 301 HA2 GLY 59 1HA GLY 59 -13.662 -0.381 -8.929 302 HA3 GLY 59 2HA GLY 59 -12.822 0.934 -8.107 303 H ASP 60 H ASP 60 -12.021 1.403 -10.218 304 HA ASP 60 HA ASP 60 -10.305 -0.352 -11.706 305 HB2 ASP 60 1HB ASP 60 -10.657 2.671 -11.842 306 HB3 ASP 60 2HB ASP 60 -9.862 1.664 -13.044 307 H ILE 61 H ILE 61 -8.091 -0.217 -12.060 308 HA ILE 61 HA ILE 61 -6.433 0.906 -9.820 309 HB ILE 61 HB ILE 61 -6.119 -1.818 -11.097 310 HG12 ILE 61 1HG1 ILE 61 -7.297 -1.172 -8.354 311 HG13 ILE 61 2HG1 ILE 61 -8.235 -1.716 -9.746 312 HG21 ILE 61 1HG2 ILE 61 -4.027 -0.839 -10.183 313 HG22 ILE 61 2HG2 ILE 61 -4.835 -0.549 -8.626 314 HG23 ILE 61 3HG2 ILE 61 -4.535 -2.196 -9.201 315 HD11 ILE 61 3HD1 ILE 61 -7.924 -3.625 -8.465 316 HD12 ILE 61 1HD1 ILE 61 -6.812 -3.804 -9.818 317 HD13 ILE 61 2HD1 ILE 61 -6.199 -3.329 -8.210 318 H GLU 62 H GLU 62 -4.476 1.815 -10.401 319 HA GLU 62 HA GLU 62 -3.810 2.167 -13.257 320 HB2 GLU 62 1HB GLU 62 -2.698 3.229 -10.640 321 HB3 GLU 62 2HB GLU 62 -1.766 3.361 -12.118 322 HG2 GLU 62 1HG GLU 62 -4.569 4.472 -11.842 323 HG3 GLU 62 2HG GLU 62 -3.120 5.382 -11.453 324 H GLU 63 H GLU 63 -2.315 0.733 -10.327 325 HA GLU 63 HA GLU 63 -0.854 -1.319 -11.740 326 HB2 GLU 63 1HB GLU 63 0.469 0.726 -12.340 327 HB3 GLU 63 2HB GLU 63 0.680 1.082 -10.626 328 HG2 GLU 63 1HG GLU 63 2.036 -0.923 -10.330 329 HG3 GLU 63 2HG GLU 63 1.635 -1.489 -11.957 330 H ALA 64 H ALA 64 0.224 -2.724 -10.239 331 HA ALA 64 HA ALA 64 0.235 -2.043 -7.393 332 HB1 ALA 64 1HB ALA 64 -1.938 -3.258 -7.756 333 HB2 ALA 64 2HB ALA 64 -1.007 -4.633 -8.397 334 HB3 ALA 64 3HB ALA 64 -0.814 -4.153 -6.709 335 H VAL 65 H VAL 65 1.689 -3.352 -6.188 336 HA VAL 65 HA VAL 65 3.580 -5.141 -7.600 337 HB VAL 65 HB VAL 65 5.563 -3.927 -6.797 338 HG11 VAL 65 1HG1 VAL 65 4.809 -3.627 -9.138 339 HG12 VAL 65 2HG1 VAL 65 3.933 -2.154 -8.649 340 HG13 VAL 65 3HG1 VAL 65 5.697 -2.234 -8.502 341 HG21 VAL 65 3HG2 VAL 65 5.472 -1.577 -6.114 342 HG22 VAL 65 1HG2 VAL 65 3.699 -1.605 -6.159 343 HG23 VAL 65 2HG2 VAL 65 4.589 -2.584 -4.969 344 H VAL 66 H VAL 66 4.994 -6.286 -6.165 345 HA VAL 66 HA VAL 66 4.455 -6.064 -3.241 346 HB VAL 66 HB VAL 66 4.745 -8.670 -4.792 347 HG11 VAL 66 1HG1 VAL 66 6.054 -8.839 -2.705 348 HG12 VAL 66 2HG1 VAL 66 4.691 -8.178 -1.771 349 HG13 VAL 66 3HG1 VAL 66 4.565 -9.768 -2.543 350 HG21 VAL 66 3HG2 VAL 66 2.549 -9.203 -3.778 351 HG22 VAL 66 1HG2 VAL 66 2.506 -7.607 -3.001 352 HG23 VAL 66 2HG2 VAL 66 2.435 -7.746 -4.770 353 H ILE 67 H ILE 67 6.288 -5.937 -2.049 354 HA ILE 67 HA ILE 67 8.663 -5.215 -3.598 355 HB ILE 67 HB ILE 67 8.161 -5.052 -0.612 356 HG12 ILE 67 1HG1 ILE 67 6.557 -3.597 -1.588 357 HG13 ILE 67 2HG1 ILE 67 7.894 -2.598 -1.070 358 HG21 ILE 67 1HG2 ILE 67 10.553 -5.016 -1.098 359 HG22 ILE 67 2HG2 ILE 67 10.321 -3.811 -2.381 360 HG23 ILE 67 3HG2 ILE 67 10.008 -3.387 -0.687 361 HD11 ILE 67 3HD1 ILE 67 7.178 -1.735 -3.129 362 HD12 ILE 67 1HD1 ILE 67 8.718 -2.556 -3.471 363 HD13 ILE 67 2HD1 ILE 67 7.180 -3.327 -3.920 364 H THR 68 H THR 68 9.770 -6.794 -4.367 365 HA THR 68 HA THR 68 11.035 -8.786 -2.559 366 HB THR 68 HB THR 68 11.676 -9.939 -4.700 367 HG1 THR 68 1HG THR 68 11.027 -9.183 -6.533 368 HG21 THR 68 3HG2 THR 68 9.481 -10.991 -5.057 369 HG22 THR 68 1HG2 THR 68 9.813 -10.761 -3.335 370 HG23 THR 68 2HG2 THR 68 8.683 -9.671 -4.172 371 H ASP 69 H ASP 69 13.150 -8.648 -2.245 372 HA ASP 69 HA ASP 69 14.517 -6.280 -2.552 373 HB2 ASP 69 1HB ASP 69 15.007 -8.213 -1.064 374 HB3 ASP 69 2HB ASP 69 15.782 -9.008 -2.425 375 H ARG 70 H ARG 70 15.372 -5.184 -4.221 376 HA ARG 70 HA ARG 70 15.565 -6.353 -6.798 377 HB2 ARG 70 1HB ARG 70 16.561 -3.674 -5.854 378 HB3 ARG 70 2HB ARG 70 16.468 -4.187 -7.540 379 HG2 ARG 70 1HG ARG 70 14.128 -3.812 -5.633 380 HG3 ARG 70 2HG ARG 70 14.518 -2.867 -7.078 381 HD2 ARG 70 1HD ARG 70 14.168 -5.065 -8.373 382 HD3 ARG 70 2HD ARG 70 13.518 -5.721 -6.865 383 HE ARG 70 HE ARG 70 12.393 -3.335 -8.299 384 HH11 ARG 70 1HH1 ARG 70 11.702 -6.203 -6.313 385 HH12 ARG 70 2HH1 ARG 70 10.052 -6.265 -6.847 386 HH21 ARG 70 1HH2 ARG 70 10.213 -3.357 -8.747 387 HH22 ARG 70 2HH2 ARG 70 9.187 -4.578 -8.055 388 H ASN 71 H ASN 71 17.690 -6.936 -4.374 389 HA ASN 71 HA ASN 71 19.990 -7.477 -6.213 390 HB2 ASN 71 1HB ASN 71 20.002 -7.423 -3.178 391 HB3 ASN 71 2HB ASN 71 21.388 -7.449 -4.260 392 HD21 ASN 71 2HD2 ASN 71 18.879 -5.481 -2.821 393 HD22 ASN 71 1HD2 ASN 71 19.511 -3.915 -3.328 394 H THR 72 H THR 72 17.650 -9.059 -4.102 395 HA THR 72 HA THR 72 18.858 -11.764 -4.599 396 HB THR 72 HB THR 72 18.091 -12.237 -2.151 397 HG1 THR 72 1HG THR 72 18.241 -10.250 -0.926 398 HG21 THR 72 3HG2 THR 72 20.172 -11.401 -1.209 399 HG22 THR 72 1HG2 THR 72 20.507 -11.979 -2.852 400 HG23 THR 72 2HG2 THR 72 20.369 -10.233 -2.531 401 H GLN 73 H GLN 73 16.007 -9.945 -4.732 402 HA GLN 73 HA GLN 73 13.858 -10.333 -5.073 403 HB2 GLN 73 1HB GLN 73 14.756 -13.092 -5.994 404 HB3 GLN 73 2HB GLN 73 13.159 -12.410 -6.257 405 HG2 GLN 73 1HG GLN 73 15.758 -11.246 -7.335 406 HG3 GLN 73 2HG GLN 73 14.589 -12.185 -8.250 407 HE21 GLN 73 2HE2 GLN 73 15.461 -9.465 -8.898 408 HE22 GLN 73 1HE2 GLN 73 14.010 -8.479 -8.808 409 H LYS 74 H LYS 74 15.119 -11.197 -2.364 410 HA LYS 74 HA LYS 74 13.173 -13.065 -1.318 411 HB2 LYS 74 1HB LYS 74 14.241 -12.673 0.815 412 HB3 LYS 74 2HB LYS 74 15.408 -12.929 -0.447 413 HG2 LYS 74 1HG LYS 74 16.419 -11.253 0.683 414 HG3 LYS 74 2HG LYS 74 15.566 -10.337 -0.551 415 HD2 LYS 74 1HD LYS 74 13.746 -9.893 1.166 416 HD3 LYS 74 2HD LYS 74 14.752 -10.686 2.367 417 HE2 LYS 74 1HE LYS 74 15.536 -8.201 0.746 418 HE3 LYS 74 2HE LYS 74 14.876 -8.170 2.373 419 HZ1 LYS 74 3HZ LYS 74 17.280 -8.011 2.370 420 HZ2 LYS 74 1HZ LYS 74 16.852 -9.410 3.110 421 HZ3 LYS 74 2HZ LYS 74 17.443 -9.415 1.577 422 H SER 75 H SER 75 11.215 -12.695 -0.404 423 HA SER 75 HA SER 75 9.887 -10.174 -0.973 424 HB2 SER 75 1HB SER 75 8.888 -12.604 0.550 425 HB3 SER 75 2HB SER 75 7.899 -11.303 -0.137 426 HG SER 75 HG SER 75 7.999 -13.183 -1.499 427 H ARG 76 H ARG 76 9.463 -8.463 0.356 428 HA ARG 76 HA ARG 76 10.363 -8.579 3.168 429 HB2 ARG 76 1HB ARG 76 9.444 -6.303 1.385 430 HB3 ARG 76 2HB ARG 76 9.791 -6.136 3.112 431 HG2 ARG 76 1HG ARG 76 12.077 -7.191 2.647 432 HG3 ARG 76 2HG ARG 76 11.754 -6.912 0.927 433 HD2 ARG 76 1HD ARG 76 11.616 -4.533 1.259 434 HD3 ARG 76 2HD ARG 76 11.484 -4.709 3.008 435 HE ARG 76 HE ARG 76 13.961 -5.234 1.410 436 HH11 ARG 76 1HH1 ARG 76 12.554 -4.316 4.545 437 HH12 ARG 76 2HH1 ARG 76 14.123 -3.999 5.224 438 HH21 ARG 76 1HH2 ARG 76 15.854 -4.755 2.295 439 HH22 ARG 76 2HH2 ARG 76 15.994 -4.251 3.964 440 H GLY 77 H GLY 77 7.417 -9.342 1.771 441 HA2 GLY 77 1HA GLY 77 5.453 -9.959 2.889 442 HA3 GLY 77 2HA GLY 77 6.056 -9.189 4.376 443 H TYR 78 H TYR 78 6.185 -7.066 1.695 444 HA TYR 78 HA TYR 78 3.421 -6.147 1.928 445 HB2 TYR 78 1HB TYR 78 3.927 -3.941 2.580 446 HB3 TYR 78 2HB TYR 78 4.846 -4.940 3.684 447 HD1 TYR 78 1HD TYR 78 7.378 -5.200 3.262 448 HD2 TYR 78 2HD TYR 78 4.910 -2.323 1.205 449 HE1 TYR 78 1HE TYR 78 9.392 -3.831 2.735 450 HE2 TYR 78 2HE TYR 78 6.915 -0.927 0.763 451 HH TYR 78 HH TYR 78 10.199 -1.872 1.797 452 H GLY 79 H GLY 79 2.883 -4.422 0.485 453 HA2 GLY 79 1HA GLY 79 4.444 -4.077 -2.011 454 HA3 GLY 79 2HA GLY 79 2.861 -4.842 -2.097 455 H PHE 80 H PHE 80 2.727 -2.916 -3.542 456 HA PHE 80 HA PHE 80 1.251 -0.777 -2.136 457 HB2 PHE 80 1HB PHE 80 3.515 -0.397 -4.107 458 HB3 PHE 80 2HB PHE 80 2.197 0.748 -4.070 459 HD1 PHE 80 2HD PHE 80 5.099 -0.563 -2.139 460 HD2 PHE 80 1HD PHE 80 1.854 2.286 -2.262 461 HE1 PHE 80 2HE PHE 80 6.166 0.766 -0.334 462 HE2 PHE 80 1HE PHE 80 2.940 3.601 -0.458 463 HZ PHE 80 HZ PHE 80 5.101 2.841 0.501 464 H VAL 81 H VAL 81 -0.441 0.081 -3.261 465 HA VAL 81 HA VAL 81 -1.115 -0.955 -5.991 466 HB VAL 81 HB VAL 81 -3.161 -0.713 -3.739 467 HG11 VAL 81 1HG1 VAL 81 -4.109 -0.338 -5.984 468 HG12 VAL 81 2HG1 VAL 81 -3.369 -1.839 -6.572 469 HG13 VAL 81 3HG1 VAL 81 -4.655 -1.890 -5.352 470 HG21 VAL 81 3HG2 VAL 81 -3.340 -3.194 -3.823 471 HG22 VAL 81 1HG2 VAL 81 -1.920 -3.241 -4.887 472 HG23 VAL 81 2HG2 VAL 81 -1.777 -2.651 -3.215 473 H THR 82 H THR 82 -1.916 0.679 -7.330 474 HA THR 82 HA THR 82 -2.650 3.297 -6.044 475 HB THR 82 HB THR 82 -1.203 2.935 -8.688 476 HG1 THR 82 1HG THR 82 0.163 2.603 -6.952 477 HG21 THR 82 3HG2 THR 82 -0.970 5.411 -8.547 478 HG22 THR 82 1HG2 THR 82 -2.669 4.938 -8.677 479 HG23 THR 82 2HG2 THR 82 -2.005 5.428 -7.103 480 H MET 83 H MET 83 -4.629 3.929 -6.412 481 HA MET 83 HA MET 83 -6.330 2.325 -8.204 482 HB2 MET 83 1HB MET 83 -7.165 4.475 -6.233 483 HB3 MET 83 2HB MET 83 -8.177 3.269 -7.016 484 HG2 MET 83 1HG MET 83 -5.992 2.767 -4.972 485 HG3 MET 83 2HG MET 83 -7.720 2.667 -4.701 486 HE1 MET 83 3HE MET 83 -8.800 -0.563 -6.525 487 HE2 MET 83 1HE MET 83 -9.287 0.855 -5.565 488 HE3 MET 83 2HE MET 83 -8.775 1.049 -7.261 489 H LYS 84 H LYS 84 -7.653 3.139 -9.872 490 HA LYS 84 HA LYS 84 -6.483 5.334 -11.392 491 HB2 LYS 84 1HB LYS 84 -8.437 3.165 -11.818 492 HB3 LYS 84 2HB LYS 84 -8.874 4.641 -12.664 493 HG2 LYS 84 1HG LYS 84 -6.711 4.702 -13.778 494 HG3 LYS 84 2HG LYS 84 -6.181 3.273 -12.862 495 HD2 LYS 84 1HD LYS 84 -7.817 1.866 -13.950 496 HD3 LYS 84 2HD LYS 84 -8.567 3.261 -14.738 497 HE2 LYS 84 1HE LYS 84 -7.213 2.019 -16.328 498 HE3 LYS 84 2HE LYS 84 -6.526 3.635 -16.070 499 HZ1 LYS 84 3HZ LYS 84 -4.919 1.722 -16.086 500 HZ2 LYS 84 1HZ LYS 84 -4.801 2.776 -14.842 501 HZ3 LYS 84 2HZ LYS 84 -5.504 1.293 -14.602 502 H ASP 85 H ASP 85 -8.996 5.291 -9.062 503 HA ASP 85 HA ASP 85 -9.322 8.195 -9.456 504 HB2 ASP 85 1HB ASP 85 -11.220 7.050 -10.672 505 HB3 ASP 85 2HB ASP 85 -11.755 6.403 -9.121 506 H ARG 86 H ARG 86 -9.919 9.300 -7.633 507 HA ARG 86 HA ARG 86 -8.893 8.398 -5.150 508 HB2 ARG 86 1HB ARG 86 -9.375 10.810 -6.106 509 HB3 ARG 86 2HB ARG 86 -10.968 10.590 -5.370 510 HG2 ARG 86 1HG ARG 86 -9.674 10.015 -3.187 511 HG3 ARG 86 2HG ARG 86 -8.224 10.526 -4.056 512 HD2 ARG 86 1HD ARG 86 -8.987 12.386 -2.716 513 HD3 ARG 86 2HD ARG 86 -9.240 12.778 -4.413 514 HE ARG 86 HE ARG 86 -11.528 12.831 -4.058 515 HH11 ARG 86 1HH1 ARG 86 -10.106 11.284 -1.184 516 HH12 ARG 86 2HH1 ARG 86 -11.702 11.066 -0.473 517 HH21 ARG 86 1HH2 ARG 86 -13.501 12.548 -2.948 518 HH22 ARG 86 2HH2 ARG 86 -13.469 11.711 -1.409 519 H ALA 87 H ALA 87 -12.236 8.303 -6.436 520 HA ALA 87 HA ALA 87 -13.448 7.538 -3.911 521 HB1 ALA 87 1HB ALA 87 -14.625 8.727 -5.759 522 HB2 ALA 87 2HB ALA 87 -14.486 7.269 -6.768 523 HB3 ALA 87 3HB ALA 87 -15.451 7.239 -5.277 524 H SER 88 H SER 88 -11.720 5.683 -6.334 525 HA SER 88 HA SER 88 -12.715 3.080 -5.401 526 HB2 SER 88 1HB SER 88 -10.253 3.766 -7.027 527 HB3 SER 88 2HB SER 88 -10.981 2.162 -6.830 528 HG SER 88 HG SER 88 -11.518 3.379 -8.822 529 H ALA 89 H ALA 89 -9.969 5.260 -4.652 530 HA ALA 89 HA ALA 89 -8.729 3.430 -2.765 531 HB1 ALA 89 1HB ALA 89 -7.495 5.264 -3.866 532 HB2 ALA 89 2HB ALA 89 -8.506 6.456 -3.016 533 HB3 ALA 89 3HB ALA 89 -7.430 5.387 -2.099 534 H GLU 90 H GLU 90 -11.163 6.060 -2.468 535 HA GLU 90 HA GLU 90 -11.557 5.853 0.342 536 HB2 GLU 90 1HB GLU 90 -13.555 6.558 -1.852 537 HB3 GLU 90 2HB GLU 90 -13.874 6.704 -0.123 538 HG2 GLU 90 1HG GLU 90 -11.840 8.185 0.044 539 HG3 GLU 90 2HG GLU 90 -11.825 8.262 -1.709 540 H ARG 91 H ARG 91 -12.534 3.658 -2.180 541 HA ARG 91 HA ARG 91 -14.343 2.107 -0.407 542 HB2 ARG 91 1HB ARG 91 -13.392 1.774 -3.263 543 HB3 ARG 91 2HB ARG 91 -14.283 0.502 -2.418 544 HG2 ARG 91 1HG ARG 91 -16.208 1.879 -2.115 545 HG3 ARG 91 2HG ARG 91 -15.347 3.344 -2.608 546 HD2 ARG 91 1HD ARG 91 -15.136 2.519 -4.905 547 HD3 ARG 91 2HD ARG 91 -15.828 0.961 -4.441 548 HE ARG 91 HE ARG 91 -17.931 1.833 -4.607 549 HH11 ARG 91 1HH1 ARG 91 -15.761 4.636 -4.343 550 HH12 ARG 91 2HH1 ARG 91 -17.066 5.755 -4.634 551 HH21 ARG 91 1HH2 ARG 91 -19.527 3.340 -4.990 552 HH22 ARG 91 2HH2 ARG 91 -19.151 5.035 -5.010 553 H ALA 92 H ALA 92 -11.046 1.773 -1.795 554 HA ALA 92 HA ALA 92 -10.469 -0.770 -0.648 555 HB1 ALA 92 1HB ALA 92 -9.222 0.292 -2.518 556 HB2 ALA 92 2HB ALA 92 -8.583 1.507 -1.386 557 HB3 ALA 92 3HB ALA 92 -8.153 -0.204 -1.195 558 H CYS 93 H CYS 93 -10.021 2.487 0.757 559 HA CYS 93 HA CYS 93 -8.580 1.514 3.045 560 HB2 CYS 93 1HB CYS 93 -8.643 3.780 3.809 561 HB3 CYS 93 2HB CYS 93 -8.436 3.816 2.047 562 HG CYS 93 HG CYS 93 -10.951 4.229 1.464 563 H LYS 94 H LYS 94 -11.922 1.190 2.470 564 HA LYS 94 HA LYS 94 -12.934 1.605 5.140 565 HB2 LYS 94 1HB LYS 94 -14.007 0.115 2.727 566 HB3 LYS 94 2HB LYS 94 -14.846 0.187 4.280 567 HG2 LYS 94 1HG LYS 94 -14.666 2.721 4.195 568 HG3 LYS 94 2HG LYS 94 -14.057 2.547 2.539 569 HD2 LYS 94 1HD LYS 94 -16.172 1.408 1.892 570 HD3 LYS 94 2HD LYS 94 -16.709 1.489 3.578 571 HE2 LYS 94 1HE LYS 94 -17.836 3.267 2.465 572 HE3 LYS 94 2HE LYS 94 -16.584 3.996 3.473 573 HZ1 LYS 94 3HZ LYS 94 -16.576 5.009 1.303 574 HZ2 LYS 94 1HZ LYS 94 -15.189 4.141 1.429 575 HZ3 LYS 94 2HZ LYS 94 -16.440 3.570 0.540 576 H ASP 95 H ASP 95 -11.249 -1.100 3.762 577 HA ASP 95 HA ASP 95 -11.594 -2.579 6.344 578 HB2 ASP 95 1HB ASP 95 -12.660 -3.719 4.463 579 HB3 ASP 95 2HB ASP 95 -11.099 -3.832 3.643 580 HA PRO 96 HA PRO 96 -7.193 -1.394 6.140 581 HB2 PRO 96 1HB PRO 96 -6.673 -1.240 8.801 582 HB3 PRO 96 2HB PRO 96 -7.614 0.011 7.932 583 HG2 PRO 96 1HG PRO 96 -8.678 -2.325 9.554 584 HG3 PRO 96 2HG PRO 96 -9.155 -0.600 9.659 585 HD2 PRO 96 1HD PRO 96 -10.557 -2.437 8.188 586 HD3 PRO 96 2HD PRO 96 -10.404 -0.733 7.663 587 H ASN 97 H ASN 97 -8.726 -4.266 7.384 588 HA ASN 97 HA ASN 97 -6.160 -5.743 7.351 589 HB2 ASN 97 1HB ASN 97 -8.172 -5.927 9.615 590 HB3 ASN 97 2HB ASN 97 -6.742 -6.920 9.412 591 HD21 ASN 97 2HD2 ASN 97 -4.591 -5.477 9.101 592 HD22 ASN 97 1HD2 ASN 97 -4.451 -4.245 10.334 593 HA PRO 98 HA PRO 98 -9.649 -7.681 5.005 594 HB2 PRO 98 1HB PRO 98 -8.449 -7.960 2.564 595 HB3 PRO 98 2HB PRO 98 -9.153 -6.415 3.142 596 HG2 PRO 98 1HG PRO 98 -6.258 -7.330 3.252 597 HG3 PRO 98 2HG PRO 98 -6.903 -5.776 2.636 598 HD2 PRO 98 1HD PRO 98 -5.914 -6.032 5.155 599 HD3 PRO 98 2HD PRO 98 -7.341 -5.015 4.827 600 H ILE 99 H ILE 99 -6.564 -8.951 5.787 601 HA ILE 99 HA ILE 99 -5.693 -11.041 5.991 602 HB ILE 99 HB ILE 99 -8.401 -12.279 5.701 603 HG12 ILE 99 1HG1 ILE 99 -8.919 -10.482 7.187 604 HG13 ILE 99 2HG1 ILE 99 -8.811 -11.962 8.111 605 HG21 ILE 99 1HG2 ILE 99 -6.483 -13.798 5.981 606 HG22 ILE 99 2HG2 ILE 99 -5.969 -12.927 7.431 607 HG23 ILE 99 3HG2 ILE 99 -7.499 -13.825 7.420 608 HD11 ILE 99 3HD1 ILE 99 -7.821 -10.137 9.361 609 HD12 ILE 99 1HD1 ILE 99 -6.530 -11.264 8.917 610 HD13 ILE 99 2HD1 ILE 99 -6.742 -9.731 8.025 611 H ILE 100 H ILE 100 -4.992 -10.225 3.734 612 HA ILE 100 HA ILE 100 -5.991 -11.645 1.382 613 HB ILE 100 HB ILE 100 -3.601 -9.833 1.857 614 HG12 ILE 100 1HG1 ILE 100 -6.055 -9.396 0.105 615 HG13 ILE 100 2HG1 ILE 100 -6.064 -8.979 1.805 616 HG21 ILE 100 1HG2 ILE 100 -2.937 -11.362 0.055 617 HG22 ILE 100 2HG2 ILE 100 -4.490 -11.112 -0.775 618 HG23 ILE 100 3HG2 ILE 100 -3.310 -9.795 -0.645 619 HD11 ILE 100 3HD1 ILE 100 -5.582 -6.991 0.531 620 HD12 ILE 100 1HD1 ILE 100 -4.129 -7.436 1.446 621 HD13 ILE 100 2HD1 ILE 100 -4.228 -7.772 -0.299 622 H ASP 101 H ASP 101 -5.450 -13.555 0.660 623 HA ASP 101 HA ASP 101 -4.552 -15.609 0.448 624 HB2 ASP 101 1HB ASP 101 -2.035 -13.937 0.671 625 HB3 ASP 101 2HB ASP 101 -1.989 -15.654 0.306 626 H GLY 102 H GLY 102 -5.184 -14.699 3.259 627 HA2 GLY 102 1HA GLY 102 -5.547 -16.112 5.088 628 HA3 GLY 102 2HA GLY 102 -4.270 -17.212 4.522 629 H ARG 103 H ARG 103 -3.777 -13.717 5.014 630 HA ARG 103 HA ARG 103 -2.692 -14.080 7.720 631 HB2 ARG 103 1HB ARG 103 -0.741 -14.647 6.252 632 HB3 ARG 103 2HB ARG 103 -0.894 -13.061 5.477 633 HG2 ARG 103 1HG ARG 103 -0.489 -11.954 7.667 634 HG3 ARG 103 2HG ARG 103 -0.350 -13.537 8.445 635 HD2 ARG 103 1HD ARG 103 1.685 -13.998 7.142 636 HD3 ARG 103 2HD ARG 103 1.479 -12.485 6.252 637 HE ARG 103 HE ARG 103 1.901 -11.213 8.244 638 HH11 ARG 103 1HH1 ARG 103 2.555 -14.659 8.835 639 HH12 ARG 103 2HH1 ARG 103 3.426 -14.294 10.295 640 HH21 ARG 103 1HH2 ARG 103 3.001 -10.865 10.079 641 HH22 ARG 103 2HH2 ARG 103 3.717 -12.170 10.972 642 H LYS 104 H LYS 104 -2.798 -12.197 8.917 643 HA LYS 104 HA LYS 104 -4.560 -10.162 7.998 644 HB2 LYS 104 1HB LYS 104 -4.349 -10.853 10.344 645 HB3 LYS 104 2HB LYS 104 -2.730 -10.129 10.415 646 HG2 LYS 104 1HG LYS 104 -3.674 -7.892 9.984 647 HG3 LYS 104 2HG LYS 104 -5.268 -8.586 9.675 648 HD2 LYS 104 1HD LYS 104 -5.179 -7.547 11.871 649 HD3 LYS 104 2HD LYS 104 -5.468 -9.290 12.005 650 HE2 LYS 104 1HE LYS 104 -3.091 -9.670 12.539 651 HE3 LYS 104 2HE LYS 104 -2.739 -7.950 12.320 652 HZ1 LYS 104 3HZ LYS 104 -3.021 -8.508 14.662 653 HZ2 LYS 104 1HZ LYS 104 -4.207 -7.482 14.208 654 HZ3 LYS 104 2HZ LYS 104 -4.532 -9.074 14.407 655 H ALA 105 H ALA 105 -4.068 -8.995 6.314 656 HA ALA 105 HA ALA 105 -1.528 -7.618 5.954 657 HB1 ALA 105 1HB ALA 105 -2.822 -8.501 4.039 658 HB2 ALA 105 2HB ALA 105 -4.170 -7.414 4.440 659 HB3 ALA 105 3HB ALA 105 -2.613 -6.747 3.917 660 H ASN 106 H ASN 106 -1.588 -5.228 5.551 661 HA ASN 106 HA ASN 106 -3.321 -3.708 7.450 662 HB2 ASN 106 1HB ASN 106 -0.296 -3.505 7.246 663 HB3 ASN 106 2HB ASN 106 -1.341 -2.544 8.289 664 HD21 ASN 106 2HD2 ASN 106 0.576 -5.343 8.139 665 HD22 ASN 106 1HD2 ASN 106 -0.131 -6.231 9.489 666 H VAL 107 H VAL 107 -4.435 -2.506 6.058 667 HA VAL 107 HA VAL 107 -3.166 -1.430 3.569 668 HB VAL 107 HB VAL 107 -6.088 -1.914 4.270 669 HG11 VAL 107 1HG1 VAL 107 -5.938 -0.022 2.687 670 HG12 VAL 107 2HG1 VAL 107 -4.823 -0.961 1.665 671 HG13 VAL 107 3HG1 VAL 107 -6.518 -1.459 1.844 672 HG21 VAL 107 3HG2 VAL 107 -5.981 -3.686 2.568 673 HG22 VAL 107 1HG2 VAL 107 -4.260 -3.362 2.321 674 HG23 VAL 107 2HG2 VAL 107 -4.828 -4.016 3.871 675 H ASN 108 H ASN 108 -2.824 0.677 3.356 676 HA ASN 108 HA ASN 108 -4.759 2.649 4.159 677 HB2 ASN 108 1HB ASN 108 -3.307 4.008 5.615 678 HB3 ASN 108 2HB ASN 108 -3.738 2.480 6.345 679 HD21 ASN 108 2HD2 ASN 108 -1.022 4.324 4.865 680 HD22 ASN 108 1HD2 ASN 108 0.191 3.349 5.685 681 H LEU 109 H LEU 109 -4.304 4.791 3.370 682 HA LEU 109 HA LEU 109 -2.935 5.042 0.875 683 HB2 LEU 109 1HB LEU 109 -3.781 7.051 2.993 684 HB3 LEU 109 2HB LEU 109 -3.066 7.534 1.458 685 HG LEU 109 HG LEU 109 -5.636 5.908 1.651 686 HD11 LEU 109 1HD1 LEU 109 -5.951 8.102 2.709 687 HD12 LEU 109 2HD1 LEU 109 -5.258 8.914 1.291 688 HD13 LEU 109 3HD1 LEU 109 -6.798 8.037 1.156 689 HD21 LEU 109 3HD2 LEU 109 -5.938 6.715 -0.706 690 HD22 LEU 109 1HD2 LEU 109 -4.306 7.415 -0.652 691 HD23 LEU 109 2HD2 LEU 109 -4.531 5.664 -0.528 692 H ALA 110 H ALA 110 -0.917 5.555 0.350 693 HA ALA 110 HA ALA 110 1.307 4.826 1.676 694 HB1 ALA 110 1HB ALA 110 1.227 5.460 -0.660 695 HB2 ALA 110 2HB ALA 110 1.108 7.183 -0.248 696 HB3 ALA 110 3HB ALA 110 2.591 6.272 0.135 697 H TYR 111 H TYR 111 1.269 8.463 1.546 698 HA TYR 111 HA TYR 111 2.992 9.290 3.175 699 HB2 TYR 111 1HB TYR 111 1.861 11.270 3.349 700 HB3 TYR 111 2HB TYR 111 1.281 10.516 1.891 701 HD1 TYR 111 1HD TYR 111 -1.003 9.010 2.276 702 HD2 TYR 111 2HD TYR 111 0.306 12.333 4.702 703 HE1 TYR 111 1HE TYR 111 -3.326 9.359 3.066 704 HE2 TYR 111 2HE TYR 111 -2.031 12.713 5.441 705 HH TYR 111 HH TYR 111 -4.222 12.014 5.301 706 H LEU 112 H LEU 112 1.155 7.088 5.139 707 HA LEU 112 HA LEU 112 0.892 8.900 7.433 708 HB2 LEU 112 1HB LEU 112 0.297 5.917 7.386 709 HB3 LEU 112 2HB LEU 112 -0.286 7.144 8.504 710 HG LEU 112 HG LEU 112 -1.072 6.662 5.634 711 HD11 LEU 112 1HD1 LEU 112 -2.228 5.339 7.376 712 HD12 LEU 112 2HD1 LEU 112 -2.768 6.853 8.142 713 HD13 LEU 112 3HD1 LEU 112 -3.320 6.442 6.501 714 HD21 LEU 112 3HD2 LEU 112 -2.613 8.609 5.818 715 HD22 LEU 112 1HD2 LEU 112 -1.725 9.114 7.282 716 HD23 LEU 112 2HD2 LEU 112 -0.903 9.018 5.701 717 H GLY 113 H GLY 113 2.351 5.635 7.182 718 HA2 GLY 113 1HA GLY 113 4.401 6.251 9.214 719 HA3 GLY 113 2HA GLY 113 4.138 4.706 8.364 720 H ALA 114 H ALA 114 4.388 7.653 6.516 721 HA ALA 114 HA ALA 114 6.393 6.555 4.837 722 HB1 ALA 114 1HB ALA 114 4.660 7.976 3.984 723 HB2 ALA 114 2HB ALA 114 5.221 9.349 4.984 724 HB3 ALA 114 3HB ALA 114 6.235 8.720 3.664 725 H LYS 115 H LYS 115 8.496 6.463 5.082 726 HA LYS 115 HA LYS 115 9.877 7.866 7.205 727 HB2 LYS 115 1HB LYS 115 10.931 5.991 5.043 728 HB3 LYS 115 2HB LYS 115 11.784 6.445 6.511 729 HG2 LYS 115 1HG LYS 115 9.246 4.770 6.338 730 HG3 LYS 115 2HG LYS 115 10.875 4.204 6.680 731 HD2 LYS 115 1HD LYS 115 10.890 5.436 8.826 732 HD3 LYS 115 2HD LYS 115 9.298 6.121 8.459 733 HE2 LYS 115 1HE LYS 115 8.955 4.290 9.968 734 HE3 LYS 115 2HE LYS 115 8.304 3.868 8.381 735 HZ1 LYS 115 3HZ LYS 115 9.511 2.021 9.217 736 HZ2 LYS 115 1HZ LYS 115 10.357 2.592 7.975 737 HZ3 LYS 115 2HZ LYS 115 10.877 2.905 9.513 738 HA PRO 116 HA PRO 116 11.763 11.127 4.764 739 HB2 PRO 116 1HB PRO 116 14.054 11.623 6.172 740 HB3 PRO 116 2HB PRO 116 12.425 12.091 6.747 741 HG2 PRO 116 1HG PRO 116 14.051 9.661 7.522 742 HG3 PRO 116 2HG PRO 116 13.137 10.773 8.589 743 HD2 PRO 116 1HD PRO 116 12.153 8.359 7.738 744 HD3 PRO 116 2HD PRO 116 11.076 9.755 8.017 745 H ARG 117 H ARG 117 12.870 10.979 2.894 746 HA ARG 117 HA ARG 117 15.128 9.168 2.433 747 HB2 ARG 117 1HB ARG 117 13.172 7.663 2.517 748 HB3 ARG 117 2HB ARG 117 12.412 8.566 1.201 749 HG2 ARG 117 1HG ARG 117 14.123 7.891 -0.361 750 HG3 ARG 117 2HG ARG 117 15.185 7.314 0.944 751 HD2 ARG 117 1HD ARG 117 13.604 5.574 1.538 752 HD3 ARG 117 2HD ARG 117 12.463 6.116 0.305 753 HE ARG 117 HE ARG 117 14.958 4.591 -0.071 754 HH11 ARG 117 1HH1 ARG 117 12.417 6.380 -1.762 755 HH12 ARG 117 2HH1 ARG 117 12.804 5.658 -3.295 756 HH21 ARG 117 1HH2 ARG 117 15.390 3.685 -2.066 757 HH22 ARG 117 2HH2 ARG 117 14.462 4.146 -3.460 758 H THR 118 H THR 118 16.306 9.906 0.743 759 HA THR 118 HA THR 118 15.290 11.583 -1.404 760 HB THR 118 HB THR 118 15.277 13.224 0.406 761 HG1 THR 118 1HG THR 118 15.830 13.985 -1.597 762 HG21 THR 118 3HG2 THR 118 17.249 13.946 1.567 763 HG22 THR 118 1HG2 THR 118 17.094 12.214 1.845 764 HG23 THR 118 2HG2 THR 118 18.286 12.815 0.670 765 H ASN 119 H ASN 119 16.772 11.924 -3.038 766 HA ASN 119 HA ASN 119 19.087 10.107 -3.080 767 HB2 ASN 119 1HB ASN 119 17.430 10.179 -4.911 768 HB3 ASN 119 2HB ASN 119 17.824 11.872 -5.216 769 HD21 ASN 119 2HD2 ASN 119 19.258 8.556 -5.188 770 HD22 ASN 119 1HD2 ASN 119 20.453 8.917 -6.420 771 H VAL 120 H VAL 120 18.591 13.507 -2.527 772 HA VAL 120 HA VAL 120 21.393 14.162 -2.364 773 HB VAL 120 HB VAL 120 21.240 14.053 -4.817 774 HG11 VAL 120 1HG1 VAL 120 18.842 14.622 -5.135 775 HG12 VAL 120 2HG1 VAL 120 19.199 16.310 -4.704 776 HG13 VAL 120 3HG1 VAL 120 19.921 15.587 -6.150 777 HG21 VAL 120 3HG2 VAL 120 22.248 16.161 -5.360 778 HG22 VAL 120 1HG2 VAL 120 21.545 16.942 -3.934 779 HG23 VAL 120 2HG2 VAL 120 22.780 15.674 -3.743 780 H GLN 121 H GLN 121 21.755 16.088 -1.350 781 HA GLN 121 HA GLN 121 19.569 18.016 -0.811 782 HB2 GLN 121 1HB GLN 121 21.126 16.495 1.324 783 HB3 GLN 121 2HB GLN 121 20.226 17.972 1.641 784 HG2 GLN 121 1HG GLN 121 19.005 15.377 0.612 785 HG3 GLN 121 2HG GLN 121 18.994 15.911 2.281 786 HE21 GLN 121 2HE2 GLN 121 16.922 15.664 -0.236 787 HE22 GLN 121 1HE2 GLN 121 15.913 17.071 0.101 788 H5' G 7 H5' G 7 5.639 -9.795 13.060 789 H5'' G 7 H5" G 7 4.774 -10.060 11.542 790 H4' G 7 H4' G 7 6.913 -11.862 12.746 791 H3' G 7 H3' G 7 6.769 -9.993 10.371 792 H2' G 7 H2' G 7 7.988 -11.477 9.098 793 HO2' G 7 2HO G 7 9.843 -11.465 10.529 794 H1' G 7 H1' G 7 7.511 -13.722 10.915 795 H8 G 7 8H G 7 7.277 -15.651 9.407 796 H1 G 7 1H G 7 4.158 -12.305 4.862 797 H21 G 7 1H2 G 7 4.021 -10.234 5.434 798 H22 G 7 2H2 G 7 4.698 -9.655 6.962 799 HO5' G 7 H5T G 7 4.594 -11.649 13.925 800 H5' U 8 H5' U 8 8.215 -6.755 9.088 801 H5'' U 8 H5" U 8 9.244 -6.122 10.382 802 H4' U 8 H4' U 8 7.484 -4.525 9.826 803 H3' U 8 H3' U 8 7.903 -5.528 12.495 804 H2' U 8 H2' U 8 5.744 -6.259 12.687 805 HO2' U 8 2HO U 8 5.743 -3.498 13.177 806 H1' U 8 H1' U 8 4.875 -4.143 10.666 807 H3 U 8 3H U 8 0.591 -5.424 11.735 808 H5 U 8 5H U 8 2.630 -9.074 11.611 809 H6 U 8 6H U 8 4.694 -7.855 11.019 810 H5' G 9 H5' G 9 9.426 -1.383 9.555 811 H5'' G 9 H5" G 9 7.934 -2.324 9.612 812 H4' G 9 H4' G 9 10.432 -3.058 8.013 813 H3' G 9 H3' G 9 7.838 -1.696 7.330 814 H2' G 9 H2' G 9 7.829 -2.759 5.190 815 HO2' G 9 2HO G 9 10.304 -2.505 5.128 816 H1' G 9 H1' G 9 8.643 -5.215 6.108 817 H8 G 9 8H G 9 6.543 -6.438 5.563 818 H1 G 9 1H G 9 2.671 -2.239 8.516 819 H21 G 9 1H2 G 9 3.943 -0.593 9.429 820 H22 G 9 2H2 G 9 5.682 -0.630 9.191 821 H5' U 10 H5' U 10 7.957 -0.657 3.943 822 H5'' U 10 H5" U 10 9.554 0.064 4.125 823 H4' U 10 H4' U 10 8.450 0.956 2.181 824 H3' U 10 H3' U 10 9.707 2.588 3.994 825 H2' U 10 H2' U 10 7.709 3.132 5.195 826 HO2' U 10 2HO U 10 8.424 5.076 3.328 827 H1' U 10 H1' U 10 6.307 3.479 2.544 828 H3 U 10 3H U 10 2.322 4.582 4.423 829 H5 U 10 5H U 10 3.966 1.982 7.253 830 H6 U 10 6H U 10 5.932 1.709 5.829 831 H5' G 11 H5' G 11 12.039 3.360 -0.314 832 H5'' G 11 H5" G 11 10.794 3.512 -1.552 833 H4' G 11 H4' G 11 10.687 1.702 0.896 834 H3' G 11 H3' G 11 12.158 1.250 -1.386 835 H2' G 11 H2' G 11 10.454 1.421 -2.899 836 HO2' G 11 2HO G 11 9.677 -0.615 -3.516 837 H1' G 11 H1' G 11 8.326 0.040 -1.229 838 H8 G 11 8H G 11 7.369 3.366 -1.314 839 H1 G 11 1H G 11 6.619 1.155 -7.314 840 H21 G 11 1H2 G 11 7.753 -0.781 -7.516 841 H22 G 11 2H2 G 11 8.584 -1.445 -6.119 842 H5' C 12 H5' C 12 12.475 -2.594 -2.201 843 H5'' C 12 H5" C 12 12.160 -2.964 -0.512 844 H4' C 12 H4' C 12 13.366 -4.796 -1.077 845 H3' C 12 H3' C 12 14.756 -3.164 0.635 846 HO3' C 12 H3T C 12 16.401 -5.138 -0.020 847 H2' C 12 H2' C 12 16.022 -1.985 -0.928 848 HO2' C 12 2HO C 12 18.119 -3.001 -1.139 849 H1' C 12 H1' C 12 16.554 -4.347 -2.695 850 H41 C 12 1H4 C 12 17.733 1.068 -5.913 851 H42 C 12 2H4 C 12 16.036 1.170 -6.383 852 H5 C 12 5H C 12 14.378 -0.380 -5.516 853 H6 C 12 6H C 12 14.033 -2.294 -4.054 Start of MODEL 8 1 H1 GLY 19 1H GLY 19 -30.079 12.680 10.778 2 H2 GLY 19 2H GLY 19 -29.894 12.764 9.154 3 H3 GLY 19 3H GLY 19 -30.674 11.487 9.824 4 HA2 GLY 19 1HA GLY 19 -28.668 10.733 10.907 5 HA3 GLY 19 2HA GLY 19 -28.464 10.830 9.148 6 H SER 20 H SER 20 -26.142 10.831 10.006 7 HA SER 20 HA SER 20 -25.008 13.492 9.791 8 HB2 SER 20 1HB SER 20 -25.673 13.382 12.232 9 HB3 SER 20 2HB SER 20 -24.556 12.019 12.414 10 HG SER 20 HG SER 20 -23.611 14.081 12.953 11 H THR 21 H THR 21 -22.569 13.364 9.926 12 HA THR 21 HA THR 21 -21.190 10.864 9.589 13 HB THR 21 HB THR 21 -22.397 10.858 7.446 14 HG1 THR 21 1HG THR 21 -20.603 10.345 6.321 15 HG21 THR 21 3HG2 THR 21 -21.851 12.437 5.669 16 HG22 THR 21 1HG2 THR 21 -22.565 13.317 7.027 17 HG23 THR 21 2HG2 THR 21 -20.809 13.376 6.755 18 H ASN 22 H ASN 22 -18.975 11.095 9.262 19 HA ASN 22 HA ASN 22 -17.827 13.793 9.785 20 HB2 ASN 22 1HB ASN 22 -15.945 12.725 10.738 21 HB3 ASN 22 2HB ASN 22 -17.367 11.998 11.470 22 HD21 ASN 22 2HD2 ASN 22 -14.653 10.877 11.339 23 HD22 ASN 22 1HD2 ASN 22 -14.795 9.372 10.448 24 H ALA 23 H ALA 23 -18.562 12.022 7.155 25 HA ALA 23 HA ALA 23 -16.124 11.923 5.643 26 HB1 ALA 23 1HB ALA 23 -18.130 10.540 5.196 27 HB2 ALA 23 2HB ALA 23 -19.037 12.001 4.734 28 HB3 ALA 23 3HB ALA 23 -17.654 11.462 3.760 29 H GLU 24 H GLU 24 -15.891 13.052 3.506 30 HA GLU 24 HA GLU 24 -16.753 15.810 3.280 31 HB2 GLU 24 1HB GLU 24 -14.550 16.829 3.438 32 HB3 GLU 24 2HB GLU 24 -14.952 16.027 4.945 33 HG2 GLU 24 1HG GLU 24 -13.513 14.087 4.277 34 HG3 GLU 24 2HG GLU 24 -13.081 14.943 2.793 35 HA PRO 25 HA PRO 25 -16.323 15.074 -0.973 36 HB2 PRO 25 1HB PRO 25 -14.671 17.584 -1.313 37 HB3 PRO 25 2HB PRO 25 -16.119 17.053 -2.226 38 HG2 PRO 25 1HG PRO 25 -16.365 18.916 -0.287 39 HG3 PRO 25 2HG PRO 25 -17.559 17.579 -0.383 40 HD2 PRO 25 1HD PRO 25 -15.139 17.813 1.425 41 HD3 PRO 25 2HD PRO 25 -16.815 17.345 1.838 42 H VAL 26 H VAL 26 -15.103 14.102 -2.536 43 HA VAL 26 HA VAL 26 -12.145 13.873 -2.160 44 HB VAL 26 HB VAL 26 -12.293 11.579 -3.087 45 HG11 VAL 26 1HG1 VAL 26 -12.067 12.001 -0.678 46 HG12 VAL 26 2HG1 VAL 26 -13.836 11.982 -0.504 47 HG13 VAL 26 3HG1 VAL 26 -12.973 10.516 -1.016 48 HG21 VAL 26 3HG2 VAL 26 -14.382 10.340 -3.106 49 HG22 VAL 26 1HG2 VAL 26 -15.298 11.766 -2.585 50 HG23 VAL 26 2HG2 VAL 26 -14.547 11.723 -4.193 51 H VAL 27 H VAL 27 -13.053 15.916 -3.543 52 HA VAL 27 HA VAL 27 -12.185 15.541 -6.303 53 HB VAL 27 HB VAL 27 -14.541 14.768 -6.382 54 HG11 VAL 27 1HG1 VAL 27 -15.519 16.158 -4.580 55 HG12 VAL 27 2HG1 VAL 27 -15.332 17.605 -5.595 56 HG13 VAL 27 3HG1 VAL 27 -16.419 16.296 -6.095 57 HG21 VAL 27 3HG2 VAL 27 -15.239 16.016 -8.313 58 HG22 VAL 27 1HG2 VAL 27 -14.208 17.390 -7.883 59 HG23 VAL 27 2HG2 VAL 27 -13.477 15.838 -8.359 60 H GLY 28 H GLY 28 -11.830 17.544 -7.392 61 HA2 GLY 28 1HA GLY 28 -11.468 19.895 -7.476 62 HA3 GLY 28 2HA GLY 28 -11.787 20.028 -5.729 63 H SER 29 H SER 29 -9.843 17.407 -5.979 64 HA SER 29 HA SER 29 -7.238 18.534 -6.541 65 HB2 SER 29 1HB SER 29 -6.301 18.197 -4.280 66 HB3 SER 29 2HB SER 29 -7.489 19.499 -4.338 67 HG SER 29 HG SER 29 -7.855 18.242 -2.512 68 H ARG 30 H ARG 30 -5.603 16.913 -6.624 69 HA ARG 30 HA ARG 30 -6.364 14.070 -6.293 70 HB2 ARG 30 1HB ARG 30 -5.516 15.236 -8.971 71 HB3 ARG 30 2HB ARG 30 -5.719 13.522 -8.590 72 HG2 ARG 30 1HG ARG 30 -8.160 13.960 -8.119 73 HG3 ARG 30 2HG ARG 30 -7.906 15.639 -8.631 74 HD2 ARG 30 1HD ARG 30 -8.733 14.674 -10.557 75 HD3 ARG 30 2HD ARG 30 -6.995 14.693 -10.829 76 HE ARG 30 HE ARG 30 -6.965 12.367 -10.819 77 HH11 ARG 30 1HH1 ARG 30 -10.147 13.362 -9.556 78 HH12 ARG 30 2HH1 ARG 30 -10.778 11.733 -9.752 79 HH21 ARG 30 1HH2 ARG 30 -7.968 10.305 -11.027 80 HH22 ARG 30 2HH2 ARG 30 -9.649 10.166 -10.556 81 H ASP 31 H ASP 31 -4.649 13.020 -5.470 82 HA ASP 31 HA ASP 31 -1.937 13.381 -6.301 83 HB2 ASP 31 1HB ASP 31 -2.515 15.376 -4.601 84 HB3 ASP 31 2HB ASP 31 -2.302 14.113 -3.397 85 H THR 32 H THR 32 -0.434 12.061 -4.885 86 HA THR 32 HA THR 32 -1.370 9.375 -4.699 87 HB THR 32 HB THR 32 0.857 8.909 -3.728 88 HG1 THR 32 1HG THR 32 2.245 10.707 -3.397 89 HG21 THR 32 3HG2 THR 32 2.206 9.695 -5.601 90 HG22 THR 32 1HG2 THR 32 0.596 9.254 -6.200 91 HG23 THR 32 2HG2 THR 32 1.022 10.967 -5.981 92 H MET 33 H MET 33 -1.090 11.857 -2.215 93 HA MET 33 HA MET 33 -1.527 10.276 0.107 94 HB2 MET 33 1HB MET 33 -2.437 13.120 -0.519 95 HB3 MET 33 2HB MET 33 -2.425 12.384 1.090 96 HG2 MET 33 1HG MET 33 0.013 12.085 0.974 97 HG3 MET 33 2HG MET 33 0.044 12.746 -0.655 98 HE1 MET 33 3HE MET 33 -0.615 15.143 3.238 99 HE2 MET 33 1HE MET 33 -1.708 13.830 2.759 100 HE3 MET 33 2HE MET 33 -0.006 13.481 3.136 101 H PHE 34 H PHE 34 -3.696 10.793 -2.491 102 HA PHE 34 HA PHE 34 -6.022 9.854 -0.866 103 HB2 PHE 34 1HB PHE 34 -6.152 11.454 -3.426 104 HB3 PHE 34 2HB PHE 34 -7.441 11.122 -2.273 105 HD1 PHE 34 1HD PHE 34 -6.364 11.915 0.330 106 HD2 PHE 34 2HD PHE 34 -5.872 13.761 -3.538 107 HE1 PHE 34 1HE PHE 34 -5.951 14.105 1.421 108 HE2 PHE 34 2HE PHE 34 -5.460 15.946 -2.443 109 HZ PHE 34 HZ PHE 34 -5.493 16.122 0.038 110 H THR 35 H THR 35 -3.861 8.739 -3.214 111 HA THR 35 HA THR 35 -5.821 6.713 -4.198 112 HB THR 35 HB THR 35 -5.044 6.956 -6.485 113 HG1 THR 35 1HG THR 35 -3.797 8.800 -7.006 114 HG21 THR 35 3HG2 THR 35 -6.234 8.931 -7.124 115 HG22 THR 35 1HG2 THR 35 -7.078 8.190 -5.756 116 HG23 THR 35 2HG2 THR 35 -6.071 9.639 -5.504 117 H LYS 36 H LYS 36 -2.524 7.361 -3.285 118 HA LYS 36 HA LYS 36 -1.615 4.716 -4.275 119 HB2 LYS 36 1HB LYS 36 -0.193 6.716 -4.605 120 HB3 LYS 36 2HB LYS 36 -0.113 6.940 -2.847 121 HG2 LYS 36 1HG LYS 36 0.997 4.750 -2.595 122 HG3 LYS 36 2HG LYS 36 0.888 4.478 -4.344 123 HD2 LYS 36 1HD LYS 36 2.318 6.443 -4.759 124 HD3 LYS 36 2HD LYS 36 2.370 6.795 -3.015 125 HE2 LYS 36 1HE LYS 36 3.446 4.599 -2.596 126 HE3 LYS 36 2HE LYS 36 3.390 4.228 -4.324 127 HZ1 LYS 36 3HZ LYS 36 5.541 5.079 -3.600 128 HZ2 LYS 36 1HZ LYS 36 4.885 6.056 -4.736 129 HZ3 LYS 36 2HZ LYS 36 4.883 6.512 -3.155 130 H ILE 37 H ILE 37 -1.527 2.987 -3.018 131 HA ILE 37 HA ILE 37 -2.167 3.201 -0.100 132 HB ILE 37 HB ILE 37 -3.131 1.101 -2.078 133 HG12 ILE 37 1HG1 ILE 37 -4.692 3.486 -0.995 134 HG13 ILE 37 2HG1 ILE 37 -4.119 3.324 -2.656 135 HG21 ILE 37 1HG2 ILE 37 -2.980 0.429 0.336 136 HG22 ILE 37 2HG2 ILE 37 -4.118 1.736 0.728 137 HG23 ILE 37 3HG2 ILE 37 -4.610 0.386 -0.313 138 HD11 ILE 37 3HD1 ILE 37 -6.416 2.776 -2.662 139 HD12 ILE 37 1HD1 ILE 37 -5.518 1.269 -2.919 140 HD13 ILE 37 2HD1 ILE 37 -6.232 1.630 -1.323 141 H PHE 38 H PHE 38 -0.683 2.359 1.171 142 HA PHE 38 HA PHE 38 1.347 0.397 0.264 143 HB2 PHE 38 1HB PHE 38 2.205 2.081 1.740 144 HB3 PHE 38 2HB PHE 38 0.823 1.967 2.810 145 HD1 PHE 38 2HD PHE 38 4.062 0.301 1.857 146 HD2 PHE 38 1HD PHE 38 0.632 0.285 4.507 147 HE1 PHE 38 2HE PHE 38 5.201 -1.259 3.390 148 HE2 PHE 38 1HE PHE 38 1.766 -1.369 5.961 149 HZ PHE 38 HZ PHE 38 4.067 -2.175 5.376 150 H VAL 39 H VAL 39 1.225 -1.749 0.794 151 HA VAL 39 HA VAL 39 -1.024 -2.717 2.503 152 HB VAL 39 HB VAL 39 -0.396 -3.890 -0.245 153 HG11 VAL 39 1HG1 VAL 39 -1.138 -5.628 1.237 154 HG12 VAL 39 2HG1 VAL 39 -2.359 -4.603 1.980 155 HG13 VAL 39 3HG1 VAL 39 -2.572 -5.159 0.314 156 HG21 VAL 39 3HG2 VAL 39 -2.607 -3.109 -0.927 157 HG22 VAL 39 1HG2 VAL 39 -2.803 -2.242 0.616 158 HG23 VAL 39 2HG2 VAL 39 -1.554 -1.755 -0.552 159 H GLY 40 H GLY 40 0.424 -3.170 4.138 160 HA2 GLY 40 1HA GLY 40 2.491 -5.271 3.625 161 HA3 GLY 40 2HA GLY 40 2.374 -4.334 5.095 162 H GLY 41 H GLY 41 2.697 -6.713 5.708 163 HA2 GLY 41 1HA GLY 41 1.888 -8.565 6.773 164 HA3 GLY 41 2HA GLY 41 0.282 -7.798 6.793 165 H LEU 42 H LEU 42 1.958 -8.411 3.796 166 HA LEU 42 HA LEU 42 -0.050 -10.352 2.867 167 HB2 LEU 42 1HB LEU 42 2.519 -9.265 1.612 168 HB3 LEU 42 2HB LEU 42 1.351 -10.292 0.790 169 HG LEU 42 HG LEU 42 0.782 -7.478 1.834 170 HD11 LEU 42 1HD1 LEU 42 2.340 -7.514 -0.085 171 HD12 LEU 42 2HD1 LEU 42 1.179 -8.481 -1.016 172 HD13 LEU 42 3HD1 LEU 42 0.770 -6.822 -0.525 173 HD21 LEU 42 3HD2 LEU 42 -1.318 -7.740 0.435 174 HD22 LEU 42 1HD2 LEU 42 -0.931 -9.461 0.271 175 HD23 LEU 42 2HD2 LEU 42 -1.272 -8.759 1.872 176 HA PRO 43 HA PRO 43 2.585 -13.817 4.062 177 HB2 PRO 43 1HB PRO 43 1.619 -15.802 2.466 178 HB3 PRO 43 2HB PRO 43 0.788 -15.232 3.941 179 HG2 PRO 43 1HG PRO 43 0.211 -14.498 1.077 180 HG3 PRO 43 2HG PRO 43 -0.946 -14.870 2.388 181 HD2 PRO 43 1HD PRO 43 -0.303 -12.291 1.643 182 HD3 PRO 43 2HD PRO 43 -0.749 -12.728 3.312 183 H TYR 44 H TYR 44 4.551 -14.576 3.233 184 HA TYR 44 HA TYR 44 5.741 -12.936 1.317 185 HB2 TYR 44 1HB TYR 44 6.700 -15.633 2.324 186 HB3 TYR 44 2HB TYR 44 7.713 -14.427 1.552 187 HD1 TYR 44 2HD TYR 44 6.890 -11.885 2.904 188 HD2 TYR 44 1HD TYR 44 7.583 -15.839 4.487 189 HE1 TYR 44 2HE TYR 44 7.486 -10.903 5.107 190 HE2 TYR 44 1HE TYR 44 8.172 -14.857 6.689 191 HH TYR 44 HH TYR 44 8.468 -12.926 7.901 192 H HIS 45 H HIS 45 3.889 -15.658 0.502 193 HA HIS 45 HA HIS 45 5.185 -16.069 -2.134 194 HB2 HIS 45 1HB HIS 45 3.579 -17.944 -2.321 195 HB3 HIS 45 2HB HIS 45 4.641 -18.043 -0.924 196 HD2 HIS 45 2HD HIS 45 3.348 -19.089 1.021 197 HE1 HIS 45 1HE HIS 45 -0.392 -17.108 0.616 198 HE2 HIS 45 2HE HIS 45 0.930 -18.780 2.006 199 H THR 46 H THR 46 3.020 -13.825 -1.027 200 HA THR 46 HA THR 46 1.077 -13.677 -3.179 201 HB THR 46 HB THR 46 2.138 -11.451 -1.381 202 HG1 THR 46 1HG THR 46 1.228 -13.062 -0.162 203 HG21 THR 46 3HG2 THR 46 -0.022 -10.369 -1.798 204 HG22 THR 46 1HG2 THR 46 0.805 -10.602 -3.340 205 HG23 THR 46 2HG2 THR 46 -0.521 -11.689 -2.860 206 H SER 47 H SER 47 1.241 -12.768 -5.186 207 HA SER 47 HA SER 47 3.824 -11.446 -5.963 208 HB2 SER 47 1HB SER 47 1.827 -12.984 -7.664 209 HB3 SER 47 2HB SER 47 3.272 -12.156 -8.257 210 HG SER 47 HG SER 47 3.220 -14.328 -6.398 211 H ASP 48 H ASP 48 3.539 -9.869 -7.833 212 HA ASP 48 HA ASP 48 1.837 -7.713 -7.090 213 HB2 ASP 48 1HB ASP 48 2.594 -6.695 -9.162 214 HB3 ASP 48 2HB ASP 48 3.940 -7.429 -8.296 215 H LYS 49 H LYS 49 1.328 -10.355 -9.429 216 HA LYS 49 HA LYS 49 -1.173 -9.313 -10.460 217 HB2 LYS 49 1HB LYS 49 0.311 -10.960 -11.614 218 HB3 LYS 49 2HB LYS 49 -0.136 -12.181 -10.411 219 HG2 LYS 49 1HG LYS 49 -2.532 -11.938 -11.088 220 HG3 LYS 49 2HG LYS 49 -2.067 -10.738 -12.298 221 HD2 LYS 49 1HD LYS 49 -1.143 -13.647 -12.238 222 HD3 LYS 49 2HD LYS 49 -2.463 -13.010 -13.230 223 HE2 LYS 49 1HE LYS 49 -0.859 -11.465 -14.362 224 HE3 LYS 49 2HE LYS 49 0.463 -12.156 -13.412 225 HZ1 LYS 49 3HZ LYS 49 0.313 -13.189 -15.594 226 HZ2 LYS 49 1HZ LYS 49 -0.005 -14.307 -14.448 227 HZ3 LYS 49 2HZ LYS 49 -1.226 -13.666 -15.329 228 H THR 50 H THR 50 -0.362 -11.552 -7.785 229 HA THR 50 HA THR 50 -2.988 -12.317 -6.997 230 HB THR 50 HB THR 50 -0.716 -11.804 -5.059 231 HG1 THR 50 1HG THR 50 -0.986 -14.071 -6.737 232 HG21 THR 50 3HG2 THR 50 -1.560 -13.870 -3.988 233 HG22 THR 50 1HG2 THR 50 -2.812 -12.623 -4.073 234 HG23 THR 50 2HG2 THR 50 -2.843 -13.983 -5.214 235 H LEU 51 H LEU 51 -0.955 -9.545 -5.984 236 HA LEU 51 HA LEU 51 -2.991 -8.472 -4.256 237 HB2 LEU 51 1HB LEU 51 -0.489 -8.126 -4.030 238 HB3 LEU 51 2HB LEU 51 -0.537 -7.136 -5.486 239 HG LEU 51 HG LEU 51 -2.112 -5.551 -4.280 240 HD11 LEU 51 1HD1 LEU 51 -3.020 -7.056 -2.563 241 HD12 LEU 51 2HD1 LEU 51 -1.395 -7.267 -1.869 242 HD13 LEU 51 3HD1 LEU 51 -2.202 -5.681 -1.819 243 HD21 LEU 51 3HD2 LEU 51 -0.323 -4.554 -2.874 244 HD22 LEU 51 1HD2 LEU 51 0.621 -6.048 -3.040 245 HD23 LEU 51 2HD2 LEU 51 0.249 -5.056 -4.472 246 H HIS 52 H HIS 52 -2.147 -7.777 -7.659 247 HA HIS 52 HA HIS 52 -3.961 -5.589 -7.998 248 HB2 HIS 52 1HB HIS 52 -2.226 -6.238 -9.652 249 HB3 HIS 52 2HB HIS 52 -3.069 -7.745 -9.960 250 HD2 HIS 52 2HD HIS 52 -3.314 -3.966 -10.708 251 HE1 HIS 52 1HE HIS 52 -6.230 -5.918 -13.118 252 HE2 HIS 52 2HE HIS 52 -5.038 -3.712 -12.674 253 H GLU 53 H GLU 53 -4.432 -9.118 -8.141 254 HA GLU 53 HA GLU 53 -7.115 -9.066 -9.171 255 HB2 GLU 53 1HB GLU 53 -5.399 -11.137 -7.790 256 HB3 GLU 53 2HB GLU 53 -7.114 -11.455 -8.098 257 HG2 GLU 53 1HG GLU 53 -6.780 -10.992 -10.509 258 HG3 GLU 53 2HG GLU 53 -5.058 -10.757 -10.235 259 H TYR 54 H TYR 54 -5.877 -9.152 -5.778 260 HA TYR 54 HA TYR 54 -8.477 -9.454 -4.614 261 HB2 TYR 54 1HB TYR 54 -6.283 -9.905 -3.482 262 HB3 TYR 54 2HB TYR 54 -6.027 -8.168 -3.352 263 HD1 TYR 54 1HD TYR 54 -8.116 -11.036 -2.273 264 HD2 TYR 54 2HD TYR 54 -7.338 -6.828 -1.735 265 HE1 TYR 54 1HE TYR 54 -9.652 -11.003 -0.316 266 HE2 TYR 54 2HE TYR 54 -8.873 -6.789 0.216 267 HH TYR 54 HH TYR 54 -10.386 -7.998 1.491 268 H PHE 55 H PHE 55 -6.777 -6.559 -5.738 269 HA PHE 55 HA PHE 55 -8.626 -4.778 -4.345 270 HB2 PHE 55 1HB PHE 55 -6.105 -4.400 -5.938 271 HB3 PHE 55 2HB PHE 55 -7.171 -3.034 -5.673 272 HD1 PHE 55 1HD PHE 55 -5.618 -5.830 -3.634 273 HD2 PHE 55 2HD PHE 55 -6.796 -1.686 -3.809 274 HE1 PHE 55 1HE PHE 55 -4.772 -5.492 -1.341 275 HE2 PHE 55 2HE PHE 55 -5.926 -1.354 -1.509 276 HZ PHE 55 HZ PHE 55 -4.964 -3.264 -0.251 277 H GLU 56 H GLU 56 -8.951 -6.372 -7.324 278 HA GLU 56 HA GLU 56 -10.152 -4.281 -8.862 279 HB2 GLU 56 1HB GLU 56 -10.687 -7.273 -8.988 280 HB3 GLU 56 2HB GLU 56 -11.176 -6.069 -10.192 281 HG2 GLU 56 1HG GLU 56 -8.715 -5.483 -10.432 282 HG3 GLU 56 2HG GLU 56 -8.376 -6.960 -9.516 283 H GLN 57 H GLN 57 -11.406 -5.976 -6.138 284 HA GLN 57 HA GLN 57 -14.233 -5.591 -6.676 285 HB2 GLN 57 1HB GLN 57 -14.585 -6.379 -4.456 286 HB3 GLN 57 2HB GLN 57 -13.271 -7.333 -5.143 287 HG2 GLN 57 1HG GLN 57 -11.644 -5.780 -3.912 288 HG3 GLN 57 2HG GLN 57 -13.043 -5.055 -3.127 289 HE21 GLN 57 2HE2 GLN 57 -10.704 -7.490 -2.804 290 HE22 GLN 57 1HE2 GLN 57 -11.527 -8.412 -1.548 291 H PHE 58 H PHE 58 -11.742 -3.424 -5.616 292 HA PHE 58 HA PHE 58 -13.596 -1.607 -4.218 293 HB2 PHE 58 1HB PHE 58 -10.622 -1.368 -4.731 294 HB3 PHE 58 2HB PHE 58 -11.581 -0.400 -3.625 295 HD1 PHE 58 1HD PHE 58 -13.157 -2.199 -2.025 296 HD2 PHE 58 2HD PHE 58 -9.163 -2.733 -3.551 297 HE1 PHE 58 1HE PHE 58 -12.660 -3.782 -0.182 298 HE2 PHE 58 2HE PHE 58 -8.669 -4.327 -1.711 299 HZ PHE 58 HZ PHE 58 -10.423 -4.854 -0.023 300 H GLY 59 H GLY 59 -12.314 -1.957 -7.406 301 HA2 GLY 59 1HA GLY 59 -13.617 -0.361 -8.979 302 HA3 GLY 59 2HA GLY 59 -12.801 0.917 -8.088 303 H ASP 60 H ASP 60 -11.584 1.731 -9.708 304 HA ASP 60 HA ASP 60 -10.229 -0.025 -11.645 305 HB2 ASP 60 1HB ASP 60 -10.568 2.987 -11.437 306 HB3 ASP 60 2HB ASP 60 -9.639 2.180 -12.703 307 H ILE 61 H ILE 61 -8.175 -0.615 -11.593 308 HA ILE 61 HA ILE 61 -6.320 0.547 -9.564 309 HB ILE 61 HB ILE 61 -6.049 -2.027 -11.129 310 HG12 ILE 61 1HG1 ILE 61 -6.986 -1.703 -8.238 311 HG13 ILE 61 2HG1 ILE 61 -8.072 -2.024 -9.590 312 HG21 ILE 61 1HG2 ILE 61 -3.903 -1.158 -10.332 313 HG22 ILE 61 2HG2 ILE 61 -4.579 -0.852 -8.715 314 HG23 ILE 61 3HG2 ILE 61 -4.347 -2.505 -9.298 315 HD11 ILE 61 3HD1 ILE 61 -7.674 -4.108 -8.599 316 HD12 ILE 61 1HD1 ILE 61 -6.766 -4.110 -10.101 317 HD13 ILE 61 2HD1 ILE 61 -5.921 -3.875 -8.547 318 H GLU 62 H GLU 62 -4.558 1.669 -10.135 319 HA GLU 62 HA GLU 62 -4.040 2.323 -12.969 320 HB2 GLU 62 1HB GLU 62 -4.258 3.962 -10.985 321 HB3 GLU 62 2HB GLU 62 -2.669 3.420 -10.481 322 HG2 GLU 62 1HG GLU 62 -3.353 4.662 -13.178 323 HG3 GLU 62 2HG GLU 62 -2.747 5.548 -11.780 324 H GLU 63 H GLU 63 -2.382 0.935 -10.106 325 HA GLU 63 HA GLU 63 -0.730 -0.862 -11.658 326 HB2 GLU 63 1HB GLU 63 0.526 1.280 -11.924 327 HB3 GLU 63 2HB GLU 63 0.616 1.443 -10.166 328 HG2 GLU 63 1HG GLU 63 2.032 -0.534 -10.011 329 HG3 GLU 63 2HG GLU 63 1.763 -0.918 -11.716 330 H ALA 64 H ALA 64 0.334 -2.413 -10.252 331 HA ALA 64 HA ALA 64 0.059 -2.149 -7.348 332 HB1 ALA 64 1HB ALA 64 -2.090 -3.188 -7.998 333 HB2 ALA 64 2HB ALA 64 -1.209 -4.444 -8.892 334 HB3 ALA 64 3HB ALA 64 -1.074 -4.355 -7.125 335 H VAL 65 H VAL 65 1.561 -3.358 -6.223 336 HA VAL 65 HA VAL 65 3.490 -5.121 -7.629 337 HB VAL 65 HB VAL 65 5.429 -3.802 -6.849 338 HG11 VAL 65 1HG1 VAL 65 4.652 -3.586 -9.194 339 HG12 VAL 65 2HG1 VAL 65 3.720 -2.140 -8.731 340 HG13 VAL 65 3HG1 VAL 65 5.486 -2.147 -8.589 341 HG21 VAL 65 3HG2 VAL 65 5.209 -1.431 -6.228 342 HG22 VAL 65 1HG2 VAL 65 3.443 -1.571 -6.235 343 HG23 VAL 65 2HG2 VAL 65 4.416 -2.470 -5.046 344 H VAL 66 H VAL 66 4.958 -6.214 -6.210 345 HA VAL 66 HA VAL 66 4.460 -5.988 -3.278 346 HB VAL 66 HB VAL 66 4.840 -8.598 -4.800 347 HG11 VAL 66 1HG1 VAL 66 6.099 -8.694 -2.681 348 HG12 VAL 66 2HG1 VAL 66 4.696 -8.055 -1.792 349 HG13 VAL 66 3HG1 VAL 66 4.632 -9.662 -2.535 350 HG21 VAL 66 3HG2 VAL 66 2.641 -9.186 -3.813 351 HG22 VAL 66 1HG2 VAL 66 2.527 -7.572 -3.083 352 HG23 VAL 66 2HG2 VAL 66 2.499 -7.761 -4.847 353 H ILE 67 H ILE 67 6.321 -5.919 -2.056 354 HA ILE 67 HA ILE 67 8.643 -5.046 -3.621 355 HB ILE 67 HB ILE 67 8.146 -4.959 -0.633 356 HG12 ILE 67 1HG1 ILE 67 6.460 -3.575 -1.520 357 HG13 ILE 67 2HG1 ILE 67 7.764 -2.498 -1.090 358 HG21 ILE 67 1HG2 ILE 67 10.505 -4.770 -1.138 359 HG22 ILE 67 2HG2 ILE 67 10.206 -3.527 -2.365 360 HG23 ILE 67 3HG2 ILE 67 9.899 -3.203 -0.640 361 HD11 ILE 67 3HD1 ILE 67 6.865 -1.714 -3.114 362 HD12 ILE 67 1HD1 ILE 67 8.449 -2.415 -3.513 363 HD13 ILE 67 2HD1 ILE 67 6.956 -3.308 -3.890 364 H THR 68 H THR 68 9.675 -6.691 -4.498 365 HA THR 68 HA THR 68 11.060 -8.696 -2.774 366 HB THR 68 HB THR 68 11.148 -10.045 -4.924 367 HG1 THR 68 1HG THR 68 9.477 -9.520 -6.413 368 HG21 THR 68 3HG2 THR 68 8.888 -10.948 -4.604 369 HG22 THR 68 1HG2 THR 68 9.654 -10.586 -3.051 370 HG23 THR 68 2HG2 THR 68 8.410 -9.492 -3.699 371 H ASP 69 H ASP 69 13.194 -8.556 -2.697 372 HA ASP 69 HA ASP 69 14.522 -6.389 -3.662 373 HB2 ASP 69 1HB ASP 69 15.333 -7.758 -1.866 374 HB3 ASP 69 2HB ASP 69 15.798 -9.019 -3.019 375 H ARG 70 H ARG 70 15.877 -5.685 -5.126 376 HA ARG 70 HA ARG 70 15.293 -6.553 -7.751 377 HB2 ARG 70 1HB ARG 70 16.963 -4.395 -6.505 378 HB3 ARG 70 2HB ARG 70 17.130 -4.698 -8.228 379 HG2 ARG 70 1HG ARG 70 15.442 -2.941 -7.568 380 HG3 ARG 70 2HG ARG 70 14.931 -4.185 -8.724 381 HD2 ARG 70 1HD ARG 70 13.664 -5.327 -6.947 382 HD3 ARG 70 2HD ARG 70 14.175 -4.085 -5.791 383 HE ARG 70 HE ARG 70 13.037 -2.508 -7.574 384 HH11 ARG 70 1HH1 ARG 70 11.715 -5.621 -6.436 385 HH12 ARG 70 2HH1 ARG 70 10.121 -5.218 -7.002 386 HH21 ARG 70 1HH2 ARG 70 10.943 -2.064 -8.188 387 HH22 ARG 70 2HH2 ARG 70 9.682 -3.231 -7.928 388 H ASN 71 H ASN 71 17.774 -7.510 -5.644 389 HA ASN 71 HA ASN 71 19.327 -8.886 -7.816 390 HB2 ASN 71 1HB ASN 71 20.276 -7.963 -5.076 391 HB3 ASN 71 2HB ASN 71 21.255 -8.773 -6.294 392 HD21 ASN 71 2HD2 ASN 71 20.227 -5.717 -5.139 393 HD22 ASN 71 1HD2 ASN 71 20.815 -4.767 -6.493 394 H THR 72 H THR 72 17.691 -9.412 -4.722 395 HA THR 72 HA THR 72 18.314 -12.351 -4.865 396 HB THR 72 HB THR 72 17.928 -12.335 -2.355 397 HG1 THR 72 1HG THR 72 18.218 -9.541 -2.767 398 HG21 THR 72 3HG2 THR 72 20.153 -11.491 -1.832 399 HG22 THR 72 1HG2 THR 72 20.204 -12.398 -3.357 400 HG23 THR 72 2HG2 THR 72 20.233 -10.617 -3.377 401 H GLN 73 H GLN 73 15.686 -10.214 -5.075 402 HA GLN 73 HA GLN 73 13.458 -10.449 -5.143 403 HB2 GLN 73 1HB GLN 73 14.343 -13.215 -6.022 404 HB3 GLN 73 2HB GLN 73 12.653 -12.737 -6.043 405 HG2 GLN 73 1HG GLN 73 14.798 -11.111 -7.469 406 HG3 GLN 73 2HG GLN 73 13.928 -12.444 -8.221 407 HE21 GLN 73 2HE2 GLN 73 13.590 -9.085 -7.068 408 HE22 GLN 73 1HE2 GLN 73 11.953 -8.891 -7.675 409 H LYS 74 H LYS 74 14.858 -11.377 -2.469 410 HA LYS 74 HA LYS 74 12.851 -12.992 -1.230 411 HB2 LYS 74 1HB LYS 74 14.147 -12.950 0.611 412 HB3 LYS 74 2HB LYS 74 15.330 -12.557 -0.610 413 HG2 LYS 74 1HG LYS 74 14.072 -10.654 1.391 414 HG3 LYS 74 2HG LYS 74 15.728 -11.276 1.341 415 HD2 LYS 74 1HD LYS 74 15.734 -10.139 -1.059 416 HD3 LYS 74 2HD LYS 74 14.429 -9.180 -0.374 417 HE2 LYS 74 1HE LYS 74 16.373 -7.896 -0.082 418 HE3 LYS 74 2HE LYS 74 15.926 -8.517 1.499 419 HZ1 LYS 74 3HZ LYS 74 18.339 -8.743 0.976 420 HZ2 LYS 74 1HZ LYS 74 17.671 -10.212 1.237 421 HZ3 LYS 74 2HZ LYS 74 17.984 -9.720 -0.294 422 H SER 75 H SER 75 11.066 -12.514 0.072 423 HA SER 75 HA SER 75 9.748 -10.007 -0.696 424 HB2 SER 75 1HB SER 75 8.722 -12.377 0.902 425 HB3 SER 75 2HB SER 75 7.746 -11.068 0.212 426 HG SER 75 HG SER 75 7.818 -12.992 -1.115 427 H ARG 76 H ARG 76 9.483 -8.205 0.536 428 HA ARG 76 HA ARG 76 10.404 -8.119 3.306 429 HB2 ARG 76 1HB ARG 76 9.042 -6.088 1.505 430 HB3 ARG 76 2HB ARG 76 9.502 -5.758 3.169 431 HG2 ARG 76 1HG ARG 76 11.778 -6.876 1.705 432 HG3 ARG 76 2HG ARG 76 11.097 -5.455 0.894 433 HD2 ARG 76 1HD ARG 76 11.293 -4.106 2.877 434 HD3 ARG 76 2HD ARG 76 11.871 -5.505 3.818 435 HE ARG 76 HE ARG 76 13.519 -4.994 1.483 436 HH11 ARG 76 1HH1 ARG 76 12.943 -3.746 4.749 437 HH12 ARG 76 2HH1 ARG 76 14.536 -3.060 4.863 438 HH21 ARG 76 1HH2 ARG 76 15.524 -4.057 1.677 439 HH22 ARG 76 2HH2 ARG 76 15.987 -3.245 3.150 440 H GLY 77 H GLY 77 7.428 -9.131 2.034 441 HA2 GLY 77 1HA GLY 77 5.511 -9.824 3.223 442 HA3 GLY 77 2HA GLY 77 6.035 -8.887 4.642 443 H TYR 78 H TYR 78 6.268 -6.847 1.980 444 HA TYR 78 HA TYR 78 3.436 -6.057 1.988 445 HB2 TYR 78 1HB TYR 78 3.899 -3.787 2.513 446 HB3 TYR 78 2HB TYR 78 4.673 -4.756 3.749 447 HD1 TYR 78 1HD TYR 78 5.183 -2.443 0.929 448 HD2 TYR 78 2HD TYR 78 7.103 -4.838 3.954 449 HE1 TYR 78 1HE TYR 78 7.265 -1.107 0.670 450 HE2 TYR 78 2HE TYR 78 9.202 -3.533 3.637 451 HH TYR 78 HH TYR 78 9.499 -0.893 1.262 452 H GLY 79 H GLY 79 2.841 -4.487 0.492 453 HA2 GLY 79 1HA GLY 79 4.413 -4.110 -2.001 454 HA3 GLY 79 2HA GLY 79 2.831 -4.880 -2.073 455 H PHE 80 H PHE 80 2.667 -2.940 -3.516 456 HA PHE 80 HA PHE 80 1.171 -0.838 -2.079 457 HB2 PHE 80 1HB PHE 80 3.444 -0.373 -4.023 458 HB3 PHE 80 2HB PHE 80 2.109 0.752 -3.958 459 HD1 PHE 80 1HD PHE 80 4.901 -0.692 -1.948 460 HD2 PHE 80 2HD PHE 80 1.845 2.340 -2.212 461 HE1 PHE 80 1HE PHE 80 5.947 0.546 -0.065 462 HE2 PHE 80 2HE PHE 80 2.910 3.576 -0.339 463 HZ PHE 80 HZ PHE 80 4.961 2.678 0.735 464 H VAL 81 H VAL 81 -0.495 0.050 -3.203 465 HA VAL 81 HA VAL 81 -1.088 -0.872 -5.979 466 HB VAL 81 HB VAL 81 -3.192 -0.794 -3.768 467 HG11 VAL 81 1HG1 VAL 81 -4.107 -0.223 -5.983 468 HG12 VAL 81 2HG1 VAL 81 -3.348 -1.663 -6.692 469 HG13 VAL 81 3HG1 VAL 81 -4.656 -1.830 -5.506 470 HG21 VAL 81 3HG2 VAL 81 -3.359 -3.265 -4.095 471 HG22 VAL 81 1HG2 VAL 81 -1.912 -3.206 -5.122 472 HG23 VAL 81 2HG2 VAL 81 -1.818 -2.771 -3.399 473 H THR 82 H THR 82 -1.785 0.812 -7.251 474 HA THR 82 HA THR 82 -2.631 3.366 -5.913 475 HB THR 82 HB THR 82 -1.174 3.101 -8.569 476 HG1 THR 82 1HG THR 82 0.525 4.005 -7.390 477 HG21 THR 82 3HG2 THR 82 -1.007 5.579 -8.378 478 HG22 THR 82 1HG2 THR 82 -2.693 5.064 -8.490 479 HG23 THR 82 2HG2 THR 82 -2.018 5.539 -6.916 480 H MET 83 H MET 83 -4.581 4.060 -6.422 481 HA MET 83 HA MET 83 -6.201 2.492 -8.386 482 HB2 MET 83 1HB MET 83 -7.123 4.355 -6.181 483 HB3 MET 83 2HB MET 83 -8.132 3.297 -7.151 484 HG2 MET 83 1HG MET 83 -6.000 2.439 -5.157 485 HG3 MET 83 2HG MET 83 -7.733 2.367 -4.914 486 HE1 MET 83 3HE MET 83 -8.970 -0.552 -7.033 487 HE2 MET 83 1HE MET 83 -9.329 0.672 -5.790 488 HE3 MET 83 2HE MET 83 -8.982 1.172 -7.459 489 H LYS 84 H LYS 84 -7.456 3.522 -9.989 490 HA LYS 84 HA LYS 84 -6.183 5.843 -11.170 491 HB2 LYS 84 1HB LYS 84 -8.716 4.311 -11.865 492 HB3 LYS 84 2HB LYS 84 -8.117 5.674 -12.799 493 HG2 LYS 84 1HG LYS 84 -5.895 4.355 -13.010 494 HG3 LYS 84 2HG LYS 84 -6.836 2.951 -12.467 495 HD2 LYS 84 1HD LYS 84 -8.429 3.326 -14.376 496 HD3 LYS 84 2HD LYS 84 -7.502 4.747 -14.843 497 HE2 LYS 84 1HE LYS 84 -6.764 3.148 -16.340 498 HE3 LYS 84 2HE LYS 84 -5.473 3.217 -15.142 499 HZ1 LYS 84 3HZ LYS 84 -6.099 0.935 -15.747 500 HZ2 LYS 84 1HZ LYS 84 -6.366 1.175 -14.159 501 HZ3 LYS 84 2HZ LYS 84 -7.626 1.162 -15.216 502 H ASP 85 H ASP 85 -8.732 5.661 -8.852 503 HA ASP 85 HA ASP 85 -9.049 8.577 -8.930 504 HB2 ASP 85 1HB ASP 85 -10.749 7.639 -10.551 505 HB3 ASP 85 2HB ASP 85 -11.487 6.775 -9.200 506 H ARG 86 H ARG 86 -9.948 9.486 -7.117 507 HA ARG 86 HA ARG 86 -9.267 8.326 -4.633 508 HB2 ARG 86 1HB ARG 86 -11.135 10.661 -5.248 509 HB3 ARG 86 2HB ARG 86 -10.471 10.261 -3.655 510 HG2 ARG 86 1HG ARG 86 -8.177 10.617 -4.499 511 HG3 ARG 86 2HG ARG 86 -8.801 10.996 -6.101 512 HD2 ARG 86 1HD ARG 86 -8.222 13.033 -4.944 513 HD3 ARG 86 2HD ARG 86 -9.958 12.981 -5.240 514 HE ARG 86 HE ARG 86 -9.567 11.928 -2.659 515 HH11 ARG 86 1HH1 ARG 86 -8.982 15.035 -4.238 516 HH12 ARG 86 2HH1 ARG 86 -9.050 15.925 -2.759 517 HH21 ARG 86 1HH2 ARG 86 -9.667 13.139 -0.746 518 HH22 ARG 86 2HH2 ARG 86 -9.497 14.863 -0.815 519 H ALA 87 H ALA 87 -12.383 8.269 -6.391 520 HA ALA 87 HA ALA 87 -13.936 7.281 -4.144 521 HB1 ALA 87 1HB ALA 87 -14.917 8.509 -6.058 522 HB2 ALA 87 2HB ALA 87 -14.478 7.169 -7.145 523 HB3 ALA 87 3HB ALA 87 -15.664 6.913 -5.849 524 H SER 88 H SER 88 -11.861 5.687 -6.516 525 HA SER 88 HA SER 88 -12.762 2.966 -5.721 526 HB2 SER 88 1HB SER 88 -10.375 3.874 -7.376 527 HB3 SER 88 2HB SER 88 -10.893 2.204 -7.106 528 HG SER 88 HG SER 88 -12.482 4.213 -8.380 529 H ALA 89 H ALA 89 -10.102 5.253 -5.031 530 HA ALA 89 HA ALA 89 -8.577 3.519 -3.356 531 HB1 ALA 89 1HB ALA 89 -7.803 5.650 -4.461 532 HB2 ALA 89 2HB ALA 89 -8.757 6.553 -3.268 533 HB3 ALA 89 3HB ALA 89 -7.406 5.537 -2.734 534 H GLU 90 H GLU 90 -11.247 5.807 -2.479 535 HA GLU 90 HA GLU 90 -10.937 5.414 0.297 536 HB2 GLU 90 1HB GLU 90 -12.976 6.364 0.677 537 HB3 GLU 90 2HB GLU 90 -12.298 7.209 -0.717 538 HG2 GLU 90 1HG GLU 90 -13.849 6.206 -2.202 539 HG3 GLU 90 2HG GLU 90 -14.364 5.012 -1.011 540 H ARG 91 H ARG 91 -12.882 3.572 -2.017 541 HA ARG 91 HA ARG 91 -13.991 1.700 -0.170 542 HB2 ARG 91 1HB ARG 91 -13.447 1.474 -3.147 543 HB3 ARG 91 2HB ARG 91 -14.271 0.233 -2.188 544 HG2 ARG 91 1HG ARG 91 -15.926 2.004 -1.429 545 HG3 ARG 91 2HG ARG 91 -15.166 3.125 -2.563 546 HD2 ARG 91 1HD ARG 91 -17.126 2.213 -3.581 547 HD3 ARG 91 2HD ARG 91 -15.715 1.572 -4.433 548 HE ARG 91 HE ARG 91 -17.255 0.074 -2.318 549 HH11 ARG 91 1HH1 ARG 91 -15.696 -0.039 -5.506 550 HH12 ARG 91 2HH1 ARG 91 -15.786 -1.790 -5.542 551 HH21 ARG 91 1HH2 ARG 91 -17.356 -2.172 -2.524 552 HH22 ARG 91 2HH2 ARG 91 -16.691 -2.927 -3.949 553 H ALA 92 H ALA 92 -10.870 1.701 -1.882 554 HA ALA 92 HA ALA 92 -10.079 -0.943 -1.006 555 HB1 ALA 92 1HB ALA 92 -9.180 0.128 -3.032 556 HB2 ALA 92 2HB ALA 92 -8.487 1.432 -2.054 557 HB3 ALA 92 3HB ALA 92 -7.880 -0.229 -1.884 558 H CYS 93 H CYS 93 -9.522 2.326 0.388 559 HA CYS 93 HA CYS 93 -7.965 1.167 2.591 560 HB2 CYS 93 1HB CYS 93 -7.508 3.379 3.231 561 HB3 CYS 93 2HB CYS 93 -7.562 3.429 1.459 562 HG CYS 93 HG CYS 93 -10.295 4.022 1.561 563 H LYS 94 H LYS 94 -11.277 1.346 2.068 564 HA LYS 94 HA LYS 94 -12.328 2.129 4.535 565 HB2 LYS 94 1HB LYS 94 -13.317 1.277 2.056 566 HB3 LYS 94 2HB LYS 94 -13.852 0.007 3.126 567 HG2 LYS 94 1HG LYS 94 -15.621 1.534 3.100 568 HG3 LYS 94 2HG LYS 94 -14.808 1.890 4.629 569 HD2 LYS 94 1HD LYS 94 -13.645 3.821 3.516 570 HD3 LYS 94 2HD LYS 94 -14.484 3.426 2.002 571 HE2 LYS 94 1HE LYS 94 -16.672 3.783 3.097 572 HE3 LYS 94 2HE LYS 94 -15.858 4.163 4.620 573 HZ1 LYS 94 3HZ LYS 94 -16.454 6.179 3.454 574 HZ2 LYS 94 1HZ LYS 94 -14.826 6.075 3.489 575 HZ3 LYS 94 2HZ LYS 94 -15.648 5.758 2.104 576 H ASP 95 H ASP 95 -10.707 -0.819 3.912 577 HA ASP 95 HA ASP 95 -11.340 -1.809 6.654 578 HB2 ASP 95 1HB ASP 95 -12.554 -3.182 5.041 579 HB3 ASP 95 2HB ASP 95 -11.066 -3.508 4.155 580 HA PRO 96 HA PRO 96 -6.844 -1.287 6.364 581 HB2 PRO 96 1HB PRO 96 -6.204 -1.201 9.004 582 HB3 PRO 96 2HB PRO 96 -7.065 0.136 8.180 583 HG2 PRO 96 1HG PRO 96 -8.271 -2.118 9.823 584 HG3 PRO 96 2HG PRO 96 -8.579 -0.358 9.970 585 HD2 PRO 96 1HD PRO 96 -10.212 -2.019 8.540 586 HD3 PRO 96 2HD PRO 96 -9.900 -0.335 8.019 587 H ASN 97 H ASN 97 -8.543 -4.042 7.706 588 HA ASN 97 HA ASN 97 -6.064 -5.685 7.542 589 HB2 ASN 97 1HB ASN 97 -8.097 -5.893 9.787 590 HB3 ASN 97 2HB ASN 97 -6.692 -6.906 9.543 591 HD21 ASN 97 2HD2 ASN 97 -4.493 -5.513 9.369 592 HD22 ASN 97 1HD2 ASN 97 -4.367 -4.400 10.725 593 HA PRO 98 HA PRO 98 -9.658 -7.419 5.165 594 HB2 PRO 98 1HB PRO 98 -8.495 -7.618 2.688 595 HB3 PRO 98 2HB PRO 98 -9.247 -6.119 3.327 596 HG2 PRO 98 1HG PRO 98 -6.323 -6.905 3.282 597 HG3 PRO 98 2HG PRO 98 -7.071 -5.346 2.825 598 HD2 PRO 98 1HD PRO 98 -5.915 -5.800 5.271 599 HD3 PRO 98 2HD PRO 98 -7.324 -4.734 5.075 600 H ILE 99 H ILE 99 -6.540 -8.726 5.788 601 HA ILE 99 HA ILE 99 -5.686 -10.842 5.919 602 HB ILE 99 HB ILE 99 -8.418 -12.035 5.611 603 HG12 ILE 99 1HG1 ILE 99 -8.872 -10.293 7.181 604 HG13 ILE 99 2HG1 ILE 99 -8.808 -11.826 8.025 605 HG21 ILE 99 1HG2 ILE 99 -6.524 -13.595 5.774 606 HG22 ILE 99 2HG2 ILE 99 -5.968 -12.810 7.259 607 HG23 ILE 99 3HG2 ILE 99 -7.514 -13.681 7.231 608 HD11 ILE 99 3HD1 ILE 99 -7.762 -10.095 9.359 609 HD12 ILE 99 1HD1 ILE 99 -6.506 -11.237 8.848 610 HD13 ILE 99 2HD1 ILE 99 -6.681 -9.651 8.036 611 H ILE 100 H ILE 100 -4.897 -10.048 3.753 612 HA ILE 100 HA ILE 100 -6.031 -11.224 1.334 613 HB ILE 100 HB ILE 100 -3.463 -9.692 1.832 614 HG12 ILE 100 1HG1 ILE 100 -5.954 -8.861 0.288 615 HG13 ILE 100 2HG1 ILE 100 -5.803 -8.580 2.009 616 HG21 ILE 100 1HG2 ILE 100 -3.086 -11.148 -0.122 617 HG22 ILE 100 2HG2 ILE 100 -4.645 -10.659 -0.821 618 HG23 ILE 100 3HG2 ILE 100 -3.314 -9.498 -0.678 619 HD11 ILE 100 3HD1 ILE 100 -5.190 -6.564 0.838 620 HD12 ILE 100 1HD1 ILE 100 -3.749 -7.229 1.629 621 HD13 ILE 100 2HD1 ILE 100 -3.974 -7.422 -0.124 622 H ASP 101 H ASP 101 -5.848 -13.195 0.737 623 HA ASP 101 HA ASP 101 -5.218 -15.274 0.348 624 HB2 ASP 101 1HB ASP 101 -3.341 -13.757 -0.773 625 HB3 ASP 101 2HB ASP 101 -2.294 -14.568 0.377 626 H GLY 102 H GLY 102 -5.239 -14.403 3.244 627 HA2 GLY 102 1HA GLY 102 -5.582 -15.965 4.980 628 HA3 GLY 102 2HA GLY 102 -4.368 -17.054 4.287 629 H ARG 103 H ARG 103 -3.821 -13.587 4.997 630 HA ARG 103 HA ARG 103 -2.710 -14.120 7.640 631 HB2 ARG 103 1HB ARG 103 -0.832 -14.669 5.993 632 HB3 ARG 103 2HB ARG 103 -0.801 -12.973 5.541 633 HG2 ARG 103 1HG ARG 103 -0.572 -13.660 8.474 634 HG3 ARG 103 2HG ARG 103 0.776 -14.096 7.431 635 HD2 ARG 103 1HD ARG 103 1.109 -11.799 6.734 636 HD3 ARG 103 2HD ARG 103 -0.309 -11.269 7.642 637 HE ARG 103 HE ARG 103 2.321 -12.121 8.756 638 HH11 ARG 103 1HH1 ARG 103 -0.631 -10.380 9.427 639 HH12 ARG 103 2HH1 ARG 103 -0.393 -10.452 11.144 640 HH21 ARG 103 1HH2 ARG 103 2.622 -12.196 10.933 641 HH22 ARG 103 2HH2 ARG 103 1.494 -11.434 11.993 642 H LYS 104 H LYS 104 -2.761 -12.265 8.942 643 HA LYS 104 HA LYS 104 -4.539 -10.239 8.056 644 HB2 LYS 104 1HB LYS 104 -4.389 -10.874 10.390 645 HB3 LYS 104 2HB LYS 104 -2.748 -10.231 10.507 646 HG2 LYS 104 1HG LYS 104 -3.570 -7.954 9.983 647 HG3 LYS 104 2HG LYS 104 -5.217 -8.566 9.810 648 HD2 LYS 104 1HD LYS 104 -3.588 -8.757 12.381 649 HD3 LYS 104 2HD LYS 104 -4.660 -7.403 11.989 650 HE2 LYS 104 1HE LYS 104 -6.590 -8.906 11.818 651 HE3 LYS 104 2HE LYS 104 -5.565 -10.311 12.156 652 HZ1 LYS 104 3HZ LYS 104 -6.705 -9.551 14.153 653 HZ2 LYS 104 1HZ LYS 104 -5.096 -9.358 14.345 654 HZ3 LYS 104 2HZ LYS 104 -6.045 -8.062 14.036 655 H ALA 105 H ALA 105 -4.214 -8.826 6.581 656 HA ALA 105 HA ALA 105 -1.622 -7.609 5.998 657 HB1 ALA 105 1HB ALA 105 -3.022 -8.424 4.174 658 HB2 ALA 105 2HB ALA 105 -4.354 -7.356 4.678 659 HB3 ALA 105 3HB ALA 105 -2.841 -6.669 4.059 660 H ASN 106 H ASN 106 -1.700 -5.216 5.491 661 HA ASN 106 HA ASN 106 -3.126 -3.592 7.532 662 HB2 ASN 106 1HB ASN 106 -1.001 -4.372 8.506 663 HB3 ASN 106 2HB ASN 106 -0.141 -3.789 7.070 664 HD21 ASN 106 2HD2 ASN 106 -2.652 -2.238 9.188 665 HD22 ASN 106 1HD2 ASN 106 -1.651 -0.840 9.532 666 H VAL 107 H VAL 107 -4.290 -2.465 6.094 667 HA VAL 107 HA VAL 107 -3.019 -1.347 3.629 668 HB VAL 107 HB VAL 107 -5.941 -1.872 4.291 669 HG11 VAL 107 1HG1 VAL 107 -5.767 0.030 2.715 670 HG12 VAL 107 2HG1 VAL 107 -4.638 -0.906 1.708 671 HG13 VAL 107 3HG1 VAL 107 -6.329 -1.410 1.861 672 HG21 VAL 107 3HG2 VAL 107 -5.747 -3.607 2.516 673 HG22 VAL 107 1HG2 VAL 107 -4.018 -3.276 2.401 674 HG23 VAL 107 2HG2 VAL 107 -4.694 -3.965 3.896 675 H ASN 108 H ASN 108 -2.739 0.783 3.405 676 HA ASN 108 HA ASN 108 -4.746 2.642 4.282 677 HB2 ASN 108 1HB ASN 108 -3.451 4.066 5.725 678 HB3 ASN 108 2HB ASN 108 -3.571 2.469 6.414 679 HD21 ASN 108 2HD2 ASN 108 -1.742 2.536 7.736 680 HD22 ASN 108 1HD2 ASN 108 -0.121 2.840 7.119 681 H LEU 109 H LEU 109 -4.380 4.863 3.595 682 HA LEU 109 HA LEU 109 -3.098 5.150 1.000 683 HB2 LEU 109 1HB LEU 109 -4.373 7.052 3.001 684 HB3 LEU 109 2HB LEU 109 -3.620 7.630 1.519 685 HG LEU 109 HG LEU 109 -5.840 5.545 1.467 686 HD11 LEU 109 1HD1 LEU 109 -6.708 7.543 2.613 687 HD12 LEU 109 2HD1 LEU 109 -6.120 8.576 1.294 688 HD13 LEU 109 3HD1 LEU 109 -7.408 7.390 0.994 689 HD21 LEU 109 3HD2 LEU 109 -6.124 6.416 -0.858 690 HD22 LEU 109 1HD2 LEU 109 -4.734 7.498 -0.602 691 HD23 LEU 109 2HD2 LEU 109 -4.508 5.743 -0.609 692 H ALA 110 H ALA 110 -1.022 5.267 0.739 693 HA ALA 110 HA ALA 110 1.032 4.747 2.157 694 HB1 ALA 110 1HB ALA 110 1.172 5.403 -0.180 695 HB2 ALA 110 2HB ALA 110 1.074 7.122 0.248 696 HB3 ALA 110 3HB ALA 110 2.486 6.157 0.742 697 H TYR 111 H TYR 111 0.941 8.357 2.049 698 HA TYR 111 HA TYR 111 2.661 9.152 3.755 699 HB2 TYR 111 1HB TYR 111 1.544 11.174 3.856 700 HB3 TYR 111 2HB TYR 111 1.023 10.417 2.376 701 HD1 TYR 111 1HD TYR 111 -1.302 9.064 2.519 702 HD2 TYR 111 2HD TYR 111 -0.036 12.076 5.335 703 HE1 TYR 111 1HE TYR 111 -3.646 9.328 3.301 704 HE2 TYR 111 2HE TYR 111 -2.392 12.410 6.039 705 HH TYR 111 HH TYR 111 -4.581 11.752 5.771 706 H LEU 112 H LEU 112 0.753 6.973 5.627 707 HA LEU 112 HA LEU 112 0.275 8.811 7.855 708 HB2 LEU 112 1HB LEU 112 -0.203 5.810 7.846 709 HB3 LEU 112 2HB LEU 112 -0.906 7.042 8.887 710 HG LEU 112 HG LEU 112 -1.493 6.406 6.000 711 HD11 LEU 112 1HD1 LEU 112 -2.775 5.212 7.742 712 HD12 LEU 112 2HD1 LEU 112 -3.343 6.776 8.379 713 HD13 LEU 112 3HD1 LEU 112 -3.797 6.276 6.735 714 HD21 LEU 112 3HD2 LEU 112 -3.077 8.351 5.972 715 HD22 LEU 112 1HD2 LEU 112 -2.307 8.951 7.462 716 HD23 LEU 112 2HD2 LEU 112 -1.381 8.809 5.948 717 H GLY 113 H GLY 113 1.855 5.591 7.883 718 HA2 GLY 113 1HA GLY 113 3.832 6.471 9.918 719 HA3 GLY 113 2HA GLY 113 3.572 4.821 9.290 720 H ALA 114 H ALA 114 3.878 7.552 7.119 721 HA ALA 114 HA ALA 114 5.746 6.120 5.558 722 HB1 ALA 114 1HB ALA 114 4.038 7.493 4.568 723 HB2 ALA 114 2HB ALA 114 4.731 8.968 5.305 724 HB3 ALA 114 3HB ALA 114 5.626 8.077 4.054 725 H LYS 115 H LYS 115 7.852 6.303 5.133 726 HA LYS 115 HA LYS 115 9.526 7.775 7.069 727 HB2 LYS 115 1HB LYS 115 10.238 5.576 5.089 728 HB3 LYS 115 2HB LYS 115 11.268 6.175 6.381 729 HG2 LYS 115 1HG LYS 115 8.677 4.604 6.693 730 HG3 LYS 115 2HG LYS 115 10.321 4.043 6.975 731 HD2 LYS 115 1HD LYS 115 10.547 5.608 8.892 732 HD3 LYS 115 2HD LYS 115 8.917 6.226 8.580 733 HE2 LYS 115 1HE LYS 115 8.751 4.666 10.384 734 HE3 LYS 115 2HE LYS 115 7.959 3.980 8.961 735 HZ1 LYS 115 3HZ LYS 115 9.328 2.343 10.063 736 HZ2 LYS 115 1HZ LYS 115 9.929 2.622 8.580 737 HZ3 LYS 115 2HZ LYS 115 10.683 3.259 9.904 738 HA PRO 116 HA PRO 116 11.084 10.636 4.047 739 HB2 PRO 116 1HB PRO 116 13.456 11.415 5.133 740 HB3 PRO 116 2HB PRO 116 11.879 11.812 5.880 741 HG2 PRO 116 1HG PRO 116 13.749 9.528 6.584 742 HG3 PRO 116 2HG PRO 116 12.970 10.702 7.695 743 HD2 PRO 116 1HD PRO 116 11.934 8.220 7.231 744 HD3 PRO 116 2HD PRO 116 10.874 9.635 7.496 745 H ARG 117 H ARG 117 12.516 10.840 2.325 746 HA ARG 117 HA ARG 117 14.688 8.912 1.834 747 HB2 ARG 117 1HB ARG 117 12.255 9.215 0.009 748 HB3 ARG 117 2HB ARG 117 13.744 8.401 -0.449 749 HG2 ARG 117 1HG ARG 117 11.875 7.488 1.776 750 HG3 ARG 117 2HG ARG 117 11.915 6.853 0.138 751 HD2 ARG 117 1HD ARG 117 14.203 6.040 0.435 752 HD3 ARG 117 2HD ARG 117 14.260 6.707 2.081 753 HE ARG 117 HE ARG 117 12.036 5.174 2.227 754 HH11 ARG 117 1HH1 ARG 117 15.205 4.141 0.948 755 HH12 ARG 117 2HH1 ARG 117 14.834 2.478 1.324 756 HH21 ARG 117 1HH2 ARG 117 11.715 3.219 2.669 757 HH22 ARG 117 2HH2 ARG 117 12.824 1.911 2.268 758 H THR 118 H THR 118 16.132 9.657 0.226 759 HA THR 118 HA THR 118 15.735 12.149 -1.216 760 HB THR 118 HB THR 118 16.173 13.129 0.946 761 HG1 THR 118 1HG THR 118 17.759 14.440 0.249 762 HG21 THR 118 3HG2 THR 118 18.326 12.859 2.111 763 HG22 THR 118 1HG2 THR 118 17.447 11.326 2.073 764 HG23 THR 118 2HG2 THR 118 18.815 11.591 0.969 765 H ASN 119 H ASN 119 17.304 12.589 -2.719 766 HA ASN 119 HA ASN 119 19.126 10.423 -3.512 767 HB2 ASN 119 1HB ASN 119 17.765 11.742 -5.134 768 HB3 ASN 119 2HB ASN 119 18.651 13.200 -4.677 769 HD21 ASN 119 2HD2 ASN 119 19.167 9.853 -5.974 770 HD22 ASN 119 1HD2 ASN 119 20.527 10.312 -6.983 771 H VAL 120 H VAL 120 19.270 13.033 -1.367 772 HA VAL 120 HA VAL 120 20.820 13.888 -0.017 773 HB VAL 120 HB VAL 120 23.014 12.242 -1.351 774 HG11 VAL 120 1HG1 VAL 120 23.913 14.158 -0.107 775 HG12 VAL 120 2HG1 VAL 120 22.915 13.737 1.303 776 HG13 VAL 120 3HG1 VAL 120 24.222 12.658 0.771 777 HG21 VAL 120 3HG2 VAL 120 22.763 10.742 0.610 778 HG22 VAL 120 1HG2 VAL 120 21.360 11.683 1.158 779 HG23 VAL 120 2HG2 VAL 120 21.285 10.756 -0.356 780 H GLN 121 H GLN 121 21.338 15.922 -0.133 781 HA GLN 121 HA GLN 121 23.036 17.159 -2.120 782 HB2 GLN 121 1HB GLN 121 21.334 18.626 -3.113 783 HB3 GLN 121 2HB GLN 121 21.069 16.936 -3.523 784 HG2 GLN 121 1HG GLN 121 19.256 16.797 -1.812 785 HG3 GLN 121 2HG GLN 121 19.553 18.480 -1.373 786 HE21 GLN 121 2HE2 GLN 121 17.783 19.658 -2.135 787 HE22 GLN 121 1HE2 GLN 121 17.131 19.483 -3.760 788 H5' G 7 H5' G 7 4.615 -9.512 13.327 789 H5'' G 7 H5" G 7 3.684 -9.884 11.872 790 H4' G 7 H4' G 7 5.625 -11.789 13.213 791 H3' G 7 H3' G 7 5.782 -10.025 10.753 792 H2' G 7 H2' G 7 7.042 -11.650 9.710 793 HO2' G 7 2HO G 7 8.685 -11.701 11.438 794 H1' G 7 H1' G 7 6.130 -13.718 11.588 795 H8 G 7 8H G 7 6.162 -15.676 10.095 796 H1 G 7 1H G 7 3.935 -12.411 5.009 797 H21 G 7 1H2 G 7 3.658 -10.341 5.531 798 H22 G 7 2H2 G 7 3.998 -9.749 7.163 799 HO5' G 7 H5T G 7 3.465 -11.156 14.439 800 H5' U 8 H5' U 8 7.310 -6.698 9.584 801 H5'' U 8 H5" U 8 8.218 -6.098 10.977 802 H4' U 8 H4' U 8 6.561 -4.469 10.292 803 H3' U 8 H3' U 8 6.633 -5.526 12.973 804 H2' U 8 H2' U 8 4.460 -6.211 12.918 805 HO2' U 8 2HO U 8 4.443 -3.459 13.414 806 H1' U 8 H1' U 8 3.810 -4.092 10.815 807 H3 U 8 3H U 8 -0.534 -5.642 11.463 808 H5 U 8 5H U 8 1.742 -9.139 11.492 809 H6 U 8 6H U 8 3.756 -7.799 11.087 810 H5' G 9 H5' G 9 8.547 -1.347 10.380 811 H5'' G 9 H5" G 9 7.080 -2.311 10.194 812 H4' G 9 H4' G 9 9.804 -2.961 8.967 813 H3' G 9 H3' G 9 7.294 -1.629 7.985 814 H2' G 9 H2' G 9 7.538 -2.677 5.846 815 HO2' G 9 2HO G 9 10.029 -2.333 6.144 816 H1' G 9 H1' G 9 8.420 -5.114 6.796 817 H8 G 9 8H G 9 6.504 -6.531 6.059 818 H1 G 9 1H G 9 1.998 -2.623 8.455 819 H21 G 9 1H2 G 9 2.967 -0.770 9.220 820 H22 G 9 2H2 G 9 4.713 -0.585 9.111 821 H5' U 10 H5' U 10 7.914 -0.817 4.657 822 H5'' U 10 H5" U 10 9.338 0.212 4.810 823 H4' U 10 H4' U 10 8.015 0.633 2.763 824 H3' U 10 H3' U 10 9.209 2.598 4.246 825 H2' U 10 H2' U 10 7.220 2.965 5.568 826 HO2' U 10 2HO U 10 7.364 4.877 3.468 827 H1' U 10 H1' U 10 5.718 2.978 2.947 828 H3 U 10 3H U 10 1.895 4.396 4.947 829 H5 U 10 5H U 10 3.620 1.970 7.890 830 H6 U 10 6H U 10 5.461 1.469 6.361 831 H5' G 11 H5' G 11 11.235 3.530 0.106 832 H5'' G 11 H5" G 11 10.212 3.364 -1.305 833 H4' G 11 H4' G 11 10.300 1.558 1.150 834 H3' G 11 H3' G 11 11.789 1.451 -1.132 835 H2' G 11 H2' G 11 10.127 1.583 -2.679 836 HO2' G 11 2HO G 11 9.550 -0.434 -3.546 837 H1' G 11 H1' G 11 8.063 -0.177 -1.345 838 H8 G 11 8H G 11 7.147 3.244 -0.938 839 H1 G 11 1H G 11 6.328 1.607 -7.115 840 H21 G 11 1H2 G 11 7.455 -0.311 -7.501 841 H22 G 11 2H2 G 11 8.294 -1.098 -6.172 842 H5' C 12 H5' C 12 13.968 0.861 -2.215 843 H5'' C 12 H5" C 12 13.456 -0.813 -1.974 844 H4' C 12 H4' C 12 16.230 0.218 -1.195 845 H3' C 12 H3' C 12 15.541 0.215 -3.806 846 HO3' C 12 H3T C 12 17.680 -0.386 -4.261 847 H2' C 12 H2' C 12 14.431 -1.835 -3.757 848 HO2' C 12 2HO C 12 17.091 -2.435 -4.609 849 H1' C 12 H1' C 12 16.736 -3.205 -2.319 850 H41 C 12 1H4 C 12 12.586 -7.350 -0.120 851 H42 C 12 2H4 C 12 11.438 -7.013 -1.399 852 H5 C 12 5H C 12 11.991 -5.326 -3.126 853 H6 C 12 6H C 12 13.617 -3.703 -3.817 Start of MODEL 9 1 H1 GLY 19 1H GLY 19 -30.623 8.070 0.617 2 H2 GLY 19 2H GLY 19 -29.645 6.939 1.282 3 H3 GLY 19 3H GLY 19 -31.231 6.992 1.691 4 HA2 GLY 19 1HA GLY 19 -30.964 9.127 2.754 5 HA3 GLY 19 2HA GLY 19 -29.897 7.905 3.469 6 H SER 20 H SER 20 -28.859 10.043 4.157 7 HA SER 20 HA SER 20 -26.466 10.533 2.592 8 HB2 SER 20 1HB SER 20 -28.184 11.990 1.437 9 HB3 SER 20 2HB SER 20 -28.365 12.880 2.957 10 HG SER 20 HG SER 20 -26.828 13.838 1.490 11 H THR 21 H THR 21 -25.070 12.196 3.705 12 HA THR 21 HA THR 21 -25.465 12.905 6.456 13 HB THR 21 HB THR 21 -25.154 10.433 6.702 14 HG1 THR 21 1HG THR 21 -23.720 10.722 8.402 15 HG21 THR 21 3HG2 THR 21 -22.944 9.449 6.463 16 HG22 THR 21 1HG2 THR 21 -23.458 10.075 4.890 17 HG23 THR 21 2HG2 THR 21 -22.268 10.974 5.859 18 H ASN 22 H ASN 22 -23.498 13.874 7.393 19 HA ASN 22 HA ASN 22 -22.141 15.561 5.441 20 HB2 ASN 22 1HB ASN 22 -22.889 16.437 7.610 21 HB3 ASN 22 2HB ASN 22 -21.853 15.287 8.456 22 HD21 ASN 22 2HD2 ASN 22 -20.735 17.061 9.513 23 HD22 ASN 22 1HD2 ASN 22 -19.577 18.029 8.618 24 H ALA 23 H ALA 23 -20.489 14.835 4.271 25 HA ALA 23 HA ALA 23 -18.110 13.590 5.380 26 HB1 ALA 23 1HB ALA 23 -19.598 11.607 5.238 27 HB2 ALA 23 2HB ALA 23 -19.947 11.980 3.535 28 HB3 ALA 23 3HB ALA 23 -18.310 11.499 4.029 29 H GLU 24 H GLU 24 -16.474 13.182 3.665 30 HA GLU 24 HA GLU 24 -16.379 15.347 1.735 31 HB2 GLU 24 1HB GLU 24 -14.528 12.973 2.189 32 HB3 GLU 24 2HB GLU 24 -14.199 14.300 1.081 33 HG2 GLU 24 1HG GLU 24 -14.506 14.535 4.106 34 HG3 GLU 24 2HG GLU 24 -12.997 14.572 3.205 35 HA PRO 25 HA PRO 25 -18.283 13.178 -1.606 36 HB2 PRO 25 1HB PRO 25 -17.448 14.575 -3.801 37 HB3 PRO 25 2HB PRO 25 -18.543 15.262 -2.564 38 HG2 PRO 25 1HG PRO 25 -15.533 15.609 -2.771 39 HG3 PRO 25 2HG PRO 25 -16.781 16.875 -2.541 40 HD2 PRO 25 1HD PRO 25 -15.395 15.813 -0.446 41 HD3 PRO 25 2HD PRO 25 -17.120 16.263 -0.289 42 H VAL 26 H VAL 26 -17.927 11.396 -2.809 43 HA VAL 26 HA VAL 26 -15.211 10.331 -3.092 44 HB VAL 26 HB VAL 26 -16.371 8.344 -4.150 45 HG11 VAL 26 1HG1 VAL 26 -15.588 8.398 -1.832 46 HG12 VAL 26 2HG1 VAL 26 -17.128 9.111 -1.307 47 HG13 VAL 26 3HG1 VAL 26 -17.085 7.467 -1.980 48 HG21 VAL 26 3HG2 VAL 26 -18.749 8.006 -3.746 49 HG22 VAL 26 1HG2 VAL 26 -18.919 9.625 -3.047 50 HG23 VAL 26 2HG2 VAL 26 -18.559 9.430 -4.774 51 H VAL 27 H VAL 27 -14.515 12.107 -4.346 52 HA VAL 27 HA VAL 27 -14.595 11.510 -7.258 53 HB VAL 27 HB VAL 27 -14.768 13.856 -7.887 54 HG11 VAL 27 1HG1 VAL 27 -16.843 12.506 -7.799 55 HG12 VAL 27 2HG1 VAL 27 -17.160 13.125 -6.159 56 HG13 VAL 27 3HG1 VAL 27 -17.127 14.234 -7.541 57 HG21 VAL 27 3HG2 VAL 27 -15.505 15.605 -6.287 58 HG22 VAL 27 1HG2 VAL 27 -15.273 14.465 -4.946 59 HG23 VAL 27 2HG2 VAL 27 -13.886 15.000 -5.921 60 H GLY 28 H GLY 28 -12.771 12.236 -8.424 61 HA2 GLY 28 1HA GLY 28 -10.283 12.238 -6.972 62 HA3 GLY 28 2HA GLY 28 -10.490 12.457 -8.720 63 H SER 29 H SER 29 -8.554 13.748 -7.240 64 HA SER 29 HA SER 29 -8.880 16.521 -7.856 65 HB2 SER 29 1HB SER 29 -10.270 16.347 -5.731 66 HB3 SER 29 2HB SER 29 -8.780 15.928 -4.878 67 HG SER 29 HG SER 29 -9.339 18.214 -4.848 68 H ARG 30 H ARG 30 -6.918 17.658 -6.361 69 HA ARG 30 HA ARG 30 -4.544 16.682 -7.617 70 HB2 ARG 30 1HB ARG 30 -4.856 18.703 -5.359 71 HB3 ARG 30 2HB ARG 30 -3.411 18.484 -6.341 72 HG2 ARG 30 1HG ARG 30 -6.121 19.464 -7.343 73 HG3 ARG 30 2HG ARG 30 -4.685 20.442 -7.051 74 HD2 ARG 30 1HD ARG 30 -3.467 19.132 -8.823 75 HD3 ARG 30 2HD ARG 30 -4.956 18.243 -9.144 76 HE ARG 30 HE ARG 30 -5.881 20.065 -10.215 77 HH11 ARG 30 1HH1 ARG 30 -2.867 21.166 -8.715 78 HH12 ARG 30 2HH1 ARG 30 -2.875 22.664 -9.598 79 HH21 ARG 30 1HH2 ARG 30 -5.827 22.011 -11.311 80 HH22 ARG 30 2HH2 ARG 30 -4.529 23.134 -11.041 81 H ASP 31 H ASP 31 -2.678 15.892 -6.834 82 HA ASP 31 HA ASP 31 -1.161 14.767 -5.779 83 HB2 ASP 31 1HB ASP 31 -2.573 15.327 -3.163 84 HB3 ASP 31 2HB ASP 31 -0.912 14.822 -3.459 85 H THR 32 H THR 32 -0.499 12.793 -5.206 86 HA THR 32 HA THR 32 -2.394 10.602 -5.487 87 HB THR 32 HB THR 32 -0.284 9.221 -5.412 88 HG1 THR 32 1HG THR 32 1.660 10.417 -5.467 89 HG21 THR 32 3HG2 THR 32 0.549 9.977 -7.579 90 HG22 THR 32 1HG2 THR 32 -1.219 10.074 -7.544 91 HG23 THR 32 2HG2 THR 32 -0.248 11.556 -7.378 92 H MET 33 H MET 33 -1.379 12.266 -2.769 93 HA MET 33 HA MET 33 -0.961 10.359 -0.751 94 HB2 MET 33 1HB MET 33 -2.390 13.043 -0.745 95 HB3 MET 33 2HB MET 33 -2.143 12.084 0.722 96 HG2 MET 33 1HG MET 33 0.279 11.988 0.269 97 HG3 MET 33 2HG MET 33 0.072 13.032 -1.138 98 HE1 MET 33 3HE MET 33 1.969 14.854 1.866 99 HE2 MET 33 1HE MET 33 1.823 13.096 1.628 100 HE3 MET 33 2HE MET 33 2.150 14.148 0.238 101 H PHE 34 H PHE 34 -3.928 10.987 -2.484 102 HA PHE 34 HA PHE 34 -5.569 9.452 -0.532 103 HB2 PHE 34 1HB PHE 34 -6.378 11.249 -2.829 104 HB3 PHE 34 2HB PHE 34 -7.447 10.521 -1.640 105 HD1 PHE 34 2HD PHE 34 -4.741 13.076 -2.050 106 HD2 PHE 34 1HD PHE 34 -7.947 11.565 0.405 107 HE1 PHE 34 2HE PHE 34 -4.567 15.077 -0.597 108 HE2 PHE 34 1HE PHE 34 -7.769 13.572 1.863 109 HZ PHE 34 HZ PHE 34 -6.076 15.327 1.367 110 H THR 35 H THR 35 -3.907 8.762 -3.381 111 HA THR 35 HA THR 35 -5.873 6.648 -4.196 112 HB THR 35 HB THR 35 -5.071 7.025 -6.550 113 HG1 THR 35 1HG THR 35 -4.164 9.054 -6.963 114 HG21 THR 35 3HG2 THR 35 -6.584 8.896 -6.980 115 HG22 THR 35 1HG2 THR 35 -7.277 7.806 -5.769 116 HG23 THR 35 2HG2 THR 35 -6.561 9.354 -5.261 117 H LYS 36 H LYS 36 -2.508 7.438 -3.615 118 HA LYS 36 HA LYS 36 -1.649 4.733 -4.420 119 HB2 LYS 36 1HB LYS 36 -0.200 6.720 -4.787 120 HB3 LYS 36 2HB LYS 36 -0.116 6.970 -3.035 121 HG2 LYS 36 1HG LYS 36 0.926 4.724 -2.769 122 HG3 LYS 36 2HG LYS 36 0.796 4.450 -4.513 123 HD2 LYS 36 1HD LYS 36 2.320 6.337 -4.947 124 HD3 LYS 36 2HD LYS 36 2.411 6.686 -3.204 125 HE2 LYS 36 1HE LYS 36 3.365 4.433 -2.794 126 HE3 LYS 36 2HE LYS 36 3.260 4.056 -4.517 127 HZ1 LYS 36 3HZ LYS 36 5.477 4.774 -3.822 128 HZ2 LYS 36 1HZ LYS 36 4.869 5.782 -4.959 129 HZ3 LYS 36 2HZ LYS 36 4.912 6.244 -3.382 130 H ILE 37 H ILE 37 -1.707 3.045 -3.130 131 HA ILE 37 HA ILE 37 -2.309 3.330 -0.206 132 HB ILE 37 HB ILE 37 -3.348 1.174 -2.086 133 HG12 ILE 37 1HG1 ILE 37 -4.778 3.732 -1.240 134 HG13 ILE 37 2HG1 ILE 37 -4.276 3.306 -2.877 135 HG21 ILE 37 1HG2 ILE 37 -3.214 0.701 0.389 136 HG22 ILE 37 2HG2 ILE 37 -4.323 2.064 0.656 137 HG23 ILE 37 3HG2 ILE 37 -4.844 0.634 -0.260 138 HD11 ILE 37 3HD1 ILE 37 -6.613 2.921 -2.721 139 HD12 ILE 37 1HD1 ILE 37 -5.814 1.342 -2.834 140 HD13 ILE 37 2HD1 ILE 37 -6.439 1.929 -1.267 141 H PHE 38 H PHE 38 -0.865 2.446 1.050 142 HA PHE 38 HA PHE 38 1.142 0.464 0.159 143 HB2 PHE 38 1HB PHE 38 1.966 2.249 1.551 144 HB3 PHE 38 2HB PHE 38 0.628 2.099 2.669 145 HD1 PHE 38 2HD PHE 38 0.486 0.286 4.289 146 HD2 PHE 38 1HD PHE 38 3.983 0.750 1.769 147 HE1 PHE 38 2HE PHE 38 1.767 -1.224 5.781 148 HE2 PHE 38 1HE PHE 38 5.263 -0.647 3.349 149 HZ PHE 38 HZ PHE 38 4.174 -1.697 5.294 150 H VAL 39 H VAL 39 1.040 -1.669 0.765 151 HA VAL 39 HA VAL 39 -1.136 -2.579 2.599 152 HB VAL 39 HB VAL 39 -0.605 -3.890 -0.099 153 HG11 VAL 39 1HG1 VAL 39 -1.251 -5.546 1.524 154 HG12 VAL 39 2HG1 VAL 39 -2.473 -4.493 2.236 155 HG13 VAL 39 3HG1 VAL 39 -2.722 -5.174 0.618 156 HG21 VAL 39 3HG2 VAL 39 -2.863 -3.178 -0.724 157 HG22 VAL 39 1HG2 VAL 39 -2.987 -2.211 0.767 158 HG23 VAL 39 2HG2 VAL 39 -1.801 -1.796 -0.491 159 H GLY 40 H GLY 40 0.184 -3.199 4.224 160 HA2 GLY 40 1HA GLY 40 2.373 -5.173 3.606 161 HA3 GLY 40 2HA GLY 40 2.432 -4.108 4.983 162 H GLY 41 H GLY 41 2.870 -6.388 5.824 163 HA2 GLY 41 1HA GLY 41 2.215 -8.164 7.139 164 HA3 GLY 41 2HA GLY 41 0.550 -7.529 7.141 165 H LEU 42 H LEU 42 2.013 -8.112 4.077 166 HA LEU 42 HA LEU 42 0.145 -10.243 3.353 167 HB2 LEU 42 1HB LEU 42 2.553 -9.028 1.911 168 HB3 LEU 42 2HB LEU 42 1.415 -10.154 1.189 169 HG LEU 42 HG LEU 42 0.702 -7.355 2.184 170 HD11 LEU 42 1HD1 LEU 42 2.180 -7.330 0.203 171 HD12 LEU 42 2HD1 LEU 42 1.064 -8.410 -0.655 172 HD13 LEU 42 3HD1 LEU 42 0.548 -6.772 -0.195 173 HD21 LEU 42 3HD2 LEU 42 -1.426 -7.781 0.885 174 HD22 LEU 42 1HD2 LEU 42 -0.932 -9.473 0.712 175 HD23 LEU 42 2HD2 LEU 42 -1.254 -8.794 2.322 176 HA PRO 43 HA PRO 43 3.104 -13.509 4.377 177 HB2 PRO 43 1HB PRO 43 2.123 -15.603 2.987 178 HB3 PRO 43 2HB PRO 43 1.299 -14.953 4.432 179 HG2 PRO 43 1HG PRO 43 0.667 -14.402 1.527 180 HG3 PRO 43 2HG PRO 43 -0.469 -14.788 2.855 181 HD2 PRO 43 1HD PRO 43 0.050 -12.207 2.021 182 HD3 PRO 43 2HD PRO 43 -0.382 -12.611 3.699 183 H TYR 44 H TYR 44 4.968 -14.396 3.364 184 HA TYR 44 HA TYR 44 5.967 -12.797 1.277 185 HB2 TYR 44 1HB TYR 44 7.008 -15.406 2.422 186 HB3 TYR 44 2HB TYR 44 7.939 -14.365 1.365 187 HD1 TYR 44 2HD TYR 44 6.736 -11.711 2.943 188 HD2 TYR 44 1HD TYR 44 8.892 -15.305 3.979 189 HE1 TYR 44 2HE TYR 44 7.776 -10.542 4.863 190 HE2 TYR 44 1HE TYR 44 9.934 -14.125 5.896 191 HH TYR 44 HH TYR 44 10.109 -12.140 7.059 192 H HIS 45 H HIS 45 3.976 -15.477 0.740 193 HA HIS 45 HA HIS 45 5.086 -16.038 -1.951 194 HB2 HIS 45 1HB HIS 45 3.602 -17.904 -2.001 195 HB3 HIS 45 2HB HIS 45 4.447 -17.895 -0.461 196 HD2 HIS 45 2HD HIS 45 0.953 -17.423 -1.999 197 HE1 HIS 45 1HE HIS 45 0.395 -17.596 2.214 198 HE2 HIS 45 2HE HIS 45 -0.792 -17.559 -0.037 199 H THR 46 H THR 46 2.884 -13.761 -0.739 200 HA THR 46 HA THR 46 0.943 -13.636 -2.875 201 HB THR 46 HB THR 46 2.023 -11.442 -1.050 202 HG1 THR 46 1HG THR 46 -0.241 -13.161 -0.853 203 HG21 THR 46 3HG2 THR 46 -0.134 -10.334 -1.384 204 HG22 THR 46 1HG2 THR 46 0.669 -10.509 -2.946 205 HG23 THR 46 2HG2 THR 46 -0.661 -11.601 -2.494 206 H SER 47 H SER 47 0.986 -12.605 -4.832 207 HA SER 47 HA SER 47 3.588 -11.430 -5.750 208 HB2 SER 47 1HB SER 47 2.802 -13.632 -6.726 209 HB3 SER 47 2HB SER 47 1.442 -12.752 -7.436 210 HG SER 47 HG SER 47 3.428 -13.031 -8.765 211 H ASP 48 H ASP 48 3.262 -9.938 -7.692 212 HA ASP 48 HA ASP 48 1.712 -7.626 -6.939 213 HB2 ASP 48 1HB ASP 48 2.511 -6.639 -8.911 214 HB3 ASP 48 2HB ASP 48 3.838 -7.630 -8.317 215 H LYS 49 H LYS 49 1.112 -10.373 -9.044 216 HA LYS 49 HA LYS 49 -1.392 -9.391 -10.180 217 HB2 LYS 49 1HB LYS 49 0.019 -12.079 -10.038 218 HB3 LYS 49 2HB LYS 49 -1.593 -11.913 -10.747 219 HG2 LYS 49 1HG LYS 49 -0.884 -10.412 -12.422 220 HG3 LYS 49 2HG LYS 49 0.684 -10.121 -11.671 221 HD2 LYS 49 1HD LYS 49 -0.204 -12.781 -12.854 222 HD3 LYS 49 2HD LYS 49 0.786 -11.593 -13.697 223 HE2 LYS 49 1HE LYS 49 1.580 -13.018 -11.109 224 HE3 LYS 49 2HE LYS 49 2.096 -13.479 -12.730 225 HZ1 LYS 49 3HZ LYS 49 3.790 -12.148 -11.713 226 HZ2 LYS 49 1HZ LYS 49 3.149 -11.266 -12.927 227 HZ3 LYS 49 2HZ LYS 49 2.783 -10.922 -11.366 228 H THR 50 H THR 50 -0.588 -11.586 -7.451 229 HA THR 50 HA THR 50 -3.202 -12.252 -6.604 230 HB THR 50 HB THR 50 -0.926 -11.645 -4.696 231 HG1 THR 50 1HG THR 50 -1.220 -14.004 -6.240 232 HG21 THR 50 3HG2 THR 50 -1.789 -13.660 -3.525 233 HG22 THR 50 1HG2 THR 50 -3.022 -12.396 -3.658 234 HG23 THR 50 2HG2 THR 50 -3.080 -13.805 -4.737 235 H LEU 51 H LEU 51 -1.166 -9.439 -5.696 236 HA LEU 51 HA LEU 51 -3.227 -8.319 -4.028 237 HB2 LEU 51 1HB LEU 51 -0.725 -7.998 -3.745 238 HB3 LEU 51 2HB LEU 51 -0.729 -7.023 -5.214 239 HG LEU 51 HG LEU 51 -2.330 -5.424 -4.068 240 HD11 LEU 51 1HD1 LEU 51 -3.273 -6.901 -2.347 241 HD12 LEU 51 2HD1 LEU 51 -1.669 -7.081 -1.596 242 HD13 LEU 51 3HD1 LEU 51 -2.488 -5.503 -1.614 243 HD21 LEU 51 3HD2 LEU 51 -0.574 -4.392 -2.648 244 HD22 LEU 51 1HD2 LEU 51 0.368 -5.894 -2.733 245 HD23 LEU 51 2HD2 LEU 51 0.055 -4.945 -4.208 246 H HIS 52 H HIS 52 -2.292 -7.656 -7.420 247 HA HIS 52 HA HIS 52 -4.087 -5.459 -7.821 248 HB2 HIS 52 1HB HIS 52 -2.328 -6.123 -9.432 249 HB3 HIS 52 2HB HIS 52 -3.144 -7.648 -9.724 250 HD2 HIS 52 2HD HIS 52 -3.355 -3.915 -10.618 251 HE1 HIS 52 1HE HIS 52 -6.302 -5.913 -12.950 252 HE2 HIS 52 2HE HIS 52 -5.074 -3.709 -12.593 253 H GLU 53 H GLU 53 -4.549 -8.981 -7.961 254 HA GLU 53 HA GLU 53 -7.201 -8.912 -9.092 255 HB2 GLU 53 1HB GLU 53 -5.511 -11.034 -7.745 256 HB3 GLU 53 2HB GLU 53 -7.190 -11.351 -8.208 257 HG2 GLU 53 1HG GLU 53 -6.690 -10.767 -10.553 258 HG3 GLU 53 2HG GLU 53 -5.006 -10.456 -10.150 259 H TYR 54 H TYR 54 -6.026 -9.122 -5.685 260 HA TYR 54 HA TYR 54 -8.646 -9.422 -4.556 261 HB2 TYR 54 1HB TYR 54 -6.489 -9.909 -3.388 262 HB3 TYR 54 2HB TYR 54 -6.183 -8.176 -3.277 263 HD1 TYR 54 2HD TYR 54 -8.455 -10.939 -2.238 264 HD2 TYR 54 1HD TYR 54 -7.368 -6.812 -1.620 265 HE1 TYR 54 2HE TYR 54 -9.982 -10.835 -0.281 266 HE2 TYR 54 1HE TYR 54 -8.902 -6.699 0.332 267 HH TYR 54 HH TYR 54 -10.894 -9.511 1.361 268 H PHE 55 H PHE 55 -6.893 -6.529 -5.627 269 HA PHE 55 HA PHE 55 -8.750 -4.730 -4.276 270 HB2 PHE 55 1HB PHE 55 -6.220 -4.406 -5.855 271 HB3 PHE 55 2HB PHE 55 -7.295 -3.031 -5.703 272 HD1 PHE 55 1HD PHE 55 -5.822 -5.698 -3.441 273 HD2 PHE 55 2HD PHE 55 -6.955 -1.564 -3.936 274 HE1 PHE 55 1HE PHE 55 -5.022 -5.204 -1.155 275 HE2 PHE 55 2HE PHE 55 -6.139 -1.076 -1.647 276 HZ PHE 55 HZ PHE 55 -5.218 -2.900 -0.237 277 H GLU 56 H GLU 56 -9.029 -6.340 -7.277 278 HA GLU 56 HA GLU 56 -10.289 -4.262 -8.788 279 HB2 GLU 56 1HB GLU 56 -10.716 -7.268 -8.965 280 HB3 GLU 56 2HB GLU 56 -11.253 -6.062 -10.147 281 HG2 GLU 56 1HG GLU 56 -8.823 -5.371 -10.372 282 HG3 GLU 56 2HG GLU 56 -8.418 -6.849 -9.488 283 H GLN 57 H GLN 57 -11.489 -5.986 -6.071 284 HA GLN 57 HA GLN 57 -14.328 -5.673 -6.618 285 HB2 GLN 57 1HB GLN 57 -14.677 -6.512 -4.431 286 HB3 GLN 57 2HB GLN 57 -13.301 -7.398 -5.084 287 HG2 GLN 57 1HG GLN 57 -11.788 -5.769 -3.802 288 HG3 GLN 57 2HG GLN 57 -13.245 -5.121 -3.055 289 HE21 GLN 57 2HE2 GLN 57 -10.819 -7.496 -2.739 290 HE22 GLN 57 1HE2 GLN 57 -11.616 -8.433 -1.480 291 H PHE 58 H PHE 58 -11.907 -3.419 -5.643 292 HA PHE 58 HA PHE 58 -13.829 -1.636 -4.256 293 HB2 PHE 58 1HB PHE 58 -10.844 -1.330 -4.688 294 HB3 PHE 58 2HB PHE 58 -11.852 -0.404 -3.594 295 HD1 PHE 58 1HD PHE 58 -13.386 -2.260 -2.021 296 HD2 PHE 58 2HD PHE 58 -9.358 -2.658 -3.499 297 HE1 PHE 58 1HE PHE 58 -12.854 -3.816 -0.164 298 HE2 PHE 58 2HE PHE 58 -8.831 -4.227 -1.648 299 HZ PHE 58 HZ PHE 58 -10.583 -4.809 0.022 300 H GLY 59 H GLY 59 -12.454 -2.007 -7.406 301 HA2 GLY 59 1HA GLY 59 -13.740 -0.398 -9.000 302 HA3 GLY 59 2HA GLY 59 -12.898 0.864 -8.112 303 H ASP 60 H ASP 60 -11.624 1.647 -9.685 304 HA ASP 60 HA ASP 60 -10.301 -0.164 -11.617 305 HB2 ASP 60 1HB ASP 60 -10.702 2.847 -11.540 306 HB3 ASP 60 2HB ASP 60 -9.817 1.984 -12.798 307 H ILE 61 H ILE 61 -8.180 -0.527 -11.786 308 HA ILE 61 HA ILE 61 -6.365 0.639 -9.706 309 HB ILE 61 HB ILE 61 -6.143 -2.034 -11.103 310 HG12 ILE 61 1HG1 ILE 61 -7.099 -1.515 -8.248 311 HG13 ILE 61 2HG1 ILE 61 -8.183 -1.886 -9.589 312 HG21 ILE 61 1HG2 ILE 61 -3.985 -1.161 -10.329 313 HG22 ILE 61 2HG2 ILE 61 -4.675 -0.754 -8.744 314 HG23 ILE 61 3HG2 ILE 61 -4.473 -2.442 -9.232 315 HD11 ILE 61 3HD1 ILE 61 -7.859 -3.925 -8.505 316 HD12 ILE 61 1HD1 ILE 61 -6.894 -4.029 -9.968 317 HD13 ILE 61 2HD1 ILE 61 -6.104 -3.727 -8.397 318 H GLU 62 H GLU 62 -4.666 1.762 -10.319 319 HA GLU 62 HA GLU 62 -4.129 2.319 -13.149 320 HB2 GLU 62 1HB GLU 62 -4.321 3.950 -11.125 321 HB3 GLU 62 2HB GLU 62 -2.697 3.440 -10.708 322 HG2 GLU 62 1HG GLU 62 -3.570 4.706 -13.339 323 HG3 GLU 62 2HG GLU 62 -2.861 5.566 -11.974 324 H GLU 63 H GLU 63 -2.427 0.983 -10.297 325 HA GLU 63 HA GLU 63 -0.772 -0.831 -11.807 326 HB2 GLU 63 1HB GLU 63 0.451 1.318 -12.187 327 HB3 GLU 63 2HB GLU 63 0.579 1.547 -10.441 328 HG2 GLU 63 1HG GLU 63 2.018 -0.412 -10.245 329 HG3 GLU 63 2HG GLU 63 1.711 -0.860 -11.928 330 H ALA 64 H ALA 64 0.315 -2.317 -10.362 331 HA ALA 64 HA ALA 64 0.049 -1.958 -7.465 332 HB1 ALA 64 1HB ALA 64 -2.107 -3.002 -8.115 333 HB2 ALA 64 2HB ALA 64 -1.218 -4.295 -8.945 334 HB3 ALA 64 3HB ALA 64 -1.112 -4.138 -7.179 335 H VAL 65 H VAL 65 1.477 -3.227 -6.284 336 HA VAL 65 HA VAL 65 3.397 -5.036 -7.632 337 HB VAL 65 HB VAL 65 5.360 -3.802 -6.816 338 HG11 VAL 65 1HG1 VAL 65 4.645 -3.525 -9.172 339 HG12 VAL 65 2HG1 VAL 65 3.762 -2.048 -8.710 340 HG13 VAL 65 3HG1 VAL 65 5.523 -2.127 -8.532 341 HG21 VAL 65 3HG2 VAL 65 5.247 -1.443 -6.162 342 HG22 VAL 65 1HG2 VAL 65 3.475 -1.484 -6.224 343 HG23 VAL 65 2HG2 VAL 65 4.363 -2.445 -5.016 344 H VAL 66 H VAL 66 4.801 -6.144 -6.172 345 HA VAL 66 HA VAL 66 4.266 -5.868 -3.259 346 HB VAL 66 HB VAL 66 4.442 -8.515 -4.755 347 HG11 VAL 66 1HG1 VAL 66 5.776 -8.698 -2.683 348 HG12 VAL 66 2HG1 VAL 66 4.448 -7.979 -1.743 349 HG13 VAL 66 3HG1 VAL 66 4.255 -9.570 -2.492 350 HG21 VAL 66 3HG2 VAL 66 2.252 -8.937 -3.660 351 HG22 VAL 66 1HG2 VAL 66 2.294 -7.322 -2.929 352 HG23 VAL 66 2HG2 VAL 66 2.165 -7.503 -4.690 353 H ILE 67 H ILE 67 6.096 -5.931 -2.026 354 HA ILE 67 HA ILE 67 8.509 -5.229 -3.536 355 HB ILE 67 HB ILE 67 7.982 -5.051 -0.561 356 HG12 ILE 67 1HG1 ILE 67 6.317 -3.647 -1.453 357 HG13 ILE 67 2HG1 ILE 67 7.632 -2.593 -1.026 358 HG21 ILE 67 1HG2 ILE 67 10.344 -4.886 -1.059 359 HG22 ILE 67 2HG2 ILE 67 10.058 -3.635 -2.302 360 HG23 ILE 67 3HG2 ILE 67 9.739 -3.307 -0.594 361 HD11 ILE 67 3HD1 ILE 67 6.725 -1.805 -3.054 362 HD12 ILE 67 1HD1 ILE 67 8.309 -2.497 -3.445 363 HD13 ILE 67 2HD1 ILE 67 6.826 -3.399 -3.832 364 H THR 68 H THR 68 9.471 -6.911 -4.309 365 HA THR 68 HA THR 68 10.519 -9.128 -2.636 366 HB THR 68 HB THR 68 10.388 -10.495 -4.821 367 HG1 THR 68 1HG THR 68 9.743 -8.707 -6.108 368 HG21 THR 68 3HG2 THR 68 8.047 -11.207 -4.349 369 HG22 THR 68 1HG2 THR 68 9.057 -11.078 -2.901 370 HG23 THR 68 2HG2 THR 68 7.865 -9.807 -3.264 371 H ASP 69 H ASP 69 12.584 -8.959 -2.554 372 HA ASP 69 HA ASP 69 14.087 -6.939 -3.316 373 HB2 ASP 69 1HB ASP 69 14.728 -8.734 -1.765 374 HB3 ASP 69 2HB ASP 69 15.176 -9.744 -3.131 375 H ARG 70 H ARG 70 15.296 -6.034 -4.847 376 HA ARG 70 HA ARG 70 14.800 -6.418 -7.529 377 HB2 ARG 70 1HB ARG 70 17.110 -5.089 -6.105 378 HB3 ARG 70 2HB ARG 70 16.979 -5.079 -7.865 379 HG2 ARG 70 1HG ARG 70 14.830 -3.977 -7.815 380 HG3 ARG 70 2HG ARG 70 14.759 -4.088 -6.051 381 HD2 ARG 70 1HD ARG 70 16.756 -2.655 -5.862 382 HD3 ARG 70 2HD ARG 70 16.852 -2.532 -7.627 383 HE ARG 70 HE ARG 70 14.386 -1.625 -7.320 384 HH11 ARG 70 1HH1 ARG 70 17.234 -0.707 -5.426 385 HH12 ARG 70 2HH1 ARG 70 16.578 0.851 -5.030 386 HH21 ARG 70 1HH2 ARG 70 13.608 0.404 -6.775 387 HH22 ARG 70 2HH2 ARG 70 14.560 1.470 -5.792 388 H ASN 71 H ASN 71 17.155 -8.168 -5.601 389 HA ASN 71 HA ASN 71 18.402 -9.441 -8.013 390 HB2 ASN 71 1HB ASN 71 19.618 -8.879 -5.279 391 HB3 ASN 71 2HB ASN 71 20.422 -9.680 -6.626 392 HD21 ASN 71 2HD2 ASN 71 19.748 -6.631 -5.179 393 HD22 ASN 71 1HD2 ASN 71 20.392 -5.640 -6.477 394 H THR 72 H THR 72 17.417 -10.093 -4.574 395 HA THR 72 HA THR 72 17.625 -13.020 -5.069 396 HB THR 72 HB THR 72 17.032 -13.084 -2.536 397 HG1 THR 72 1HG THR 72 17.811 -11.023 -1.618 398 HG21 THR 72 3HG2 THR 72 19.365 -12.581 -1.934 399 HG22 THR 72 1HG2 THR 72 19.324 -13.459 -3.471 400 HG23 THR 72 2HG2 THR 72 19.605 -11.701 -3.461 401 H GLN 73 H GLN 73 15.127 -10.686 -5.104 402 HA GLN 73 HA GLN 73 12.890 -10.783 -5.336 403 HB2 GLN 73 1HB GLN 73 13.553 -13.562 -6.371 404 HB3 GLN 73 2HB GLN 73 11.969 -12.821 -6.524 405 HG2 GLN 73 1HG GLN 73 14.439 -11.395 -7.596 406 HG3 GLN 73 2HG GLN 73 13.616 -12.649 -8.513 407 HE21 GLN 73 2HE2 GLN 73 13.231 -9.331 -7.186 408 HE22 GLN 73 1HE2 GLN 73 11.816 -8.984 -8.162 409 H LYS 74 H LYS 74 14.142 -11.968 -2.704 410 HA LYS 74 HA LYS 74 11.826 -13.422 -1.678 411 HB2 LYS 74 1HB LYS 74 13.063 -13.960 0.099 412 HB3 LYS 74 2HB LYS 74 14.371 -13.630 -1.006 413 HG2 LYS 74 1HG LYS 74 13.346 -11.668 1.095 414 HG3 LYS 74 2HG LYS 74 14.692 -12.793 1.311 415 HD2 LYS 74 1HD LYS 74 16.048 -11.729 -0.288 416 HD3 LYS 74 2HD LYS 74 14.703 -10.794 -0.941 417 HE2 LYS 74 1HE LYS 74 16.056 -9.295 0.348 418 HE3 LYS 74 2HE LYS 74 14.528 -9.533 1.199 419 HZ1 LYS 74 3HZ LYS 74 16.438 -9.657 2.701 420 HZ2 LYS 74 1HZ LYS 74 15.677 -11.101 2.675 421 HZ3 LYS 74 2HZ LYS 74 17.086 -10.899 1.865 422 H SER 75 H SER 75 10.216 -12.660 -0.295 423 HA SER 75 HA SER 75 9.475 -9.896 -0.816 424 HB2 SER 75 1HB SER 75 7.835 -11.690 -0.882 425 HB3 SER 75 2HB SER 75 8.110 -12.022 0.838 426 HG SER 75 HG SER 75 6.270 -10.536 0.134 427 H ARG 76 H ARG 76 9.235 -8.189 0.484 428 HA ARG 76 HA ARG 76 10.454 -8.183 3.190 429 HB2 ARG 76 1HB ARG 76 9.437 -5.937 1.421 430 HB3 ARG 76 2HB ARG 76 10.103 -5.751 3.054 431 HG2 ARG 76 1HG ARG 76 12.195 -6.960 2.235 432 HG3 ARG 76 2HG ARG 76 11.572 -6.767 0.586 433 HD2 ARG 76 1HD ARG 76 11.584 -4.345 0.805 434 HD3 ARG 76 2HD ARG 76 11.926 -4.449 2.530 435 HE ARG 76 HE ARG 76 13.823 -4.677 0.326 436 HH11 ARG 76 1HH1 ARG 76 13.369 -5.374 3.771 437 HH12 ARG 76 2HH1 ARG 76 15.079 -5.410 4.078 438 HH21 ARG 76 1HH2 ARG 76 15.993 -4.751 0.787 439 HH22 ARG 76 2HH2 ARG 76 16.549 -5.069 2.411 440 H GLY 77 H GLY 77 7.453 -9.017 2.043 441 HA2 GLY 77 1HA GLY 77 5.604 -9.604 3.336 442 HA3 GLY 77 2HA GLY 77 6.200 -8.601 4.682 443 H TYR 78 H TYR 78 6.134 -6.810 1.791 444 HA TYR 78 HA TYR 78 3.344 -5.967 2.020 445 HB2 TYR 78 1HB TYR 78 3.803 -3.714 2.581 446 HB3 TYR 78 2HB TYR 78 4.719 -4.665 3.727 447 HD1 TYR 78 1HD TYR 78 7.257 -4.933 3.334 448 HD2 TYR 78 2HD TYR 78 4.803 -2.103 1.205 449 HE1 TYR 78 1HE TYR 78 9.281 -3.591 2.780 450 HE2 TYR 78 2HE TYR 78 6.816 -0.730 0.726 451 HH TYR 78 HH TYR 78 10.095 -1.677 1.771 452 H GLY 79 H GLY 79 2.806 -4.201 0.550 453 HA2 GLY 79 1HA GLY 79 4.252 -3.961 -2.017 454 HA3 GLY 79 2HA GLY 79 2.687 -4.762 -2.027 455 H PHE 80 H PHE 80 2.475 -2.869 -3.534 456 HA PHE 80 HA PHE 80 0.987 -0.719 -2.162 457 HB2 PHE 80 1HB PHE 80 3.269 -0.332 -4.112 458 HB3 PHE 80 2HB PHE 80 1.945 0.805 -4.088 459 HD1 PHE 80 2HD PHE 80 4.842 -0.472 -2.146 460 HD2 PHE 80 1HD PHE 80 1.572 2.344 -2.282 461 HE1 PHE 80 2HE PHE 80 5.900 0.875 -0.353 462 HE2 PHE 80 1HE PHE 80 2.651 3.682 -0.488 463 HZ PHE 80 HZ PHE 80 4.824 2.951 0.468 464 H VAL 81 H VAL 81 -0.696 0.114 -3.294 465 HA VAL 81 HA VAL 81 -1.270 -0.830 -6.069 466 HB VAL 81 HB VAL 81 -3.402 -0.711 -3.887 467 HG11 VAL 81 1HG1 VAL 81 -4.244 -0.236 -6.166 468 HG12 VAL 81 2HG1 VAL 81 -3.487 -1.723 -6.767 469 HG13 VAL 81 3HG1 VAL 81 -4.826 -1.805 -5.609 470 HG21 VAL 81 3HG2 VAL 81 -3.546 -3.194 -4.124 471 HG22 VAL 81 1HG2 VAL 81 -2.070 -3.163 -5.111 472 HG23 VAL 81 2HG2 VAL 81 -2.030 -2.659 -3.403 473 H THR 82 H THR 82 -1.938 0.852 -7.361 474 HA THR 82 HA THR 82 -2.753 3.427 -6.048 475 HB THR 82 HB THR 82 -1.348 3.131 -8.729 476 HG1 THR 82 1HG THR 82 0.055 2.742 -7.014 477 HG21 THR 82 3HG2 THR 82 -1.115 5.597 -8.519 478 HG22 THR 82 1HG2 THR 82 -2.815 5.121 -8.618 479 HG23 THR 82 2HG2 THR 82 -2.112 5.570 -7.048 480 H MET 83 H MET 83 -4.726 4.096 -6.484 481 HA MET 83 HA MET 83 -6.381 2.534 -8.406 482 HB2 MET 83 1HB MET 83 -7.322 4.524 -6.325 483 HB3 MET 83 2HB MET 83 -8.277 3.341 -7.204 484 HG2 MET 83 1HG MET 83 -6.143 2.758 -5.121 485 HG3 MET 83 2HG MET 83 -7.876 2.633 -4.895 486 HE1 MET 83 3HE MET 83 -8.918 -0.515 -6.831 487 HE2 MET 83 1HE MET 83 -9.387 0.786 -5.710 488 HE3 MET 83 2HE MET 83 -8.983 1.165 -7.402 489 H LYS 84 H LYS 84 -7.620 3.487 -10.046 490 HA LYS 84 HA LYS 84 -6.381 5.787 -11.312 491 HB2 LYS 84 1HB LYS 84 -8.874 4.182 -11.987 492 HB3 LYS 84 2HB LYS 84 -8.245 5.488 -12.989 493 HG2 LYS 84 1HG LYS 84 -6.018 4.196 -13.047 494 HG3 LYS 84 2HG LYS 84 -6.935 2.829 -12.380 495 HD2 LYS 84 1HD LYS 84 -8.494 2.974 -14.341 496 HD3 LYS 84 2HD LYS 84 -7.518 4.304 -14.988 497 HE2 LYS 84 1HE LYS 84 -5.534 2.802 -15.074 498 HE3 LYS 84 2HE LYS 84 -6.514 1.476 -14.436 499 HZ1 LYS 84 3HZ LYS 84 -6.346 1.364 -16.845 500 HZ2 LYS 84 1HZ LYS 84 -7.903 1.627 -16.427 501 HZ3 LYS 84 2HZ LYS 84 -6.995 2.854 -17.020 502 H ASP 85 H ASP 85 -8.947 5.631 -9.024 503 HA ASP 85 HA ASP 85 -9.215 8.542 -9.121 504 HB2 ASP 85 1HB ASP 85 -10.958 7.660 -10.728 505 HB3 ASP 85 2HB ASP 85 -11.718 6.832 -9.370 506 H ARG 86 H ARG 86 -10.062 9.425 -7.261 507 HA ARG 86 HA ARG 86 -9.368 8.158 -4.816 508 HB2 ARG 86 1HB ARG 86 -9.511 10.636 -5.495 509 HB3 ARG 86 2HB ARG 86 -11.227 10.537 -5.087 510 HG2 ARG 86 1HG ARG 86 -10.674 9.949 -2.770 511 HG3 ARG 86 2HG ARG 86 -8.966 9.802 -3.181 512 HD2 ARG 86 1HD ARG 86 -10.592 12.386 -3.257 513 HD3 ARG 86 2HD ARG 86 -9.453 11.907 -1.999 514 HE ARG 86 HE ARG 86 -8.207 11.856 -4.602 515 HH11 ARG 86 1HH1 ARG 86 -9.080 14.167 -2.067 516 HH12 ARG 86 2HH1 ARG 86 -7.709 15.179 -2.417 517 HH21 ARG 86 1HH2 ARG 86 -6.492 13.208 -5.007 518 HH22 ARG 86 2HH2 ARG 86 -6.262 14.640 -4.076 519 H ALA 87 H ALA 87 -12.479 8.289 -6.534 520 HA ALA 87 HA ALA 87 -14.163 7.322 -4.427 521 HB1 ALA 87 1HB ALA 87 -14.900 8.361 -6.587 522 HB2 ALA 87 2HB ALA 87 -14.360 6.911 -7.449 523 HB3 ALA 87 3HB ALA 87 -15.691 6.805 -6.280 524 H SER 88 H SER 88 -11.842 5.607 -6.478 525 HA SER 88 HA SER 88 -12.846 2.935 -5.655 526 HB2 SER 88 1HB SER 88 -10.410 3.759 -7.268 527 HB3 SER 88 2HB SER 88 -10.968 2.102 -6.989 528 HG SER 88 HG SER 88 -12.457 4.143 -8.332 529 H ALA 89 H ALA 89 -10.216 5.200 -4.787 530 HA ALA 89 HA ALA 89 -8.885 3.349 -2.989 531 HB1 ALA 89 1HB ALA 89 -7.742 5.254 -4.072 532 HB2 ALA 89 2HB ALA 89 -8.787 6.390 -3.186 533 HB3 ALA 89 3HB ALA 89 -7.640 5.363 -2.305 534 H GLU 90 H GLU 90 -11.341 5.919 -2.495 535 HA GLU 90 HA GLU 90 -11.639 5.635 0.319 536 HB2 GLU 90 1HB GLU 90 -13.560 6.402 -1.906 537 HB3 GLU 90 2HB GLU 90 -14.040 6.423 -0.214 538 HG2 GLU 90 1HG GLU 90 -11.616 7.969 -1.231 539 HG3 GLU 90 2HG GLU 90 -13.242 8.627 -1.233 540 H ARG 91 H ARG 91 -12.983 3.679 -2.353 541 HA ARG 91 HA ARG 91 -14.561 1.948 -0.619 542 HB2 ARG 91 1HB ARG 91 -13.630 1.794 -3.494 543 HB3 ARG 91 2HB ARG 91 -14.488 0.452 -2.723 544 HG2 ARG 91 1HG ARG 91 -16.424 1.811 -2.276 545 HG3 ARG 91 2HG ARG 91 -15.597 3.288 -2.794 546 HD2 ARG 91 1HD ARG 91 -15.455 2.455 -5.104 547 HD3 ARG 91 2HD ARG 91 -16.125 0.899 -4.610 548 HE ARG 91 HE ARG 91 -18.240 1.762 -4.674 549 HH11 ARG 91 1HH1 ARG 91 -16.063 4.561 -4.602 550 HH12 ARG 91 2HH1 ARG 91 -17.377 5.679 -4.866 551 HH21 ARG 91 1HH2 ARG 91 -19.856 3.257 -5.018 552 HH22 ARG 91 2HH2 ARG 91 -19.485 4.950 -5.105 553 H ALA 92 H ALA 92 -11.208 1.816 -1.859 554 HA ALA 92 HA ALA 92 -10.690 -0.856 -0.923 555 HB1 ALA 92 1HB ALA 92 -9.422 0.266 -2.736 556 HB2 ALA 92 2HB ALA 92 -8.765 1.417 -1.549 557 HB3 ALA 92 3HB ALA 92 -8.363 -0.308 -1.435 558 H CYS 93 H CYS 93 -10.299 2.296 0.708 559 HA CYS 93 HA CYS 93 -8.864 1.162 2.934 560 HB2 CYS 93 1HB CYS 93 -8.919 3.329 3.864 561 HB3 CYS 93 2HB CYS 93 -8.802 3.563 2.116 562 HG CYS 93 HG CYS 93 -11.542 3.806 1.843 563 H LYS 94 H LYS 94 -12.119 0.729 2.216 564 HA LYS 94 HA LYS 94 -13.342 0.901 4.801 565 HB2 LYS 94 1HB LYS 94 -14.042 -0.809 2.373 566 HB3 LYS 94 2HB LYS 94 -15.085 -0.543 3.755 567 HG2 LYS 94 1HG LYS 94 -14.166 1.540 1.743 568 HG3 LYS 94 2HG LYS 94 -15.780 0.853 1.893 569 HD2 LYS 94 1HD LYS 94 -15.976 1.913 4.167 570 HD3 LYS 94 2HD LYS 94 -14.388 2.680 3.903 571 HE2 LYS 94 1HE LYS 94 -15.265 3.756 1.836 572 HE3 LYS 94 2HE LYS 94 -16.856 3.049 2.148 573 HZ1 LYS 94 3HZ LYS 94 -16.725 5.323 2.968 574 HZ2 LYS 94 1HZ LYS 94 -16.922 4.310 4.235 575 HZ3 LYS 94 2HZ LYS 94 -15.454 4.967 3.930 576 H ASP 95 H ASP 95 -11.360 -1.600 3.456 577 HA ASP 95 HA ASP 95 -11.711 -3.269 5.926 578 HB2 ASP 95 1HB ASP 95 -11.206 -4.059 3.046 579 HB3 ASP 95 2HB ASP 95 -10.892 -5.124 4.413 580 HA PRO 96 HA PRO 96 -7.416 -1.609 6.085 581 HB2 PRO 96 1HB PRO 96 -7.810 -2.130 9.008 582 HB3 PRO 96 2HB PRO 96 -7.165 -0.673 8.194 583 HG2 PRO 96 1HG PRO 96 -9.676 -0.740 9.267 584 HG3 PRO 96 2HG PRO 96 -9.340 0.128 7.728 585 HD2 PRO 96 1HD PRO 96 -10.541 -2.620 8.124 586 HD3 PRO 96 2HD PRO 96 -11.040 -1.301 7.025 587 H ASN 97 H ASN 97 -8.844 -4.415 7.756 588 HA ASN 97 HA ASN 97 -6.289 -5.925 7.408 589 HB2 ASN 97 1HB ASN 97 -8.299 -6.349 9.629 590 HB3 ASN 97 2HB ASN 97 -6.739 -7.127 9.419 591 HD21 ASN 97 2HD2 ASN 97 -4.820 -5.363 9.186 592 HD22 ASN 97 1HD2 ASN 97 -4.899 -4.131 10.437 593 HA PRO 98 HA PRO 98 -9.533 -8.035 4.908 594 HB2 PRO 98 1HB PRO 98 -8.147 -8.326 2.573 595 HB3 PRO 98 2HB PRO 98 -8.921 -6.779 3.055 596 HG2 PRO 98 1HG PRO 98 -6.025 -7.629 3.418 597 HG3 PRO 98 2HG PRO 98 -6.647 -6.110 2.699 598 HD2 PRO 98 1HD PRO 98 -5.867 -6.249 5.296 599 HD3 PRO 98 2HD PRO 98 -7.292 -5.291 4.815 600 H ILE 99 H ILE 99 -6.361 -9.102 5.806 601 HA ILE 99 HA ILE 99 -5.382 -11.136 6.091 602 HB ILE 99 HB ILE 99 -8.033 -12.518 5.854 603 HG12 ILE 99 1HG1 ILE 99 -8.614 -10.685 7.289 604 HG13 ILE 99 2HG1 ILE 99 -8.469 -12.139 8.239 605 HG21 ILE 99 1HG2 ILE 99 -6.051 -13.941 6.157 606 HG22 ILE 99 2HG2 ILE 99 -5.550 -13.001 7.566 607 HG23 ILE 99 3HG2 ILE 99 -7.039 -13.966 7.616 608 HD11 ILE 99 3HD1 ILE 99 -7.524 -10.268 9.460 609 HD12 ILE 99 1HD1 ILE 99 -6.200 -11.364 9.031 610 HD13 ILE 99 2HD1 ILE 99 -6.463 -9.853 8.111 611 H ILE 100 H ILE 100 -4.735 -10.357 3.796 612 HA ILE 100 HA ILE 100 -5.758 -11.839 1.505 613 HB ILE 100 HB ILE 100 -3.406 -9.963 1.870 614 HG12 ILE 100 1HG1 ILE 100 -5.909 -9.645 0.151 615 HG13 ILE 100 2HG1 ILE 100 -5.900 -9.193 1.842 616 HG21 ILE 100 1HG2 ILE 100 -2.734 -11.530 0.099 617 HG22 ILE 100 2HG2 ILE 100 -4.310 -11.346 -0.704 618 HG23 ILE 100 3HG2 ILE 100 -3.164 -9.993 -0.630 619 HD11 ILE 100 3HD1 ILE 100 -5.499 -7.222 0.502 620 HD12 ILE 100 1HD1 ILE 100 -4.031 -7.595 1.425 621 HD13 ILE 100 2HD1 ILE 100 -4.124 -7.982 -0.311 622 H ASP 101 H ASP 101 -5.390 -13.827 1.068 623 HA ASP 101 HA ASP 101 -4.556 -15.873 0.875 624 HB2 ASP 101 1HB ASP 101 -2.771 -14.143 -0.319 625 HB3 ASP 101 2HB ASP 101 -1.700 -15.128 0.661 626 H GLY 102 H GLY 102 -4.674 -14.789 3.636 627 HA2 GLY 102 1HA GLY 102 -4.794 -16.178 5.519 628 HA3 GLY 102 2HA GLY 102 -3.503 -17.212 4.880 629 H ARG 103 H ARG 103 -3.306 -13.653 5.342 630 HA ARG 103 HA ARG 103 -2.125 -13.937 7.989 631 HB2 ARG 103 1HB ARG 103 -0.163 -14.278 6.330 632 HB3 ARG 103 2HB ARG 103 -0.377 -12.576 5.900 633 HG2 ARG 103 1HG ARG 103 -0.048 -11.995 8.353 634 HG3 ARG 103 2HG ARG 103 0.262 -13.711 8.656 635 HD2 ARG 103 1HD ARG 103 2.169 -13.519 6.946 636 HD3 ARG 103 2HD ARG 103 1.898 -11.779 6.965 637 HE ARG 103 HE ARG 103 2.628 -11.653 9.237 638 HH11 ARG 103 1HH1 ARG 103 2.917 -14.983 8.035 639 HH12 ARG 103 2HH1 ARG 103 3.940 -15.453 9.356 640 HH21 ARG 103 1HH2 ARG 103 3.963 -12.357 10.922 641 HH22 ARG 103 2HH2 ARG 103 4.507 -13.999 10.945 642 H LYS 104 H LYS 104 -2.343 -12.080 9.213 643 HA LYS 104 HA LYS 104 -4.295 -10.212 8.300 644 HB2 LYS 104 1HB LYS 104 -4.084 -10.934 10.634 645 HB3 LYS 104 2HB LYS 104 -2.542 -10.066 10.768 646 HG2 LYS 104 1HG LYS 104 -3.673 -7.915 10.375 647 HG3 LYS 104 2HG LYS 104 -5.189 -8.733 9.990 648 HD2 LYS 104 1HD LYS 104 -5.256 -7.765 12.224 649 HD3 LYS 104 2HD LYS 104 -5.411 -9.530 12.286 650 HE2 LYS 104 1HE LYS 104 -3.032 -9.745 12.891 651 HE3 LYS 104 2HE LYS 104 -2.810 -7.995 12.750 652 HZ1 LYS 104 3HZ LYS 104 -3.128 -8.668 15.059 653 HZ2 LYS 104 1HZ LYS 104 -4.374 -7.720 14.598 654 HZ3 LYS 104 2HZ LYS 104 -4.580 -9.338 14.725 655 H ALA 105 H ALA 105 -3.888 -8.978 6.665 656 HA ALA 105 HA ALA 105 -1.444 -7.436 6.345 657 HB1 ALA 105 1HB ALA 105 -2.562 -8.466 4.416 658 HB2 ALA 105 2HB ALA 105 -4.040 -7.534 4.745 659 HB3 ALA 105 3HB ALA 105 -2.558 -6.704 4.242 660 H ASN 106 H ASN 106 -1.520 -5.116 5.951 661 HA ASN 106 HA ASN 106 -3.572 -3.563 7.461 662 HB2 ASN 106 1HB ASN 106 -0.544 -3.314 7.522 663 HB3 ASN 106 2HB ASN 106 -1.635 -2.045 8.069 664 HD21 ASN 106 2HD2 ASN 106 -2.862 -2.335 9.982 665 HD22 ASN 106 1HD2 ASN 106 -2.483 -3.625 11.116 666 H VAL 107 H VAL 107 -4.675 -2.730 5.830 667 HA VAL 107 HA VAL 107 -3.368 -1.586 3.404 668 HB VAL 107 HB VAL 107 -6.294 -2.101 4.077 669 HG11 VAL 107 1HG1 VAL 107 -6.170 -0.195 2.530 670 HG12 VAL 107 2HG1 VAL 107 -5.024 -1.079 1.498 671 HG13 VAL 107 3HG1 VAL 107 -6.708 -1.624 1.647 672 HG21 VAL 107 3HG2 VAL 107 -6.164 -3.867 2.382 673 HG22 VAL 107 1HG2 VAL 107 -4.454 -3.506 2.104 674 HG23 VAL 107 2HG2 VAL 107 -4.977 -4.178 3.660 675 H ASN 108 H ASN 108 -3.023 0.550 3.269 676 HA ASN 108 HA ASN 108 -4.936 2.499 4.208 677 HB2 ASN 108 1HB ASN 108 -3.430 3.705 5.756 678 HB3 ASN 108 2HB ASN 108 -3.935 2.148 6.364 679 HD21 ASN 108 2HD2 ASN 108 -1.119 3.917 4.948 680 HD22 ASN 108 1HD2 ASN 108 0.037 2.874 5.755 681 H LEU 109 H LEU 109 -4.378 4.713 3.664 682 HA LEU 109 HA LEU 109 -3.129 5.134 1.127 683 HB2 LEU 109 1HB LEU 109 -3.618 7.051 3.449 684 HB3 LEU 109 2HB LEU 109 -3.169 7.533 1.823 685 HG LEU 109 HG LEU 109 -5.760 6.108 2.571 686 HD11 LEU 109 1HD1 LEU 109 -5.657 8.415 3.417 687 HD12 LEU 109 2HD1 LEU 109 -5.246 9.010 1.796 688 HD13 LEU 109 3HD1 LEU 109 -6.831 8.268 2.099 689 HD21 LEU 109 3HD2 LEU 109 -6.457 6.735 0.234 690 HD22 LEU 109 1HD2 LEU 109 -4.772 7.193 -0.101 691 HD23 LEU 109 2HD2 LEU 109 -5.186 5.512 0.291 692 H ALA 110 H ALA 110 -1.163 5.893 0.545 693 HA ALA 110 HA ALA 110 1.150 4.949 1.696 694 HB1 ALA 110 1HB ALA 110 0.934 5.665 -0.606 695 HB2 ALA 110 2HB ALA 110 0.836 7.370 -0.128 696 HB3 ALA 110 3HB ALA 110 2.342 6.450 0.133 697 H TYR 111 H TYR 111 1.552 8.466 1.564 698 HA TYR 111 HA TYR 111 3.216 9.127 3.350 699 HB2 TYR 111 1HB TYR 111 2.337 11.267 3.289 700 HB3 TYR 111 2HB TYR 111 1.800 10.501 1.819 701 HD1 TYR 111 1HD TYR 111 -0.694 9.232 2.165 702 HD2 TYR 111 2HD TYR 111 0.806 12.656 4.327 703 HE1 TYR 111 1HE TYR 111 -3.003 9.861 2.773 704 HE2 TYR 111 2HE TYR 111 -1.516 13.331 4.864 705 HH TYR 111 HH TYR 111 -3.756 12.807 4.681 706 H LEU 112 H LEU 112 1.106 7.246 5.196 707 HA LEU 112 HA LEU 112 0.571 9.142 7.352 708 HB2 LEU 112 1HB LEU 112 -0.065 6.164 7.207 709 HB3 LEU 112 2HB LEU 112 -0.774 7.379 8.270 710 HG LEU 112 HG LEU 112 -1.132 7.068 5.270 711 HD11 LEU 112 1HD1 LEU 112 -2.441 5.546 6.731 712 HD12 LEU 112 2HD1 LEU 112 -3.147 6.957 7.548 713 HD13 LEU 112 3HD1 LEU 112 -3.472 6.672 5.822 714 HD21 LEU 112 3HD2 LEU 112 -2.727 8.950 5.389 715 HD22 LEU 112 1HD2 LEU 112 -2.131 9.316 7.031 716 HD23 LEU 112 2HD2 LEU 112 -1.039 9.414 5.622 717 H GLY 113 H GLY 113 1.759 5.792 7.724 718 HA2 GLY 113 1HA GLY 113 3.622 6.574 9.882 719 HA3 GLY 113 2HA GLY 113 3.223 4.927 9.324 720 H ALA 114 H ALA 114 4.091 7.361 7.021 721 HA ALA 114 HA ALA 114 6.104 5.736 5.834 722 HB1 ALA 114 1HB ALA 114 4.571 7.172 4.552 723 HB2 ALA 114 2HB ALA 114 5.246 8.627 5.333 724 HB3 ALA 114 3HB ALA 114 6.247 7.654 4.239 725 H LYS 115 H LYS 115 8.287 6.187 5.408 726 HA LYS 115 HA LYS 115 9.689 7.743 7.554 727 HB2 LYS 115 1HB LYS 115 10.228 4.865 6.800 728 HB3 LYS 115 2HB LYS 115 11.144 5.840 7.960 729 HG2 LYS 115 1HG LYS 115 8.984 6.132 9.278 730 HG3 LYS 115 2HG LYS 115 8.234 4.980 8.146 731 HD2 LYS 115 1HD LYS 115 10.015 3.315 8.751 732 HD3 LYS 115 2HD LYS 115 10.614 4.478 9.946 733 HE2 LYS 115 1HE LYS 115 9.192 2.792 11.030 734 HE3 LYS 115 2HE LYS 115 8.449 4.392 11.149 735 HZ1 LYS 115 3HZ LYS 115 6.892 2.592 10.486 736 HZ2 LYS 115 1HZ LYS 115 6.949 3.792 9.367 737 HZ3 LYS 115 2HZ LYS 115 7.727 2.377 9.085 738 HA PRO 116 HA PRO 116 11.936 9.310 4.148 739 HB2 PRO 116 1HB PRO 116 14.136 10.453 5.324 740 HB3 PRO 116 2HB PRO 116 12.469 11.073 5.525 741 HG2 PRO 116 1HG PRO 116 14.000 9.223 7.385 742 HG3 PRO 116 2HG PRO 116 13.108 10.723 7.805 743 HD2 PRO 116 1HD PRO 116 11.967 8.272 8.092 744 HD3 PRO 116 2HD PRO 116 11.011 9.668 7.504 745 H ARG 117 H ARG 117 13.416 8.810 2.639 746 HA ARG 117 HA ARG 117 15.423 6.649 3.152 747 HB2 ARG 117 1HB ARG 117 13.536 7.253 0.895 748 HB3 ARG 117 2HB ARG 117 15.131 6.705 0.430 749 HG2 ARG 117 1HG ARG 117 13.676 4.809 0.556 750 HG3 ARG 117 2HG ARG 117 14.922 4.688 1.804 751 HD2 ARG 117 1HD ARG 117 13.291 5.482 3.498 752 HD3 ARG 117 2HD ARG 117 12.044 5.595 2.243 753 HE ARG 117 HE ARG 117 13.023 2.958 2.121 754 HH11 ARG 117 1HH1 ARG 117 11.161 4.922 4.427 755 HH12 ARG 117 2HH1 ARG 117 10.626 3.449 5.257 756 HH21 ARG 117 1HH2 ARG 117 12.165 1.263 3.163 757 HH22 ARG 117 2HH2 ARG 117 11.132 1.518 4.603 758 H THR 118 H THR 118 15.431 9.893 3.007 759 HA THR 118 HA THR 118 18.058 10.153 1.607 760 HB THR 118 HB THR 118 15.646 11.963 1.167 761 HG1 THR 118 1HG THR 118 15.632 10.998 -0.886 762 HG21 THR 118 3HG2 THR 118 17.035 12.857 -0.717 763 HG22 THR 118 1HG2 THR 118 17.754 13.190 0.859 764 HG23 THR 118 2HG2 THR 118 18.405 11.876 -0.151 765 H ASN 119 H ASN 119 19.414 11.634 2.442 766 HA ASN 119 HA ASN 119 18.622 13.663 4.369 767 HB2 ASN 119 1HB ASN 119 18.743 11.638 5.809 768 HB3 ASN 119 2HB ASN 119 20.377 11.321 5.226 769 HD21 ASN 119 2HD2 ASN 119 21.328 11.488 7.332 770 HD22 ASN 119 1HD2 ASN 119 21.462 13.039 8.148 771 H VAL 120 H VAL 120 20.257 15.216 4.692 772 HA VAL 120 HA VAL 120 22.842 15.018 3.273 773 HB VAL 120 HB VAL 120 20.843 17.231 2.606 774 HG11 VAL 120 1HG1 VAL 120 23.154 18.092 2.668 775 HG12 VAL 120 2HG1 VAL 120 23.699 16.758 1.628 776 HG13 VAL 120 3HG1 VAL 120 22.589 17.996 1.001 777 HG21 VAL 120 3HG2 VAL 120 20.979 16.398 0.268 778 HG22 VAL 120 1HG2 VAL 120 21.932 15.007 0.825 779 HG23 VAL 120 2HG2 VAL 120 20.242 15.217 1.348 780 H GLN 121 H GLN 121 24.323 15.827 4.576 781 HA GLN 121 HA GLN 121 23.839 18.080 6.431 782 HB2 GLN 121 1HB GLN 121 24.661 15.283 7.336 783 HB3 GLN 121 2HB GLN 121 24.833 16.742 8.312 784 HG2 GLN 121 1HG GLN 121 22.362 17.099 8.206 785 HG3 GLN 121 2HG GLN 121 22.201 15.583 7.309 786 HE21 GLN 121 2HE2 GLN 121 23.190 16.931 10.503 787 HE22 GLN 121 1HE2 GLN 121 22.932 15.411 11.353 788 H5' G 7 H5' G 7 5.043 -9.128 12.258 789 H5'' G 7 H5" G 7 4.822 -9.911 10.687 790 H4' G 7 H4' G 7 6.813 -10.752 12.850 791 H3' G 7 H3' G 7 6.948 -8.982 10.467 792 H2' G 7 H2' G 7 8.174 -10.351 9.135 793 HO2' G 7 2HO G 7 9.849 -9.972 11.131 794 H1' G 7 H1' G 7 8.425 -12.623 10.983 795 H8 G 7 8H G 7 8.392 -14.667 9.537 796 H1 G 7 1H G 7 4.432 -12.034 5.182 797 H21 G 7 1H2 G 7 4.058 -9.974 5.686 798 H22 G 7 2H2 G 7 4.747 -9.243 7.142 799 HO5' G 7 H5T G 7 4.252 -11.012 13.274 800 H5' U 8 H5' U 8 7.876 -6.597 10.246 801 H5'' U 8 H5" U 8 8.793 -5.744 11.494 802 H4' U 8 H4' U 8 7.631 -4.121 10.191 803 H3' U 8 H3' U 8 7.338 -4.249 12.966 804 H2' U 8 H2' U 8 5.208 -5.138 12.941 805 HO2' U 8 2HO U 8 5.029 -2.333 12.866 806 H1' U 8 H1' U 8 4.477 -3.477 10.502 807 H3 U 8 3H U 8 0.267 -5.273 11.280 808 H5 U 8 5H U 8 2.799 -8.546 11.808 809 H6 U 8 6H U 8 4.722 -7.104 11.280 810 H5' G 9 H5' G 9 8.858 -0.464 9.390 811 H5'' G 9 H5" G 9 7.437 -1.505 9.489 812 H4' G 9 H4' G 9 10.057 -2.242 8.105 813 H3' G 9 H3' G 9 7.455 -1.072 7.146 814 H2' G 9 H2' G 9 7.554 -2.379 5.163 815 HO2' G 9 2HO G 9 10.028 -2.009 5.151 816 H1' G 9 H1' G 9 8.490 -4.679 6.360 817 H8 G 9 8H G 9 6.471 -6.072 5.847 818 H1 G 9 1H G 9 2.335 -1.832 8.401 819 H21 G 9 1H2 G 9 3.497 -0.039 9.129 820 H22 G 9 2H2 G 9 5.239 -0.007 8.899 821 H5' U 10 H5' U 10 7.675 -0.270 3.655 822 H5'' U 10 H5" U 10 9.166 0.659 3.756 823 H4' U 10 H4' U 10 7.688 1.241 1.825 824 H3' U 10 H3' U 10 9.227 3.044 3.095 825 H2' U 10 H2' U 10 7.562 3.424 4.850 826 HO2' U 10 2HO U 10 8.062 5.463 3.164 827 H1' U 10 H1' U 10 5.683 3.846 2.534 828 H3 U 10 3H U 10 1.788 4.562 4.613 829 H5 U 10 5H U 10 4.035 2.673 7.593 830 H6 U 10 6H U 10 5.888 2.459 6.020 831 H5' G 11 H5' G 11 11.713 3.331 -0.626 832 H5'' G 11 H5" G 11 10.085 3.556 -1.266 833 H4' G 11 H4' G 11 10.565 1.649 1.033 834 H3' G 11 H3' G 11 11.982 1.329 -1.350 835 H2' G 11 H2' G 11 10.305 1.034 -2.867 836 HO2' G 11 2HO G 11 10.677 -1.331 -1.496 837 H1' G 11 H1' G 11 8.138 -0.101 -1.144 838 H8 G 11 8H G 11 7.309 3.257 -1.122 839 H1 G 11 1H G 11 6.516 1.197 -7.168 840 H21 G 11 1H2 G 11 7.579 -0.792 -7.392 841 H22 G 11 2H2 G 11 8.368 -1.498 -5.988 842 H5' C 12 H5' C 12 15.108 -0.621 -2.038 843 H5'' C 12 H5" C 12 13.370 -0.891 -2.054 844 H4' C 12 H4' C 12 14.587 -2.557 0.004 845 H3' C 12 H3' C 12 16.546 -2.349 -1.830 846 HO3' C 12 H3T C 12 16.566 -4.835 -1.596 847 H2' C 12 H2' C 12 15.147 -2.634 -3.739 848 HO2' C 12 2HO C 12 16.873 -4.302 -3.726 849 H1' C 12 H1' C 12 13.930 -5.004 -2.324 850 H41 C 12 1H4 C 12 9.131 -5.050 -6.302 851 H42 C 12 2H4 C 12 9.718 -3.661 -7.213 852 H5 C 12 5H C 12 11.653 -2.384 -6.478 853 H6 C 12 6H C 12 13.412 -2.298 -4.799 Start of MODEL 10 1 H1 GLY 19 1H GLY 19 -19.841 13.233 9.261 2 H2 GLY 19 2H GLY 19 -19.798 12.981 10.877 3 H3 GLY 19 3H GLY 19 -21.119 13.668 10.191 4 HA2 GLY 19 1HA GLY 19 -19.877 15.623 9.567 5 HA3 GLY 19 2HA GLY 19 -19.815 15.344 11.317 6 H SER 20 H SER 20 -17.875 16.738 11.145 7 HA SER 20 HA SER 20 -15.417 15.209 11.133 8 HB2 SER 20 1HB SER 20 -15.755 15.641 8.668 9 HB3 SER 20 2HB SER 20 -15.663 17.375 9.012 10 HG SER 20 HG SER 20 -13.626 16.412 8.375 11 H THR 21 H THR 21 -13.522 16.882 11.331 12 HA THR 21 HA THR 21 -14.174 19.316 12.860 13 HB THR 21 HB THR 21 -14.328 17.417 14.467 14 HG1 THR 21 1HG THR 21 -12.312 19.369 14.787 15 HG21 THR 21 3HG2 THR 21 -12.294 16.359 15.306 16 HG22 THR 21 1HG2 THR 21 -12.525 15.956 13.599 17 HG23 THR 21 2HG2 THR 21 -11.311 17.167 14.068 18 H ASN 22 H ASN 22 -12.451 18.122 10.435 19 HA ASN 22 HA ASN 22 -10.360 20.139 10.604 20 HB2 ASN 22 1HB ASN 22 -9.373 18.273 11.936 21 HB3 ASN 22 2HB ASN 22 -9.626 17.181 10.576 22 HD21 ASN 22 2HD2 ASN 22 -7.443 16.702 10.109 23 HD22 ASN 22 1HD2 ASN 22 -6.297 17.933 9.607 24 H ALA 23 H ALA 23 -9.543 20.696 8.626 25 HA ALA 23 HA ALA 23 -9.812 19.149 6.199 26 HB1 ALA 23 1HB ALA 23 -12.156 19.940 6.391 27 HB2 ALA 23 2HB ALA 23 -11.587 21.615 6.567 28 HB3 ALA 23 3HB ALA 23 -11.338 20.741 5.041 29 H GLU 24 H GLU 24 -8.731 20.161 4.412 30 HA GLU 24 HA GLU 24 -7.165 22.603 4.902 31 HB2 GLU 24 1HB GLU 24 -5.915 19.868 4.388 32 HB3 GLU 24 2HB GLU 24 -5.057 21.398 4.203 33 HG2 GLU 24 1HG GLU 24 -5.515 21.915 6.616 34 HG3 GLU 24 2HG GLU 24 -6.214 20.300 6.793 35 HA PRO 25 HA PRO 25 -7.758 23.123 0.531 36 HB2 PRO 25 1HB PRO 25 -4.958 24.252 0.380 37 HB3 PRO 25 2HB PRO 25 -6.504 24.956 -0.190 38 HG2 PRO 25 1HG PRO 25 -5.369 25.811 2.102 39 HG3 PRO 25 2HG PRO 25 -7.138 25.490 2.064 40 HD2 PRO 25 1HD PRO 25 -4.920 23.640 3.022 41 HD3 PRO 25 2HD PRO 25 -6.412 24.146 3.865 42 H VAL 26 H VAL 26 -7.288 20.519 0.784 43 HA VAL 26 HA VAL 26 -5.962 19.766 -1.706 44 HB VAL 26 HB VAL 26 -4.017 19.756 -0.276 45 HG11 VAL 26 1HG1 VAL 26 -5.064 19.441 1.957 46 HG12 VAL 26 2HG1 VAL 26 -5.359 17.732 1.562 47 HG13 VAL 26 3HG1 VAL 26 -3.705 18.351 1.664 48 HG21 VAL 26 3HG2 VAL 26 -3.213 17.515 -0.669 49 HG22 VAL 26 1HG2 VAL 26 -4.863 16.884 -0.787 50 HG23 VAL 26 2HG2 VAL 26 -4.248 18.005 -2.022 51 H VAL 27 H VAL 27 -7.217 18.396 -2.662 52 HA VAL 27 HA VAL 27 -8.692 16.222 -1.480 53 HB VAL 27 HB VAL 27 -10.036 18.120 -0.597 54 HG11 VAL 27 1HG1 VAL 27 -9.693 19.763 -2.431 55 HG12 VAL 27 2HG1 VAL 27 -10.727 18.777 -3.490 56 HG13 VAL 27 3HG1 VAL 27 -11.399 19.522 -2.029 57 HG21 VAL 27 3HG2 VAL 27 -12.200 17.277 -1.154 58 HG22 VAL 27 1HG2 VAL 27 -11.613 16.544 -2.655 59 HG23 VAL 27 2HG2 VAL 27 -11.074 15.911 -1.080 60 H GLY 28 H GLY 28 -9.710 14.932 -3.055 61 HA2 GLY 28 1HA GLY 28 -10.523 14.326 -5.171 62 HA3 GLY 28 2HA GLY 28 -9.860 15.806 -5.874 63 H SER 29 H SER 29 -9.675 13.555 -7.287 64 HA SER 29 HA SER 29 -7.346 11.958 -6.966 65 HB2 SER 29 1HB SER 29 -8.821 12.648 -9.530 66 HB3 SER 29 2HB SER 29 -7.832 11.207 -9.223 67 HG SER 29 HG SER 29 -10.255 11.077 -8.993 68 H ARG 30 H ARG 30 -7.378 15.213 -7.684 69 HA ARG 30 HA ARG 30 -5.239 15.521 -9.564 70 HB2 ARG 30 1HB ARG 30 -5.235 17.820 -8.874 71 HB3 ARG 30 2HB ARG 30 -6.845 17.225 -9.281 72 HG2 ARG 30 1HG ARG 30 -7.503 17.103 -6.951 73 HG3 ARG 30 2HG ARG 30 -5.836 17.364 -6.406 74 HD2 ARG 30 1HD ARG 30 -6.913 19.469 -6.173 75 HD3 ARG 30 2HD ARG 30 -5.835 19.545 -7.577 76 HE ARG 30 HE ARG 30 -7.631 19.936 -8.948 77 HH11 ARG 30 1HH1 ARG 30 -9.002 18.635 -5.942 78 HH12 ARG 30 2HH1 ARG 30 -10.628 19.022 -6.432 79 HH21 ARG 30 1HH2 ARG 30 -9.745 20.351 -9.513 80 HH22 ARG 30 2HH2 ARG 30 -11.040 19.952 -8.428 81 H ASP 31 H ASP 31 -5.052 14.332 -6.453 82 HA ASP 31 HA ASP 31 -2.108 14.654 -6.402 83 HB2 ASP 31 1HB ASP 31 -3.967 15.322 -4.086 84 HB3 ASP 31 2HB ASP 31 -2.260 14.936 -3.893 85 H THR 32 H THR 32 -1.014 12.951 -5.538 86 HA THR 32 HA THR 32 -2.316 10.379 -5.608 87 HB THR 32 HB THR 32 -0.020 9.523 -5.143 88 HG1 THR 32 1HG THR 32 1.633 11.100 -5.027 89 HG21 THR 32 3HG2 THR 32 0.976 10.305 -7.237 90 HG22 THR 32 1HG2 THR 32 -0.766 10.071 -7.467 91 HG23 THR 32 2HG2 THR 32 -0.112 11.711 -7.278 92 H MET 33 H MET 33 -1.812 12.543 -3.045 93 HA MET 33 HA MET 33 -1.344 10.999 -0.787 94 HB2 MET 33 1HB MET 33 -1.475 13.454 -0.886 95 HB3 MET 33 2HB MET 33 -3.225 13.382 -1.125 96 HG2 MET 33 1HG MET 33 -3.574 12.482 1.079 97 HG3 MET 33 2HG MET 33 -1.853 12.216 1.320 98 HE1 MET 33 3HE MET 33 -0.363 15.585 2.198 99 HE2 MET 33 1HE MET 33 -0.206 13.818 2.230 100 HE3 MET 33 2HE MET 33 -0.242 14.681 0.677 101 H PHE 34 H PHE 34 -4.356 11.133 -2.624 102 HA PHE 34 HA PHE 34 -5.704 9.413 -0.589 103 HB2 PHE 34 1HB PHE 34 -6.994 10.959 -2.831 104 HB3 PHE 34 2HB PHE 34 -7.758 10.240 -1.405 105 HD1 PHE 34 1HD PHE 34 -6.927 11.169 0.927 106 HD2 PHE 34 2HD PHE 34 -6.652 13.240 -2.835 107 HE1 PHE 34 1HE PHE 34 -6.732 13.341 2.140 108 HE2 PHE 34 2HE PHE 34 -6.446 15.404 -1.635 109 HZ PHE 34 HZ PHE 34 -6.489 15.459 0.857 110 H THR 35 H THR 35 -4.073 8.908 -3.464 111 HA THR 35 HA THR 35 -5.858 6.621 -4.229 112 HB THR 35 HB THR 35 -5.049 6.941 -6.558 113 HG1 THR 35 1HG THR 35 -4.142 8.955 -7.048 114 HG21 THR 35 3HG2 THR 35 -6.565 8.771 -7.101 115 HG22 THR 35 1HG2 THR 35 -7.265 7.756 -5.831 116 HG23 THR 35 2HG2 THR 35 -6.556 9.334 -5.413 117 H LYS 36 H LYS 36 -2.605 7.578 -3.458 118 HA LYS 36 HA LYS 36 -1.496 4.962 -4.231 119 HB2 LYS 36 1HB LYS 36 -0.211 7.097 -4.407 120 HB3 LYS 36 2HB LYS 36 -0.294 7.268 -2.646 121 HG2 LYS 36 1HG LYS 36 0.922 5.069 -2.430 122 HG3 LYS 36 2HG LYS 36 1.044 4.994 -4.192 123 HD2 LYS 36 1HD LYS 36 2.392 7.021 -4.250 124 HD3 LYS 36 2HD LYS 36 2.140 7.298 -2.511 125 HE2 LYS 36 1HE LYS 36 3.325 5.215 -1.967 126 HE3 LYS 36 2HE LYS 36 3.514 4.839 -3.683 127 HZ1 LYS 36 3HZ LYS 36 5.508 5.810 -2.737 128 HZ2 LYS 36 1HZ LYS 36 4.918 6.779 -3.911 129 HZ3 LYS 36 2HZ LYS 36 4.721 7.193 -2.330 130 H ILE 37 H ILE 37 -1.560 3.232 -2.993 131 HA ILE 37 HA ILE 37 -2.313 3.379 -0.095 132 HB ILE 37 HB ILE 37 -3.133 1.207 -2.051 133 HG12 ILE 37 1HG1 ILE 37 -4.816 3.627 -1.286 134 HG13 ILE 37 2HG1 ILE 37 -4.139 3.310 -2.881 135 HG21 ILE 37 1HG2 ILE 37 -3.106 0.739 0.425 136 HG22 ILE 37 2HG2 ILE 37 -4.304 2.034 0.634 137 HG23 ILE 37 3HG2 ILE 37 -4.695 0.577 -0.307 138 HD11 ILE 37 3HD1 ILE 37 -6.448 2.721 -2.932 139 HD12 ILE 37 1HD1 ILE 37 -5.492 1.235 -3.062 140 HD13 ILE 37 2HD1 ILE 37 -6.288 1.662 -1.525 141 H PHE 38 H PHE 38 -0.861 2.535 1.193 142 HA PHE 38 HA PHE 38 1.245 0.647 0.302 143 HB2 PHE 38 1HB PHE 38 1.987 2.456 1.727 144 HB3 PHE 38 2HB PHE 38 0.662 2.207 2.848 145 HD1 PHE 38 2HD PHE 38 0.646 0.364 4.446 146 HD2 PHE 38 1HD PHE 38 4.043 1.014 1.845 147 HE1 PHE 38 2HE PHE 38 2.012 -1.155 5.847 148 HE2 PHE 38 1HE PHE 38 5.408 -0.429 3.307 149 HZ PHE 38 HZ PHE 38 4.407 -1.560 5.268 150 H VAL 39 H VAL 39 1.120 -1.513 0.793 151 HA VAL 39 HA VAL 39 -1.098 -2.488 2.547 152 HB VAL 39 HB VAL 39 -0.528 -3.638 -0.220 153 HG11 VAL 39 1HG1 VAL 39 -1.216 -5.427 1.195 154 HG12 VAL 39 2HG1 VAL 39 -2.360 -4.421 2.084 155 HG13 VAL 39 3HG1 VAL 39 -2.716 -4.908 0.419 156 HG21 VAL 39 3HG2 VAL 39 -2.755 -2.859 -0.829 157 HG22 VAL 39 1HG2 VAL 39 -2.929 -2.036 0.743 158 HG23 VAL 39 2HG2 VAL 39 -1.715 -1.499 -0.442 159 H GLY 40 H GLY 40 0.300 -3.004 4.172 160 HA2 GLY 40 1HA GLY 40 2.420 -5.044 3.595 161 HA3 GLY 40 2HA GLY 40 2.401 -4.057 5.029 162 H GLY 41 H GLY 41 2.766 -6.299 5.852 163 HA2 GLY 41 1HA GLY 41 1.953 -7.949 7.247 164 HA3 GLY 41 2HA GLY 41 0.298 -7.374 6.978 165 H LEU 42 H LEU 42 1.958 -8.066 4.096 166 HA LEU 42 HA LEU 42 0.154 -10.211 3.389 167 HB2 LEU 42 1HB LEU 42 2.637 -9.088 2.007 168 HB3 LEU 42 2HB LEU 42 1.496 -10.194 1.264 169 HG LEU 42 HG LEU 42 0.816 -7.365 2.191 170 HD11 LEU 42 1HD1 LEU 42 2.374 -7.402 0.273 171 HD12 LEU 42 2HD1 LEU 42 1.275 -8.475 -0.611 172 HD13 LEU 42 3HD1 LEU 42 0.772 -6.819 -0.206 173 HD21 LEU 42 3HD2 LEU 42 -1.269 -7.744 0.834 174 HD22 LEU 42 1HD2 LEU 42 -0.805 -9.446 0.652 175 HD23 LEU 42 2HD2 LEU 42 -1.174 -8.782 2.259 176 HA PRO 43 HA PRO 43 2.962 -13.610 4.357 177 HB2 PRO 43 1HB PRO 43 1.940 -15.598 2.813 178 HB3 PRO 43 2HB PRO 43 1.127 -15.017 4.295 179 HG2 PRO 43 1HG PRO 43 0.514 -14.305 1.429 180 HG3 PRO 43 2HG PRO 43 -0.628 -14.669 2.758 181 HD2 PRO 43 1HD PRO 43 0.041 -12.100 1.965 182 HD3 PRO 43 2HD PRO 43 -0.467 -12.514 3.613 183 H TYR 44 H TYR 44 4.893 -14.311 3.403 184 HA TYR 44 HA TYR 44 5.891 -12.740 1.313 185 HB2 TYR 44 1HB TYR 44 6.990 -15.344 2.418 186 HB3 TYR 44 2HB TYR 44 7.910 -14.196 1.464 187 HD1 TYR 44 1HD TYR 44 6.861 -11.596 2.871 188 HD2 TYR 44 2HD TYR 44 8.429 -15.351 4.307 189 HE1 TYR 44 1HE TYR 44 7.723 -10.465 4.908 190 HE2 TYR 44 2HE TYR 44 9.306 -14.212 6.331 191 HH TYR 44 HH TYR 44 9.590 -12.193 7.417 192 H HIS 45 H HIS 45 3.984 -15.467 0.785 193 HA HIS 45 HA HIS 45 5.110 -16.059 -1.893 194 HB2 HIS 45 1HB HIS 45 3.502 -17.908 -1.907 195 HB3 HIS 45 2HB HIS 45 4.585 -17.942 -0.524 196 HD2 HIS 45 2HD HIS 45 3.203 -19.090 1.324 197 HE1 HIS 45 1HE HIS 45 -0.391 -16.828 1.071 198 HE2 HIS 45 2HE HIS 45 0.823 -18.659 2.359 199 H THR 46 H THR 46 3.117 -13.675 -0.804 200 HA THR 46 HA THR 46 1.079 -13.576 -2.884 201 HB THR 46 HB THR 46 2.234 -11.255 -1.276 202 HG1 THR 46 1HG THR 46 1.470 -12.760 0.140 203 HG21 THR 46 3HG2 THR 46 0.016 -10.248 -1.607 204 HG22 THR 46 1HG2 THR 46 0.742 -10.580 -3.183 205 HG23 THR 46 2HG2 THR 46 -0.518 -11.656 -2.538 206 H SER 47 H SER 47 1.232 -12.796 -4.945 207 HA SER 47 HA SER 47 3.803 -11.525 -5.823 208 HB2 SER 47 1HB SER 47 1.782 -13.171 -7.381 209 HB3 SER 47 2HB SER 47 3.175 -12.338 -8.082 210 HG SER 47 HG SER 47 3.598 -14.571 -7.617 211 H ASP 48 H ASP 48 3.510 -10.078 -7.780 212 HA ASP 48 HA ASP 48 2.061 -7.778 -7.077 213 HB2 ASP 48 1HB ASP 48 2.939 -8.582 -9.879 214 HB3 ASP 48 2HB ASP 48 2.686 -6.948 -9.279 215 H LYS 49 H LYS 49 1.161 -10.354 -9.389 216 HA LYS 49 HA LYS 49 -1.364 -9.158 -10.144 217 HB2 LYS 49 1HB LYS 49 -0.006 -10.759 -11.512 218 HB3 LYS 49 2HB LYS 49 -0.458 -12.057 -10.393 219 HG2 LYS 49 1HG LYS 49 -2.864 -11.651 -10.927 220 HG3 LYS 49 2HG LYS 49 -2.402 -10.364 -12.043 221 HD2 LYS 49 1HD LYS 49 -1.613 -13.302 -12.301 222 HD3 LYS 49 2HD LYS 49 -2.949 -12.519 -13.157 223 HE2 LYS 49 1HE LYS 49 -1.335 -10.941 -14.227 224 HE3 LYS 49 2HE LYS 49 0.001 -11.772 -13.417 225 HZ1 LYS 49 3HZ LYS 49 -0.304 -12.588 -15.674 226 HZ2 LYS 49 1HZ LYS 49 -0.617 -13.796 -14.619 227 HZ3 LYS 49 2HZ LYS 49 -1.848 -13.025 -15.372 228 H THR 50 H THR 50 -0.426 -11.432 -7.560 229 HA THR 50 HA THR 50 -3.016 -12.303 -6.733 230 HB THR 50 HB THR 50 -0.707 -11.743 -4.847 231 HG1 THR 50 1HG THR 50 -1.039 -14.019 -6.509 232 HG21 THR 50 3HG2 THR 50 -1.506 -13.809 -3.740 233 HG22 THR 50 1HG2 THR 50 -2.758 -12.561 -3.778 234 HG23 THR 50 2HG2 THR 50 -2.835 -13.924 -4.914 235 H LEU 51 H LEU 51 -1.096 -9.430 -5.826 236 HA LEU 51 HA LEU 51 -3.099 -8.409 -4.023 237 HB2 LEU 51 1HB LEU 51 -0.601 -7.945 -3.975 238 HB3 LEU 51 2HB LEU 51 -0.796 -6.990 -5.440 239 HG LEU 51 HG LEU 51 -2.340 -5.440 -4.157 240 HD11 LEU 51 1HD1 LEU 51 -3.075 -6.947 -2.357 241 HD12 LEU 51 2HD1 LEU 51 -1.403 -7.081 -1.759 242 HD13 LEU 51 3HD1 LEU 51 -2.265 -5.527 -1.694 243 HD21 LEU 51 3HD2 LEU 51 -0.476 -4.381 -2.876 244 HD22 LEU 51 1HD2 LEU 51 0.493 -5.849 -3.111 245 HD23 LEU 51 2HD2 LEU 51 -0.014 -4.873 -4.514 246 H HIS 52 H HIS 52 -2.393 -7.734 -7.463 247 HA HIS 52 HA HIS 52 -4.343 -5.686 -7.831 248 HB2 HIS 52 1HB HIS 52 -2.543 -6.313 -9.454 249 HB3 HIS 52 2HB HIS 52 -3.369 -7.827 -9.771 250 HD2 HIS 52 2HD HIS 52 -3.470 -4.128 -10.710 251 HE1 HIS 52 1HE HIS 52 -6.592 -6.016 -12.894 252 HE2 HIS 52 2HE HIS 52 -5.235 -3.879 -12.636 253 H GLU 53 H GLU 53 -4.605 -9.212 -7.838 254 HA GLU 53 HA GLU 53 -7.345 -9.358 -8.757 255 HB2 GLU 53 1HB GLU 53 -5.385 -11.320 -7.543 256 HB3 GLU 53 2HB GLU 53 -7.076 -11.770 -7.807 257 HG2 GLU 53 1HG GLU 53 -6.877 -11.167 -10.205 258 HG3 GLU 53 2HG GLU 53 -5.166 -10.825 -9.982 259 H TYR 54 H TYR 54 -6.035 -8.623 -5.604 260 HA TYR 54 HA TYR 54 -8.649 -9.227 -4.323 261 HB2 TYR 54 1HB TYR 54 -6.524 -9.718 -3.113 262 HB3 TYR 54 2HB TYR 54 -6.173 -7.988 -3.082 263 HD1 TYR 54 1HD TYR 54 -8.603 -10.611 -2.014 264 HD2 TYR 54 2HD TYR 54 -7.325 -6.524 -1.503 265 HE1 TYR 54 1HE TYR 54 -10.230 -10.342 -0.157 266 HE2 TYR 54 2HE TYR 54 -8.951 -6.250 0.356 267 HH TYR 54 HH TYR 54 -11.172 -8.894 1.359 268 H PHE 55 H PHE 55 -6.660 -6.374 -5.245 269 HA PHE 55 HA PHE 55 -8.565 -4.544 -4.074 270 HB2 PHE 55 1HB PHE 55 -5.996 -4.253 -5.608 271 HB3 PHE 55 2HB PHE 55 -7.049 -2.859 -5.426 272 HD1 PHE 55 1HD PHE 55 -5.432 -5.567 -3.345 273 HD2 PHE 55 2HD PHE 55 -6.970 -1.538 -3.497 274 HE1 PHE 55 1HE PHE 55 -4.720 -5.204 -1.004 275 HE2 PHE 55 2HE PHE 55 -6.233 -1.179 -1.155 276 HZ PHE 55 HZ PHE 55 -5.145 -3.019 0.101 277 H GLU 56 H GLU 56 -8.580 -6.036 -7.183 278 HA GLU 56 HA GLU 56 -9.892 -3.939 -8.588 279 HB2 GLU 56 1HB GLU 56 -10.335 -5.592 -10.319 280 HB3 GLU 56 2HB GLU 56 -8.687 -5.633 -9.734 281 HG2 GLU 56 1HG GLU 56 -9.176 -7.868 -9.970 282 HG3 GLU 56 2HG GLU 56 -9.398 -7.624 -8.247 283 H GLN 57 H GLN 57 -11.213 -5.801 -6.082 284 HA GLN 57 HA GLN 57 -13.995 -5.620 -6.941 285 HB2 GLN 57 1HB GLN 57 -14.538 -6.518 -4.830 286 HB3 GLN 57 2HB GLN 57 -13.048 -7.325 -5.318 287 HG2 GLN 57 1HG GLN 57 -11.799 -5.604 -3.857 288 HG3 GLN 57 2HG GLN 57 -13.379 -5.093 -3.268 289 HE21 GLN 57 2HE2 GLN 57 -10.851 -7.409 -2.884 290 HE22 GLN 57 1HE2 GLN 57 -11.680 -8.397 -1.684 291 H PHE 58 H PHE 58 -11.742 -3.329 -5.641 292 HA PHE 58 HA PHE 58 -13.832 -1.642 -4.403 293 HB2 PHE 58 1HB PHE 58 -10.833 -1.223 -4.578 294 HB3 PHE 58 2HB PHE 58 -11.960 -0.364 -3.546 295 HD1 PHE 58 1HD PHE 58 -13.550 -2.280 -2.147 296 HD2 PHE 58 2HD PHE 58 -9.415 -2.579 -3.324 297 HE1 PHE 58 1HE PHE 58 -13.142 -3.897 -0.312 298 HE2 PHE 58 2HE PHE 58 -9.010 -4.206 -1.494 299 HZ PHE 58 HZ PHE 58 -10.880 -4.871 0.013 300 H GLY 59 H GLY 59 -12.323 -1.897 -7.465 301 HA2 GLY 59 1HA GLY 59 -13.580 -0.295 -9.073 302 HA3 GLY 59 2HA GLY 59 -12.781 0.973 -8.152 303 H ASP 60 H ASP 60 -11.529 1.744 -9.805 304 HA ASP 60 HA ASP 60 -10.135 -0.101 -11.628 305 HB2 ASP 60 1HB ASP 60 -10.475 2.923 -11.575 306 HB3 ASP 60 2HB ASP 60 -9.529 2.053 -12.784 307 H ILE 61 H ILE 61 -8.159 -0.792 -11.369 308 HA ILE 61 HA ILE 61 -6.247 0.528 -9.521 309 HB ILE 61 HB ILE 61 -6.048 -2.095 -11.028 310 HG12 ILE 61 1HG1 ILE 61 -6.573 -1.590 -8.060 311 HG13 ILE 61 2HG1 ILE 61 -7.843 -2.005 -9.214 312 HG21 ILE 61 1HG2 ILE 61 -3.833 -1.171 -10.587 313 HG22 ILE 61 2HG2 ILE 61 -4.283 -0.765 -8.909 314 HG23 ILE 61 3HG2 ILE 61 -4.099 -2.444 -9.426 315 HD11 ILE 61 3HD1 ILE 61 -7.141 -3.975 -7.998 316 HD12 ILE 61 1HD1 ILE 61 -6.729 -4.159 -9.703 317 HD13 ILE 61 2HD1 ILE 61 -5.476 -3.785 -8.489 318 H GLU 62 H GLU 62 -4.572 1.727 -10.170 319 HA GLU 62 HA GLU 62 -4.051 2.272 -13.029 320 HB2 GLU 62 1HB GLU 62 -4.266 4.002 -11.129 321 HB3 GLU 62 2HB GLU 62 -2.691 3.464 -10.579 322 HG2 GLU 62 1HG GLU 62 -3.328 4.609 -13.329 323 HG3 GLU 62 2HG GLU 62 -2.704 5.528 -11.959 324 H GLU 63 H GLU 63 -2.432 1.000 -10.092 325 HA GLU 63 HA GLU 63 -0.848 -0.923 -11.570 326 HB2 GLU 63 1HB GLU 63 0.545 1.115 -11.850 327 HB3 GLU 63 2HB GLU 63 0.557 1.358 -10.099 328 HG2 GLU 63 1HG GLU 63 1.830 -0.706 -9.782 329 HG3 GLU 63 2HG GLU 63 1.661 -1.118 -11.493 330 H ALA 64 H ALA 64 -0.098 -2.583 -10.147 331 HA ALA 64 HA ALA 64 -0.312 -2.214 -7.237 332 HB1 ALA 64 1HB ALA 64 -2.554 -3.000 -7.771 333 HB2 ALA 64 2HB ALA 64 -1.896 -4.308 -8.772 334 HB3 ALA 64 3HB ALA 64 -1.656 -4.330 -7.014 335 H VAL 65 H VAL 65 1.283 -3.255 -6.205 336 HA VAL 65 HA VAL 65 2.846 -5.413 -7.490 337 HB VAL 65 HB VAL 65 4.983 -4.145 -7.147 338 HG11 VAL 65 1HG1 VAL 65 3.972 -4.356 -9.409 339 HG12 VAL 65 2HG1 VAL 65 3.185 -2.775 -9.177 340 HG13 VAL 65 3HG1 VAL 65 4.951 -2.896 -9.199 341 HG21 VAL 65 3HG2 VAL 65 4.978 -1.705 -7.010 342 HG22 VAL 65 1HG2 VAL 65 3.214 -1.678 -6.861 343 HG23 VAL 65 2HG2 VAL 65 4.212 -2.401 -5.579 344 H VAL 66 H VAL 66 4.450 -6.349 -6.140 345 HA VAL 66 HA VAL 66 4.149 -5.866 -3.183 346 HB VAL 66 HB VAL 66 4.715 -8.495 -4.615 347 HG11 VAL 66 1HG1 VAL 66 6.000 -8.393 -2.506 348 HG12 VAL 66 2HG1 VAL 66 4.544 -7.875 -1.625 349 HG13 VAL 66 3HG1 VAL 66 4.638 -9.499 -2.331 350 HG21 VAL 66 3HG2 VAL 66 2.591 -9.230 -3.573 351 HG22 VAL 66 1HG2 VAL 66 2.338 -7.601 -2.911 352 HG23 VAL 66 2HG2 VAL 66 2.312 -7.872 -4.666 353 H ILE 67 H ILE 67 6.061 -5.586 -2.038 354 HA ILE 67 HA ILE 67 8.387 -4.809 -3.648 355 HB ILE 67 HB ILE 67 8.016 -4.807 -0.632 356 HG12 ILE 67 1HG1 ILE 67 6.445 -3.224 -1.515 357 HG13 ILE 67 2HG1 ILE 67 7.826 -2.342 -0.903 358 HG21 ILE 67 1HG2 ILE 67 10.380 -4.861 -1.173 359 HG22 ILE 67 2HG2 ILE 67 10.173 -3.618 -2.422 360 HG23 ILE 67 3HG2 ILE 67 9.958 -3.211 -0.707 361 HD11 ILE 67 3HD1 ILE 67 7.173 -1.255 -2.872 362 HD12 ILE 67 1HD1 ILE 67 8.675 -2.107 -3.274 363 HD13 ILE 67 2HD1 ILE 67 7.112 -2.767 -3.810 364 H THR 68 H THR 68 9.444 -6.372 -4.539 365 HA THR 68 HA THR 68 10.632 -8.556 -2.907 366 HB THR 68 HB THR 68 10.738 -9.813 -5.098 367 HG1 THR 68 1HG THR 68 9.233 -9.122 -6.686 368 HG21 THR 68 3HG2 THR 68 8.388 -10.560 -5.038 369 HG22 THR 68 1HG2 THR 68 9.050 -10.379 -3.411 370 HG23 THR 68 2HG2 THR 68 7.947 -9.143 -4.059 371 H ASP 69 H ASP 69 12.761 -8.715 -2.936 372 HA ASP 69 HA ASP 69 14.307 -6.512 -3.612 373 HB2 ASP 69 1HB ASP 69 14.869 -8.188 -1.923 374 HB3 ASP 69 2HB ASP 69 15.194 -9.365 -3.197 375 H ARG 70 H ARG 70 15.603 -5.813 -5.253 376 HA ARG 70 HA ARG 70 15.092 -6.693 -7.857 377 HB2 ARG 70 1HB ARG 70 16.815 -5.143 -8.596 378 HB3 ARG 70 2HB ARG 70 15.745 -4.425 -7.394 379 HG2 ARG 70 1HG ARG 70 17.416 -4.587 -5.667 380 HG3 ARG 70 2HG ARG 70 18.468 -5.593 -6.671 381 HD2 ARG 70 1HD ARG 70 18.861 -3.761 -8.230 382 HD3 ARG 70 2HD ARG 70 17.703 -2.744 -7.379 383 HE ARG 70 HE ARG 70 19.154 -2.562 -5.507 384 HH11 ARG 70 1HH1 ARG 70 20.796 -4.287 -8.140 385 HH12 ARG 70 2HH1 ARG 70 22.371 -3.904 -7.512 386 HH21 ARG 70 1HH2 ARG 70 21.176 -2.166 -4.742 387 HH22 ARG 70 2HH2 ARG 70 22.584 -2.754 -5.577 388 H ASN 71 H ASN 71 17.459 -8.058 -5.701 389 HA ASN 71 HA ASN 71 18.892 -9.421 -7.958 390 HB2 ASN 71 1HB ASN 71 19.811 -8.887 -5.111 391 HB3 ASN 71 2HB ASN 71 20.758 -9.652 -6.379 392 HD21 ASN 71 2HD2 ASN 71 20.980 -7.014 -4.741 393 HD22 ASN 71 1HD2 ASN 71 21.343 -5.836 -5.991 394 H THR 72 H THR 72 17.243 -9.980 -4.860 395 HA THR 72 HA THR 72 17.537 -12.955 -5.180 396 HB THR 72 HB THR 72 16.927 -12.973 -2.686 397 HG1 THR 72 1HG THR 72 17.650 -10.247 -2.905 398 HG21 THR 72 3HG2 THR 72 19.195 -12.369 -1.969 399 HG22 THR 72 1HG2 THR 72 19.264 -13.283 -3.486 400 HG23 THR 72 2HG2 THR 72 19.494 -11.520 -3.500 401 H GLN 73 H GLN 73 15.145 -10.501 -5.319 402 HA GLN 73 HA GLN 73 12.914 -10.483 -5.546 403 HB2 GLN 73 1HB GLN 73 13.485 -13.270 -6.612 404 HB3 GLN 73 2HB GLN 73 11.892 -12.536 -6.695 405 HG2 GLN 73 1HG GLN 73 14.345 -11.152 -7.855 406 HG3 GLN 73 2HG GLN 73 13.368 -12.304 -8.759 407 HE21 GLN 73 2HE2 GLN 73 13.347 -9.019 -7.324 408 HE22 GLN 73 1HE2 GLN 73 11.837 -8.555 -8.096 409 H LYS 74 H LYS 74 14.084 -11.700 -2.906 410 HA LYS 74 HA LYS 74 11.844 -13.193 -1.892 411 HB2 LYS 74 1HB LYS 74 13.058 -13.504 -0.040 412 HB3 LYS 74 2HB LYS 74 14.367 -13.085 -1.132 413 HG2 LYS 74 1HG LYS 74 13.105 -11.213 0.905 414 HG3 LYS 74 2HG LYS 74 14.605 -12.141 1.095 415 HD2 LYS 74 1HD LYS 74 15.775 -10.899 -0.489 416 HD3 LYS 74 2HD LYS 74 14.310 -10.189 -1.162 417 HE2 LYS 74 1HE LYS 74 15.456 -8.480 0.084 418 HE3 LYS 74 2HE LYS 74 13.970 -8.900 0.943 419 HZ1 LYS 74 3HZ LYS 74 15.883 -8.742 2.447 420 HZ2 LYS 74 1HZ LYS 74 15.317 -10.274 2.449 421 HZ3 LYS 74 2HZ LYS 74 16.684 -9.905 1.630 422 H SER 75 H SER 75 9.979 -12.539 -0.898 423 HA SER 75 HA SER 75 9.165 -9.744 -1.152 424 HB2 SER 75 1HB SER 75 7.527 -11.505 -1.456 425 HB3 SER 75 2HB SER 75 7.824 -12.107 0.189 426 HG SER 75 HG SER 75 5.952 -10.600 -0.175 427 H ARG 76 H ARG 76 9.013 -8.178 0.331 428 HA ARG 76 HA ARG 76 10.233 -8.600 3.002 429 HB2 ARG 76 1HB ARG 76 9.399 -6.083 1.536 430 HB3 ARG 76 2HB ARG 76 10.103 -6.165 3.166 431 HG2 ARG 76 1HG ARG 76 12.065 -7.455 2.101 432 HG3 ARG 76 2HG ARG 76 11.444 -6.911 0.539 433 HD2 ARG 76 1HD ARG 76 11.802 -4.627 1.049 434 HD3 ARG 76 2HD ARG 76 11.858 -4.916 2.782 435 HE ARG 76 HE ARG 76 14.055 -5.416 0.840 436 HH11 ARG 76 1HH1 ARG 76 13.086 -5.561 4.253 437 HH12 ARG 76 2HH1 ARG 76 14.739 -5.651 4.781 438 HH21 ARG 76 1HH2 ARG 76 16.069 -5.486 1.563 439 HH22 ARG 76 2HH2 ARG 76 16.434 -5.602 3.274 440 H GLY 77 H GLY 77 7.172 -9.103 1.903 441 HA2 GLY 77 1HA GLY 77 5.307 -9.632 3.217 442 HA3 GLY 77 2HA GLY 77 6.004 -8.749 4.598 443 H TYR 78 H TYR 78 6.043 -6.827 1.803 444 HA TYR 78 HA TYR 78 3.315 -5.845 2.009 445 HB2 TYR 78 1HB TYR 78 3.898 -3.600 2.601 446 HB3 TYR 78 2HB TYR 78 4.665 -4.637 3.787 447 HD1 TYR 78 2HD TYR 78 7.180 -5.203 3.453 448 HD2 TYR 78 1HD TYR 78 5.138 -2.019 1.377 449 HE1 TYR 78 2HE TYR 78 9.346 -4.073 3.044 450 HE2 TYR 78 1HE TYR 78 7.316 -0.866 1.019 451 HH TYR 78 HH TYR 78 10.406 -2.272 2.198 452 H GLY 79 H GLY 79 2.776 -4.188 0.547 453 HA2 GLY 79 1HA GLY 79 4.335 -3.882 -1.962 454 HA3 GLY 79 2HA GLY 79 2.732 -4.619 -2.010 455 H PHE 80 H PHE 80 2.681 -2.698 -3.497 456 HA PHE 80 HA PHE 80 1.244 -0.502 -2.134 457 HB2 PHE 80 1HB PHE 80 3.593 -0.242 -4.007 458 HB3 PHE 80 2HB PHE 80 2.291 0.921 -4.132 459 HD1 PHE 80 2HD PHE 80 1.735 2.475 -2.359 460 HD2 PHE 80 1HD PHE 80 5.047 -0.265 -1.946 461 HE1 PHE 80 2HE PHE 80 2.613 3.821 -0.465 462 HE2 PHE 80 1HE PHE 80 5.921 1.107 -0.064 463 HZ PHE 80 HZ PHE 80 4.726 3.157 0.654 464 H VAL 81 H VAL 81 -0.451 0.309 -3.192 465 HA VAL 81 HA VAL 81 -1.144 -0.680 -5.927 466 HB VAL 81 HB VAL 81 -3.113 -0.499 -3.602 467 HG11 VAL 81 1HG1 VAL 81 -4.170 0.097 -5.729 468 HG12 VAL 81 2HG1 VAL 81 -3.513 -1.357 -6.501 469 HG13 VAL 81 3HG1 VAL 81 -4.729 -1.495 -5.215 470 HG21 VAL 81 3HG2 VAL 81 -3.367 -2.965 -3.896 471 HG22 VAL 81 1HG2 VAL 81 -1.989 -2.949 -5.016 472 HG23 VAL 81 2HG2 VAL 81 -1.772 -2.498 -3.309 473 H THR 82 H THR 82 -1.807 0.959 -7.238 474 HA THR 82 HA THR 82 -2.613 3.570 -6.012 475 HB THR 82 HB THR 82 -1.144 3.208 -8.648 476 HG1 THR 82 1HG THR 82 0.558 4.145 -7.484 477 HG21 THR 82 3HG2 THR 82 -0.956 5.691 -8.523 478 HG22 THR 82 1HG2 THR 82 -2.644 5.182 -8.636 479 HG23 THR 82 2HG2 THR 82 -1.980 5.696 -7.070 480 H MET 83 H MET 83 -4.577 4.227 -6.553 481 HA MET 83 HA MET 83 -6.145 2.618 -8.526 482 HB2 MET 83 1HB MET 83 -7.186 4.543 -6.436 483 HB3 MET 83 2HB MET 83 -8.106 3.390 -7.380 484 HG2 MET 83 1HG MET 83 -6.032 2.715 -5.270 485 HG3 MET 83 2HG MET 83 -7.770 2.609 -5.082 486 HE1 MET 83 3HE MET 83 -8.819 -0.458 -7.139 487 HE2 MET 83 1HE MET 83 -9.284 0.758 -5.926 488 HE3 MET 83 2HE MET 83 -8.902 1.257 -7.590 489 H LYS 84 H LYS 84 -7.415 3.599 -10.144 490 HA LYS 84 HA LYS 84 -6.175 5.893 -11.402 491 HB2 LYS 84 1HB LYS 84 -8.716 4.337 -12.016 492 HB3 LYS 84 2HB LYS 84 -8.116 5.659 -13.007 493 HG2 LYS 84 1HG LYS 84 -5.900 4.316 -13.178 494 HG3 LYS 84 2HG LYS 84 -6.850 2.941 -12.573 495 HD2 LYS 84 1HD LYS 84 -8.460 3.273 -14.487 496 HD3 LYS 84 2HD LYS 84 -7.495 4.644 -15.022 497 HE2 LYS 84 1HE LYS 84 -6.819 2.940 -16.443 498 HE3 LYS 84 2HE LYS 84 -5.512 3.050 -15.264 499 HZ1 LYS 84 3HZ LYS 84 -6.197 0.752 -15.732 500 HZ2 LYS 84 1HZ LYS 84 -6.431 1.087 -14.157 501 HZ3 LYS 84 2HZ LYS 84 -7.709 1.043 -15.190 502 H ASP 85 H ASP 85 -8.724 5.734 -9.072 503 HA ASP 85 HA ASP 85 -9.021 8.654 -9.138 504 HB2 ASP 85 1HB ASP 85 -10.708 7.755 -10.781 505 HB3 ASP 85 2HB ASP 85 -11.463 6.871 -9.453 506 H ARG 86 H ARG 86 -9.884 9.532 -7.304 507 HA ARG 86 HA ARG 86 -9.268 8.346 -4.821 508 HB2 ARG 86 1HB ARG 86 -9.496 10.803 -5.496 509 HB3 ARG 86 2HB ARG 86 -11.240 10.623 -5.267 510 HG2 ARG 86 1HG ARG 86 -10.806 10.012 -2.856 511 HG3 ARG 86 2HG ARG 86 -9.085 10.112 -3.180 512 HD2 ARG 86 1HD ARG 86 -9.314 12.496 -3.760 513 HD3 ARG 86 2HD ARG 86 -11.059 12.425 -3.496 514 HE ARG 86 HE ARG 86 -8.943 12.650 -1.509 515 HH11 ARG 86 1HH2 ARG 86 -12.302 11.568 -1.837 516 HH12 ARG 86 2HH2 ARG 86 -12.632 11.844 -0.155 517 HH21 ARG 86 1HH1 ARG 86 -9.433 12.967 0.624 518 HH22 ARG 86 2HH1 ARG 86 -11.025 12.609 1.220 519 H ALA 87 H ALA 87 -12.352 8.341 -6.619 520 HA ALA 87 HA ALA 87 -13.961 7.321 -4.460 521 HB1 ALA 87 1HB ALA 87 -14.870 8.521 -6.424 522 HB2 ALA 87 2HB ALA 87 -14.388 7.169 -7.475 523 HB3 ALA 87 3HB ALA 87 -15.622 6.928 -6.221 524 H SER 88 H SER 88 -11.698 5.698 -6.610 525 HA SER 88 HA SER 88 -12.754 2.994 -5.910 526 HB2 SER 88 1HB SER 88 -10.312 3.833 -7.506 527 HB3 SER 88 2HB SER 88 -10.898 2.179 -7.262 528 HG SER 88 HG SER 88 -12.202 4.298 -8.666 529 H ALA 89 H ALA 89 -10.147 5.217 -4.938 530 HA ALA 89 HA ALA 89 -8.832 3.260 -3.225 531 HB1 ALA 89 1HB ALA 89 -7.618 5.119 -4.275 532 HB2 ALA 89 2HB ALA 89 -8.632 6.293 -3.408 533 HB3 ALA 89 3HB ALA 89 -7.522 5.234 -2.510 534 H GLU 90 H GLU 90 -11.285 5.848 -2.615 535 HA GLU 90 HA GLU 90 -11.239 5.539 0.214 536 HB2 GLU 90 1HB GLU 90 -13.239 6.753 0.292 537 HB3 GLU 90 2HB GLU 90 -12.251 7.434 -1.014 538 HG2 GLU 90 1HG GLU 90 -13.623 6.259 -2.661 539 HG3 GLU 90 2HG GLU 90 -14.611 5.572 -1.381 540 H ARG 91 H ARG 91 -13.054 3.819 -2.273 541 HA ARG 91 HA ARG 91 -14.512 2.059 -0.523 542 HB2 ARG 91 1HB ARG 91 -13.742 1.915 -3.452 543 HB3 ARG 91 2HB ARG 91 -14.605 0.597 -2.647 544 HG2 ARG 91 1HG ARG 91 -16.396 2.146 -1.951 545 HG3 ARG 91 2HG ARG 91 -15.595 3.482 -2.788 546 HD2 ARG 91 1HD ARG 91 -16.505 0.911 -4.153 547 HD3 ARG 91 2HD ARG 91 -17.505 2.369 -4.033 548 HE ARG 91 HE ARG 91 -15.217 3.364 -5.106 549 HH11 ARG 91 1HH1 ARG 91 -17.309 0.712 -6.172 550 HH12 ARG 91 2HH1 ARG 91 -16.885 0.931 -7.843 551 HH21 ARG 91 1HH2 ARG 91 -14.695 3.568 -7.266 552 HH22 ARG 91 2HH2 ARG 91 -15.424 2.533 -8.452 553 H ALA 92 H ALA 92 -11.160 1.954 -1.603 554 HA ALA 92 HA ALA 92 -10.770 -0.836 -0.783 555 HB1 ALA 92 1HB ALA 92 -9.542 0.213 -2.692 556 HB2 ALA 92 2HB ALA 92 -8.739 1.305 -1.544 557 HB3 ALA 92 3HB ALA 92 -8.470 -0.444 -1.446 558 H CYS 93 H CYS 93 -10.224 2.357 0.708 559 HA CYS 93 HA CYS 93 -8.696 1.242 2.905 560 HB2 CYS 93 1HB CYS 93 -8.482 3.461 3.665 561 HB3 CYS 93 2HB CYS 93 -8.477 3.569 1.901 562 HG CYS 93 HG CYS 93 -11.226 3.990 1.851 563 H LYS 94 H LYS 94 -11.969 0.962 2.396 564 HA LYS 94 HA LYS 94 -13.150 1.564 4.899 565 HB2 LYS 94 1HB LYS 94 -13.896 -0.590 2.870 566 HB3 LYS 94 2HB LYS 94 -14.935 -0.003 4.155 567 HG2 LYS 94 1HG LYS 94 -13.957 1.563 1.747 568 HG3 LYS 94 2HG LYS 94 -15.588 0.968 2.038 569 HD2 LYS 94 1HD LYS 94 -15.737 2.495 4.040 570 HD3 LYS 94 2HD LYS 94 -14.145 3.159 3.595 571 HE2 LYS 94 1HE LYS 94 -15.044 3.773 1.355 572 HE3 LYS 94 2HE LYS 94 -16.637 3.170 1.832 573 HZ1 LYS 94 3HZ LYS 94 -16.467 5.571 2.132 574 HZ2 LYS 94 1HZ LYS 94 -16.670 4.858 3.588 575 HZ3 LYS 94 2HZ LYS 94 -15.194 5.410 3.145 576 H ASP 95 H ASP 95 -11.284 -1.248 4.034 577 HA ASP 95 HA ASP 95 -11.596 -2.326 6.808 578 HB2 ASP 95 1HB ASP 95 -12.858 -3.715 5.274 579 HB3 ASP 95 2HB ASP 95 -11.448 -3.910 4.232 580 HA PRO 96 HA PRO 96 -7.145 -1.618 6.250 581 HB2 PRO 96 1HB PRO 96 -6.367 -1.528 8.851 582 HB3 PRO 96 2HB PRO 96 -7.288 -0.201 8.076 583 HG2 PRO 96 1HG PRO 96 -8.372 -2.471 9.779 584 HG3 PRO 96 2HG PRO 96 -8.700 -0.715 9.942 585 HD2 PRO 96 1HD PRO 96 -10.378 -2.404 8.602 586 HD3 PRO 96 2HD PRO 96 -10.125 -0.715 8.063 587 H ASN 97 H ASN 97 -8.743 -4.403 7.651 588 HA ASN 97 HA ASN 97 -6.224 -5.986 7.475 589 HB2 ASN 97 1HB ASN 97 -8.272 -6.206 9.697 590 HB3 ASN 97 2HB ASN 97 -6.866 -7.225 9.468 591 HD21 ASN 97 2HD2 ASN 97 -4.702 -5.657 9.113 592 HD22 ASN 97 1HD2 ASN 97 -4.536 -4.587 10.483 593 HA PRO 98 HA PRO 98 -9.631 -7.893 4.988 594 HB2 PRO 98 1HB PRO 98 -8.341 -8.103 2.591 595 HB3 PRO 98 2HB PRO 98 -9.110 -6.582 3.163 596 HG2 PRO 98 1HG PRO 98 -6.199 -7.413 3.339 597 HG3 PRO 98 2HG PRO 98 -6.875 -5.870 2.737 598 HD2 PRO 98 1HD PRO 98 -5.937 -6.163 5.284 599 HD3 PRO 98 2HD PRO 98 -7.357 -5.148 4.932 600 H ILE 99 H ILE 99 -6.470 -9.034 5.774 601 HA ILE 99 HA ILE 99 -5.510 -11.090 5.967 602 HB ILE 99 HB ILE 99 -8.167 -12.437 5.666 603 HG12 ILE 99 1HG1 ILE 99 -8.735 -10.672 7.173 604 HG13 ILE 99 2HG1 ILE 99 -8.596 -12.168 8.070 605 HG21 ILE 99 1HG2 ILE 99 -6.189 -13.883 5.905 606 HG22 ILE 99 2HG2 ILE 99 -5.702 -13.022 7.371 607 HG23 ILE 99 3HG2 ILE 99 -7.197 -13.978 7.349 608 HD11 ILE 99 3HD1 ILE 99 -7.667 -10.340 9.356 609 HD12 ILE 99 1HD1 ILE 99 -6.341 -11.423 8.899 610 HD13 ILE 99 2HD1 ILE 99 -6.592 -9.878 8.034 611 H ILE 100 H ILE 100 -4.769 -10.286 3.758 612 HA ILE 100 HA ILE 100 -5.785 -11.639 1.375 613 HB ILE 100 HB ILE 100 -3.383 -9.854 1.852 614 HG12 ILE 100 1HG1 ILE 100 -5.867 -9.367 0.145 615 HG13 ILE 100 2HG1 ILE 100 -5.844 -8.987 1.853 616 HG21 ILE 100 1HG2 ILE 100 -2.764 -11.367 0.013 617 HG22 ILE 100 2HG2 ILE 100 -4.322 -11.071 -0.790 618 HG23 ILE 100 3HG2 ILE 100 -3.117 -9.776 -0.641 619 HD11 ILE 100 3HD1 ILE 100 -5.375 -6.978 0.610 620 HD12 ILE 100 1HD1 ILE 100 -3.911 -7.446 1.497 621 HD13 ILE 100 2HD1 ILE 100 -4.034 -7.747 -0.252 622 H ASP 101 H ASP 101 -5.424 -13.604 0.833 623 HA ASP 101 HA ASP 101 -4.632 -15.651 0.575 624 HB2 ASP 101 1HB ASP 101 -2.929 -14.057 -0.637 625 HB3 ASP 101 2HB ASP 101 -1.793 -14.633 0.568 626 H GLY 102 H GLY 102 -4.916 -14.770 3.368 627 HA2 GLY 102 1HA GLY 102 -5.078 -16.206 5.203 628 HA3 GLY 102 2HA GLY 102 -3.790 -17.234 4.546 629 H ARG 103 H ARG 103 -3.477 -13.717 5.118 630 HA ARG 103 HA ARG 103 -2.370 -14.084 7.792 631 HB2 ARG 103 1HB ARG 103 -0.379 -14.492 6.200 632 HB3 ARG 103 2HB ARG 103 -0.543 -12.793 5.732 633 HG2 ARG 103 1HG ARG 103 -0.316 -12.208 8.202 634 HG3 ARG 103 2HG ARG 103 0.076 -13.901 8.499 635 HD2 ARG 103 1HD ARG 103 2.056 -13.702 7.033 636 HD3 ARG 103 2HD ARG 103 1.646 -12.027 6.661 637 HE ARG 103 HE ARG 103 3.047 -12.965 8.988 638 HH11 ARG 103 1HH1 ARG 103 0.862 -10.312 8.061 639 HH12 ARG 103 2HH1 ARG 103 1.236 -9.458 9.540 640 HH21 ARG 103 1HH2 ARG 103 3.328 -11.855 10.860 641 HH22 ARG 103 2HH2 ARG 103 2.588 -10.279 11.034 642 H LYS 104 H LYS 104 -2.530 -12.169 9.014 643 HA LYS 104 HA LYS 104 -4.391 -10.228 8.088 644 HB2 LYS 104 1HB LYS 104 -4.110 -10.857 10.449 645 HB3 LYS 104 2HB LYS 104 -2.537 -10.039 10.484 646 HG2 LYS 104 1HG LYS 104 -3.661 -7.887 9.863 647 HG3 LYS 104 2HG LYS 104 -5.224 -8.706 9.846 648 HD2 LYS 104 1HD LYS 104 -3.406 -8.498 12.283 649 HD3 LYS 104 2HD LYS 104 -4.710 -7.360 11.903 650 HE2 LYS 104 1HE LYS 104 -6.372 -9.180 11.975 651 HE3 LYS 104 2HE LYS 104 -5.099 -10.355 12.342 652 HZ1 LYS 104 3HZ LYS 104 -6.230 -9.626 14.354 653 HZ2 LYS 104 1HZ LYS 104 -4.670 -9.146 14.409 654 HZ3 LYS 104 2HZ LYS 104 -5.850 -8.063 14.074 655 H ALA 105 H ALA 105 -3.987 -9.044 6.401 656 HA ALA 105 HA ALA 105 -1.511 -7.587 5.927 657 HB1 ALA 105 1HB ALA 105 -2.824 -8.508 4.068 658 HB2 ALA 105 2HB ALA 105 -4.213 -7.499 4.532 659 HB3 ALA 105 3HB ALA 105 -2.717 -6.745 3.949 660 H ASN 106 H ASN 106 -1.572 -5.237 5.597 661 HA ASN 106 HA ASN 106 -3.319 -3.717 7.485 662 HB2 ASN 106 1HB ASN 106 -0.294 -3.539 7.204 663 HB3 ASN 106 2HB ASN 106 -1.290 -2.422 8.134 664 HD21 ASN 106 2HD2 ASN 106 0.784 -4.887 8.597 665 HD22 ASN 106 1HD2 ASN 106 0.050 -5.647 10.007 666 H VAL 107 H VAL 107 -4.531 -2.755 5.977 667 HA VAL 107 HA VAL 107 -3.319 -1.543 3.528 668 HB VAL 107 HB VAL 107 -6.217 -2.142 4.247 669 HG11 VAL 107 1HG1 VAL 107 -6.174 -0.184 2.759 670 HG12 VAL 107 2HG1 VAL 107 -5.031 -1.004 1.673 671 HG13 VAL 107 3HG1 VAL 107 -6.696 -1.599 1.846 672 HG21 VAL 107 3HG2 VAL 107 -6.038 -3.818 2.431 673 HG22 VAL 107 1HG2 VAL 107 -4.320 -3.435 2.256 674 HG23 VAL 107 2HG2 VAL 107 -4.913 -4.177 3.755 675 H ASN 108 H ASN 108 -3.038 0.577 3.366 676 HA ASN 108 HA ASN 108 -4.921 2.509 4.418 677 HB2 ASN 108 1HB ASN 108 -3.304 3.717 5.859 678 HB3 ASN 108 2HB ASN 108 -3.762 2.157 6.504 679 HD21 ASN 108 2HD2 ASN 108 -1.072 3.967 4.942 680 HD22 ASN 108 1HD2 ASN 108 0.151 2.856 5.538 681 H LEU 109 H LEU 109 -4.463 4.707 3.777 682 HA LEU 109 HA LEU 109 -3.182 5.074 1.218 683 HB2 LEU 109 1HB LEU 109 -3.914 7.070 3.404 684 HB3 LEU 109 2HB LEU 109 -3.412 7.499 1.770 685 HG LEU 109 HG LEU 109 -5.932 5.917 2.444 686 HD11 LEU 109 1HD1 LEU 109 -6.063 8.246 3.222 687 HD12 LEU 109 2HD1 LEU 109 -5.588 8.828 1.614 688 HD13 LEU 109 3HD1 LEU 109 -7.133 7.980 1.836 689 HD21 LEU 109 3HD2 LEU 109 -6.539 6.405 0.059 690 HD22 LEU 109 1HD2 LEU 109 -4.896 7.040 -0.199 691 HD23 LEU 109 2HD2 LEU 109 -5.148 5.331 0.212 692 H ALA 110 H ALA 110 -1.214 5.874 0.700 693 HA ALA 110 HA ALA 110 1.080 5.168 2.047 694 HB1 ALA 110 1HB ALA 110 0.973 5.775 -0.281 695 HB2 ALA 110 2HB ALA 110 0.722 7.490 0.104 696 HB3 ALA 110 3HB ALA 110 2.268 6.694 0.510 697 H TYR 111 H TYR 111 1.026 8.772 1.833 698 HA TYR 111 HA TYR 111 2.559 9.678 3.601 699 HB2 TYR 111 1HB TYR 111 1.375 11.657 3.574 700 HB3 TYR 111 2HB TYR 111 0.941 10.831 2.102 701 HD1 TYR 111 2HD TYR 111 -1.326 9.291 2.327 702 HD2 TYR 111 1HD TYR 111 -0.320 12.690 4.791 703 HE1 TYR 111 2HE TYR 111 -3.708 9.572 2.919 704 HE2 TYR 111 1HE TYR 111 -2.721 13.007 5.332 705 HH TYR 111 HH TYR 111 -4.871 12.231 5.029 706 H LEU 112 H LEU 112 0.606 7.534 5.457 707 HA LEU 112 HA LEU 112 -0.075 9.394 7.599 708 HB2 LEU 112 1HB LEU 112 -0.385 6.364 7.571 709 HB3 LEU 112 2HB LEU 112 -1.222 7.541 8.580 710 HG LEU 112 HG LEU 112 -1.541 7.044 5.606 711 HD11 LEU 112 1HD1 LEU 112 -2.722 5.500 7.163 712 HD12 LEU 112 2HD1 LEU 112 -3.581 6.894 7.853 713 HD13 LEU 112 3HD1 LEU 112 -3.822 6.460 6.144 714 HD21 LEU 112 3HD2 LEU 112 -3.318 8.766 5.629 715 HD22 LEU 112 1HD2 LEU 112 -2.750 9.286 7.239 716 HD23 LEU 112 2HD2 LEU 112 -1.681 9.400 5.814 717 H GLY 113 H GLY 113 1.546 6.225 7.927 718 HA2 GLY 113 1HA GLY 113 3.440 7.283 9.960 719 HA3 GLY 113 2HA GLY 113 3.179 5.581 9.491 720 H ALA 114 H ALA 114 3.495 7.849 6.919 721 HA ALA 114 HA ALA 114 5.707 6.438 5.795 722 HB1 ALA 114 1HB ALA 114 3.876 7.438 4.462 723 HB2 ALA 114 2HB ALA 114 4.405 9.067 4.964 724 HB3 ALA 114 3HB ALA 114 5.453 8.053 3.951 725 H LYS 115 H LYS 115 7.695 7.205 5.123 726 HA LYS 115 HA LYS 115 9.039 9.168 6.937 727 HB2 LYS 115 1HB LYS 115 9.621 6.260 6.369 728 HB3 LYS 115 2HB LYS 115 10.869 7.357 6.977 729 HG2 LYS 115 1HG LYS 115 9.430 8.012 8.879 730 HG3 LYS 115 2HG LYS 115 8.163 6.904 8.333 731 HD2 LYS 115 1HD LYS 115 10.971 6.021 9.033 732 HD3 LYS 115 2HD LYS 115 9.622 6.077 10.192 733 HE2 LYS 115 1HE LYS 115 8.280 4.608 8.658 734 HE3 LYS 115 2HE LYS 115 9.687 4.452 7.603 735 HZ1 LYS 115 3HZ LYS 115 9.439 2.601 9.107 736 HZ2 LYS 115 1HZ LYS 115 10.863 3.369 9.406 737 HZ3 LYS 115 2HZ LYS 115 9.590 3.563 10.430 738 HA PRO 116 HA PRO 116 11.049 10.732 3.352 739 HB2 PRO 116 1HB PRO 116 13.490 11.592 4.253 740 HB3 PRO 116 2HB PRO 116 11.941 12.367 4.701 741 HG2 PRO 116 1HG PRO 116 13.515 10.304 6.274 742 HG3 PRO 116 2HG PRO 116 12.824 11.852 6.860 743 HD2 PRO 116 1HD PRO 116 11.530 9.496 7.213 744 HD3 PRO 116 2HD PRO 116 10.620 10.984 6.826 745 H ARG 117 H ARG 117 12.289 10.136 1.646 746 HA ARG 117 HA ARG 117 13.763 7.561 1.813 747 HB2 ARG 117 1HB ARG 117 11.683 7.742 0.451 748 HB3 ARG 117 2HB ARG 117 12.433 8.997 -0.523 749 HG2 ARG 117 1HG ARG 117 12.357 6.843 -1.658 750 HG3 ARG 117 2HG ARG 117 14.017 7.386 -1.462 751 HD2 ARG 117 1HD ARG 117 14.352 5.812 0.398 752 HD3 ARG 117 2HD ARG 117 12.633 5.363 0.350 753 HE ARG 117 HE ARG 117 13.797 4.958 -2.226 754 HH11 ARG 117 1HH1 ARG 117 13.891 3.415 0.981 755 HH12 ARG 117 2HH1 ARG 117 14.076 1.825 0.244 756 HH21 ARG 117 1HH2 ARG 117 14.087 2.824 -2.998 757 HH22 ARG 117 2HH2 ARG 117 14.153 1.521 -1.815 758 H THR 118 H THR 118 14.440 10.759 1.786 759 HA THR 118 HA THR 118 17.141 10.554 0.613 760 HB THR 118 HB THR 118 16.767 12.730 -0.602 761 HG1 THR 118 1HG THR 118 14.608 13.306 -0.996 762 HG21 THR 118 3HG2 THR 118 15.735 11.797 -2.566 763 HG22 THR 118 1HG2 THR 118 16.712 10.529 -1.809 764 HG23 THR 118 2HG2 THR 118 14.943 10.516 -1.630 765 H ASN 119 H ASN 119 18.404 12.575 1.052 766 HA ASN 119 HA ASN 119 17.593 14.231 3.306 767 HB2 ASN 119 1HB ASN 119 18.324 12.032 4.343 768 HB3 ASN 119 2HB ASN 119 19.922 12.293 3.654 769 HD21 ASN 119 2HD2 ASN 119 20.496 12.078 6.045 770 HD22 ASN 119 1HD2 ASN 119 20.435 13.547 7.004 771 H VAL 120 H VAL 120 19.284 15.805 3.865 772 HA VAL 120 HA VAL 120 21.530 16.360 2.214 773 HB VAL 120 HB VAL 120 19.871 16.836 0.459 774 HG11 VAL 120 1HG1 VAL 120 17.980 17.637 1.868 775 HG12 VAL 120 2HG1 VAL 120 18.868 19.150 2.162 776 HG13 VAL 120 3HG1 VAL 120 18.360 18.719 0.522 777 HG21 VAL 120 3HG2 VAL 120 20.739 18.944 -0.303 778 HG22 VAL 120 1HG2 VAL 120 21.259 19.393 1.329 779 HG23 VAL 120 2HG2 VAL 120 22.040 18.036 0.485 780 H GLN 121 H GLN 121 19.024 17.756 4.360 781 HA GLN 121 HA GLN 121 21.041 18.923 6.113 782 HB2 GLN 121 1HB GLN 121 20.783 20.638 4.303 783 HB3 GLN 121 2HB GLN 121 19.052 20.720 4.654 784 HG2 GLN 121 1HG GLN 121 19.550 21.536 6.945 785 HG3 GLN 121 2HG GLN 121 21.277 21.327 6.649 786 HE21 GLN 121 2HE2 GLN 121 21.937 23.521 6.834 787 HE22 GLN 121 1HE2 GLN 121 21.336 24.771 5.752 788 H5' G 7 H5' G 7 7.659 -9.441 13.088 789 H5'' G 7 H5" G 7 6.302 -9.730 11.993 790 H4' G 7 H4' G 7 8.111 -11.923 13.055 791 H3' G 7 H3' G 7 8.208 -10.491 10.377 792 H2' G 7 H2' G 7 9.210 -12.500 9.570 793 HO2' G 7 2HO G 7 10.687 -12.691 11.468 794 H1' G 7 H1' G 7 7.736 -14.076 11.460 795 H8 G 7 8H G 7 7.628 -15.767 9.647 796 H1 G 7 1H G 7 4.497 -11.861 5.582 797 H21 G 7 1H2 G 7 4.415 -9.833 6.427 798 H22 G 7 2H2 G 7 5.137 -9.471 7.988 799 HO5' G 7 H5T G 7 5.441 -11.181 13.622 800 H5' U 8 H5' U 8 10.111 -7.398 8.690 801 H5'' U 8 H5" U 8 11.241 -6.926 9.962 802 H4' U 8 H4' U 8 9.903 -5.044 9.427 803 H3' U 8 H3' U 8 10.082 -5.971 12.059 804 H2' U 8 H2' U 8 7.954 -7.014 11.970 805 HO2' U 8 2HO U 8 7.740 -4.399 13.028 806 H1' U 8 H1' U 8 7.003 -4.522 10.503 807 H3 U 8 3H U 8 2.799 -5.974 11.441 808 H5 U 8 5H U 8 4.787 -9.516 10.340 809 H6 U 8 6H U 8 6.812 -8.181 9.979 810 H5' G 9 H5' G 9 10.141 -0.946 9.473 811 H5'' G 9 H5" G 9 8.857 -2.093 9.899 812 H4' G 9 H4' G 9 10.617 -2.465 7.447 813 H3' G 9 H3' G 9 8.009 -0.944 7.698 814 H2' G 9 H2' G 9 7.534 -1.710 5.451 815 HO2' G 9 2HO G 9 9.978 -1.323 5.004 816 H1' G 9 H1' G 9 8.731 -4.222 5.827 817 H8 G 9 8H G 9 6.831 -5.913 5.761 818 H1 G 9 1H G 9 2.633 -1.899 8.555 819 H21 G 9 1H2 G 9 3.726 0.010 9.116 820 H22 G 9 2H2 G 9 5.436 0.157 8.744 821 H5' U 10 H5' U 10 7.754 0.081 3.953 822 H5'' U 10 H5" U 10 9.268 0.978 4.032 823 H4' U 10 H4' U 10 7.789 1.743 2.218 824 H3' U 10 H3' U 10 9.204 3.449 3.875 825 H2' U 10 H2' U 10 7.381 3.950 5.290 826 HO2' U 10 2HO U 10 7.462 5.784 3.133 827 H1' U 10 H1' U 10 5.647 4.082 2.807 828 H3 U 10 3H U 10 1.752 4.965 4.889 829 H5 U 10 5H U 10 3.967 3.097 7.908 830 H6 U 10 6H U 10 5.807 2.783 6.330 831 H5' G 11 H5' G 11 10.207 2.256 2.253 832 H5'' G 11 H5" G 11 11.705 2.161 1.362 833 H4' G 11 H4' G 11 10.020 0.340 0.970 834 H3' G 11 H3' G 11 11.675 1.685 -0.964 835 H2' G 11 H2' G 11 10.087 2.117 -2.470 836 HO2' G 11 2HO G 11 10.580 -0.574 -2.569 837 H1' G 11 H1' G 11 7.983 0.192 -1.395 838 H8 G 11 8H G 11 7.492 3.683 -0.588 839 H1 G 11 1H G 11 5.619 2.541 -6.646 840 H21 G 11 1H2 G 11 6.326 0.478 -7.225 841 H22 G 11 2H2 G 11 7.225 -0.482 -6.059 842 H5' C 12 H5' C 12 13.753 -1.987 -2.156 843 H5'' C 12 H5" C 12 12.258 -2.906 -2.041 844 H4' C 12 H4' C 12 13.382 -4.851 -1.203 845 H3' C 12 H3' C 12 15.121 -3.348 0.220 846 HO3' C 12 H3T C 12 16.215 -5.621 -1.095 847 H2' C 12 H2' C 12 16.004 -2.139 -1.600 848 HO2' C 12 2HO C 12 18.137 -3.009 -2.051 849 H1' C 12 H1' C 12 16.505 -4.582 -3.260 850 H41 C 12 1H4 C 12 16.904 0.666 -6.949 851 H42 C 12 2H4 C 12 15.209 0.462 -7.393 852 H5 C 12 5H C 12 13.819 -1.242 -6.354 853 H6 C 12 6H C 12 13.766 -3.000 -4.694 Start of MODEL 11 1 H1 GLY 19 1H GLY 19 6.368 19.280 14.660 2 H2 GLY 19 2H GLY 19 5.371 19.965 13.557 3 H3 GLY 19 3H GLY 19 5.533 18.335 13.611 4 HA2 GLY 19 1HA GLY 19 7.837 18.477 12.937 5 HA3 GLY 19 2HA GLY 19 6.753 19.201 11.735 6 H SER 20 H SER 20 9.604 19.747 12.275 7 HA SER 20 HA SER 20 9.510 22.638 13.106 8 HB2 SER 20 1HB SER 20 11.712 20.604 13.582 9 HB3 SER 20 2HB SER 20 11.685 22.289 14.131 10 HG SER 20 HG SER 20 11.041 20.816 15.789 11 H THR 21 H THR 21 9.797 20.990 10.334 12 HA THR 21 HA THR 21 12.271 21.890 9.198 13 HB THR 21 HB THR 21 9.746 21.123 7.682 14 HG1 THR 21 1HG THR 21 10.516 18.990 7.916 15 HG21 THR 21 3HG2 THR 21 11.382 20.171 6.072 16 HG22 THR 21 1HG2 THR 21 11.647 21.903 6.275 17 HG23 THR 21 2HG2 THR 21 12.726 20.745 7.083 18 H ASN 22 H ASN 22 12.772 23.649 7.986 19 HA ASN 22 HA ASN 22 11.224 26.037 8.378 20 HB2 ASN 22 1HB ASN 22 13.731 25.526 6.725 21 HB3 ASN 22 2HB ASN 22 13.101 27.115 7.152 22 HD21 ASN 22 2HD2 ASN 22 13.139 27.792 9.434 23 HD22 ASN 22 1HD2 ASN 22 14.258 27.009 10.534 24 H ALA 23 H ALA 23 10.590 23.726 6.127 25 HA ALA 23 HA ALA 23 9.017 25.411 4.370 26 HB1 ALA 23 1HB ALA 23 11.272 25.711 3.354 27 HB2 ALA 23 2HB ALA 23 11.462 23.948 3.250 28 HB3 ALA 23 3HB ALA 23 10.220 24.774 2.286 29 H GLU 24 H GLU 24 7.967 24.006 2.636 30 HA GLU 24 HA GLU 24 7.575 21.165 3.471 31 HB2 GLU 24 1HB GLU 24 5.390 23.209 2.969 32 HB3 GLU 24 2HB GLU 24 5.146 21.459 3.052 33 HG2 GLU 24 1HG GLU 24 6.049 21.453 5.376 34 HG3 GLU 24 2HG GLU 24 6.215 23.211 5.307 35 HA PRO 25 HA PRO 25 8.438 21.059 -0.992 36 HB2 PRO 25 1HB PRO 25 8.044 18.109 -0.468 37 HB3 PRO 25 2HB PRO 25 9.309 18.926 -1.438 38 HG2 PRO 25 1HG PRO 25 9.872 18.040 1.055 39 HG3 PRO 25 2HG PRO 25 10.446 19.660 0.537 40 HD2 PRO 25 1HD PRO 25 8.009 18.976 2.208 41 HD3 PRO 25 2HD PRO 25 9.254 20.236 2.476 42 H VAL 26 H VAL 26 7.069 21.174 -2.693 43 HA VAL 26 HA VAL 26 4.752 19.521 -3.088 44 HB VAL 26 HB VAL 26 3.765 21.042 -1.416 45 HG11 VAL 26 1HG1 VAL 26 5.130 23.092 -1.837 46 HG12 VAL 26 2HG1 VAL 26 4.238 23.344 -3.355 47 HG13 VAL 26 3HG1 VAL 26 3.388 23.398 -1.802 48 HG21 VAL 26 3HG2 VAL 26 1.768 21.646 -2.625 49 HG22 VAL 26 1HG2 VAL 26 2.616 21.572 -4.179 50 HG23 VAL 26 2HG2 VAL 26 2.369 20.092 -3.224 51 H VAL 27 H VAL 27 4.198 19.475 -5.207 52 HA VAL 27 HA VAL 27 5.029 21.566 -7.104 53 HB VAL 27 HB VAL 27 6.080 19.916 -8.651 54 HG11 VAL 27 1HG1 VAL 27 7.451 21.487 -7.298 55 HG12 VAL 27 2HG1 VAL 27 7.657 20.213 -6.070 56 HG13 VAL 27 3HG1 VAL 27 8.293 19.983 -7.707 57 HG21 VAL 27 3HG2 VAL 27 7.058 17.829 -7.794 58 HG22 VAL 27 1HG2 VAL 27 6.264 18.069 -6.227 59 HG23 VAL 27 2HG2 VAL 27 5.298 17.780 -7.691 60 H GLY 28 H GLY 28 3.846 21.600 -8.974 61 HA2 GLY 28 1HA GLY 28 2.207 21.077 -10.526 62 HA3 GLY 28 2HA GLY 28 2.098 19.448 -9.839 63 H SER 29 H SER 29 -0.174 20.177 -10.614 64 HA SER 29 HA SER 29 -1.735 21.578 -8.510 65 HB2 SER 29 1HB SER 29 -3.514 21.521 -10.247 66 HB3 SER 29 2HB SER 29 -2.035 22.337 -10.773 67 HG SER 29 HG SER 29 -2.834 20.897 -12.384 68 H ARG 30 H ARG 30 -0.776 18.452 -8.937 69 HA ARG 30 HA ARG 30 -3.162 17.247 -7.634 70 HB2 ARG 30 1HB ARG 30 -1.815 16.188 -10.160 71 HB3 ARG 30 2HB ARG 30 -3.010 15.311 -9.198 72 HG2 ARG 30 1HG ARG 30 -4.691 17.094 -9.668 73 HG3 ARG 30 2HG ARG 30 -3.504 17.913 -10.704 74 HD2 ARG 30 1HD ARG 30 -3.348 15.889 -12.127 75 HD3 ARG 30 2HD ARG 30 -4.576 15.093 -11.144 76 HE ARG 30 HE ARG 30 -4.940 17.228 -13.128 77 HH11 ARG 30 1HH1 ARG 30 -6.545 15.544 -10.460 78 HH12 ARG 30 2HH1 ARG 30 -8.129 16.023 -10.995 79 HH21 ARG 30 1HH2 ARG 30 -7.003 17.807 -13.757 80 HH22 ARG 30 2HH2 ARG 30 -8.381 17.288 -12.833 81 H ASP 31 H ASP 31 -2.728 15.188 -6.664 82 HA ASP 31 HA ASP 31 0.003 14.225 -6.308 83 HB2 ASP 31 1HB ASP 31 -0.555 16.263 -4.659 84 HB3 ASP 31 2HB ASP 31 -1.381 15.000 -3.754 85 H THR 32 H THR 32 -0.045 12.378 -4.596 86 HA THR 32 HA THR 32 -2.360 10.622 -5.312 87 HB THR 32 HB THR 32 -0.753 8.781 -5.369 88 HG1 THR 32 1HG THR 32 0.832 9.582 -3.972 89 HG21 THR 32 3HG2 THR 32 0.385 9.393 -7.427 90 HG22 THR 32 1HG2 THR 32 -1.249 10.083 -7.433 91 HG23 THR 32 2HG2 THR 32 0.152 11.125 -7.099 92 H MET 33 H MET 33 -1.420 12.195 -2.671 93 HA MET 33 HA MET 33 -1.329 10.357 -0.531 94 HB2 MET 33 1HB MET 33 -2.440 13.175 -0.762 95 HB3 MET 33 2HB MET 33 -2.376 12.286 0.769 96 HG2 MET 33 1HG MET 33 0.023 11.901 0.494 97 HG3 MET 33 2HG MET 33 0.030 12.805 -1.018 98 HE1 MET 33 3HE MET 33 2.065 14.713 1.759 99 HE2 MET 33 1HE MET 33 1.725 12.964 1.691 100 HE3 MET 33 2HE MET 33 2.142 13.839 0.207 101 H PHE 34 H PHE 34 -3.964 10.803 -2.650 102 HA PHE 34 HA PHE 34 -5.877 9.494 -0.762 103 HB2 PHE 34 1HB PHE 34 -6.587 11.269 -3.097 104 HB3 PHE 34 2HB PHE 34 -7.640 10.740 -1.788 105 HD1 PHE 34 1HD PHE 34 -6.578 11.478 0.688 106 HD2 PHE 34 2HD PHE 34 -6.005 13.485 -3.081 107 HE1 PHE 34 1HE PHE 34 -6.026 13.580 1.891 108 HE2 PHE 34 2HE PHE 34 -5.450 15.591 -1.877 109 HZ PHE 34 HZ PHE 34 -5.457 15.637 0.612 110 H THR 35 H THR 35 -3.946 8.638 -3.276 111 HA THR 35 HA THR 35 -5.900 6.673 -4.378 112 HB THR 35 HB THR 35 -5.074 7.061 -6.651 113 HG1 THR 35 1HG THR 35 -3.888 8.953 -7.040 114 HG21 THR 35 3HG2 THR 35 -6.344 9.028 -7.161 115 HG22 THR 35 1HG2 THR 35 -7.161 8.185 -5.834 116 HG23 THR 35 2HG2 THR 35 -6.191 9.641 -5.501 117 H LYS 36 H LYS 36 -2.525 7.434 -3.686 118 HA LYS 36 HA LYS 36 -1.648 4.728 -4.470 119 HB2 LYS 36 1HB LYS 36 -0.197 6.653 -4.857 120 HB3 LYS 36 2HB LYS 36 -0.186 7.034 -3.125 121 HG2 LYS 36 1HG LYS 36 0.980 4.937 -2.631 122 HG3 LYS 36 2HG LYS 36 0.826 4.412 -4.317 123 HD2 LYS 36 1HD LYS 36 2.233 6.305 -5.052 124 HD3 LYS 36 2HD LYS 36 2.369 6.870 -3.372 125 HE2 LYS 36 1HE LYS 36 3.471 4.753 -2.729 126 HE3 LYS 36 2HE LYS 36 3.286 4.132 -4.374 127 HZ1 LYS 36 3HZ LYS 36 5.494 5.036 -3.948 128 HZ2 LYS 36 1HZ LYS 36 4.760 5.853 -5.159 129 HZ3 LYS 36 2HZ LYS 36 4.884 6.530 -3.665 130 H ILE 37 H ILE 37 -1.250 3.076 -3.109 131 HA ILE 37 HA ILE 37 -1.988 3.298 -0.224 132 HB ILE 37 HB ILE 37 -3.027 1.146 -2.103 133 HG12 ILE 37 1HG1 ILE 37 -4.524 3.668 -1.276 134 HG13 ILE 37 2HG1 ILE 37 -3.984 3.265 -2.908 135 HG21 ILE 37 1HG2 ILE 37 -2.897 0.661 0.350 136 HG22 ILE 37 2HG2 ILE 37 -3.983 2.034 0.650 137 HG23 ILE 37 3HG2 ILE 37 -4.535 0.622 -0.278 138 HD11 ILE 37 3HD1 ILE 37 -6.306 2.819 -2.810 139 HD12 ILE 37 1HD1 ILE 37 -5.463 1.264 -2.911 140 HD13 ILE 37 2HD1 ILE 37 -6.139 1.824 -1.355 141 H PHE 38 H PHE 38 -0.503 2.402 0.997 142 HA PHE 38 HA PHE 38 1.456 0.373 0.095 143 HB2 PHE 38 1HB PHE 38 2.346 2.075 1.555 144 HB3 PHE 38 2HB PHE 38 0.982 1.965 2.643 145 HD1 PHE 38 2HD PHE 38 0.716 0.040 4.203 146 HD2 PHE 38 1HD PHE 38 4.292 0.533 1.812 147 HE1 PHE 38 2HE PHE 38 1.909 -1.555 5.664 148 HE2 PHE 38 1HE PHE 38 5.484 -0.981 3.361 149 HZ PHE 38 HZ PHE 38 4.311 -2.087 5.223 150 H VAL 39 H VAL 39 1.240 -1.765 0.639 151 HA VAL 39 HA VAL 39 -0.988 -2.615 2.441 152 HB VAL 39 HB VAL 39 -0.514 -3.885 -0.293 153 HG11 VAL 39 1HG1 VAL 39 -1.367 -5.449 1.397 154 HG12 VAL 39 2HG1 VAL 39 -2.608 -4.298 1.896 155 HG13 VAL 39 3HG1 VAL 39 -2.680 -5.036 0.287 156 HG21 VAL 39 3HG2 VAL 39 -2.641 -2.953 -1.001 157 HG22 VAL 39 1HG2 VAL 39 -2.795 -2.045 0.525 158 HG23 VAL 39 2HG2 VAL 39 -1.512 -1.662 -0.649 159 H GLY 40 H GLY 40 0.398 -3.222 4.035 160 HA2 GLY 40 1HA GLY 40 2.450 -5.323 3.397 161 HA3 GLY 40 2HA GLY 40 2.533 -4.296 4.806 162 H GLY 41 H GLY 41 2.871 -6.620 5.584 163 HA2 GLY 41 1HA GLY 41 2.098 -8.402 6.844 164 HA3 GLY 41 2HA GLY 41 0.465 -7.686 6.821 165 H LEU 42 H LEU 42 2.047 -8.291 3.798 166 HA LEU 42 HA LEU 42 0.079 -10.298 2.969 167 HB2 LEU 42 1HB LEU 42 2.587 -9.219 1.595 168 HB3 LEU 42 2HB LEU 42 1.373 -10.238 0.841 169 HG LEU 42 HG LEU 42 0.911 -7.395 1.854 170 HD11 LEU 42 1HD1 LEU 42 2.352 -7.530 -0.158 171 HD12 LEU 42 2HD1 LEU 42 1.109 -8.490 -0.985 172 HD13 LEU 42 3HD1 LEU 42 0.777 -6.807 -0.524 173 HD21 LEU 42 3HD2 LEU 42 -1.263 -7.618 0.585 174 HD22 LEU 42 1HD2 LEU 42 -0.941 -9.354 0.424 175 HD23 LEU 42 2HD2 LEU 42 -1.173 -8.629 2.032 176 HA PRO 43 HA PRO 43 2.850 -13.700 4.049 177 HB2 PRO 43 1HB PRO 43 1.823 -15.729 2.572 178 HB3 PRO 43 2HB PRO 43 1.015 -15.093 4.037 179 HG2 PRO 43 1HG PRO 43 0.407 -14.466 1.150 180 HG3 PRO 43 2HG PRO 43 -0.743 -14.803 2.479 181 HD2 PRO 43 1HD PRO 43 -0.074 -12.247 1.635 182 HD3 PRO 43 2HD PRO 43 -0.570 -12.620 3.303 183 H TYR 44 H TYR 44 4.758 -14.531 3.093 184 HA TYR 44 HA TYR 44 5.823 -12.928 1.056 185 HB2 TYR 44 1HB TYR 44 6.843 -15.603 2.060 186 HB3 TYR 44 2HB TYR 44 7.795 -14.429 1.172 187 HD1 TYR 44 2HD TYR 44 7.088 -11.845 2.520 188 HD2 TYR 44 1HD TYR 44 7.936 -15.755 4.130 189 HE1 TYR 44 2HE TYR 44 7.865 -10.806 4.638 190 HE2 TYR 44 1HE TYR 44 8.729 -14.713 6.241 191 HH TYR 44 HH TYR 44 8.721 -11.159 6.742 192 H HIS 45 H HIS 45 3.864 -15.625 0.475 193 HA HIS 45 HA HIS 45 4.949 -16.134 -2.242 194 HB2 HIS 45 1HB HIS 45 3.366 -18.027 -2.250 195 HB3 HIS 45 2HB HIS 45 4.545 -18.077 -0.947 196 HD2 HIS 45 2HD HIS 45 3.439 -19.115 1.112 197 HE1 HIS 45 1HE HIS 45 -0.367 -17.219 0.975 198 HE2 HIS 45 2HE HIS 45 1.102 -18.835 2.287 199 H THR 46 H THR 46 2.684 -13.973 -0.950 200 HA THR 46 HA THR 46 0.812 -13.821 -3.182 201 HB THR 46 HB THR 46 1.656 -11.841 -1.033 202 HG1 THR 46 1HG THR 46 -0.566 -12.403 -0.438 203 HG21 THR 46 3HG2 THR 46 -0.277 -10.481 -1.627 204 HG22 THR 46 1HG2 THR 46 0.779 -10.571 -3.035 205 HG23 THR 46 2HG2 THR 46 -0.696 -11.565 -2.957 206 H SER 47 H SER 47 1.082 -12.886 -5.135 207 HA SER 47 HA SER 47 3.702 -11.552 -5.738 208 HB2 SER 47 1HB SER 47 1.827 -13.126 -7.542 209 HB3 SER 47 2HB SER 47 3.318 -12.322 -8.048 210 HG SER 47 HG SER 47 3.113 -14.445 -6.145 211 H ASP 48 H ASP 48 3.578 -10.067 -7.675 212 HA ASP 48 HA ASP 48 2.065 -7.778 -7.146 213 HB2 ASP 48 1HB ASP 48 3.126 -8.616 -9.872 214 HB3 ASP 48 2HB ASP 48 2.908 -6.981 -9.266 215 H LYS 49 H LYS 49 1.362 -10.413 -9.438 216 HA LYS 49 HA LYS 49 -1.113 -9.323 -10.466 217 HB2 LYS 49 1HB LYS 49 0.297 -10.923 -11.682 218 HB3 LYS 49 2HB LYS 49 0.036 -12.150 -10.433 219 HG2 LYS 49 1HG LYS 49 -2.353 -12.233 -10.964 220 HG3 LYS 49 2HG LYS 49 -2.172 -10.925 -12.150 221 HD2 LYS 49 1HD LYS 49 -0.670 -12.333 -13.499 222 HD3 LYS 49 2HD LYS 49 -0.773 -13.642 -12.317 223 HE2 LYS 49 1HE LYS 49 -3.168 -12.499 -13.834 224 HE3 LYS 49 2HE LYS 49 -2.229 -13.890 -14.384 225 HZ1 LYS 49 3HZ LYS 49 -4.171 -14.611 -13.164 226 HZ2 LYS 49 1HZ LYS 49 -2.837 -15.036 -12.320 227 HZ3 LYS 49 2HZ LYS 49 -3.755 -13.766 -11.832 228 H THR 50 H THR 50 -0.379 -11.584 -7.781 229 HA THR 50 HA THR 50 -3.030 -12.370 -7.093 230 HB THR 50 HB THR 50 -0.806 -11.863 -5.095 231 HG1 THR 50 1HG THR 50 -1.100 -14.143 -6.752 232 HG21 THR 50 3HG2 THR 50 -1.709 -13.899 -4.001 233 HG22 THR 50 1HG2 THR 50 -2.930 -12.629 -4.114 234 HG23 THR 50 2HG2 THR 50 -2.980 -14.000 -5.240 235 H LEU 51 H LEU 51 -1.064 -9.580 -6.020 236 HA LEU 51 HA LEU 51 -3.112 -8.533 -4.299 237 HB2 LEU 51 1HB LEU 51 -0.601 -8.177 -4.124 238 HB3 LEU 51 2HB LEU 51 -0.693 -7.167 -5.560 239 HG LEU 51 HG LEU 51 -2.251 -5.615 -4.282 240 HD11 LEU 51 1HD1 LEU 51 -3.066 -7.152 -2.546 241 HD12 LEU 51 2HD1 LEU 51 -1.412 -7.369 -1.929 242 HD13 LEU 51 3HD1 LEU 51 -2.217 -5.792 -1.807 243 HD21 LEU 51 3HD2 LEU 51 -0.406 -4.623 -2.936 244 HD22 LEU 51 1HD2 LEU 51 0.541 -6.107 -3.166 245 HD23 LEU 51 2HD2 LEU 51 0.105 -5.095 -4.565 246 H HIS 52 H HIS 52 -2.273 -7.805 -7.700 247 HA HIS 52 HA HIS 52 -4.133 -5.651 -8.042 248 HB2 HIS 52 1HB HIS 52 -2.316 -6.271 -9.649 249 HB3 HIS 52 2HB HIS 52 -3.170 -7.752 -10.032 250 HD2 HIS 52 2HD HIS 52 -3.340 -3.950 -10.664 251 HE1 HIS 52 1HE HIS 52 -6.239 -5.764 -13.194 252 HE2 HIS 52 2HE HIS 52 -5.024 -3.595 -12.646 253 H GLU 53 H GLU 53 -4.485 -9.168 -8.197 254 HA GLU 53 HA GLU 53 -7.262 -9.135 -9.092 255 HB2 GLU 53 1HB GLU 53 -5.349 -11.296 -8.166 256 HB3 GLU 53 2HB GLU 53 -7.063 -11.632 -8.472 257 HG2 GLU 53 1HG GLU 53 -6.791 -10.640 -10.777 258 HG3 GLU 53 2HG GLU 53 -5.053 -10.563 -10.493 259 H TYR 54 H TYR 54 -5.821 -8.662 -5.987 260 HA TYR 54 HA TYR 54 -8.335 -9.384 -4.590 261 HB2 TYR 54 1HB TYR 54 -6.066 -9.834 -3.588 262 HB3 TYR 54 2HB TYR 54 -5.844 -8.093 -3.430 263 HD1 TYR 54 1HD TYR 54 -7.680 -11.060 -2.248 264 HD2 TYR 54 2HD TYR 54 -7.287 -6.783 -1.848 265 HE1 TYR 54 1HE TYR 54 -9.159 -11.116 -0.252 266 HE2 TYR 54 2HE TYR 54 -8.776 -6.834 0.140 267 HH TYR 54 HH TYR 54 -10.246 -9.881 1.352 268 H PHE 55 H PHE 55 -6.450 -6.425 -5.425 269 HA PHE 55 HA PHE 55 -8.366 -4.717 -4.101 270 HB2 PHE 55 1HB PHE 55 -5.842 -4.269 -5.670 271 HB3 PHE 55 2HB PHE 55 -6.926 -2.916 -5.392 272 HD1 PHE 55 1HD PHE 55 -5.314 -5.730 -3.452 273 HD2 PHE 55 2HD PHE 55 -6.697 -1.644 -3.444 274 HE1 PHE 55 1HE PHE 55 -4.602 -5.489 -1.105 275 HE2 PHE 55 2HE PHE 55 -5.943 -1.408 -1.085 276 HZ PHE 55 HZ PHE 55 -4.957 -3.347 0.104 277 H GLU 56 H GLU 56 -8.463 -6.041 -7.273 278 HA GLU 56 HA GLU 56 -9.912 -3.905 -8.495 279 HB2 GLU 56 1HB GLU 56 -10.404 -5.471 -10.290 280 HB3 GLU 56 2HB GLU 56 -8.720 -5.469 -9.810 281 HG2 GLU 56 1HG GLU 56 -9.122 -7.705 -10.147 282 HG3 GLU 56 2HG GLU 56 -9.249 -7.569 -8.403 283 H GLN 57 H GLN 57 -10.999 -5.949 -6.014 284 HA GLN 57 HA GLN 57 -13.837 -5.809 -6.654 285 HB2 GLN 57 1HB GLN 57 -14.204 -6.764 -4.538 286 HB3 GLN 57 2HB GLN 57 -12.719 -7.508 -5.123 287 HG2 GLN 57 1HG GLN 57 -11.445 -5.777 -3.702 288 HG3 GLN 57 2HG GLN 57 -13.002 -5.309 -3.027 289 HE21 GLN 57 2HE2 GLN 57 -10.448 -7.668 -2.902 290 HE22 GLN 57 1HE2 GLN 57 -11.171 -8.642 -1.624 291 H PHE 58 H PHE 58 -11.536 -3.509 -5.440 292 HA PHE 58 HA PHE 58 -13.578 -1.838 -4.104 293 HB2 PHE 58 1HB PHE 58 -10.596 -1.386 -4.432 294 HB3 PHE 58 2HB PHE 58 -11.679 -0.540 -3.346 295 HD1 PHE 58 2HD PHE 58 -13.162 -2.474 -1.853 296 HD2 PHE 58 1HD PHE 58 -9.097 -2.721 -3.261 297 HE1 PHE 58 2HE PHE 58 -12.626 -4.074 -0.036 298 HE2 PHE 58 1HE PHE 58 -8.562 -4.328 -1.446 299 HZ PHE 58 HZ PHE 58 -10.333 -5.008 0.170 300 H GLY 59 H GLY 59 -12.151 -2.092 -7.226 301 HA2 GLY 59 1HA GLY 59 -13.535 -0.541 -8.788 302 HA3 GLY 59 2HA GLY 59 -12.726 0.754 -7.917 303 H ASP 60 H ASP 60 -11.507 1.561 -9.532 304 HA ASP 60 HA ASP 60 -10.151 -0.224 -11.460 305 HB2 ASP 60 1HB ASP 60 -10.700 2.760 -11.355 306 HB3 ASP 60 2HB ASP 60 -9.726 1.983 -12.608 307 H ILE 61 H ILE 61 -8.036 -0.571 -11.602 308 HA ILE 61 HA ILE 61 -6.174 0.713 -9.638 309 HB ILE 61 HB ILE 61 -5.984 -1.943 -11.078 310 HG12 ILE 61 1HG1 ILE 61 -6.485 -1.434 -8.110 311 HG13 ILE 61 2HG1 ILE 61 -7.785 -1.802 -9.242 312 HG21 ILE 61 1HG2 ILE 61 -3.770 -1.051 -10.637 313 HG22 ILE 61 2HG2 ILE 61 -4.226 -0.585 -8.977 314 HG23 ILE 61 3HG2 ILE 61 -4.062 -2.278 -9.428 315 HD11 ILE 61 3HD1 ILE 61 -7.147 -3.812 -8.098 316 HD12 ILE 61 1HD1 ILE 61 -6.708 -3.972 -9.800 317 HD13 ILE 61 2HD1 ILE 61 -5.466 -3.657 -8.560 318 H GLU 62 H GLU 62 -4.457 1.885 -10.328 319 HA GLU 62 HA GLU 62 -3.921 2.373 -13.190 320 HB2 GLU 62 1HB GLU 62 -2.759 3.386 -10.576 321 HB3 GLU 62 2HB GLU 62 -1.933 3.673 -12.096 322 HG2 GLU 62 1HG GLU 62 -4.801 4.473 -11.709 323 HG3 GLU 62 2HG GLU 62 -3.489 5.481 -11.126 324 H GLU 63 H GLU 63 -2.312 0.927 -10.330 325 HA GLU 63 HA GLU 63 -0.786 -1.023 -11.817 326 HB2 GLU 63 1HB GLU 63 0.536 1.056 -12.256 327 HB3 GLU 63 2HB GLU 63 0.688 1.321 -10.518 328 HG2 GLU 63 1HG GLU 63 2.024 -0.711 -10.283 329 HG3 GLU 63 2HG GLU 63 1.703 -1.166 -11.961 330 H ALA 64 H ALA 64 0.147 -2.562 -10.381 331 HA ALA 64 HA ALA 64 -0.005 -2.144 -7.475 332 HB1 ALA 64 1HB ALA 64 -2.218 -3.083 -8.034 333 HB2 ALA 64 2HB ALA 64 -1.439 -4.403 -8.925 334 HB3 ALA 64 3HB ALA 64 -1.245 -4.291 -7.166 335 H VAL 65 H VAL 65 1.507 -3.311 -6.364 336 HA VAL 65 HA VAL 65 3.261 -5.257 -7.736 337 HB VAL 65 HB VAL 65 5.313 -4.002 -7.143 338 HG11 VAL 65 1HG1 VAL 65 4.414 -3.863 -9.451 339 HG12 VAL 65 2HG1 VAL 65 3.575 -2.354 -9.012 340 HG13 VAL 65 3HG1 VAL 65 5.344 -2.437 -8.968 341 HG21 VAL 65 3HG2 VAL 65 5.258 -1.606 -6.629 342 HG22 VAL 65 1HG2 VAL 65 3.487 -1.636 -6.541 343 HG23 VAL 65 2HG2 VAL 65 4.466 -2.534 -5.357 344 H VAL 66 H VAL 66 4.782 -6.295 -6.353 345 HA VAL 66 HA VAL 66 4.371 -5.976 -3.392 346 HB VAL 66 HB VAL 66 4.789 -8.567 -4.935 347 HG11 VAL 66 1HG1 VAL 66 6.156 -8.658 -2.883 348 HG12 VAL 66 2HG1 VAL 66 4.776 -8.087 -1.914 349 HG13 VAL 66 3HG1 VAL 66 4.731 -9.676 -2.696 350 HG21 VAL 66 3HG2 VAL 66 2.654 -9.222 -3.845 351 HG22 VAL 66 1HG2 VAL 66 2.542 -7.621 -3.087 352 HG23 VAL 66 2HG2 VAL 66 2.426 -7.786 -4.849 353 H ILE 67 H ILE 67 6.223 -5.839 -2.178 354 HA ILE 67 HA ILE 67 8.621 -5.070 -3.696 355 HB ILE 67 HB ILE 67 8.129 -4.937 -0.711 356 HG12 ILE 67 1HG1 ILE 67 6.521 -3.460 -1.620 357 HG13 ILE 67 2HG1 ILE 67 7.886 -2.475 -1.139 358 HG21 ILE 67 1HG2 ILE 67 10.521 -4.919 -1.257 359 HG22 ILE 67 2HG2 ILE 67 10.269 -3.671 -2.493 360 HG23 ILE 67 3HG2 ILE 67 10.000 -3.305 -0.776 361 HD11 ILE 67 3HD1 ILE 67 7.058 -1.599 -3.153 362 HD12 ILE 67 1HD1 ILE 67 8.625 -2.351 -3.528 363 HD13 ILE 67 2HD1 ILE 67 7.110 -3.174 -3.976 364 H THR 68 H THR 68 9.450 -6.827 -4.531 365 HA THR 68 HA THR 68 10.853 -8.762 -2.758 366 HB THR 68 HB THR 68 11.320 -9.918 -4.988 367 HG1 THR 68 1HG THR 68 9.822 -9.387 -6.642 368 HG21 THR 68 3HG2 THR 68 9.113 -11.012 -5.036 369 HG22 THR 68 1HG2 THR 68 9.662 -10.746 -3.373 370 HG23 THR 68 2HG2 THR 68 8.418 -9.687 -4.073 371 H ASP 69 H ASP 69 12.931 -8.457 -2.446 372 HA ASP 69 HA ASP 69 14.148 -6.076 -2.867 373 HB2 ASP 69 1HB ASP 69 14.909 -7.790 -1.312 374 HB3 ASP 69 2HB ASP 69 15.486 -8.771 -2.661 375 H ARG 70 H ARG 70 15.168 -4.948 -4.406 376 HA ARG 70 HA ARG 70 15.158 -5.975 -7.050 377 HB2 ARG 70 1HB ARG 70 16.207 -3.338 -6.063 378 HB3 ARG 70 2HB ARG 70 15.952 -3.773 -7.751 379 HG2 ARG 70 1HG ARG 70 13.804 -3.510 -5.614 380 HG3 ARG 70 2HG ARG 70 14.051 -2.500 -7.046 381 HD2 ARG 70 1HD ARG 70 13.597 -4.657 -8.393 382 HD3 ARG 70 2HD ARG 70 13.069 -5.358 -6.857 383 HE ARG 70 HE ARG 70 11.855 -2.883 -8.038 384 HH11 ARG 70 1HH1 ARG 70 11.237 -5.977 -6.394 385 HH12 ARG 70 2HH1 ARG 70 9.571 -5.987 -6.894 386 HH21 ARG 70 1HH2 ARG 70 9.673 -2.899 -8.467 387 HH22 ARG 70 2HH2 ARG 70 8.675 -4.203 -7.898 388 H ASN 71 H ASN 71 17.369 -6.892 -4.922 389 HA ASN 71 HA ASN 71 19.543 -7.252 -6.938 390 HB2 ASN 71 1HB ASN 71 20.011 -7.335 -3.955 391 HB3 ASN 71 2HB ASN 71 21.143 -7.023 -5.253 392 HD21 ASN 71 2HD2 ASN 71 18.703 -5.652 -3.127 393 HD22 ASN 71 1HD2 ASN 71 19.042 -3.957 -3.512 394 H THR 72 H THR 72 17.622 -8.752 -4.371 395 HA THR 72 HA THR 72 18.690 -11.495 -4.990 396 HB THR 72 HB THR 72 18.079 -11.987 -2.558 397 HG1 THR 72 1HG THR 72 18.010 -9.160 -2.425 398 HG21 THR 72 3HG2 THR 72 20.085 -10.948 -1.624 399 HG22 THR 72 1HG2 THR 72 20.442 -11.539 -3.256 400 HG23 THR 72 2HG2 THR 72 20.180 -9.804 -2.974 401 H GLN 73 H GLN 73 15.816 -9.644 -4.937 402 HA GLN 73 HA GLN 73 13.636 -10.057 -5.149 403 HB2 GLN 73 1HB GLN 73 14.661 -12.635 -6.394 404 HB3 GLN 73 2HB GLN 73 12.965 -12.175 -6.405 405 HG2 GLN 73 1HG GLN 73 15.141 -10.364 -7.539 406 HG3 GLN 73 2HG GLN 73 14.285 -11.577 -8.485 407 HE21 GLN 73 2HE2 GLN 73 13.874 -8.438 -6.780 408 HE22 GLN 73 1HE2 GLN 73 12.265 -8.162 -7.436 409 H LYS 74 H LYS 74 15.066 -11.041 -2.607 410 HA LYS 74 HA LYS 74 13.195 -12.919 -1.463 411 HB2 LYS 74 1HB LYS 74 14.365 -12.454 0.607 412 HB3 LYS 74 2HB LYS 74 15.477 -12.667 -0.708 413 HG2 LYS 74 1HG LYS 74 16.465 -10.936 0.334 414 HG3 LYS 74 2HG LYS 74 15.496 -10.070 -0.848 415 HD2 LYS 74 1HD LYS 74 13.791 -9.614 0.919 416 HD3 LYS 74 2HD LYS 74 14.811 -10.432 2.096 417 HE2 LYS 74 1HE LYS 74 15.670 -7.991 0.446 418 HE3 LYS 74 2HE LYS 74 14.956 -7.889 2.048 419 HZ1 LYS 74 3HZ LYS 74 17.370 -7.825 2.151 420 HZ2 LYS 74 1HZ LYS 74 16.849 -9.185 2.892 421 HZ3 LYS 74 2HZ LYS 74 17.507 -9.263 1.392 422 H SER 75 H SER 75 11.242 -12.534 -0.427 423 HA SER 75 HA SER 75 9.952 -9.955 -1.028 424 HB2 SER 75 1HB SER 75 8.738 -12.055 -1.356 425 HB3 SER 75 2HB SER 75 8.852 -12.404 0.382 426 HG SER 75 HG SER 75 6.869 -11.259 -0.513 427 H ARG 76 H ARG 76 9.408 -8.342 0.315 428 HA ARG 76 HA ARG 76 10.336 -8.446 3.134 429 HB2 ARG 76 1HB ARG 76 9.316 -6.161 1.406 430 HB3 ARG 76 2HB ARG 76 9.723 -6.036 3.125 431 HG2 ARG 76 1HG ARG 76 12.031 -7.017 2.497 432 HG3 ARG 76 2HG ARG 76 11.611 -6.630 0.822 433 HD2 ARG 76 1HD ARG 76 11.416 -4.286 1.321 434 HD3 ARG 76 2HD ARG 76 11.390 -4.579 3.061 435 HE ARG 76 HE ARG 76 13.778 -4.903 1.293 436 HH11 ARG 76 1HH1 ARG 76 12.556 -4.337 4.581 437 HH12 ARG 76 2HH1 ARG 76 14.157 -4.019 5.183 438 HH21 ARG 76 1HH2 ARG 76 15.698 -4.462 2.081 439 HH22 ARG 76 2HH2 ARG 76 15.950 -4.094 3.775 440 H GLY 77 H GLY 77 7.459 -9.316 1.632 441 HA2 GLY 77 1HA GLY 77 5.441 -9.934 2.628 442 HA3 GLY 77 2HA GLY 77 6.004 -9.263 4.177 443 H TYR 78 H TYR 78 6.170 -7.028 1.564 444 HA TYR 78 HA TYR 78 3.411 -6.116 1.817 445 HB2 TYR 78 1HB TYR 78 3.901 -3.918 2.495 446 HB3 TYR 78 2HB TYR 78 4.836 -4.918 3.588 447 HD1 TYR 78 2HD TYR 78 7.357 -5.078 3.239 448 HD2 TYR 78 1HD TYR 78 4.861 -2.328 1.052 449 HE1 TYR 78 2HE TYR 78 9.346 -3.674 2.709 450 HE2 TYR 78 1HE TYR 78 6.841 -0.900 0.598 451 HH TYR 78 HH TYR 78 10.131 -1.741 1.704 452 H GLY 79 H GLY 79 2.831 -4.429 0.358 453 HA2 GLY 79 1HA GLY 79 4.430 -4.067 -2.122 454 HA3 GLY 79 2HA GLY 79 2.834 -4.805 -2.217 455 H PHE 80 H PHE 80 2.759 -2.872 -3.667 456 HA PHE 80 HA PHE 80 1.296 -0.718 -2.269 457 HB2 PHE 80 1HB PHE 80 3.592 -0.366 -4.199 458 HB3 PHE 80 2HB PHE 80 2.266 0.773 -4.240 459 HD1 PHE 80 1HD PHE 80 5.075 -0.476 -2.162 460 HD2 PHE 80 2HD PHE 80 1.829 2.347 -2.472 461 HE1 PHE 80 1HE PHE 80 6.041 0.865 -0.308 462 HE2 PHE 80 2HE PHE 80 2.796 3.667 -0.605 463 HZ PHE 80 HZ PHE 80 4.905 2.924 0.480 464 H VAL 81 H VAL 81 -0.394 0.124 -3.351 465 HA VAL 81 HA VAL 81 -1.085 -0.836 -6.093 466 HB VAL 81 HB VAL 81 -3.085 -0.720 -3.788 467 HG11 VAL 81 1HG1 VAL 81 -4.080 -0.196 -5.987 468 HG12 VAL 81 2HG1 VAL 81 -3.387 -1.675 -6.673 469 HG13 VAL 81 3HG1 VAL 81 -4.636 -1.769 -5.417 470 HG21 VAL 81 3HG2 VAL 81 -3.260 -3.197 -4.049 471 HG22 VAL 81 1HG2 VAL 81 -1.862 -3.161 -5.140 472 HG23 VAL 81 2HG2 VAL 81 -1.691 -2.684 -3.436 473 H THR 82 H THR 82 -1.868 0.832 -7.356 474 HA THR 82 HA THR 82 -2.680 3.384 -6.000 475 HB THR 82 HB THR 82 -1.083 3.114 -8.568 476 HG1 THR 82 1HG THR 82 0.527 4.035 -7.298 477 HG21 THR 82 3HG2 THR 82 -0.932 5.602 -8.406 478 HG22 THR 82 1HG2 THR 82 -2.603 5.079 -8.644 479 HG23 THR 82 2HG2 THR 82 -2.054 5.579 -7.029 480 H MET 83 H MET 83 -4.581 4.156 -6.577 481 HA MET 83 HA MET 83 -6.211 2.550 -8.479 482 HB2 MET 83 1HB MET 83 -7.173 4.515 -6.394 483 HB3 MET 83 2HB MET 83 -8.111 3.304 -7.240 484 HG2 MET 83 1HG MET 83 -5.926 2.781 -5.200 485 HG3 MET 83 2HG MET 83 -7.652 2.621 -4.945 486 HE1 MET 83 3HE MET 83 -8.664 -0.559 -6.841 487 HE2 MET 83 1HE MET 83 -9.134 0.691 -5.663 488 HE3 MET 83 2HE MET 83 -8.816 1.133 -7.356 489 H LYS 84 H LYS 84 -7.602 3.509 -10.026 490 HA LYS 84 HA LYS 84 -6.438 5.773 -11.407 491 HB2 LYS 84 1HB LYS 84 -9.018 4.226 -11.815 492 HB3 LYS 84 2HB LYS 84 -8.527 5.576 -12.837 493 HG2 LYS 84 1HG LYS 84 -6.335 4.300 -13.244 494 HG3 LYS 84 2HG LYS 84 -7.152 2.884 -12.559 495 HD2 LYS 84 1HD LYS 84 -8.913 3.111 -14.351 496 HD3 LYS 84 2HD LYS 84 -8.120 4.577 -14.914 497 HE2 LYS 84 1HE LYS 84 -7.432 2.928 -16.424 498 HE3 LYS 84 2HE LYS 84 -6.036 3.228 -15.386 499 HZ1 LYS 84 3HZ LYS 84 -6.450 0.855 -15.778 500 HZ2 LYS 84 1HZ LYS 84 -6.553 1.183 -14.187 501 HZ3 LYS 84 2HZ LYS 84 -7.921 0.948 -15.073 502 H ASP 85 H ASP 85 -8.897 5.634 -8.949 503 HA ASP 85 HA ASP 85 -9.081 8.566 -8.922 504 HB2 ASP 85 1HB ASP 85 -10.839 7.792 -10.555 505 HB3 ASP 85 2HB ASP 85 -11.598 6.888 -9.246 506 H ARG 86 H ARG 86 -9.955 9.421 -7.031 507 HA ARG 86 HA ARG 86 -9.279 8.129 -4.608 508 HB2 ARG 86 1HB ARG 86 -11.171 10.482 -5.046 509 HB3 ARG 86 2HB ARG 86 -10.432 10.015 -3.507 510 HG2 ARG 86 1HG ARG 86 -8.175 10.424 -4.480 511 HG3 ARG 86 2HG ARG 86 -8.922 10.965 -5.986 512 HD2 ARG 86 1HD ARG 86 -10.176 12.709 -4.632 513 HD3 ARG 86 2HD ARG 86 -9.152 12.271 -3.253 514 HE ARG 86 HE ARG 86 -7.471 12.783 -5.481 515 HH11 ARG 86 1HH1 ARG 86 -9.648 14.661 -3.416 516 HH12 ARG 86 2HH1 ARG 86 -8.809 16.151 -3.731 517 HH21 ARG 86 1HH2 ARG 86 -6.430 14.736 -5.835 518 HH22 ARG 86 2HH2 ARG 86 -7.011 16.188 -5.082 519 H ALA 87 H ALA 87 -12.391 8.185 -6.353 520 HA ALA 87 HA ALA 87 -13.989 7.104 -4.216 521 HB1 ALA 87 1HB ALA 87 -14.901 8.346 -6.151 522 HB2 ALA 87 2HB ALA 87 -14.404 7.028 -7.238 523 HB3 ALA 87 3HB ALA 87 -15.644 6.743 -5.997 524 H SER 88 H SER 88 -11.709 5.535 -6.372 525 HA SER 88 HA SER 88 -12.703 2.807 -5.644 526 HB2 SER 88 1HB SER 88 -10.312 3.686 -7.294 527 HB3 SER 88 2HB SER 88 -10.846 2.022 -7.018 528 HG SER 88 HG SER 88 -12.297 4.079 -8.378 529 H ALA 89 H ALA 89 -10.035 5.074 -4.890 530 HA ALA 89 HA ALA 89 -8.619 3.258 -3.160 531 HB1 ALA 89 1HB ALA 89 -7.602 5.231 -4.255 532 HB2 ALA 89 2HB ALA 89 -8.631 6.299 -3.276 533 HB3 ALA 89 3HB ALA 89 -7.398 5.290 -2.493 534 H GLU 90 H GLU 90 -11.233 5.643 -2.449 535 HA GLU 90 HA GLU 90 -11.032 5.367 0.350 536 HB2 GLU 90 1HB GLU 90 -13.105 6.331 0.594 537 HB3 GLU 90 2HB GLU 90 -12.339 7.121 -0.787 538 HG2 GLU 90 1HG GLU 90 -13.788 6.007 -2.330 539 HG3 GLU 90 2HG GLU 90 -14.410 4.926 -1.086 540 H ARG 91 H ARG 91 -12.857 3.425 -1.960 541 HA ARG 91 HA ARG 91 -14.060 1.625 -0.071 542 HB2 ARG 91 1HB ARG 91 -13.497 1.465 -3.048 543 HB3 ARG 91 2HB ARG 91 -14.217 0.112 -2.162 544 HG2 ARG 91 1HG ARG 91 -16.062 1.512 -1.387 545 HG3 ARG 91 2HG ARG 91 -15.390 2.933 -2.196 546 HD2 ARG 91 1HD ARG 91 -16.148 0.384 -3.679 547 HD3 ARG 91 2HD ARG 91 -17.290 1.706 -3.383 548 HE ARG 91 HE ARG 91 -15.203 3.043 -4.499 549 HH11 ARG 91 1HH1 ARG 91 -17.003 0.227 -5.676 550 HH12 ARG 91 2HH1 ARG 91 -16.720 0.643 -7.339 551 HH21 ARG 91 1HH2 ARG 91 -14.886 3.511 -6.604 552 HH22 ARG 91 2HH2 ARG 91 -15.508 2.485 -7.868 553 H ALA 92 H ALA 92 -10.883 1.599 -1.652 554 HA ALA 92 HA ALA 92 -10.128 -1.031 -0.691 555 HB1 ALA 92 1HB ALA 92 -9.137 0.041 -2.695 556 HB2 ALA 92 2HB ALA 92 -8.447 1.316 -1.673 557 HB3 ALA 92 3HB ALA 92 -7.905 -0.360 -1.489 558 H CYS 93 H CYS 93 -9.605 2.283 0.603 559 HA CYS 93 HA CYS 93 -8.143 1.224 2.913 560 HB2 CYS 93 1HB CYS 93 -7.665 3.467 3.427 561 HB3 CYS 93 2HB CYS 93 -7.686 3.415 1.656 562 HG CYS 93 HG CYS 93 -10.404 4.043 1.652 563 H LYS 94 H LYS 94 -11.422 1.345 2.293 564 HA LYS 94 HA LYS 94 -12.641 2.429 4.502 565 HB2 LYS 94 1HB LYS 94 -13.513 1.432 2.234 566 HB3 LYS 94 2HB LYS 94 -13.621 -0.081 3.092 567 HG2 LYS 94 1HG LYS 94 -15.778 0.918 3.074 568 HG3 LYS 94 2HG LYS 94 -15.182 0.975 4.726 569 HD2 LYS 94 1HD LYS 94 -16.348 3.023 4.207 570 HD3 LYS 94 2HD LYS 94 -14.643 3.402 4.434 571 HE2 LYS 94 1HE LYS 94 -14.321 3.492 1.980 572 HE3 LYS 94 2HE LYS 94 -16.003 3.009 1.723 573 HZ1 LYS 94 3HZ LYS 94 -15.756 5.426 1.527 574 HZ2 LYS 94 1HZ LYS 94 -16.690 5.072 2.816 575 HZ3 LYS 94 2HZ LYS 94 -15.135 5.525 3.038 576 H ASP 95 H ASP 95 -11.072 -0.658 4.375 577 HA ASP 95 HA ASP 95 -11.350 -0.923 7.311 578 HB2 ASP 95 1HB ASP 95 -12.982 -2.484 6.255 579 HB3 ASP 95 2HB ASP 95 -11.653 -3.282 5.415 580 HA PRO 96 HA PRO 96 -6.989 -1.060 6.450 581 HB2 PRO 96 1HB PRO 96 -5.934 -1.178 8.956 582 HB3 PRO 96 2HB PRO 96 -6.826 0.252 8.350 583 HG2 PRO 96 1HG PRO 96 -7.909 -2.035 10.035 584 HG3 PRO 96 2HG PRO 96 -8.065 -0.274 10.337 585 HD2 PRO 96 1HD PRO 96 -10.027 -1.701 9.096 586 HD3 PRO 96 2HD PRO 96 -9.644 -0.024 8.604 587 H ASN 97 H ASN 97 -8.607 -3.841 7.816 588 HA ASN 97 HA ASN 97 -6.172 -5.516 7.419 589 HB2 ASN 97 1HB ASN 97 -8.150 -5.778 9.699 590 HB3 ASN 97 2HB ASN 97 -6.807 -6.850 9.352 591 HD21 ASN 97 2HD2 ASN 97 -4.575 -5.423 9.034 592 HD22 ASN 97 1HD2 ASN 97 -4.304 -4.421 10.441 593 HA PRO 98 HA PRO 98 -9.670 -7.162 4.911 594 HB2 PRO 98 1HB PRO 98 -8.371 -7.426 2.519 595 HB3 PRO 98 2HB PRO 98 -9.046 -5.874 3.109 596 HG2 PRO 98 1HG PRO 98 -6.195 -6.887 3.281 597 HG3 PRO 98 2HG PRO 98 -6.766 -5.286 2.732 598 HD2 PRO 98 1HD PRO 98 -5.855 -5.745 5.264 599 HD3 PRO 98 2HD PRO 98 -7.190 -4.606 4.945 600 H ILE 99 H ILE 99 -6.581 -8.545 5.654 601 HA ILE 99 HA ILE 99 -5.823 -10.677 5.917 602 HB ILE 99 HB ILE 99 -8.602 -11.766 5.605 603 HG12 ILE 99 1HG1 ILE 99 -8.972 -9.953 7.115 604 HG13 ILE 99 2HG1 ILE 99 -8.972 -11.451 8.020 605 HG21 ILE 99 1HG2 ILE 99 -6.796 -13.418 5.841 606 HG22 ILE 99 2HG2 ILE 99 -6.199 -12.605 7.294 607 HG23 ILE 99 3HG2 ILE 99 -7.788 -13.393 7.297 608 HD11 ILE 99 3HD1 ILE 99 -7.843 -9.718 9.282 609 HD12 ILE 99 1HD1 ILE 99 -6.641 -10.934 8.814 610 HD13 ILE 99 2HD1 ILE 99 -6.746 -9.376 7.942 611 H ILE 100 H ILE 100 -4.953 -9.992 3.739 612 HA ILE 100 HA ILE 100 -6.041 -11.215 1.335 613 HB ILE 100 HB ILE 100 -3.429 -9.765 1.865 614 HG12 ILE 100 1HG1 ILE 100 -5.866 -8.866 0.270 615 HG13 ILE 100 2HG1 ILE 100 -5.738 -8.568 1.988 616 HG21 ILE 100 1HG2 ILE 100 -3.079 -11.258 -0.069 617 HG22 ILE 100 2HG2 ILE 100 -4.602 -10.708 -0.802 618 HG23 ILE 100 3HG2 ILE 100 -3.226 -9.602 -0.640 619 HD11 ILE 100 3HD1 ILE 100 -5.032 -6.593 0.851 620 HD12 ILE 100 1HD1 ILE 100 -3.608 -7.315 1.617 621 HD13 ILE 100 2HD1 ILE 100 -3.860 -7.492 -0.133 622 H ASP 101 H ASP 101 -5.886 -13.185 0.743 623 HA ASP 101 HA ASP 101 -5.307 -15.286 0.386 624 HB2 ASP 101 1HB ASP 101 -3.313 -13.905 -0.612 625 HB3 ASP 101 2HB ASP 101 -2.371 -14.694 0.650 626 H GLY 102 H GLY 102 -5.529 -14.371 3.278 627 HA2 GLY 102 1HA GLY 102 -6.012 -15.846 5.058 628 HA3 GLY 102 2HA GLY 102 -4.817 -17.012 4.460 629 H ARG 103 H ARG 103 -4.109 -13.568 5.002 630 HA ARG 103 HA ARG 103 -2.978 -13.999 7.679 631 HB2 ARG 103 1HB ARG 103 -1.120 -14.752 6.248 632 HB3 ARG 103 2HB ARG 103 -1.250 -13.298 5.272 633 HG2 ARG 103 1HG ARG 103 0.676 -13.119 6.698 634 HG3 ARG 103 2HG ARG 103 -0.510 -11.917 7.191 635 HD2 ARG 103 1HD ARG 103 -1.214 -13.439 9.067 636 HD3 ARG 103 2HD ARG 103 0.052 -14.563 8.594 637 HE ARG 103 HE ARG 103 0.372 -11.857 9.812 638 HH11 ARG 103 1HH1 ARG 103 2.089 -14.709 8.584 639 HH12 ARG 103 2HH1 ARG 103 3.536 -14.296 9.455 640 HH21 ARG 103 1HH2 ARG 103 2.227 -11.442 10.925 641 HH22 ARG 103 2HH2 ARG 103 3.640 -12.417 10.697 642 H LYS 104 H LYS 104 -2.914 -12.095 8.870 643 HA LYS 104 HA LYS 104 -4.581 -9.982 7.995 644 HB2 LYS 104 1HB LYS 104 -4.287 -10.662 10.346 645 HB3 LYS 104 2HB LYS 104 -2.656 -9.968 10.342 646 HG2 LYS 104 1HG LYS 104 -3.637 -7.730 9.755 647 HG3 LYS 104 2HG LYS 104 -5.254 -8.435 9.805 648 HD2 LYS 104 1HD LYS 104 -3.320 -8.309 12.158 649 HD3 LYS 104 2HD LYS 104 -4.613 -7.141 11.834 650 HE2 LYS 104 1HE LYS 104 -6.311 -8.929 11.997 651 HE3 LYS 104 2HE LYS 104 -5.044 -10.121 12.327 652 HZ1 LYS 104 3HZ LYS 104 -6.071 -9.341 14.375 653 HZ2 LYS 104 1HZ LYS 104 -4.502 -8.889 14.352 654 HZ3 LYS 104 2HZ LYS 104 -5.676 -7.789 14.052 655 H ALA 105 H ALA 105 -4.124 -8.795 6.312 656 HA ALA 105 HA ALA 105 -1.533 -7.503 5.901 657 HB1 ALA 105 1HB ALA 105 -2.806 -8.368 3.979 658 HB2 ALA 105 2HB ALA 105 -4.173 -7.303 4.386 659 HB3 ALA 105 3HB ALA 105 -2.626 -6.611 3.867 660 H ASN 106 H ASN 106 -1.514 -5.119 5.537 661 HA ASN 106 HA ASN 106 -3.225 -3.589 7.454 662 HB2 ASN 106 1HB ASN 106 -0.202 -3.438 7.319 663 HB3 ASN 106 2HB ASN 106 -1.261 -2.553 8.412 664 HD21 ASN 106 2HD2 ASN 106 0.548 -5.439 7.972 665 HD22 ASN 106 1HD2 ASN 106 -0.148 -6.379 9.294 666 H VAL 107 H VAL 107 -4.289 -2.382 6.025 667 HA VAL 107 HA VAL 107 -2.973 -1.312 3.600 668 HB VAL 107 HB VAL 107 -5.895 -1.319 4.447 669 HG11 VAL 107 1HG1 VAL 107 -5.484 0.562 2.892 670 HG12 VAL 107 2HG1 VAL 107 -4.595 -0.531 1.805 671 HG13 VAL 107 3HG1 VAL 107 -6.338 -0.736 2.053 672 HG21 VAL 107 3HG2 VAL 107 -6.101 -3.049 2.672 673 HG22 VAL 107 1HG2 VAL 107 -4.344 -2.989 2.421 674 HG23 VAL 107 2HG2 VAL 107 -5.002 -3.582 3.956 675 H ASN 108 H ASN 108 -2.386 0.719 3.298 676 HA ASN 108 HA ASN 108 -3.315 2.919 5.086 677 HB2 ASN 108 1HB ASN 108 -0.426 2.041 4.622 678 HB3 ASN 108 2HB ASN 108 -0.886 3.546 5.393 679 HD21 ASN 108 2HD2 ASN 108 -0.639 0.031 5.859 680 HD22 ASN 108 1HD2 ASN 108 -0.929 0.116 7.587 681 H LEU 109 H LEU 109 -3.267 4.950 4.105 682 HA LEU 109 HA LEU 109 -3.164 5.113 1.213 683 HB2 LEU 109 1HB LEU 109 -3.638 7.105 3.458 684 HB3 LEU 109 2HB LEU 109 -3.746 7.561 1.766 685 HG LEU 109 HG LEU 109 -5.479 5.371 2.967 686 HD11 LEU 109 1HD1 LEU 109 -5.932 7.530 4.079 687 HD12 LEU 109 2HD1 LEU 109 -6.106 8.322 2.497 688 HD13 LEU 109 3HD1 LEU 109 -7.267 7.076 3.007 689 HD21 LEU 109 3HD2 LEU 109 -6.852 5.821 0.926 690 HD22 LEU 109 1HD2 LEU 109 -5.616 6.971 0.369 691 HD23 LEU 109 2HD2 LEU 109 -5.235 5.240 0.510 692 H ALA 110 H ALA 110 -0.646 4.433 2.203 693 HA ALA 110 HA ALA 110 1.671 4.839 1.986 694 HB1 ALA 110 1HB ALA 110 1.088 5.615 -0.282 695 HB2 ALA 110 2HB ALA 110 0.954 7.277 0.322 696 HB3 ALA 110 3HB ALA 110 2.499 6.422 0.426 697 H TYR 111 H TYR 111 0.730 8.281 2.176 698 HA TYR 111 HA TYR 111 2.642 9.020 4.050 699 HB2 TYR 111 1HB TYR 111 1.688 11.102 4.000 700 HB3 TYR 111 2HB TYR 111 1.403 10.398 2.431 701 HD1 TYR 111 1HD TYR 111 -1.197 8.744 3.474 702 HD2 TYR 111 2HD TYR 111 0.098 12.848 3.699 703 HE1 TYR 111 1HE TYR 111 -3.551 9.468 3.486 704 HE2 TYR 111 2HE TYR 111 -2.270 13.584 3.754 705 HH TYR 111 HH TYR 111 -5.000 11.254 3.605 706 H LEU 112 H LEU 112 1.342 6.747 5.621 707 HA LEU 112 HA LEU 112 -0.060 8.215 7.803 708 HB2 LEU 112 1HB LEU 112 -0.267 5.250 7.116 709 HB3 LEU 112 2HB LEU 112 -1.168 6.148 8.330 710 HG LEU 112 HG LEU 112 -1.443 6.197 5.317 711 HD11 LEU 112 1HD1 LEU 112 -2.785 4.560 6.637 712 HD12 LEU 112 2HD1 LEU 112 -3.484 5.894 7.569 713 HD13 LEU 112 3HD1 LEU 112 -3.811 5.762 5.831 714 HD21 LEU 112 3HD2 LEU 112 -3.116 8.025 5.573 715 HD22 LEU 112 1HD2 LEU 112 -2.547 8.266 7.247 716 HD23 LEU 112 2HD2 LEU 112 -1.456 8.520 5.867 717 H GLY 113 H GLY 113 1.427 4.997 7.946 718 HA2 GLY 113 1HA GLY 113 3.167 5.777 10.217 719 HA3 GLY 113 2HA GLY 113 2.847 4.136 9.594 720 H ALA 114 H ALA 114 3.678 6.650 7.341 721 HA ALA 114 HA ALA 114 5.859 5.192 6.231 722 HB1 ALA 114 1HB ALA 114 4.391 6.670 4.922 723 HB2 ALA 114 2HB ALA 114 4.963 8.086 5.839 724 HB3 ALA 114 3HB ALA 114 6.073 7.196 4.779 725 H LYS 115 H LYS 115 8.014 5.853 5.918 726 HA LYS 115 HA LYS 115 9.281 7.178 8.285 727 HB2 LYS 115 1HB LYS 115 9.922 4.489 7.039 728 HB3 LYS 115 2HB LYS 115 10.921 5.305 8.243 729 HG2 LYS 115 1HG LYS 115 8.921 5.311 9.816 730 HG3 LYS 115 2HG LYS 115 8.071 4.298 8.621 731 HD2 LYS 115 1HD LYS 115 10.017 2.714 8.707 732 HD3 LYS 115 2HD LYS 115 10.674 3.656 10.054 733 HE2 LYS 115 1HE LYS 115 8.875 3.048 11.510 734 HE3 LYS 115 2HE LYS 115 7.843 2.558 10.152 735 HZ1 LYS 115 3HZ LYS 115 8.787 0.598 11.289 736 HZ2 LYS 115 1HZ LYS 115 9.262 0.719 9.725 737 HZ3 LYS 115 2HZ LYS 115 10.302 1.112 10.941 738 HA PRO 116 HA PRO 116 12.094 8.993 5.256 739 HB2 PRO 116 1HB PRO 116 14.310 9.506 6.759 740 HB3 PRO 116 2HB PRO 116 12.775 10.403 6.970 741 HG2 PRO 116 1HG PRO 116 13.771 8.022 8.568 742 HG3 PRO 116 2HG PRO 116 13.138 9.583 9.189 743 HD2 PRO 116 1HD PRO 116 11.568 7.372 8.978 744 HD3 PRO 116 2HD PRO 116 10.914 9.000 8.639 745 H ARG 117 H ARG 117 14.147 8.565 4.173 746 HA ARG 117 HA ARG 117 15.352 5.864 4.568 747 HB2 ARG 117 1HB ARG 117 13.505 5.664 2.969 748 HB3 ARG 117 2HB ARG 117 14.289 6.847 1.909 749 HG2 ARG 117 1HG ARG 117 16.223 5.364 1.606 750 HG3 ARG 117 2HG ARG 117 15.651 4.294 2.896 751 HD2 ARG 117 1HD ARG 117 15.161 3.218 0.864 752 HD3 ARG 117 2HD ARG 117 13.629 3.783 1.552 753 HE ARG 117 HE ARG 117 14.179 5.839 -0.088 754 HH11 ARG 117 1HH1 ARG 117 14.237 2.368 -0.838 755 HH12 ARG 117 2HH1 ARG 117 14.200 2.668 -2.555 756 HH21 ARG 117 1HH2 ARG 117 13.942 6.122 -2.293 757 HH22 ARG 117 2HH2 ARG 117 13.923 4.749 -3.353 758 H THR 118 H THR 118 17.461 6.145 4.750 759 HA THR 118 HA THR 118 18.848 8.517 3.599 760 HB THR 118 HB THR 118 20.617 7.895 5.267 761 HG1 THR 118 1HG THR 118 20.015 6.348 6.821 762 HG21 THR 118 3HG2 THR 118 19.387 8.679 7.227 763 HG22 THR 118 1HG2 THR 118 18.853 9.577 5.798 764 HG23 THR 118 2HG2 THR 118 17.832 8.285 6.467 765 H ASN 119 H ASN 119 18.692 5.105 3.084 766 HA ASN 119 HA ASN 119 21.376 4.753 2.095 767 HB2 ASN 119 1HB ASN 119 18.885 3.022 1.849 768 HB3 ASN 119 2HB ASN 119 20.521 2.501 1.449 769 HD21 ASN 119 2HD2 ASN 119 18.321 2.048 3.795 770 HD22 ASN 119 1HD2 ASN 119 19.388 1.931 5.180 771 H VAL 120 H VAL 120 20.344 6.936 0.771 772 HA VAL 120 HA VAL 120 20.392 6.271 -2.087 773 HB VAL 120 HB VAL 120 18.311 7.587 -2.568 774 HG11 VAL 120 1HG1 VAL 120 18.359 5.093 -2.673 775 HG12 VAL 120 2HG1 VAL 120 17.695 5.047 -1.019 776 HG13 VAL 120 3HG1 VAL 120 16.764 5.781 -2.335 777 HG21 VAL 120 3HG2 VAL 120 16.549 7.796 -0.866 778 HG22 VAL 120 1HG2 VAL 120 17.637 7.160 0.380 779 HG23 VAL 120 2HG2 VAL 120 17.978 8.723 -0.393 780 H GLN 121 H GLN 121 20.806 8.069 -3.400 781 HA GLN 121 HA GLN 121 21.321 10.735 -2.219 782 HB2 GLN 121 1HB GLN 121 23.435 8.972 -3.531 783 HB3 GLN 121 2HB GLN 121 23.605 10.713 -3.355 784 HG2 GLN 121 1HG GLN 121 23.307 8.788 -1.007 785 HG3 GLN 121 2HG GLN 121 24.828 9.386 -1.640 786 HE21 GLN 121 2HE2 GLN 121 21.947 10.306 0.218 787 HE22 GLN 121 1HE2 GLN 121 22.620 11.842 0.776 788 H5' G 7 H5' G 7 5.114 -9.361 12.951 789 H5'' G 7 H5" G 7 4.212 -9.914 11.528 790 H4' G 7 H4' G 7 6.340 -11.541 12.980 791 H3' G 7 H3' G 7 6.422 -9.770 10.531 792 H2' G 7 H2' G 7 7.733 -11.326 9.428 793 HO2' G 7 2HO G 7 9.453 -11.268 11.018 794 H1' G 7 H1' G 7 7.068 -13.488 11.290 795 H8 G 7 8H G 7 7.006 -15.457 9.801 796 H1 G 7 1H G 7 4.236 -12.255 4.936 797 H21 G 7 1H2 G 7 3.980 -10.188 5.468 798 H22 G 7 2H2 G 7 4.513 -9.565 7.034 799 HO5' G 7 H5T G 7 3.166 -10.239 13.685 800 H5' U 8 H5' U 8 7.947 -6.666 9.230 801 H5'' U 8 H5" U 8 8.940 -5.966 10.518 802 H4' U 8 H4' U 8 7.240 -4.375 9.769 803 H3' U 8 H3' U 8 7.566 -5.164 12.515 804 H2' U 8 H2' U 8 5.393 -5.890 12.685 805 HO2' U 8 2HO U 8 5.390 -3.099 13.001 806 H1' U 8 H1' U 8 4.615 -3.892 10.512 807 H3 U 8 3H U 8 0.291 -5.045 11.680 808 H5 U 8 5H U 8 2.236 -8.739 11.597 809 H6 U 8 6H U 8 4.333 -7.585 10.982 810 H5' G 9 H5' G 9 9.484 -1.432 9.393 811 H5'' G 9 H5" G 9 7.895 -2.193 9.414 812 H4' G 9 H4' G 9 10.402 -3.233 8.015 813 H3' G 9 H3' G 9 7.880 -1.818 7.159 814 H2' G 9 H2' G 9 7.883 -3.022 5.107 815 HO2' G 9 2HO G 9 10.371 -2.837 5.123 816 H1' G 9 H1' G 9 8.613 -5.442 6.196 817 H8 G 9 8H G 9 6.481 -6.601 5.590 818 H1 G 9 1H G 9 2.678 -2.218 8.356 819 H21 G 9 1H2 G 9 3.972 -0.596 9.266 820 H22 G 9 2H2 G 9 5.712 -0.669 9.045 821 H5' U 10 H5' U 10 7.963 -0.729 3.981 822 H5'' U 10 H5" U 10 9.544 0.050 3.985 823 H4' U 10 H4' U 10 8.219 0.954 2.211 824 H3' U 10 H3' U 10 9.528 2.628 3.953 825 H2' U 10 H2' U 10 7.583 2.946 5.341 826 HO2' U 10 2HO U 10 7.932 5.074 3.528 827 H1' U 10 H1' U 10 6.040 3.306 2.765 828 H3 U 10 3H U 10 2.044 4.183 4.706 829 H5 U 10 5H U 10 3.910 1.766 7.559 830 H6 U 10 6H U 10 5.863 1.580 6.094 831 H5' G 11 H5' G 11 11.559 3.757 -0.307 832 H5'' G 11 H5" G 11 10.328 3.705 -1.565 833 H4' G 11 H4' G 11 10.486 1.910 0.895 834 H3' G 11 H3' G 11 11.961 1.653 -1.399 835 H2' G 11 H2' G 11 10.279 1.669 -2.926 836 HO2' G 11 2HO G 11 9.681 -0.418 -3.587 837 H1' G 11 H1' G 11 8.248 0.063 -1.380 838 H8 G 11 8H G 11 7.285 3.478 -1.272 839 H1 G 11 1H G 11 6.341 1.362 -7.279 840 H21 G 11 1H2 G 11 7.457 -0.575 -7.542 841 H22 G 11 2H2 G 11 8.336 -1.259 -6.183 842 H5' C 12 H5' C 12 12.370 -2.307 -2.416 843 H5'' C 12 H5" C 12 12.085 -2.604 -0.710 844 H4' C 12 H4' C 12 13.216 -4.489 -1.276 845 H3' C 12 H3' C 12 14.628 -2.869 0.422 846 HO3' C 12 H3T C 12 15.806 -5.269 -0.558 847 H2' C 12 H2' C 12 15.993 -1.782 -1.089 848 HO2' C 12 2HO C 12 17.384 -4.279 -0.827 849 H1' C 12 H1' C 12 16.471 -4.071 -2.941 850 H41 C 12 1H4 C 12 17.617 1.401 -5.990 851 H42 C 12 2H4 C 12 15.902 1.590 -6.354 852 H5 C 12 5H C 12 14.240 0.035 -5.500 853 H6 C 12 6H C 12 13.911 -1.940 -4.114 Start of MODEL 12 1 H1 GLY 19 1H GLY 19 11.810 11.323 -5.341 2 H2 GLY 19 2H GLY 19 11.302 12.561 -6.283 3 H3 GLY 19 3H GLY 19 10.276 11.335 -5.918 4 HA2 GLY 19 1HA GLY 19 11.603 9.762 -7.160 5 HA3 GLY 19 2HA GLY 19 11.048 11.101 -8.181 6 H SER 20 H SER 20 13.091 9.825 -9.222 7 HA SER 20 HA SER 20 15.690 10.910 -8.304 8 HB2 SER 20 1HB SER 20 14.997 9.041 -10.598 9 HB3 SER 20 2HB SER 20 16.628 9.472 -10.065 10 HG SER 20 HG SER 20 14.646 8.082 -8.534 11 H THR 21 H THR 21 13.311 12.154 -10.301 12 HA THR 21 HA THR 21 14.948 14.283 -11.330 13 HB THR 21 HB THR 21 15.501 12.489 -12.969 14 HG1 THR 21 1HG THR 21 15.157 13.858 -14.712 15 HG21 THR 21 3HG2 THR 21 13.867 11.791 -14.636 16 HG22 THR 21 1HG2 THR 21 13.302 11.302 -13.033 17 HG23 THR 21 2HG2 THR 21 12.581 12.716 -13.836 18 H ASN 22 H ASN 22 13.640 15.857 -12.517 19 HA ASN 22 HA ASN 22 10.764 15.804 -12.414 20 HB2 ASN 22 1HB ASN 22 10.369 17.419 -10.670 21 HB3 ASN 22 2HB ASN 22 11.233 16.062 -9.977 22 HD21 ASN 22 2HD2 ASN 22 11.189 19.475 -10.267 23 HD22 ASN 22 1HD2 ASN 22 12.807 19.768 -9.655 24 H ALA 23 H ALA 23 9.777 17.701 -13.255 25 HA ALA 23 HA ALA 23 11.290 19.991 -14.202 26 HB1 ALA 23 1HB ALA 23 11.921 18.302 -15.918 27 HB2 ALA 23 2HB ALA 23 10.203 17.973 -16.228 28 HB3 ALA 23 3HB ALA 23 10.897 19.564 -16.614 29 H GLU 24 H GLU 24 9.885 21.583 -15.252 30 HA GLU 24 HA GLU 24 7.414 21.771 -13.844 31 HB2 GLU 24 1HB GLU 24 7.189 23.965 -14.755 32 HB3 GLU 24 2HB GLU 24 8.838 23.682 -14.212 33 HG2 GLU 24 1HG GLU 24 9.562 23.345 -16.567 34 HG3 GLU 24 2HG GLU 24 7.902 23.610 -17.116 35 HA PRO 25 HA PRO 25 5.094 21.121 -17.992 36 HB2 PRO 25 1HB PRO 25 6.545 18.714 -19.063 37 HB3 PRO 25 2HB PRO 25 5.754 20.055 -19.944 38 HG2 PRO 25 1HG PRO 25 8.455 19.954 -19.723 39 HG3 PRO 25 2HG PRO 25 7.594 21.517 -19.519 40 HD2 PRO 25 1HD PRO 25 8.538 19.604 -17.358 41 HD3 PRO 25 2HD PRO 25 8.819 21.365 -17.500 42 H VAL 26 H VAL 26 3.313 20.325 -17.052 43 HA VAL 26 HA VAL 26 3.067 17.454 -16.350 44 HB VAL 26 HB VAL 26 2.360 19.695 -14.394 45 HG11 VAL 26 1HG1 VAL 26 0.680 17.901 -14.308 46 HG12 VAL 26 2HG1 VAL 26 1.959 16.673 -14.190 47 HG13 VAL 26 3HG1 VAL 26 1.694 17.833 -12.870 48 HG21 VAL 26 3HG2 VAL 26 3.948 18.582 -12.841 49 HG22 VAL 26 1HG2 VAL 26 4.440 17.477 -14.142 50 HG23 VAL 26 2HG2 VAL 26 4.766 19.223 -14.262 51 H VAL 27 H VAL 27 1.362 16.772 -17.406 52 HA VAL 27 HA VAL 27 -0.731 18.665 -18.282 53 HB VAL 27 HB VAL 27 0.558 17.179 -19.859 54 HG11 VAL 27 1HG1 VAL 27 0.439 15.059 -18.572 55 HG12 VAL 27 2HG1 VAL 27 -1.310 14.979 -18.880 56 HG13 VAL 27 3HG1 VAL 27 -0.162 14.887 -20.227 57 HG21 VAL 27 3HG2 VAL 27 -1.240 16.867 -21.405 58 HG22 VAL 27 1HG2 VAL 27 -2.457 16.912 -20.122 59 HG23 VAL 27 2HG2 VAL 27 -1.519 18.372 -20.514 60 H GLY 28 H GLY 28 -0.431 16.692 -15.687 61 HA2 GLY 28 1HA GLY 28 -3.243 15.725 -15.532 62 HA3 GLY 28 2HA GLY 28 -1.926 15.348 -14.405 63 H SER 29 H SER 29 -4.743 16.519 -14.134 64 HA SER 29 HA SER 29 -4.400 19.187 -13.085 65 HB2 SER 29 1HB SER 29 -6.700 17.237 -12.733 66 HB3 SER 29 2HB SER 29 -6.748 18.987 -12.446 67 HG SER 29 HG SER 29 -7.576 18.433 -14.527 68 H ARG 30 H ARG 30 -3.571 16.254 -11.655 69 HA ARG 30 HA ARG 30 -2.767 17.395 -9.207 70 HB2 ARG 30 1HB ARG 30 -4.102 16.233 -7.578 71 HB3 ARG 30 2HB ARG 30 -5.103 17.312 -8.496 72 HG2 ARG 30 1HG ARG 30 -4.944 14.290 -8.932 73 HG3 ARG 30 2HG ARG 30 -6.120 15.096 -7.909 74 HD2 ARG 30 1HD ARG 30 -5.910 15.350 -10.930 75 HD3 ARG 30 2HD ARG 30 -7.123 14.473 -10.000 76 HE ARG 30 HE ARG 30 -6.934 17.314 -9.325 77 HH11 ARG 30 1HH1 ARG 30 -8.572 15.026 -11.474 78 HH12 ARG 30 2HH1 ARG 30 -9.901 16.110 -11.755 79 HH21 ARG 30 1HH2 ARG 30 -8.680 18.649 -9.719 80 HH22 ARG 30 2HH2 ARG 30 -9.957 18.131 -10.776 81 H ASP 31 H ASP 31 -1.812 15.794 -7.729 82 HA ASP 31 HA ASP 31 -0.535 13.503 -9.113 83 HB2 ASP 31 1HB ASP 31 -0.025 14.806 -6.408 84 HB3 ASP 31 2HB ASP 31 0.919 13.491 -7.103 85 H THR 32 H THR 32 -0.102 11.897 -6.828 86 HA THR 32 HA THR 32 -2.740 10.573 -6.627 87 HB THR 32 HB THR 32 -1.447 8.585 -6.015 88 HG1 THR 32 1HG THR 32 0.894 8.841 -6.427 89 HG21 THR 32 3HG2 THR 32 -0.455 8.228 -8.224 90 HG22 THR 32 1HG2 THR 32 -1.962 9.146 -8.398 91 HG23 THR 32 2HG2 THR 32 -0.405 9.981 -8.529 92 H MET 33 H MET 33 -0.475 9.861 -4.162 93 HA MET 33 HA MET 33 -0.506 9.876 -1.943 94 HB2 MET 33 1HB MET 33 -0.110 12.295 -2.381 95 HB3 MET 33 2HB MET 33 -1.849 12.597 -2.191 96 HG2 MET 33 1HG MET 33 -1.737 11.523 0.034 97 HG3 MET 33 2HG MET 33 0.007 11.384 -0.102 98 HE1 MET 33 3HE MET 33 1.412 14.825 0.504 99 HE2 MET 33 1HE MET 33 1.632 13.074 0.694 100 HE3 MET 33 2HE MET 33 1.386 13.770 -0.926 101 H PHE 34 H PHE 34 -3.713 11.279 -2.727 102 HA PHE 34 HA PHE 34 -5.072 9.763 -0.638 103 HB2 PHE 34 1HB PHE 34 -6.223 11.364 -2.944 104 HB3 PHE 34 2HB PHE 34 -7.059 10.888 -1.471 105 HD1 PHE 34 2HD PHE 34 -5.746 11.688 0.796 106 HD2 PHE 34 1HD PHE 34 -5.507 13.579 -3.075 107 HE1 PHE 34 2HE PHE 34 -5.016 13.804 1.872 108 HE2 PHE 34 1HE PHE 34 -4.780 15.694 -1.993 109 HZ PHE 34 HZ PHE 34 -4.531 15.809 0.480 110 H THR 35 H THR 35 -4.269 9.168 -3.968 111 HA THR 35 HA THR 35 -6.122 6.847 -4.146 112 HB THR 35 HB THR 35 -5.398 6.775 -6.513 113 HG1 THR 35 1HG THR 35 -4.203 8.515 -7.285 114 HG21 THR 35 3HG2 THR 35 -6.676 8.682 -7.264 115 HG22 THR 35 1HG2 THR 35 -7.419 8.062 -5.777 116 HG23 THR 35 2HG2 THR 35 -6.421 9.534 -5.724 117 H LYS 36 H LYS 36 -2.881 7.498 -3.317 118 HA LYS 36 HA LYS 36 -1.939 4.866 -4.253 119 HB2 LYS 36 1HB LYS 36 -0.642 7.052 -4.497 120 HB3 LYS 36 2HB LYS 36 -0.316 6.959 -2.753 121 HG2 LYS 36 1HG LYS 36 0.719 4.717 -3.082 122 HG3 LYS 36 2HG LYS 36 0.230 4.745 -4.774 123 HD2 LYS 36 1HD LYS 36 1.699 6.905 -4.969 124 HD3 LYS 36 2HD LYS 36 2.361 6.404 -3.403 125 HE2 LYS 36 1HE LYS 36 3.812 5.416 -5.011 126 HE3 LYS 36 2HE LYS 36 2.787 4.105 -4.452 127 HZ1 LYS 36 3HZ LYS 36 2.958 4.074 -6.842 128 HZ2 LYS 36 1HZ LYS 36 1.407 4.429 -6.466 129 HZ3 LYS 36 2HZ LYS 36 2.422 5.614 -6.986 130 H ILE 37 H ILE 37 -1.802 3.106 -3.043 131 HA ILE 37 HA ILE 37 -2.293 3.266 -0.093 132 HB ILE 37 HB ILE 37 -3.365 1.108 -1.937 133 HG12 ILE 37 1HG1 ILE 37 -4.826 3.673 -1.163 134 HG13 ILE 37 2HG1 ILE 37 -4.322 3.217 -2.790 135 HG21 ILE 37 1HG2 ILE 37 -3.189 0.723 0.539 136 HG22 ILE 37 2HG2 ILE 37 -4.274 2.107 0.791 137 HG23 ILE 37 3HG2 ILE 37 -4.843 0.652 -0.061 138 HD11 ILE 37 3HD1 ILE 37 -6.653 2.816 -2.617 139 HD12 ILE 37 1HD1 ILE 37 -5.831 1.249 -2.723 140 HD13 ILE 37 2HD1 ILE 37 -6.459 1.834 -1.158 141 H PHE 38 H PHE 38 -0.853 2.309 1.119 142 HA PHE 38 HA PHE 38 1.131 0.359 0.080 143 HB2 PHE 38 1HB PHE 38 2.099 2.066 1.440 144 HB3 PHE 38 2HB PHE 38 0.800 1.993 2.616 145 HD1 PHE 38 1HD PHE 38 3.970 0.341 1.501 146 HD2 PHE 38 2HD PHE 38 0.702 0.302 4.351 147 HE1 PHE 38 1HE PHE 38 5.259 -1.117 3.022 148 HE2 PHE 38 2HE PHE 38 1.994 -1.229 5.805 149 HZ PHE 38 HZ PHE 38 4.285 -1.949 5.133 150 H VAL 39 H VAL 39 1.043 -1.773 0.669 151 HA VAL 39 HA VAL 39 -1.127 -2.708 2.495 152 HB VAL 39 HB VAL 39 -0.643 -3.922 -0.258 153 HG11 VAL 39 1HG1 VAL 39 -1.337 -5.640 1.274 154 HG12 VAL 39 2HG1 VAL 39 -2.501 -4.584 2.071 155 HG13 VAL 39 3HG1 VAL 39 -2.808 -5.159 0.424 156 HG21 VAL 39 3HG2 VAL 39 -2.878 -3.121 -0.840 157 HG22 VAL 39 1HG2 VAL 39 -2.987 -2.235 0.701 158 HG23 VAL 39 2HG2 VAL 39 -1.791 -1.775 -0.533 159 H GLY 40 H GLY 40 0.422 -3.096 4.043 160 HA2 GLY 40 1HA GLY 40 2.464 -5.211 3.514 161 HA3 GLY 40 2HA GLY 40 2.429 -4.200 4.932 162 H GLY 41 H GLY 41 2.806 -6.512 5.695 163 HA2 GLY 41 1HA GLY 41 2.075 -8.269 6.974 164 HA3 GLY 41 2HA GLY 41 0.425 -7.602 6.913 165 H LEU 42 H LEU 42 1.907 -8.235 3.877 166 HA LEU 42 HA LEU 42 0.012 -10.339 3.170 167 HB2 LEU 42 1HB LEU 42 2.437 -9.172 1.720 168 HB3 LEU 42 2HB LEU 42 1.283 -10.283 1.001 169 HG LEU 42 HG LEU 42 0.602 -7.477 1.989 170 HD11 LEU 42 1HD1 LEU 42 2.091 -7.464 0.018 171 HD12 LEU 42 2HD1 LEU 42 0.979 -8.549 -0.840 172 HD13 LEU 42 3HD1 LEU 42 0.463 -6.906 -0.401 173 HD21 LEU 42 3HD2 LEU 42 -1.524 -7.878 0.686 174 HD22 LEU 42 1HD2 LEU 42 -1.042 -9.574 0.501 175 HD23 LEU 42 2HD2 LEU 42 -1.366 -8.903 2.116 176 HA PRO 43 HA PRO 43 2.901 -13.698 4.080 177 HB2 PRO 43 1HB PRO 43 1.860 -15.728 2.632 178 HB3 PRO 43 2HB PRO 43 1.069 -15.105 4.106 179 HG2 PRO 43 1HG PRO 43 0.403 -14.459 1.228 180 HG3 PRO 43 2HG PRO 43 -0.718 -14.845 2.570 181 HD2 PRO 43 1HD PRO 43 -0.138 -12.261 1.778 182 HD3 PRO 43 2HD PRO 43 -0.568 -12.692 3.449 183 H TYR 44 H TYR 44 4.789 -14.458 3.065 184 HA TYR 44 HA TYR 44 5.776 -12.805 1.036 185 HB2 TYR 44 1HB TYR 44 6.834 -15.465 2.041 186 HB3 TYR 44 2HB TYR 44 7.763 -14.340 1.072 187 HD1 TYR 44 2HD TYR 44 6.750 -11.736 2.614 188 HD2 TYR 44 1HD TYR 44 8.436 -15.523 3.814 189 HE1 TYR 44 2HE TYR 44 7.701 -10.673 4.638 190 HE2 TYR 44 1HE TYR 44 9.406 -14.446 5.832 191 HH TYR 44 HH TYR 44 8.958 -10.955 6.539 192 H HIS 45 H HIS 45 3.911 -15.610 0.405 193 HA HIS 45 HA HIS 45 5.048 -16.059 -2.279 194 HB2 HIS 45 1HB HIS 45 3.526 -17.888 -2.422 195 HB3 HIS 45 2HB HIS 45 4.284 -17.925 -0.836 196 HD2 HIS 45 2HD HIS 45 0.901 -17.290 -2.565 197 HE1 HIS 45 1HE HIS 45 0.087 -17.487 1.605 198 HE2 HIS 45 2HE HIS 45 -0.960 -17.355 -0.706 199 H THR 46 H THR 46 2.938 -13.739 -1.095 200 HA THR 46 HA THR 46 0.936 -13.588 -3.178 201 HB THR 46 HB THR 46 1.988 -11.269 -1.504 202 HG1 THR 46 1HG THR 46 1.403 -12.805 -0.071 203 HG21 THR 46 3HG2 THR 46 -0.302 -10.420 -1.718 204 HG22 THR 46 1HG2 THR 46 0.353 -10.683 -3.338 205 HG23 THR 46 2HG2 THR 46 -0.789 -11.851 -2.637 206 H SER 47 H SER 47 0.993 -12.633 -5.174 207 HA SER 47 HA SER 47 3.538 -11.291 -6.038 208 HB2 SER 47 1HB SER 47 1.544 -12.913 -7.663 209 HB3 SER 47 2HB SER 47 2.965 -12.076 -8.301 210 HG SER 47 HG SER 47 2.983 -14.196 -6.381 211 H ASP 48 H ASP 48 3.195 -9.801 -7.953 212 HA ASP 48 HA ASP 48 1.517 -7.607 -7.312 213 HB2 ASP 48 1HB ASP 48 2.202 -6.770 -9.503 214 HB3 ASP 48 2HB ASP 48 3.572 -7.435 -8.625 215 H LYS 49 H LYS 49 0.987 -10.348 -9.532 216 HA LYS 49 HA LYS 49 -1.569 -9.487 -10.545 217 HB2 LYS 49 1HB LYS 49 -0.147 -11.153 -11.652 218 HB3 LYS 49 2HB LYS 49 -0.295 -12.249 -10.270 219 HG2 LYS 49 1HG LYS 49 -2.709 -12.461 -10.663 220 HG3 LYS 49 2HG LYS 49 -2.623 -11.308 -12.009 221 HD2 LYS 49 1HD LYS 49 -1.131 -12.842 -13.236 222 HD3 LYS 49 2HD LYS 49 -1.160 -13.994 -11.896 223 HE2 LYS 49 1HE LYS 49 -3.626 -13.090 -13.459 224 HE3 LYS 49 2HE LYS 49 -2.692 -14.539 -13.838 225 HZ1 LYS 49 3HZ LYS 49 -4.591 -15.081 -12.461 226 HZ2 LYS 49 1HZ LYS 49 -3.226 -15.388 -11.617 227 HZ3 LYS 49 2HZ LYS 49 -4.131 -14.062 -11.276 228 H THR 50 H THR 50 -0.668 -11.562 -7.759 229 HA THR 50 HA THR 50 -3.255 -12.359 -6.923 230 HB THR 50 HB THR 50 -0.999 -11.737 -4.997 231 HG1 THR 50 1HG THR 50 -1.181 -14.044 -6.635 232 HG21 THR 50 3HG2 THR 50 -1.766 -13.834 -3.914 233 HG22 THR 50 1HG2 THR 50 -3.057 -12.628 -3.999 234 HG23 THR 50 2HG2 THR 50 -3.047 -13.993 -5.135 235 H LEU 51 H LEU 51 -1.322 -9.487 -6.000 236 HA LEU 51 HA LEU 51 -3.360 -8.497 -4.224 237 HB2 LEU 51 1HB LEU 51 -0.852 -8.069 -4.084 238 HB3 LEU 51 2HB LEU 51 -1.007 -7.034 -5.501 239 HG LEU 51 HG LEU 51 -2.612 -5.576 -4.174 240 HD11 LEU 51 1HD1 LEU 51 -3.360 -7.182 -2.467 241 HD12 LEU 51 2HD1 LEU 51 -1.697 -7.335 -1.853 242 HD13 LEU 51 3HD1 LEU 51 -2.573 -5.796 -1.711 243 HD21 LEU 51 3HD2 LEU 51 -0.813 -4.538 -2.809 244 HD22 LEU 51 1HD2 LEU 51 0.196 -5.974 -3.070 245 HD23 LEU 51 2HD2 LEU 51 -0.290 -4.953 -4.449 246 H HIS 52 H HIS 52 -2.599 -7.751 -7.638 247 HA HIS 52 HA HIS 52 -4.492 -5.629 -7.948 248 HB2 HIS 52 1HB HIS 52 -2.723 -6.275 -9.606 249 HB3 HIS 52 2HB HIS 52 -3.600 -7.753 -9.953 250 HD2 HIS 52 2HD HIS 52 -3.575 -4.028 -10.779 251 HE1 HIS 52 1HE HIS 52 -6.865 -5.688 -12.904 252 HE2 HIS 52 2HE HIS 52 -5.403 -3.622 -12.619 253 H GLU 53 H GLU 53 -4.811 -9.156 -8.088 254 HA GLU 53 HA GLU 53 -7.582 -9.186 -8.935 255 HB2 GLU 53 1HB GLU 53 -5.648 -11.283 -7.923 256 HB3 GLU 53 2HB GLU 53 -7.359 -11.657 -8.203 257 HG2 GLU 53 1HG GLU 53 -7.135 -10.780 -10.544 258 HG3 GLU 53 2HG GLU 53 -5.398 -10.624 -10.290 259 H TYR 54 H TYR 54 -6.154 -8.674 -5.796 260 HA TYR 54 HA TYR 54 -8.727 -9.303 -4.455 261 HB2 TYR 54 1HB TYR 54 -6.539 -9.808 -3.341 262 HB3 TYR 54 2HB TYR 54 -6.231 -8.073 -3.242 263 HD1 TYR 54 1HD TYR 54 -8.470 -10.841 -2.166 264 HD2 TYR 54 2HD TYR 54 -7.471 -6.680 -1.628 265 HE1 TYR 54 1HE TYR 54 -10.032 -10.721 -0.237 266 HE2 TYR 54 2HE TYR 54 -9.038 -6.554 0.301 267 HH TYR 54 HH TYR 54 -11.001 -9.375 1.352 268 H PHE 55 H PHE 55 -6.754 -6.414 -5.324 269 HA PHE 55 HA PHE 55 -8.688 -4.636 -4.101 270 HB2 PHE 55 1HB PHE 55 -6.087 -4.272 -5.559 271 HB3 PHE 55 2HB PHE 55 -7.161 -2.897 -5.361 272 HD1 PHE 55 2HD PHE 55 -5.574 -5.648 -3.316 273 HD2 PHE 55 1HD PHE 55 -7.116 -1.620 -3.406 274 HE1 PHE 55 2HE PHE 55 -4.892 -5.327 -0.956 275 HE2 PHE 55 1HE PHE 55 -6.407 -1.303 -1.047 276 HZ PHE 55 HZ PHE 55 -5.325 -3.165 0.185 277 H GLU 56 H GLU 56 -8.576 -5.975 -7.308 278 HA GLU 56 HA GLU 56 -9.991 -3.848 -8.566 279 HB2 GLU 56 1HB GLU 56 -10.356 -5.363 -10.420 280 HB3 GLU 56 2HB GLU 56 -8.708 -5.382 -9.834 281 HG2 GLU 56 1HG GLU 56 -9.066 -7.602 -10.221 282 HG3 GLU 56 2HG GLU 56 -9.378 -7.505 -8.497 283 H GLN 57 H GLN 57 -11.211 -5.896 -6.167 284 HA GLN 57 HA GLN 57 -14.007 -5.751 -6.998 285 HB2 GLN 57 1HB GLN 57 -14.525 -6.756 -4.948 286 HB3 GLN 57 2HB GLN 57 -12.992 -7.483 -5.420 287 HG2 GLN 57 1HG GLN 57 -11.857 -5.761 -3.874 288 HG3 GLN 57 2HG GLN 57 -13.469 -5.326 -3.320 289 HE21 GLN 57 2HE2 GLN 57 -10.873 -7.556 -2.907 290 HE22 GLN 57 1HE2 GLN 57 -11.700 -8.602 -1.756 291 H PHE 58 H PHE 58 -11.768 -3.489 -5.655 292 HA PHE 58 HA PHE 58 -13.904 -1.728 -4.551 293 HB2 PHE 58 1HB PHE 58 -10.890 -1.435 -4.369 294 HB3 PHE 58 2HB PHE 58 -12.100 -0.583 -3.438 295 HD1 PHE 58 2HD PHE 58 -13.809 -2.427 -2.156 296 HD2 PHE 58 1HD PHE 58 -9.637 -2.911 -3.118 297 HE1 PHE 58 2HE PHE 58 -13.578 -4.103 -0.336 298 HE2 PHE 58 1HE PHE 58 -9.411 -4.600 -1.317 299 HZ PHE 58 HZ PHE 58 -11.385 -5.204 0.077 300 H GLY 59 H GLY 59 -11.768 -2.022 -7.318 301 HA2 GLY 59 1HA GLY 59 -12.611 0.484 -8.499 302 HA3 GLY 59 2HA GLY 59 -11.066 0.634 -7.700 303 H ASP 60 H ASP 60 -10.591 1.372 -9.819 304 HA ASP 60 HA ASP 60 -10.411 -0.544 -11.992 305 HB2 ASP 60 1HB ASP 60 -10.126 2.450 -11.567 306 HB3 ASP 60 2HB ASP 60 -9.583 1.705 -13.068 307 H ILE 61 H ILE 61 -8.236 0.665 -9.889 308 HA ILE 61 HA ILE 61 -5.988 0.820 -9.581 309 HB ILE 61 HB ILE 61 -6.077 -1.785 -11.087 310 HG12 ILE 61 1HG1 ILE 61 -6.603 -1.259 -8.127 311 HG13 ILE 61 2HG1 ILE 61 -7.854 -1.640 -9.322 312 HG21 ILE 61 1HG2 ILE 61 -3.779 -1.020 -10.626 313 HG22 ILE 61 2HG2 ILE 61 -4.208 -0.642 -8.943 314 HG23 ILE 61 3HG2 ILE 61 -4.148 -2.315 -9.507 315 HD11 ILE 61 3HD1 ILE 61 -7.342 -3.600 -8.069 316 HD12 ILE 61 1HD1 ILE 61 -6.845 -3.836 -9.744 317 HD13 ILE 61 2HD1 ILE 61 -5.633 -3.523 -8.468 318 H GLU 62 H GLU 62 -4.509 2.144 -10.258 319 HA GLU 62 HA GLU 62 -3.744 2.606 -13.048 320 HB2 GLU 62 1HB GLU 62 -2.839 3.582 -10.330 321 HB3 GLU 62 2HB GLU 62 -1.784 3.790 -11.706 322 HG2 GLU 62 1HG GLU 62 -4.623 4.832 -11.586 323 HG3 GLU 62 2HG GLU 62 -3.205 5.769 -11.153 324 H GLU 63 H GLU 63 -2.359 1.017 -10.148 325 HA GLU 63 HA GLU 63 -0.662 -0.820 -11.611 326 HB2 GLU 63 1HB GLU 63 0.707 1.258 -11.723 327 HB3 GLU 63 2HB GLU 63 0.619 1.420 -9.966 328 HG2 GLU 63 1HG GLU 63 1.850 -0.697 -9.683 329 HG3 GLU 63 2HG GLU 63 1.875 -0.943 -11.433 330 H ALA 64 H ALA 64 -0.057 -2.533 -10.248 331 HA ALA 64 HA ALA 64 -0.357 -2.279 -7.335 332 HB1 ALA 64 1HB ALA 64 -2.553 -3.122 -8.037 333 HB2 ALA 64 2HB ALA 64 -1.774 -4.396 -8.995 334 HB3 ALA 64 3HB ALA 64 -1.652 -4.416 -7.224 335 H VAL 65 H VAL 65 1.100 -3.533 -6.233 336 HA VAL 65 HA VAL 65 2.895 -5.441 -7.630 337 HB VAL 65 HB VAL 65 4.916 -4.177 -6.938 338 HG11 VAL 65 1HG1 VAL 65 4.109 -4.059 -9.279 339 HG12 VAL 65 2HG1 VAL 65 3.257 -2.546 -8.883 340 HG13 VAL 65 3HG1 VAL 65 5.022 -2.632 -8.765 341 HG21 VAL 65 3HG2 VAL 65 4.823 -1.811 -6.383 342 HG22 VAL 65 1HG2 VAL 65 3.052 -1.815 -6.441 343 HG23 VAL 65 2HG2 VAL 65 3.925 -2.728 -5.185 344 H VAL 66 H VAL 66 4.434 -6.481 -6.220 345 HA VAL 66 HA VAL 66 4.078 -6.094 -3.292 346 HB VAL 66 HB VAL 66 4.305 -8.820 -4.631 347 HG11 VAL 66 1HG1 VAL 66 5.601 -8.780 -2.531 348 HG12 VAL 66 2HG1 VAL 66 4.243 -8.010 -1.678 349 HG13 VAL 66 3HG1 VAL 66 4.102 -9.674 -2.265 350 HG21 VAL 66 3HG2 VAL 66 2.109 -9.246 -3.551 351 HG22 VAL 66 1HG2 VAL 66 2.056 -7.564 -2.986 352 HG23 VAL 66 2HG2 VAL 66 1.996 -7.929 -4.724 353 H ILE 67 H ILE 67 5.989 -5.924 -2.222 354 HA ILE 67 HA ILE 67 8.259 -5.314 -3.965 355 HB ILE 67 HB ILE 67 7.884 -4.945 -0.973 356 HG12 ILE 67 1HG1 ILE 67 6.274 -3.533 -1.985 357 HG13 ILE 67 2HG1 ILE 67 7.651 -2.514 -1.628 358 HG21 ILE 67 1HG2 ILE 67 10.255 -4.988 -1.492 359 HG22 ILE 67 2HG2 ILE 67 10.021 -3.872 -2.857 360 HG23 ILE 67 3HG2 ILE 67 9.751 -3.329 -1.185 361 HD11 ILE 67 3HD1 ILE 67 6.822 -1.828 -3.709 362 HD12 ILE 67 1HD1 ILE 67 8.351 -2.677 -4.043 363 HD13 ILE 67 2HD1 ILE 67 6.792 -3.479 -4.361 364 H THR 68 H THR 68 9.605 -6.732 -4.587 365 HA THR 68 HA THR 68 10.839 -8.651 -2.685 366 HB THR 68 HB THR 68 11.358 -10.035 -4.747 367 HG1 THR 68 1HG THR 68 10.810 -8.346 -6.241 368 HG21 THR 68 3HG2 THR 68 9.125 -11.089 -4.829 369 HG22 THR 68 1HG2 THR 68 9.625 -10.732 -3.170 370 HG23 THR 68 2HG2 THR 68 8.425 -9.696 -3.974 371 H ASP 69 H ASP 69 12.941 -8.458 -2.417 372 HA ASP 69 HA ASP 69 14.289 -6.152 -3.056 373 HB2 ASP 69 1HB ASP 69 14.856 -7.782 -1.272 374 HB3 ASP 69 2HB ASP 69 15.533 -8.857 -2.494 375 H ARG 70 H ARG 70 15.650 -5.344 -4.565 376 HA ARG 70 HA ARG 70 15.615 -6.166 -7.204 377 HB2 ARG 70 1HB ARG 70 17.391 -4.610 -7.634 378 HB3 ARG 70 2HB ARG 70 16.122 -3.935 -6.620 379 HG2 ARG 70 1HG ARG 70 17.464 -3.952 -4.676 380 HG3 ARG 70 2HG ARG 70 18.653 -5.065 -5.342 381 HD2 ARG 70 1HD ARG 70 18.125 -2.401 -6.646 382 HD3 ARG 70 2HD ARG 70 19.253 -2.546 -5.270 383 HE ARG 70 HE ARG 70 20.019 -4.533 -7.073 384 HH11 ARG 70 1HH1 ARG 70 19.937 -0.997 -7.148 385 HH12 ARG 70 2HH1 ARG 70 21.262 -0.907 -8.273 386 HH21 ARG 70 1HH2 ARG 70 21.681 -4.361 -8.502 387 HH22 ARG 70 2HH2 ARG 70 22.246 -2.802 -9.032 388 H ASN 71 H ASN 71 17.850 -7.381 -4.766 389 HA ASN 71 HA ASN 71 19.559 -8.676 -6.868 390 HB2 ASN 71 1HB ASN 71 20.229 -7.792 -4.036 391 HB3 ASN 71 2HB ASN 71 21.322 -8.656 -5.110 392 HD21 ASN 71 2HD2 ASN 71 21.876 -6.106 -3.922 393 HD22 ASN 71 1HD2 ASN 71 22.045 -4.962 -5.239 394 H THR 72 H THR 72 18.058 -9.252 -3.622 395 HA THR 72 HA THR 72 18.645 -12.163 -3.876 396 HB THR 72 HB THR 72 17.771 -12.231 -1.501 397 HG1 THR 72 1HG THR 72 17.802 -10.105 -0.525 398 HG21 THR 72 3HG2 THR 72 19.794 -11.242 -0.540 399 HG22 THR 72 1HG2 THR 72 20.211 -12.075 -2.046 400 HG23 THR 72 2HG2 THR 72 20.088 -10.301 -2.017 401 H GLN 73 H GLN 73 15.981 -10.080 -4.443 402 HA GLN 73 HA GLN 73 13.801 -10.396 -4.946 403 HB2 GLN 73 1HB GLN 73 14.756 -13.200 -5.640 404 HB3 GLN 73 2HB GLN 73 13.159 -12.584 -6.029 405 HG2 GLN 73 1HG GLN 73 15.666 -11.137 -6.979 406 HG3 GLN 73 2HG GLN 73 14.963 -12.489 -7.854 407 HE21 GLN 73 2HE2 GLN 73 14.322 -9.087 -6.828 408 HE22 GLN 73 1HE2 GLN 73 13.023 -8.881 -7.994 409 H LYS 74 H LYS 74 14.835 -11.126 -2.115 410 HA LYS 74 HA LYS 74 12.806 -12.866 -1.043 411 HB2 LYS 74 1HB LYS 74 13.691 -12.180 1.118 412 HB3 LYS 74 2HB LYS 74 14.963 -12.580 -0.010 413 HG2 LYS 74 1HG LYS 74 15.899 -10.767 0.910 414 HG3 LYS 74 2HG LYS 74 15.072 -9.988 -0.436 415 HD2 LYS 74 1HD LYS 74 13.227 -9.340 1.117 416 HD3 LYS 74 2HD LYS 74 14.091 -10.092 2.452 417 HE2 LYS 74 1HE LYS 74 15.206 -7.818 0.723 418 HE3 LYS 74 2HE LYS 74 14.326 -7.561 2.228 419 HZ1 LYS 74 3HZ LYS 74 16.710 -7.551 2.599 420 HZ2 LYS 74 1HZ LYS 74 16.048 -8.817 3.393 421 HZ3 LYS 74 2HZ LYS 74 16.876 -9.060 2.003 422 H SER 75 H SER 75 10.767 -12.398 -0.331 423 HA SER 75 HA SER 75 9.580 -9.783 -0.980 424 HB2 SER 75 1HB SER 75 8.239 -11.795 -1.261 425 HB3 SER 75 2HB SER 75 8.415 -12.179 0.465 426 HG SER 75 HG SER 75 6.456 -10.900 -0.375 427 H ARG 76 H ARG 76 9.194 -8.119 0.366 428 HA ARG 76 HA ARG 76 10.189 -8.271 3.161 429 HB2 ARG 76 1HB ARG 76 9.144 -5.947 1.502 430 HB3 ARG 76 2HB ARG 76 9.602 -5.864 3.212 431 HG2 ARG 76 1HG ARG 76 11.884 -6.870 2.457 432 HG3 ARG 76 2HG ARG 76 11.412 -6.365 0.831 433 HD2 ARG 76 1HD ARG 76 11.301 -4.060 1.469 434 HD3 ARG 76 2HD ARG 76 11.260 -4.445 3.188 435 HE ARG 76 HE ARG 76 13.663 -4.686 1.433 436 HH11 ARG 76 1HH1 ARG 76 12.404 -4.386 4.747 437 HH12 ARG 76 2HH1 ARG 76 13.995 -4.093 5.382 438 HH21 ARG 76 1HH2 ARG 76 15.565 -4.250 2.270 439 HH22 ARG 76 2HH2 ARG 76 15.797 -4.028 3.993 440 H GLY 77 H GLY 77 7.305 -9.165 1.761 441 HA2 GLY 77 1HA GLY 77 5.304 -9.769 2.795 442 HA3 GLY 77 2HA GLY 77 5.858 -9.020 4.313 443 H TYR 78 H TYR 78 6.093 -6.857 1.671 444 HA TYR 78 HA TYR 78 3.323 -5.937 1.886 445 HB2 TYR 78 1HB TYR 78 3.881 -3.678 2.383 446 HB3 TYR 78 2HB TYR 78 4.702 -4.663 3.577 447 HD1 TYR 78 2HD TYR 78 5.108 -2.437 0.662 448 HD2 TYR 78 1HD TYR 78 7.134 -4.772 3.659 449 HE1 TYR 78 2HE TYR 78 7.248 -1.250 0.151 450 HE2 TYR 78 1HE TYR 78 9.256 -3.576 3.140 451 HH TYR 78 HH TYR 78 9.513 -1.106 0.573 452 H GLY 79 H GLY 79 2.630 -4.460 0.388 453 HA2 GLY 79 1HA GLY 79 4.104 -4.133 -2.178 454 HA3 GLY 79 2HA GLY 79 2.507 -4.893 -2.144 455 H PHE 80 H PHE 80 2.313 -2.991 -3.652 456 HA PHE 80 HA PHE 80 0.930 -0.807 -2.212 457 HB2 PHE 80 1HB PHE 80 3.074 -0.459 -4.333 458 HB3 PHE 80 2HB PHE 80 1.790 0.715 -4.155 459 HD1 PHE 80 2HD PHE 80 4.582 -0.930 -2.289 460 HD2 PHE 80 1HD PHE 80 1.884 2.430 -2.535 461 HE1 PHE 80 2HE PHE 80 5.830 0.218 -0.496 462 HE2 PHE 80 1HE PHE 80 3.151 3.573 -0.730 463 HZ PHE 80 HZ PHE 80 5.118 2.463 0.303 464 H VAL 81 H VAL 81 -0.761 0.081 -3.277 465 HA VAL 81 HA VAL 81 -1.457 -0.840 -6.015 466 HB VAL 81 HB VAL 81 -3.539 -0.734 -3.791 467 HG11 VAL 81 1HG1 VAL 81 -4.352 -0.197 -6.101 468 HG12 VAL 81 2HG1 VAL 81 -3.714 -1.745 -6.671 469 HG13 VAL 81 3HG1 VAL 81 -5.032 -1.706 -5.487 470 HG21 VAL 81 3HG2 VAL 81 -3.717 -3.216 -4.100 471 HG22 VAL 81 1HG2 VAL 81 -2.254 -3.172 -5.098 472 HG23 VAL 81 2HG2 VAL 81 -2.191 -2.714 -3.378 473 H THR 82 H THR 82 -2.051 0.869 -7.248 474 HA THR 82 HA THR 82 -2.758 3.474 -5.913 475 HB THR 82 HB THR 82 -1.394 3.119 -8.608 476 HG1 THR 82 1HG THR 82 -0.052 2.515 -6.891 477 HG21 THR 82 3HG2 THR 82 -0.939 5.543 -8.345 478 HG22 THR 82 1HG2 THR 82 -2.682 5.238 -8.356 479 HG23 THR 82 2HG2 THR 82 -1.851 5.561 -6.819 480 H MET 83 H MET 83 -4.722 4.226 -6.386 481 HA MET 83 HA MET 83 -6.430 2.673 -8.270 482 HB2 MET 83 1HB MET 83 -7.255 4.736 -6.207 483 HB3 MET 83 2HB MET 83 -8.286 3.590 -7.039 484 HG2 MET 83 1HG MET 83 -6.171 3.016 -4.946 485 HG3 MET 83 2HG MET 83 -7.907 2.818 -4.794 486 HE1 MET 83 3HE MET 83 -8.651 -0.336 -6.938 487 HE2 MET 83 1HE MET 83 -9.301 0.867 -5.796 488 HE3 MET 83 2HE MET 83 -8.760 1.380 -7.414 489 H LYS 84 H LYS 84 -7.779 3.626 -9.843 490 HA LYS 84 HA LYS 84 -6.493 5.818 -11.247 491 HB2 LYS 84 1HB LYS 84 -9.114 4.396 -11.743 492 HB3 LYS 84 2HB LYS 84 -8.375 5.582 -12.833 493 HG2 LYS 84 1HG LYS 84 -6.282 3.967 -12.726 494 HG3 LYS 84 2HG LYS 84 -7.460 2.781 -12.173 495 HD2 LYS 84 1HD LYS 84 -8.810 3.319 -14.284 496 HD3 LYS 84 2HD LYS 84 -7.456 4.339 -14.797 497 HE2 LYS 84 1HE LYS 84 -5.919 2.398 -14.663 498 HE3 LYS 84 2HE LYS 84 -7.245 1.367 -14.120 499 HZ1 LYS 84 3HZ LYS 84 -6.860 1.123 -16.492 500 HZ2 LYS 84 1HZ LYS 84 -8.345 1.762 -16.254 501 HZ3 LYS 84 2HZ LYS 84 -7.113 2.715 -16.761 502 H ASP 85 H ASP 85 -9.194 5.695 -8.995 503 HA ASP 85 HA ASP 85 -9.138 8.671 -8.936 504 HB2 ASP 85 1HB ASP 85 -10.957 7.883 -10.510 505 HB3 ASP 85 2HB ASP 85 -11.756 7.137 -9.126 506 H ARG 86 H ARG 86 -10.068 9.649 -7.038 507 HA ARG 86 HA ARG 86 -9.484 8.293 -4.576 508 HB2 ARG 86 1HB ARG 86 -11.032 10.848 -5.144 509 HB3 ARG 86 2HB ARG 86 -10.671 10.246 -3.521 510 HG2 ARG 86 1HG ARG 86 -8.235 10.314 -4.023 511 HG3 ARG 86 2HG ARG 86 -8.586 10.930 -5.640 512 HD2 ARG 86 1HD ARG 86 -7.938 12.778 -4.292 513 HD3 ARG 86 2HD ARG 86 -9.668 12.940 -4.624 514 HE ARG 86 HE ARG 86 -9.484 11.577 -2.181 515 HH11 ARG 86 1HH2 ARG 86 -8.519 14.779 -3.341 516 HH12 ARG 86 2HH2 ARG 86 -8.563 15.466 -1.746 517 HH21 ARG 86 1HH1 ARG 86 -9.542 12.538 -0.154 518 HH22 ARG 86 2HH1 ARG 86 -9.142 14.218 0.024 519 H ALA 87 H ALA 87 -12.472 8.489 -6.475 520 HA ALA 87 HA ALA 87 -14.220 7.470 -4.438 521 HB1 ALA 87 1HB ALA 87 -14.982 8.693 -6.453 522 HB2 ALA 87 2HB ALA 87 -14.435 7.347 -7.482 523 HB3 ALA 87 3HB ALA 87 -15.764 7.106 -6.329 524 H SER 88 H SER 88 -11.836 5.778 -6.413 525 HA SER 88 HA SER 88 -12.960 3.147 -5.540 526 HB2 SER 88 1HB SER 88 -10.785 2.400 -6.769 527 HB3 SER 88 2HB SER 88 -12.291 2.733 -7.630 528 HG SER 88 HG SER 88 -11.458 4.557 -8.456 529 H ALA 89 H ALA 89 -10.225 5.345 -4.903 530 HA ALA 89 HA ALA 89 -8.889 3.613 -3.052 531 HB1 ALA 89 1HB ALA 89 -7.936 5.654 -4.128 532 HB2 ALA 89 2HB ALA 89 -8.958 6.657 -3.071 533 HB3 ALA 89 3HB ALA 89 -7.709 5.612 -2.368 534 H GLU 90 H GLU 90 -11.563 5.959 -2.482 535 HA GLU 90 HA GLU 90 -11.635 5.582 0.336 536 HB2 GLU 90 1HB GLU 90 -13.731 6.622 0.341 537 HB3 GLU 90 2HB GLU 90 -12.735 7.423 -0.890 538 HG2 GLU 90 1HG GLU 90 -13.921 6.225 -2.643 539 HG3 GLU 90 2HG GLU 90 -14.909 5.390 -1.448 540 H ARG 91 H ARG 91 -13.187 3.791 -2.272 541 HA ARG 91 HA ARG 91 -14.620 1.897 -0.639 542 HB2 ARG 91 1HB ARG 91 -13.686 1.836 -3.524 543 HB3 ARG 91 2HB ARG 91 -14.574 0.502 -2.780 544 HG2 ARG 91 1HG ARG 91 -16.467 1.926 -2.275 545 HG3 ARG 91 2HG ARG 91 -15.614 3.368 -2.851 546 HD2 ARG 91 1HD ARG 91 -15.579 2.529 -5.130 547 HD3 ARG 91 2HD ARG 91 -16.180 0.954 -4.612 548 HE ARG 91 HE ARG 91 -18.327 1.738 -4.567 549 HH11 ARG 91 1HH1 ARG 91 -16.259 4.621 -4.755 550 HH12 ARG 91 2HH1 ARG 91 -17.634 5.674 -4.955 551 HH21 ARG 91 1HH2 ARG 91 -20.016 3.157 -4.854 552 HH22 ARG 91 2HH2 ARG 91 -19.715 4.858 -5.029 553 H ALA 92 H ALA 92 -11.291 1.886 -1.930 554 HA ALA 92 HA ALA 92 -10.698 -0.804 -1.072 555 HB1 ALA 92 1HB ALA 92 -9.542 0.348 -2.931 556 HB2 ALA 92 2HB ALA 92 -8.864 1.522 -1.782 557 HB3 ALA 92 3HB ALA 92 -8.400 -0.186 -1.686 558 H CYS 93 H CYS 93 -10.396 2.322 0.604 559 HA CYS 93 HA CYS 93 -8.809 1.160 2.750 560 HB2 CYS 93 1HB CYS 93 -8.648 3.343 3.599 561 HB3 CYS 93 2HB CYS 93 -8.650 3.532 1.840 562 HG CYS 93 HG CYS 93 -11.401 3.901 1.801 563 H LYS 94 H LYS 94 -12.070 0.772 2.213 564 HA LYS 94 HA LYS 94 -13.263 1.314 4.725 565 HB2 LYS 94 1HB LYS 94 -13.958 -0.777 2.613 566 HB3 LYS 94 2HB LYS 94 -15.001 -0.342 3.949 567 HG2 LYS 94 1HG LYS 94 -14.146 1.432 1.645 568 HG3 LYS 94 2HG LYS 94 -15.740 0.755 1.914 569 HD2 LYS 94 1HD LYS 94 -14.384 2.919 3.581 570 HD3 LYS 94 2HD LYS 94 -15.704 3.129 2.433 571 HE2 LYS 94 1HE LYS 94 -17.161 1.658 3.828 572 HE3 LYS 94 2HE LYS 94 -15.854 1.488 5.007 573 HZ1 LYS 94 3HZ LYS 94 -17.414 3.216 5.664 574 HZ2 LYS 94 1HZ LYS 94 -15.958 3.895 5.366 575 HZ3 LYS 94 2HZ LYS 94 -17.172 4.046 4.279 576 H ASP 95 H ASP 95 -11.304 -1.428 3.861 577 HA ASP 95 HA ASP 95 -11.674 -2.546 6.613 578 HB2 ASP 95 1HB ASP 95 -12.762 -3.946 4.912 579 HB3 ASP 95 2HB ASP 95 -11.222 -4.140 4.076 580 HA PRO 96 HA PRO 96 -7.249 -1.544 6.286 581 HB2 PRO 96 1HB PRO 96 -6.623 -1.391 8.923 582 HB3 PRO 96 2HB PRO 96 -7.591 -0.134 8.092 583 HG2 PRO 96 1HG PRO 96 -8.605 -2.470 9.750 584 HG3 PRO 96 2HG PRO 96 -9.062 -0.740 9.884 585 HD2 PRO 96 1HD PRO 96 -10.542 -2.549 8.467 586 HD3 PRO 96 2HD PRO 96 -10.386 -0.846 7.939 587 H ASN 97 H ASN 97 -8.746 -4.411 7.609 588 HA ASN 97 HA ASN 97 -6.170 -5.884 7.490 589 HB2 ASN 97 1HB ASN 97 -8.182 -6.145 9.746 590 HB3 ASN 97 2HB ASN 97 -6.744 -7.119 9.513 591 HD21 ASN 97 2HD2 ASN 97 -4.610 -5.600 9.231 592 HD22 ASN 97 1HD2 ASN 97 -4.497 -4.463 10.566 593 HA PRO 98 HA PRO 98 -9.641 -7.825 5.101 594 HB2 PRO 98 1HB PRO 98 -8.411 -8.056 2.663 595 HB3 PRO 98 2HB PRO 98 -9.186 -6.546 3.245 596 HG2 PRO 98 1HG PRO 98 -6.256 -7.330 3.348 597 HG3 PRO 98 2HG PRO 98 -6.972 -5.796 2.767 598 HD2 PRO 98 1HD PRO 98 -5.960 -6.065 5.279 599 HD3 PRO 98 2HD PRO 98 -7.419 -5.094 4.972 600 H ILE 99 H ILE 99 -6.497 -9.018 5.829 601 HA ILE 99 HA ILE 99 -5.566 -11.086 6.001 602 HB ILE 99 HB ILE 99 -8.253 -12.389 5.755 603 HG12 ILE 99 1HG1 ILE 99 -8.755 -10.614 7.279 604 HG13 ILE 99 2HG1 ILE 99 -8.613 -12.112 8.173 605 HG21 ILE 99 1HG2 ILE 99 -6.300 -13.879 5.956 606 HG22 ILE 99 2HG2 ILE 99 -5.755 -13.017 7.400 607 HG23 ILE 99 3HG2 ILE 99 -7.268 -13.942 7.427 608 HD11 ILE 99 3HD1 ILE 99 -7.616 -10.299 9.431 609 HD12 ILE 99 1HD1 ILE 99 -6.319 -11.401 8.931 610 HD13 ILE 99 2HD1 ILE 99 -6.577 -9.853 8.075 611 H ILE 100 H ILE 100 -4.905 -10.254 3.744 612 HA ILE 100 HA ILE 100 -5.998 -11.616 1.409 613 HB ILE 100 HB ILE 100 -3.582 -9.832 1.803 614 HG12 ILE 100 1HG1 ILE 100 -6.129 -9.336 0.200 615 HG13 ILE 100 2HG1 ILE 100 -6.046 -8.977 1.911 616 HG21 ILE 100 1HG2 ILE 100 -3.037 -11.328 -0.076 617 HG22 ILE 100 2HG2 ILE 100 -4.630 -11.034 -0.807 618 HG23 ILE 100 3HG2 ILE 100 -3.426 -9.735 -0.703 619 HD11 ILE 100 3HD1 ILE 100 -5.622 -6.953 0.677 620 HD12 ILE 100 1HD1 ILE 100 -4.129 -7.429 1.508 621 HD13 ILE 100 2HD1 ILE 100 -4.311 -7.710 -0.240 622 H ASP 101 H ASP 101 -5.680 -13.589 0.878 623 HA ASP 101 HA ASP 101 -4.894 -15.637 0.567 624 HB2 ASP 101 1HB ASP 101 -3.045 -13.897 -0.525 625 HB3 ASP 101 2HB ASP 101 -2.020 -14.985 0.395 626 H GLY 102 H GLY 102 -4.967 -14.670 3.388 627 HA2 GLY 102 1HA GLY 102 -5.131 -16.140 5.209 628 HA3 GLY 102 2HA GLY 102 -3.876 -17.187 4.523 629 H ARG 103 H ARG 103 -3.577 -13.662 5.112 630 HA ARG 103 HA ARG 103 -2.357 -14.044 7.731 631 HB2 ARG 103 1HB ARG 103 -0.445 -14.403 6.014 632 HB3 ARG 103 2HB ARG 103 -0.619 -12.683 5.633 633 HG2 ARG 103 1HG ARG 103 -0.202 -12.162 8.075 634 HG3 ARG 103 2HG ARG 103 0.023 -13.896 8.354 635 HD2 ARG 103 1HD ARG 103 1.899 -13.769 6.581 636 HD3 ARG 103 2HD ARG 103 1.733 -12.017 6.678 637 HE ARG 103 HE ARG 103 2.676 -12.017 8.839 638 HH11 ARG 103 1HH1 ARG 103 2.139 -15.399 7.872 639 HH12 ARG 103 2HH1 ARG 103 3.115 -15.999 9.177 640 HH21 ARG 103 1HH2 ARG 103 3.966 -12.864 10.402 641 HH22 ARG 103 2HH2 ARG 103 4.100 -14.588 10.623 642 H LYS 104 H LYS 104 -2.479 -12.145 8.984 643 HA LYS 104 HA LYS 104 -4.385 -10.206 8.119 644 HB2 LYS 104 1HB LYS 104 -4.076 -10.843 10.473 645 HB3 LYS 104 2HB LYS 104 -2.494 -10.039 10.490 646 HG2 LYS 104 1HG LYS 104 -3.597 -7.876 9.897 647 HG3 LYS 104 2HG LYS 104 -5.170 -8.676 9.878 648 HD2 LYS 104 1HD LYS 104 -3.355 -8.520 12.319 649 HD3 LYS 104 2HD LYS 104 -4.614 -7.332 11.937 650 HE2 LYS 104 1HE LYS 104 -6.347 -9.062 12.002 651 HE3 LYS 104 2HE LYS 104 -5.133 -10.310 12.336 652 HZ1 LYS 104 3HZ LYS 104 -6.217 -9.568 14.371 653 HZ2 LYS 104 1HZ LYS 104 -4.634 -9.171 14.426 654 HZ3 LYS 104 2HZ LYS 104 -5.757 -8.021 14.122 655 H ALA 105 H ALA 105 -4.017 -8.989 6.433 656 HA ALA 105 HA ALA 105 -1.523 -7.565 5.957 657 HB1 ALA 105 1HB ALA 105 -2.863 -8.436 4.090 658 HB2 ALA 105 2HB ALA 105 -4.242 -7.427 4.585 659 HB3 ALA 105 3HB ALA 105 -2.746 -6.672 4.001 660 H ASN 106 H ASN 106 -1.580 -5.201 5.633 661 HA ASN 106 HA ASN 106 -3.371 -3.694 7.492 662 HB2 ASN 106 1HB ASN 106 -1.270 -4.064 8.667 663 HB3 ASN 106 2HB ASN 106 -0.363 -3.509 7.254 664 HD21 ASN 106 2HD2 ASN 106 -0.267 -1.275 6.765 665 HD22 ASN 106 1HD2 ASN 106 -0.910 -0.044 7.830 666 H VAL 107 H VAL 107 -4.538 -2.526 6.127 667 HA VAL 107 HA VAL 107 -3.327 -1.415 3.620 668 HB VAL 107 HB VAL 107 -6.230 -1.999 4.316 669 HG11 VAL 107 1HG1 VAL 107 -6.105 -0.082 2.756 670 HG12 VAL 107 2HG1 VAL 107 -4.986 -0.992 1.716 671 HG13 VAL 107 3HG1 VAL 107 -6.671 -1.521 1.906 672 HG21 VAL 107 3HG2 VAL 107 -6.016 -3.742 2.559 673 HG22 VAL 107 1HG2 VAL 107 -4.290 -3.364 2.413 674 HG23 VAL 107 2HG2 VAL 107 -4.924 -4.058 3.918 675 H ASN 108 H ASN 108 -2.925 0.653 3.543 676 HA ASN 108 HA ASN 108 -4.834 2.651 4.276 677 HB2 ASN 108 1HB ASN 108 -3.503 3.928 5.890 678 HB3 ASN 108 2HB ASN 108 -4.004 2.386 6.527 679 HD21 ASN 108 2HD2 ASN 108 -1.072 3.955 4.950 680 HD22 ASN 108 1HD2 ASN 108 0.026 3.082 5.992 681 H LEU 109 H LEU 109 -3.940 4.926 3.828 682 HA LEU 109 HA LEU 109 -2.826 4.977 1.205 683 HB2 LEU 109 1HB LEU 109 -3.000 7.225 3.240 684 HB3 LEU 109 2HB LEU 109 -2.703 7.413 1.516 685 HG LEU 109 HG LEU 109 -5.270 6.308 2.738 686 HD11 LEU 109 1HD1 LEU 109 -4.955 8.713 3.157 687 HD12 LEU 109 2HD1 LEU 109 -4.692 8.990 1.421 688 HD13 LEU 109 3HD1 LEU 109 -6.272 8.427 2.006 689 HD21 LEU 109 3HD2 LEU 109 -6.185 6.553 0.425 690 HD22 LEU 109 1HD2 LEU 109 -4.546 6.912 -0.165 691 HD23 LEU 109 2HD2 LEU 109 -4.927 5.319 0.529 692 H ALA 110 H ALA 110 -0.886 5.760 0.441 693 HA ALA 110 HA ALA 110 1.488 4.741 1.451 694 HB1 ALA 110 1HB ALA 110 1.146 5.389 -0.845 695 HB2 ALA 110 2HB ALA 110 1.123 7.114 -0.417 696 HB3 ALA 110 3HB ALA 110 2.617 6.158 -0.220 697 H TYR 111 H TYR 111 1.933 8.276 1.238 698 HA TYR 111 HA TYR 111 3.585 8.971 3.052 699 HB2 TYR 111 1HB TYR 111 2.693 11.094 2.960 700 HB3 TYR 111 2HB TYR 111 2.213 10.316 1.477 701 HD1 TYR 111 2HD TYR 111 -0.278 9.083 1.672 702 HD2 TYR 111 1HD TYR 111 1.121 12.442 3.999 703 HE1 TYR 111 2HE TYR 111 -2.614 9.737 2.134 704 HE2 TYR 111 1HE TYR 111 -1.231 13.127 4.411 705 HH TYR 111 HH TYR 111 -4.021 11.260 3.136 706 H LEU 112 H LEU 112 1.436 7.049 4.854 707 HA LEU 112 HA LEU 112 0.912 8.991 7.004 708 HB2 LEU 112 1HB LEU 112 0.048 6.075 6.835 709 HB3 LEU 112 2HB LEU 112 -0.552 7.335 7.908 710 HG LEU 112 HG LEU 112 -1.027 6.957 4.949 711 HD11 LEU 112 1HD1 LEU 112 -2.498 5.813 6.599 712 HD12 LEU 112 2HD1 LEU 112 -2.952 7.397 7.259 713 HD13 LEU 112 3HD1 LEU 112 -3.369 6.984 5.582 714 HD21 LEU 112 3HD2 LEU 112 -2.322 9.075 4.962 715 HD22 LEU 112 1HD2 LEU 112 -1.522 9.493 6.504 716 HD23 LEU 112 2HD2 LEU 112 -0.566 9.243 5.016 717 H GLY 113 H GLY 113 1.862 5.562 7.338 718 HA2 GLY 113 1HA GLY 113 3.717 6.173 9.554 719 HA3 GLY 113 2HA GLY 113 3.254 4.568 8.925 720 H ALA 114 H ALA 114 4.222 6.937 6.623 721 HA ALA 114 HA ALA 114 6.254 5.258 5.571 722 HB1 ALA 114 1HB ALA 114 4.783 6.668 4.184 723 HB2 ALA 114 2HB ALA 114 5.481 8.139 4.912 724 HB3 ALA 114 3HB ALA 114 6.481 7.080 3.897 725 H LYS 115 H LYS 115 8.451 5.615 5.270 726 HA LYS 115 HA LYS 115 9.778 7.047 7.526 727 HB2 LYS 115 1HB LYS 115 10.744 4.673 5.878 728 HB3 LYS 115 2HB LYS 115 11.545 5.355 7.287 729 HG2 LYS 115 1HG LYS 115 8.928 3.820 7.206 730 HG3 LYS 115 2HG LYS 115 10.458 3.338 7.944 731 HD2 LYS 115 1HD LYS 115 10.211 5.287 9.551 732 HD3 LYS 115 2HD LYS 115 8.580 5.535 8.915 733 HE2 LYS 115 1HE LYS 115 9.634 3.048 10.327 734 HE3 LYS 115 2HE LYS 115 8.516 4.250 10.984 735 HZ1 LYS 115 3HZ LYS 115 7.240 2.414 10.244 736 HZ2 LYS 115 1HZ LYS 115 6.979 3.584 9.117 737 HZ3 LYS 115 2HZ LYS 115 7.996 2.318 8.803 738 HA PRO 116 HA PRO 116 11.920 9.650 4.658 739 HB2 PRO 116 1HB PRO 116 14.151 10.399 6.041 740 HB3 PRO 116 2HB PRO 116 12.500 10.924 6.493 741 HG2 PRO 116 1HG PRO 116 14.107 8.627 7.653 742 HG3 PRO 116 2HG PRO 116 13.215 9.911 8.533 743 HD2 PRO 116 1HD PRO 116 12.145 7.442 8.085 744 HD3 PRO 116 2HD PRO 116 11.127 8.913 8.056 745 H ARG 117 H ARG 117 13.371 9.543 3.039 746 HA ARG 117 HA ARG 117 15.525 7.472 3.011 747 HB2 ARG 117 1HB ARG 117 13.475 8.078 0.837 748 HB3 ARG 117 2HB ARG 117 14.895 7.074 0.582 749 HG2 ARG 117 1HG ARG 117 12.714 6.437 2.614 750 HG3 ARG 117 2HG ARG 117 12.764 5.809 0.977 751 HD2 ARG 117 1HD ARG 117 15.005 5.362 2.998 752 HD3 ARG 117 2HD ARG 117 13.662 4.259 2.787 753 HE ARG 117 HE ARG 117 15.932 4.638 0.980 754 HH11 ARG 117 1HH1 ARG 117 12.626 3.273 1.185 755 HH12 ARG 117 2HH1 ARG 117 12.917 2.324 -0.273 756 HH21 ARG 117 1HH2 ARG 117 16.093 3.292 -0.887 757 HH22 ARG 117 2HH2 ARG 117 14.683 2.326 -1.320 758 H THR 118 H THR 118 15.306 10.477 3.380 759 HA THR 118 HA THR 118 17.459 11.472 1.625 760 HB THR 118 HB THR 118 16.058 13.525 1.127 761 HG1 THR 118 1HG THR 118 13.817 13.282 1.329 762 HG21 THR 118 3HG2 THR 118 14.907 12.639 -0.780 763 HG22 THR 118 1HG2 THR 118 16.407 11.719 -0.587 764 HG23 THR 118 2HG2 THR 118 14.853 11.008 -0.090 765 H ASN 119 H ASN 119 17.972 13.807 2.333 766 HA ASN 119 HA ASN 119 18.473 13.876 5.148 767 HB2 ASN 119 1HB ASN 119 19.892 14.991 3.457 768 HB3 ASN 119 2HB ASN 119 18.571 16.097 3.070 769 HD21 ASN 119 2HD2 ASN 119 19.950 17.920 3.654 770 HD22 ASN 119 1HD2 ASN 119 20.263 18.273 5.344 771 H VAL 120 H VAL 120 17.344 14.698 6.810 772 HA VAL 120 HA VAL 120 15.036 16.499 6.492 773 HB VAL 120 HB VAL 120 13.574 15.080 7.917 774 HG11 VAL 120 1HG1 VAL 120 13.238 15.208 5.467 775 HG12 VAL 120 2HG1 VAL 120 14.226 13.742 5.267 776 HG13 VAL 120 3HG1 VAL 120 12.699 13.671 6.163 777 HG21 VAL 120 3HG2 VAL 120 13.913 12.656 8.081 778 HG22 VAL 120 1HG2 VAL 120 15.495 12.793 7.292 779 HG23 VAL 120 2HG2 VAL 120 15.222 13.518 8.892 780 H GLN 121 H GLN 121 14.491 17.603 8.362 781 HA GLN 121 HA GLN 121 16.134 17.311 10.813 782 HB2 GLN 121 1HB GLN 121 16.089 19.820 9.078 783 HB3 GLN 121 2HB GLN 121 16.730 19.727 10.718 784 HG2 GLN 121 1HG GLN 121 18.400 18.023 9.947 785 HG3 GLN 121 2HG GLN 121 17.820 18.239 8.291 786 HE21 GLN 121 2HE2 GLN 121 18.180 20.364 7.229 787 HE22 GLN 121 1HE2 GLN 121 19.453 21.408 7.849 788 H5' G 7 H5' G 7 4.170 -11.468 12.419 789 H5'' G 7 H5" G 7 4.761 -9.844 12.076 790 H4' G 7 H4' G 7 6.523 -11.547 12.767 791 H3' G 7 H3' G 7 6.684 -9.705 10.449 792 H2' G 7 H2' G 7 7.941 -11.036 9.100 793 HO2' G 7 2HO G 7 9.550 -10.777 11.163 794 H1' G 7 H1' G 7 8.108 -13.403 10.805 795 H8 G 7 8H G 7 7.920 -15.383 9.297 796 H1 G 7 1H G 7 4.302 -12.284 4.951 797 H21 G 7 1H2 G 7 3.969 -10.261 5.577 798 H22 G 7 2H2 G 7 4.646 -9.635 7.087 799 HO5' G 7 H5T G 7 4.818 -10.706 9.742 800 H5' U 8 H5' U 8 7.763 -7.335 10.351 801 H5'' U 8 H5" U 8 8.686 -6.592 11.663 802 H4' U 8 H4' U 8 7.697 -4.846 10.401 803 H3' U 8 H3' U 8 7.258 -5.066 13.146 804 H2' U 8 H2' U 8 5.085 -5.829 12.985 805 HO2' U 8 2HO U 8 5.068 -3.019 13.034 806 H1' U 8 H1' U 8 4.551 -4.022 10.603 807 H3 U 8 3H U 8 0.244 -5.589 11.223 808 H5 U 8 5H U 8 2.564 -9.049 11.574 809 H6 U 8 6H U 8 4.572 -7.696 11.195 810 H5' G 9 H5' G 9 9.040 -1.212 9.737 811 H5'' G 9 H5" G 9 7.572 -2.193 9.789 812 H4' G 9 H4' G 9 10.166 -3.044 8.426 813 H3' G 9 H3' G 9 7.701 -1.629 7.429 814 H2' G 9 H2' G 9 7.790 -2.875 5.400 815 HO2' G 9 2HO G 9 10.302 -2.694 5.574 816 H1' G 9 H1' G 9 8.491 -5.280 6.544 817 H8 G 9 8H G 9 6.393 -6.445 5.819 818 H1 G 9 1H G 9 2.465 -2.093 8.480 819 H21 G 9 1H2 G 9 3.714 -0.447 9.395 820 H22 G 9 2H2 G 9 5.462 -0.524 9.256 821 H5' U 10 H5' U 10 7.683 -0.989 4.086 822 H5'' U 10 H5" U 10 9.342 -0.392 4.120 823 H4' U 10 H4' U 10 8.257 0.466 2.180 824 H3' U 10 H3' U 10 9.563 2.186 3.877 825 H2' U 10 H2' U 10 7.588 2.839 5.033 826 HO2' U 10 2HO U 10 8.247 4.693 3.030 827 H1' U 10 H1' U 10 6.156 3.042 2.381 828 H3 U 10 3H U 10 2.247 4.394 4.280 829 H5 U 10 5H U 10 3.888 1.923 7.232 830 H6 U 10 6H U 10 5.808 1.496 5.779 831 H5' G 11 H5' G 11 9.555 4.047 -1.785 832 H5'' G 11 H5" G 11 8.382 3.982 -0.464 833 H4' G 11 H4' G 11 9.204 1.501 -0.172 834 H3' G 11 H3' G 11 10.687 2.259 -2.510 835 H2' G 11 H2' G 11 9.202 1.741 -4.085 836 HO2' G 11 2HO G 11 10.418 -0.339 -3.780 837 H1' G 11 H1' G 11 7.325 0.070 -2.397 838 H8 G 11 8H G 11 5.887 3.263 -2.443 839 H1 G 11 1H G 11 5.084 0.790 -8.341 840 H21 G 11 1H2 G 11 6.600 -0.807 -8.662 841 H22 G 11 2H2 G 11 7.695 -1.285 -7.365 842 H5' C 12 H5' C 12 11.895 -2.517 -2.315 843 H5'' C 12 H5" C 12 11.772 -2.444 -0.553 844 H4' C 12 H4' C 12 13.021 -4.379 -0.986 845 H3' C 12 H3' C 12 14.256 -2.508 0.548 846 HO3' C 12 H3T C 12 15.758 -4.759 -0.371 847 H2' C 12 H2' C 12 15.381 -1.355 -1.175 848 HO2' C 12 2HO C 12 17.595 -2.122 -1.256 849 H1' C 12 H1' C 12 16.249 -3.853 -2.574 850 H41 C 12 1H4 C 12 17.109 0.956 -6.682 851 H42 C 12 2H4 C 12 15.506 0.646 -7.347 852 H5 C 12 5H C 12 13.974 -0.924 -6.305 853 H6 C 12 6H C 12 13.669 -2.441 -4.449 Start of MODEL 13 1 H1 GLY 19 1H GLY 19 -12.755 17.760 12.275 2 H2 GLY 19 2H GLY 19 -11.623 16.772 11.600 3 H3 GLY 19 3H GLY 19 -13.094 16.922 10.905 4 HA2 GLY 19 1HA GLY 19 -14.187 15.824 12.691 5 HA3 GLY 19 2HA GLY 19 -12.846 14.820 12.107 6 H SER 20 H SER 20 -12.192 13.782 13.955 7 HA SER 20 HA SER 20 -12.377 14.949 16.558 8 HB2 SER 20 1HB SER 20 -10.990 12.381 15.723 9 HB3 SER 20 2HB SER 20 -11.619 12.787 17.329 10 HG SER 20 HG SER 20 -13.074 11.444 16.152 11 H THR 21 H THR 21 -9.989 15.726 14.454 12 HA THR 21 HA THR 21 -8.042 16.512 16.469 13 HB THR 21 HB THR 21 -7.418 14.173 16.233 14 HG1 THR 21 1HG THR 21 -5.310 14.583 15.868 15 HG21 THR 21 3HG2 THR 21 -6.520 13.275 14.115 16 HG22 THR 21 1HG2 THR 21 -8.239 13.653 13.962 17 HG23 THR 21 2HG2 THR 21 -7.028 14.742 13.255 18 H ASN 22 H ASN 22 -6.324 17.779 15.579 19 HA ASN 22 HA ASN 22 -7.042 19.303 13.160 20 HB2 ASN 22 1HB ASN 22 -5.160 20.728 13.746 21 HB3 ASN 22 2HB ASN 22 -6.232 20.503 15.120 22 HD21 ASN 22 2HD2 ASN 22 -5.246 19.935 17.060 23 HD22 ASN 22 1HD2 ASN 22 -3.628 19.267 17.176 24 H ALA 23 H ALA 23 -5.320 16.433 13.793 25 HA ALA 23 HA ALA 23 -3.352 16.661 11.639 26 HB1 ALA 23 1HB ALA 23 -2.876 15.416 13.706 27 HB2 ALA 23 2HB ALA 23 -4.214 14.297 13.359 28 HB3 ALA 23 3HB ALA 23 -2.801 14.355 12.286 29 H GLU 24 H GLU 24 -5.003 17.324 10.060 30 HA GLU 24 HA GLU 24 -5.812 15.112 8.354 31 HB2 GLU 24 1HB GLU 24 -8.191 15.827 8.215 32 HB3 GLU 24 2HB GLU 24 -7.746 15.126 9.766 33 HG2 GLU 24 1HG GLU 24 -7.638 17.382 10.778 34 HG3 GLU 24 2HG GLU 24 -7.999 18.113 9.212 35 HA PRO 25 HA PRO 25 -4.739 18.196 5.411 36 HB2 PRO 25 1HB PRO 25 -5.828 17.270 3.079 37 HB3 PRO 25 2HB PRO 25 -4.493 16.436 3.932 38 HG2 PRO 25 1HG PRO 25 -7.462 15.821 4.071 39 HG3 PRO 25 2HG PRO 25 -6.102 14.682 3.816 40 HD2 PRO 25 1HD PRO 25 -7.216 15.067 6.268 41 HD3 PRO 25 2HD PRO 25 -5.463 14.772 6.070 42 H VAL 26 H VAL 26 -5.433 20.144 4.634 43 HA VAL 26 HA VAL 26 -8.000 21.078 5.424 44 HB VAL 26 HB VAL 26 -5.855 22.372 5.345 45 HG11 VAL 26 1HG1 VAL 26 -5.168 21.837 3.011 46 HG12 VAL 26 2HG1 VAL 26 -6.507 22.834 2.404 47 HG13 VAL 26 3HG1 VAL 26 -5.201 23.576 3.340 48 HG21 VAL 26 3HG2 VAL 26 -6.864 24.526 5.010 49 HG22 VAL 26 1HG2 VAL 26 -8.175 23.842 4.038 50 HG23 VAL 26 2HG2 VAL 26 -8.054 23.457 5.771 51 H VAL 27 H VAL 27 -7.148 19.518 2.529 52 HA VAL 27 HA VAL 27 -9.759 19.774 1.358 53 HB VAL 27 HB VAL 27 -8.725 21.964 0.666 54 HG11 VAL 27 1HG1 VAL 27 -6.378 21.197 0.324 55 HG12 VAL 27 2HG1 VAL 27 -6.901 20.311 -1.126 56 HG13 VAL 27 3HG1 VAL 27 -7.041 22.076 -1.061 57 HG21 VAL 27 3HG2 VAL 27 -9.504 21.899 -1.616 58 HG22 VAL 27 1HG2 VAL 27 -9.403 20.130 -1.657 59 HG23 VAL 27 2HG2 VAL 27 -10.577 20.931 -0.592 60 H GLY 28 H GLY 28 -10.145 18.192 -0.192 61 HA2 GLY 28 1HA GLY 28 -8.187 15.977 -0.358 62 HA3 GLY 28 2HA GLY 28 -9.888 15.952 -0.858 63 H SER 29 H SER 29 -8.458 14.728 -2.520 64 HA SER 29 HA SER 29 -7.862 14.506 -4.736 65 HB2 SER 29 1HB SER 29 -9.560 17.001 -5.055 66 HB3 SER 29 2HB SER 29 -9.081 15.880 -6.339 67 HG SER 29 HG SER 29 -11.145 15.357 -5.599 68 H ARG 30 H ARG 30 -5.701 15.272 -3.554 69 HA ARG 30 HA ARG 30 -4.351 17.088 -5.439 70 HB2 ARG 30 1HB ARG 30 -5.222 18.095 -3.003 71 HB3 ARG 30 2HB ARG 30 -3.642 17.503 -2.558 72 HG2 ARG 30 1HG ARG 30 -3.550 19.853 -3.170 73 HG3 ARG 30 2HG ARG 30 -2.586 18.900 -4.298 74 HD2 ARG 30 1HD ARG 30 -3.968 20.746 -5.349 75 HD3 ARG 30 2HD ARG 30 -4.198 19.154 -6.048 76 HE ARG 30 HE ARG 30 -6.333 18.963 -5.131 77 HH11 ARG 30 1HH1 ARG 30 -5.026 22.153 -4.320 78 HH12 ARG 30 2HH1 ARG 30 -6.555 22.718 -3.716 79 HH21 ARG 30 1HH2 ARG 30 -8.182 19.671 -4.164 80 HH22 ARG 30 2HH2 ARG 30 -8.357 21.346 -3.718 81 H ASP 31 H ASP 31 -2.494 16.215 -6.091 82 HA ASP 31 HA ASP 31 -0.890 14.719 -6.473 83 HB2 ASP 31 1HB ASP 31 -0.475 14.704 -3.464 84 HB3 ASP 31 2HB ASP 31 0.671 14.308 -4.746 85 H THR 32 H THR 32 0.053 12.477 -4.972 86 HA THR 32 HA THR 32 -2.040 10.506 -5.589 87 HB THR 32 HB THR 32 -0.187 8.883 -5.179 88 HG1 THR 32 1HG THR 32 1.899 9.820 -4.920 89 HG21 THR 32 3HG2 THR 32 1.098 9.488 -7.179 90 HG22 THR 32 1HG2 THR 32 -0.620 9.839 -7.437 91 HG23 THR 32 2HG2 THR 32 0.509 11.164 -7.094 92 H MET 33 H MET 33 -1.521 12.297 -2.935 93 HA MET 33 HA MET 33 -1.391 10.621 -0.701 94 HB2 MET 33 1HB MET 33 -1.147 13.088 -0.791 95 HB3 MET 33 2HB MET 33 -2.883 13.261 -1.061 96 HG2 MET 33 1HG MET 33 -3.391 12.390 1.124 97 HG3 MET 33 2HG MET 33 -1.724 11.898 1.389 98 HE1 MET 33 3HE MET 33 0.180 15.075 2.265 99 HE2 MET 33 1HE MET 33 0.160 13.301 2.172 100 HE3 MET 33 2HE MET 33 0.150 14.273 0.684 101 H PHE 34 H PHE 34 -4.075 10.946 -2.852 102 HA PHE 34 HA PHE 34 -5.861 9.461 -0.967 103 HB2 PHE 34 1HB PHE 34 -6.720 11.468 -3.064 104 HB3 PHE 34 2HB PHE 34 -7.715 10.717 -1.813 105 HD1 PHE 34 1HD PHE 34 -6.966 11.176 0.688 106 HD2 PHE 34 2HD PHE 34 -5.857 13.600 -2.693 107 HE1 PHE 34 1HE PHE 34 -6.456 13.064 2.212 108 HE2 PHE 34 2HE PHE 34 -5.342 15.502 -1.162 109 HZ PHE 34 HZ PHE 34 -5.643 15.233 1.288 110 H THR 35 H THR 35 -4.020 8.733 -3.479 111 HA THR 35 HA THR 35 -5.989 6.798 -4.630 112 HB THR 35 HB THR 35 -4.791 7.041 -6.827 113 HG1 THR 35 1HG THR 35 -3.714 9.013 -7.134 114 HG21 THR 35 3HG2 THR 35 -6.077 8.996 -7.549 115 HG22 THR 35 1HG2 THR 35 -7.038 7.985 -6.462 116 HG23 THR 35 2HG2 THR 35 -6.320 9.498 -5.861 117 H LYS 36 H LYS 36 -2.651 7.458 -3.705 118 HA LYS 36 HA LYS 36 -1.745 4.746 -4.342 119 HB2 LYS 36 1HB LYS 36 -0.322 6.737 -4.560 120 HB3 LYS 36 2HB LYS 36 -0.448 7.041 -2.817 121 HG2 LYS 36 1HG LYS 36 0.744 4.955 -2.333 122 HG3 LYS 36 2HG LYS 36 0.751 4.522 -4.057 123 HD2 LYS 36 1HD LYS 36 2.112 6.525 -4.563 124 HD3 LYS 36 2HD LYS 36 2.082 6.992 -2.846 125 HE2 LYS 36 1HE LYS 36 3.241 4.892 -2.240 126 HE3 LYS 36 2HE LYS 36 3.221 4.373 -3.930 127 HZ1 LYS 36 3HZ LYS 36 5.330 5.338 -3.298 128 HZ2 LYS 36 1HZ LYS 36 4.642 6.230 -4.484 129 HZ3 LYS 36 2HZ LYS 36 4.638 6.780 -2.933 130 H ILE 37 H ILE 37 -1.217 3.151 -2.886 131 HA ILE 37 HA ILE 37 -2.241 3.252 -0.091 132 HB ILE 37 HB ILE 37 -3.004 1.096 -2.095 133 HG12 ILE 37 1HG1 ILE 37 -4.799 3.418 -1.281 134 HG13 ILE 37 2HG1 ILE 37 -4.071 3.194 -2.876 135 HG21 ILE 37 1HG2 ILE 37 -3.008 0.531 0.350 136 HG22 ILE 37 2HG2 ILE 37 -4.229 1.796 0.602 137 HG23 ILE 37 3HG2 ILE 37 -4.580 0.374 -0.404 138 HD11 ILE 37 3HD1 ILE 37 -6.343 2.502 -2.999 139 HD12 ILE 37 1HD1 ILE 37 -5.301 1.084 -3.191 140 HD13 ILE 37 2HD1 ILE 37 -6.144 1.378 -1.647 141 H PHE 38 H PHE 38 -0.851 2.264 1.249 142 HA PHE 38 HA PHE 38 1.237 0.357 0.310 143 HB2 PHE 38 1HB PHE 38 2.086 1.993 1.852 144 HB3 PHE 38 2HB PHE 38 0.695 1.838 2.904 145 HD1 PHE 38 2HD PHE 38 0.457 -0.024 4.496 146 HD2 PHE 38 1HD PHE 38 3.973 0.274 1.974 147 HE1 PHE 38 2HE PHE 38 1.644 -1.613 5.955 148 HE2 PHE 38 1HE PHE 38 5.139 -1.271 3.488 149 HZ PHE 38 HZ PHE 38 4.008 -2.250 5.446 150 H VAL 39 H VAL 39 1.116 -1.797 0.836 151 HA VAL 39 HA VAL 39 -1.105 -2.769 2.571 152 HB VAL 39 HB VAL 39 -0.545 -4.023 -0.152 153 HG11 VAL 39 1HG1 VAL 39 -1.355 -5.620 1.518 154 HG12 VAL 39 2HG1 VAL 39 -2.628 -4.513 2.035 155 HG13 VAL 39 3HG1 VAL 39 -2.692 -5.245 0.426 156 HG21 VAL 39 3HG2 VAL 39 -2.706 -3.184 -0.882 157 HG22 VAL 39 1HG2 VAL 39 -2.894 -2.257 0.628 158 HG23 VAL 39 2HG2 VAL 39 -1.618 -1.850 -0.544 159 H GLY 40 H GLY 40 0.416 -3.174 4.155 160 HA2 GLY 40 1HA GLY 40 2.464 -5.280 3.626 161 HA3 GLY 40 2HA GLY 40 2.411 -4.283 5.061 162 H GLY 41 H GLY 41 2.785 -6.609 5.807 163 HA2 GLY 41 1HA GLY 41 2.015 -8.427 7.002 164 HA3 GLY 41 2HA GLY 41 0.371 -7.742 6.931 165 H LEU 42 H LEU 42 1.972 -8.262 3.912 166 HA LEU 42 HA LEU 42 0.035 -10.285 3.069 167 HB2 LEU 42 1HB LEU 42 2.512 -9.102 1.726 168 HB3 LEU 42 2HB LEU 42 1.388 -10.204 0.943 169 HG LEU 42 HG LEU 42 0.663 -7.425 1.975 170 HD11 LEU 42 1HD1 LEU 42 2.206 -7.375 0.038 171 HD12 LEU 42 2HD1 LEU 42 1.104 -8.432 -0.870 172 HD13 LEU 42 3HD1 LEU 42 0.592 -6.795 -0.401 173 HD21 LEU 42 3HD2 LEU 42 -1.422 -7.793 0.607 174 HD22 LEU 42 1HD2 LEU 42 -0.939 -9.486 0.390 175 HD23 LEU 42 2HD2 LEU 42 -1.309 -8.857 2.010 176 HA PRO 43 HA PRO 43 2.777 -13.707 4.126 177 HB2 PRO 43 1HB PRO 43 1.730 -15.703 2.597 178 HB3 PRO 43 2HB PRO 43 0.975 -15.120 4.108 179 HG2 PRO 43 1HG PRO 43 0.243 -14.416 1.270 180 HG3 PRO 43 2HG PRO 43 -0.841 -14.773 2.645 181 HD2 PRO 43 1HD PRO 43 -0.217 -12.208 1.822 182 HD3 PRO 43 2HD PRO 43 -0.613 -12.608 3.510 183 H TYR 44 H TYR 44 4.707 -14.425 3.209 184 HA TYR 44 HA TYR 44 5.787 -12.811 1.213 185 HB2 TYR 44 1HB TYR 44 6.790 -15.505 2.192 186 HB3 TYR 44 2HB TYR 44 7.763 -14.322 1.341 187 HD1 TYR 44 1HD TYR 44 6.946 -11.760 2.765 188 HD2 TYR 44 2HD TYR 44 7.931 -15.693 4.238 189 HE1 TYR 44 1HE TYR 44 7.708 -10.770 4.916 190 HE2 TYR 44 2HE TYR 44 8.692 -14.703 6.383 191 HH TYR 44 HH TYR 44 9.008 -12.769 7.591 192 H HIS 45 H HIS 45 3.945 -15.609 0.551 193 HA HIS 45 HA HIS 45 5.097 -16.052 -2.136 194 HB2 HIS 45 1HB HIS 45 3.489 -17.920 -2.222 195 HB3 HIS 45 2HB HIS 45 4.574 -17.989 -0.842 196 HD2 HIS 45 2HD HIS 45 3.252 -19.092 1.061 197 HE1 HIS 45 1HE HIS 45 -0.389 -16.911 0.811 198 HE2 HIS 45 2HE HIS 45 0.877 -18.693 2.115 199 H THR 46 H THR 46 2.966 -13.779 -0.978 200 HA THR 46 HA THR 46 0.930 -13.697 -3.038 201 HB THR 46 HB THR 46 2.049 -11.407 -1.360 202 HG1 THR 46 1HG THR 46 1.213 -12.997 -0.057 203 HG21 THR 46 3HG2 THR 46 -0.140 -10.360 -1.733 204 HG22 THR 46 1HG2 THR 46 0.632 -10.643 -3.296 205 HG23 THR 46 2HG2 THR 46 -0.661 -11.723 -2.734 206 H SER 47 H SER 47 1.113 -13.086 -5.132 207 HA SER 47 HA SER 47 3.628 -11.822 -6.076 208 HB2 SER 47 1HB SER 47 2.990 -12.515 -8.261 209 HB3 SER 47 2HB SER 47 2.783 -13.894 -7.176 210 HG SER 47 HG SER 47 1.003 -13.676 -8.577 211 H ASP 48 H ASP 48 3.440 -10.200 -7.800 212 HA ASP 48 HA ASP 48 2.022 -7.847 -7.087 213 HB2 ASP 48 1HB ASP 48 3.010 -8.612 -9.861 214 HB3 ASP 48 2HB ASP 48 2.799 -6.990 -9.215 215 H LYS 49 H LYS 49 1.189 -10.494 -9.313 216 HA LYS 49 HA LYS 49 -1.305 -9.301 -10.257 217 HB2 LYS 49 1HB LYS 49 -0.071 -12.075 -10.453 218 HB3 LYS 49 2HB LYS 49 -1.701 -11.707 -11.038 219 HG2 LYS 49 1HG LYS 49 -0.842 -9.981 -12.544 220 HG3 LYS 49 2HG LYS 49 0.805 -10.231 -11.945 221 HD2 LYS 49 1HD LYS 49 0.570 -11.344 -14.070 222 HD3 LYS 49 2HD LYS 49 0.766 -12.564 -12.802 223 HE2 LYS 49 1HE LYS 49 -1.693 -12.953 -12.798 224 HE3 LYS 49 2HE LYS 49 -1.899 -11.700 -14.028 225 HZ1 LYS 49 3HZ LYS 49 -1.856 -13.914 -15.011 226 HZ2 LYS 49 1HZ LYS 49 -0.568 -13.060 -15.541 227 HZ3 LYS 49 2HZ LYS 49 -0.372 -14.218 -14.400 228 H THR 50 H THR 50 -0.478 -11.645 -7.664 229 HA THR 50 HA THR 50 -3.150 -12.354 -6.925 230 HB THR 50 HB THR 50 -0.739 -12.078 -5.089 231 HG1 THR 50 1HG THR 50 -0.381 -13.517 -6.828 232 HG21 THR 50 3HG2 THR 50 -1.901 -13.841 -3.758 233 HG22 THR 50 1HG2 THR 50 -2.820 -12.333 -3.791 234 HG23 THR 50 2HG2 THR 50 -3.318 -13.693 -4.820 235 H LEU 51 H LEU 51 -1.122 -9.591 -5.883 236 HA LEU 51 HA LEU 51 -3.177 -8.514 -4.172 237 HB2 LEU 51 1HB LEU 51 -0.678 -8.165 -3.954 238 HB3 LEU 51 2HB LEU 51 -0.728 -7.193 -5.415 239 HG LEU 51 HG LEU 51 -2.296 -5.586 -4.209 240 HD11 LEU 51 1HD1 LEU 51 -3.171 -7.080 -2.469 241 HD12 LEU 51 2HD1 LEU 51 -1.536 -7.298 -1.801 242 HD13 LEU 51 3HD1 LEU 51 -2.328 -5.709 -1.740 243 HD21 LEU 51 3HD2 LEU 51 -0.475 -4.589 -2.835 244 HD22 LEU 51 1HD2 LEU 51 0.458 -6.087 -3.006 245 HD23 LEU 51 2HD2 LEU 51 0.075 -5.101 -4.438 246 H HIS 52 H HIS 52 -2.282 -7.783 -7.566 247 HA HIS 52 HA HIS 52 -4.130 -5.634 -7.956 248 HB2 HIS 52 1HB HIS 52 -2.297 -6.286 -9.532 249 HB3 HIS 52 2HB HIS 52 -3.151 -7.771 -9.900 250 HD2 HIS 52 2HD HIS 52 -3.250 -4.003 -10.662 251 HE1 HIS 52 1HE HIS 52 -6.169 -5.850 -13.144 252 HE2 HIS 52 2HE HIS 52 -4.908 -3.689 -12.672 253 H GLU 53 H GLU 53 -4.506 -9.138 -8.091 254 HA GLU 53 HA GLU 53 -7.240 -9.121 -9.092 255 HB2 GLU 53 1HB GLU 53 -5.360 -11.266 -8.060 256 HB3 GLU 53 2HB GLU 53 -7.042 -11.614 -8.492 257 HG2 GLU 53 1HG GLU 53 -6.660 -10.721 -10.777 258 HG3 GLU 53 2HG GLU 53 -4.965 -10.438 -10.398 259 H TYR 54 H TYR 54 -5.937 -8.609 -5.941 260 HA TYR 54 HA TYR 54 -8.514 -9.328 -4.645 261 HB2 TYR 54 1HB TYR 54 -6.333 -9.854 -3.527 262 HB3 TYR 54 2HB TYR 54 -6.029 -8.123 -3.384 263 HD1 TYR 54 2HD TYR 54 -8.179 -10.945 -2.320 264 HD2 TYR 54 1HD TYR 54 -7.358 -6.742 -1.807 265 HE1 TYR 54 2HE TYR 54 -9.760 -10.872 -0.400 266 HE2 TYR 54 1HE TYR 54 -8.946 -6.659 0.096 267 HH TYR 54 HH TYR 54 -10.507 -7.833 1.346 268 H PHE 55 H PHE 55 -6.514 -6.405 -5.332 269 HA PHE 55 HA PHE 55 -8.446 -4.659 -4.095 270 HB2 PHE 55 1HB PHE 55 -5.862 -4.257 -5.580 271 HB3 PHE 55 2HB PHE 55 -6.926 -2.884 -5.320 272 HD1 PHE 55 2HD PHE 55 -5.323 -5.710 -3.398 273 HD2 PHE 55 1HD PHE 55 -6.850 -1.679 -3.314 274 HE1 PHE 55 2HE PHE 55 -4.653 -5.500 -1.031 275 HE2 PHE 55 1HE PHE 55 -6.165 -1.479 -0.932 276 HZ PHE 55 HZ PHE 55 -5.112 -3.405 0.222 277 H GLU 56 H GLU 56 -8.443 -5.976 -7.275 278 HA GLU 56 HA GLU 56 -9.818 -3.831 -8.551 279 HB2 GLU 56 1HB GLU 56 -10.291 -5.408 -10.345 280 HB3 GLU 56 2HB GLU 56 -8.621 -5.433 -9.816 281 HG2 GLU 56 1HG GLU 56 -9.063 -7.665 -10.144 282 HG3 GLU 56 2HG GLU 56 -9.232 -7.508 -8.405 283 H GLN 57 H GLN 57 -11.028 -5.822 -6.085 284 HA GLN 57 HA GLN 57 -13.836 -5.663 -6.823 285 HB2 GLN 57 1HB GLN 57 -14.288 -6.552 -4.691 286 HB3 GLN 57 2HB GLN 57 -12.798 -7.333 -5.216 287 HG2 GLN 57 1HG GLN 57 -11.535 -5.595 -3.799 288 HG3 GLN 57 2HG GLN 57 -13.101 -5.078 -3.180 289 HE21 GLN 57 2HE2 GLN 57 -10.646 -7.575 -3.036 290 HE22 GLN 57 1HE2 GLN 57 -11.405 -8.481 -1.728 291 H PHE 58 H PHE 58 -11.565 -3.357 -5.547 292 HA PHE 58 HA PHE 58 -13.650 -1.641 -4.343 293 HB2 PHE 58 1HB PHE 58 -10.655 -1.216 -4.571 294 HB3 PHE 58 2HB PHE 58 -11.770 -0.335 -3.546 295 HD1 PHE 58 1HD PHE 58 -13.301 -2.129 -2.006 296 HD2 PHE 58 2HD PHE 58 -9.245 -2.628 -3.375 297 HE1 PHE 58 1HE PHE 58 -12.858 -3.696 -0.135 298 HE2 PHE 58 2HE PHE 58 -8.806 -4.203 -1.507 299 HZ PHE 58 HZ PHE 58 -10.616 -4.740 0.116 300 H GLY 59 H GLY 59 -12.039 -1.970 -7.371 301 HA2 GLY 59 1HA GLY 59 -13.360 -0.489 -9.065 302 HA3 GLY 59 2HA GLY 59 -12.575 0.833 -8.217 303 H ASP 60 H ASP 60 -11.445 1.472 -10.049 304 HA ASP 60 HA ASP 60 -9.913 -0.454 -11.645 305 HB2 ASP 60 1HB ASP 60 -10.432 2.528 -11.899 306 HB3 ASP 60 2HB ASP 60 -9.454 1.582 -13.026 307 H ILE 61 H ILE 61 -7.755 -0.633 -11.830 308 HA ILE 61 HA ILE 61 -6.052 0.691 -9.749 309 HB ILE 61 HB ILE 61 -5.774 -2.007 -11.096 310 HG12 ILE 61 1HG1 ILE 61 -6.413 -1.400 -8.177 311 HG13 ILE 61 2HG1 ILE 61 -7.659 -1.799 -9.357 312 HG21 ILE 61 1HG2 ILE 61 -3.583 -1.086 -10.575 313 HG22 ILE 61 2HG2 ILE 61 -4.119 -0.604 -8.944 314 HG23 ILE 61 3HG2 ILE 61 -3.932 -2.306 -9.373 315 HD11 ILE 61 3HD1 ILE 61 -7.088 -3.766 -8.104 316 HD12 ILE 61 1HD1 ILE 61 -6.581 -3.994 -9.780 317 HD13 ILE 61 2HD1 ILE 61 -5.387 -3.639 -8.505 318 H GLU 62 H GLU 62 -4.375 1.928 -10.355 319 HA GLU 62 HA GLU 62 -3.590 2.359 -13.158 320 HB2 GLU 62 1HB GLU 62 -2.580 3.356 -10.466 321 HB3 GLU 62 2HB GLU 62 -1.703 3.677 -11.941 322 HG2 GLU 62 1HG GLU 62 -4.558 4.496 -11.414 323 HG3 GLU 62 2HG GLU 62 -3.163 5.525 -11.124 324 H GLU 63 H GLU 63 -2.216 0.915 -10.183 325 HA GLU 63 HA GLU 63 -0.525 -0.992 -11.556 326 HB2 GLU 63 1HB GLU 63 0.814 1.098 -11.798 327 HB3 GLU 63 2HB GLU 63 0.745 1.348 -10.052 328 HG2 GLU 63 1HG GLU 63 2.056 -0.686 -9.669 329 HG3 GLU 63 2HG GLU 63 1.992 -1.092 -11.390 330 H ALA 64 H ALA 64 0.157 -2.605 -10.108 331 HA ALA 64 HA ALA 64 -0.109 -2.236 -7.213 332 HB1 ALA 64 1HB ALA 64 -2.344 -3.027 -7.782 333 HB2 ALA 64 2HB ALA 64 -1.664 -4.336 -8.765 334 HB3 ALA 64 3HB ALA 64 -1.456 -4.353 -7.003 335 H VAL 65 H VAL 65 1.401 -3.380 -6.123 336 HA VAL 65 HA VAL 65 3.073 -5.421 -7.465 337 HB VAL 65 HB VAL 65 5.159 -4.149 -6.936 338 HG11 VAL 65 1HG1 VAL 65 4.253 -4.178 -9.247 339 HG12 VAL 65 2HG1 VAL 65 3.418 -2.641 -8.916 340 HG13 VAL 65 3HG1 VAL 65 5.186 -2.721 -8.872 341 HG21 VAL 65 3HG2 VAL 65 5.101 -1.723 -6.588 342 HG22 VAL 65 1HG2 VAL 65 3.332 -1.744 -6.507 343 HG23 VAL 65 2HG2 VAL 65 4.300 -2.558 -5.256 344 H VAL 66 H VAL 66 4.597 -6.453 -6.093 345 HA VAL 66 HA VAL 66 4.271 -6.025 -3.133 346 HB VAL 66 HB VAL 66 4.681 -8.691 -4.552 347 HG11 VAL 66 1HG1 VAL 66 5.924 -8.644 -2.419 348 HG12 VAL 66 2HG1 VAL 66 4.492 -8.010 -1.575 349 HG13 VAL 66 3HG1 VAL 66 4.487 -9.653 -2.244 350 HG21 VAL 66 3HG2 VAL 66 2.486 -9.274 -3.534 351 HG22 VAL 66 1HG2 VAL 66 2.329 -7.615 -2.925 352 HG23 VAL 66 2HG2 VAL 66 2.325 -7.934 -4.672 353 H ILE 67 H ILE 67 6.166 -5.781 -2.009 354 HA ILE 67 HA ILE 67 8.471 -5.082 -3.672 355 HB ILE 67 HB ILE 67 8.145 -4.925 -0.659 356 HG12 ILE 67 1HG1 ILE 67 6.481 -3.471 -1.511 357 HG13 ILE 67 2HG1 ILE 67 7.843 -2.475 -1.057 358 HG21 ILE 67 1HG2 ILE 67 10.504 -4.898 -1.300 359 HG22 ILE 67 2HG2 ILE 67 10.195 -3.677 -2.548 360 HG23 ILE 67 3HG2 ILE 67 10.013 -3.269 -0.831 361 HD11 ILE 67 3HD1 ILE 67 6.939 -1.602 -3.063 362 HD12 ILE 67 1HD1 ILE 67 8.510 -2.322 -3.475 363 HD13 ILE 67 2HD1 ILE 67 6.999 -3.176 -3.884 364 H THR 68 H THR 68 9.715 -6.577 -4.420 365 HA THR 68 HA THR 68 10.946 -8.578 -2.596 366 HB THR 68 HB THR 68 11.510 -9.851 -4.669 367 HG1 THR 68 1HG THR 68 11.104 -8.962 -6.487 368 HG21 THR 68 3HG2 THR 68 9.288 -10.844 -4.991 369 HG22 THR 68 1HG2 THR 68 9.618 -10.546 -3.279 370 HG23 THR 68 2HG2 THR 68 8.527 -9.462 -4.172 371 H ASP 69 H ASP 69 13.104 -8.567 -2.419 372 HA ASP 69 HA ASP 69 14.468 -6.195 -2.898 373 HB2 ASP 69 1HB ASP 69 15.001 -8.016 -1.237 374 HB3 ASP 69 2HB ASP 69 15.777 -8.889 -2.556 375 H ARG 70 H ARG 70 15.627 -5.278 -4.531 376 HA ARG 70 HA ARG 70 15.513 -6.327 -7.105 377 HB2 ARG 70 1HB ARG 70 17.290 -4.155 -5.986 378 HB3 ARG 70 2HB ARG 70 17.211 -4.536 -7.705 379 HG2 ARG 70 1HG ARG 70 14.908 -3.633 -5.968 380 HG3 ARG 70 2HG ARG 70 15.740 -2.658 -7.185 381 HD2 ARG 70 1HD ARG 70 13.905 -5.043 -7.563 382 HD3 ARG 70 2HD ARG 70 13.579 -3.362 -7.984 383 HE ARG 70 HE ARG 70 15.817 -3.916 -9.473 384 HH11 ARG 70 1HH1 ARG 70 12.628 -5.437 -9.304 385 HH12 ARG 70 2HH1 ARG 70 12.730 -6.042 -10.930 386 HH21 ARG 70 1HH2 ARG 70 15.889 -4.734 -11.560 387 HH22 ARG 70 2HH2 ARG 70 14.548 -5.640 -12.189 388 H ASN 71 H ASN 71 17.824 -7.162 -4.695 389 HA ASN 71 HA ASN 71 19.878 -8.099 -6.636 390 HB2 ASN 71 1HB ASN 71 20.080 -7.900 -3.611 391 HB3 ASN 71 2HB ASN 71 21.387 -8.071 -4.774 392 HD21 ASN 71 2HD2 ASN 71 19.102 -5.854 -3.290 393 HD22 ASN 71 1HD2 ASN 71 19.835 -4.372 -3.906 394 H THR 72 H THR 72 17.711 -9.314 -4.096 395 HA THR 72 HA THR 72 18.571 -12.149 -4.603 396 HB THR 72 HB THR 72 17.827 -12.475 -2.168 397 HG1 THR 72 1HG THR 72 17.957 -10.469 -0.990 398 HG21 THR 72 3HG2 THR 72 19.916 -11.632 -1.238 399 HG22 THR 72 1HG2 THR 72 20.245 -12.277 -2.857 400 HG23 THR 72 2HG2 THR 72 20.137 -10.518 -2.602 401 H GLN 73 H GLN 73 15.880 -10.064 -4.777 402 HA GLN 73 HA GLN 73 13.691 -10.284 -5.071 403 HB2 GLN 73 1HB GLN 73 14.373 -13.077 -6.064 404 HB3 GLN 73 2HB GLN 73 12.833 -12.264 -6.299 405 HG2 GLN 73 1HG GLN 73 15.514 -11.301 -7.374 406 HG3 GLN 73 2HG GLN 73 14.252 -12.096 -8.300 407 HE21 GLN 73 2HE2 GLN 73 15.393 -9.428 -8.834 408 HE22 GLN 73 1HE2 GLN 73 14.038 -8.319 -8.701 409 H LYS 74 H LYS 74 14.904 -11.204 -2.412 410 HA LYS 74 HA LYS 74 12.899 -12.969 -1.305 411 HB2 LYS 74 1HB LYS 74 13.984 -12.525 0.816 412 HB3 LYS 74 2HB LYS 74 15.142 -12.872 -0.439 413 HG2 LYS 74 1HG LYS 74 16.219 -11.177 0.587 414 HG3 LYS 74 2HG LYS 74 15.353 -10.264 -0.645 415 HD2 LYS 74 1HD LYS 74 13.615 -9.682 1.063 416 HD3 LYS 74 2HD LYS 74 14.540 -10.549 2.283 417 HE2 LYS 74 1HE LYS 74 15.634 -8.210 0.637 418 HE3 LYS 74 2HE LYS 74 14.826 -8.006 2.188 419 HZ1 LYS 74 3HZ LYS 74 17.224 -8.087 2.445 420 HZ2 LYS 74 1HZ LYS 74 16.558 -9.369 3.208 421 HZ3 LYS 74 2HZ LYS 74 17.314 -9.569 1.769 422 H SER 75 H SER 75 10.964 -12.503 -0.372 423 HA SER 75 HA SER 75 9.742 -9.936 -0.975 424 HB2 SER 75 1HB SER 75 8.637 -12.292 0.592 425 HB3 SER 75 2HB SER 75 7.708 -10.966 -0.127 426 HG SER 75 HG SER 75 7.747 -12.910 -1.422 427 H ARG 76 H ARG 76 9.363 -8.206 0.340 428 HA ARG 76 HA ARG 76 10.429 -8.235 3.073 429 HB2 ARG 76 1HB ARG 76 9.181 -6.052 1.381 430 HB3 ARG 76 2HB ARG 76 9.710 -5.876 3.060 431 HG2 ARG 76 1HG ARG 76 12.007 -6.713 2.341 432 HG3 ARG 76 2HG ARG 76 11.484 -6.467 0.666 433 HD2 ARG 76 1HD ARG 76 11.334 -4.130 0.928 434 HD3 ARG 76 2HD ARG 76 11.013 -4.262 2.655 435 HE ARG 76 HE ARG 76 13.731 -4.937 1.694 436 HH11 ARG 76 1HH1 ARG 76 11.722 -2.475 3.227 437 HH12 ARG 76 2HH1 ARG 76 13.055 -1.797 4.092 438 HH21 ARG 76 1HH2 ARG 76 15.393 -3.974 2.718 439 HH22 ARG 76 2HH2 ARG 76 15.137 -2.659 3.841 440 H GLY 77 H GLY 77 7.386 -9.118 1.921 441 HA2 GLY 77 1HA GLY 77 5.521 -9.788 3.195 442 HA3 GLY 77 2HA GLY 77 6.140 -8.888 4.600 443 H TYR 78 H TYR 78 6.228 -6.850 1.917 444 HA TYR 78 HA TYR 78 3.420 -6.034 2.046 445 HB2 TYR 78 1HB TYR 78 3.919 -3.737 2.578 446 HB3 TYR 78 2HB TYR 78 4.625 -4.747 3.827 447 HD1 TYR 78 2HD TYR 78 7.029 -4.983 4.065 448 HD2 TYR 78 1HD TYR 78 5.314 -2.395 1.085 449 HE1 TYR 78 2HE TYR 78 9.213 -3.840 3.802 450 HE2 TYR 78 1HE TYR 78 7.515 -1.234 0.832 451 HH TYR 78 HH TYR 78 9.757 -1.192 1.469 452 H GLY 79 H GLY 79 2.795 -4.443 0.577 453 HA2 GLY 79 1HA GLY 79 4.370 -4.053 -1.917 454 HA3 GLY 79 2HA GLY 79 2.789 -4.831 -1.978 455 H PHE 80 H PHE 80 2.677 -2.886 -3.446 456 HA PHE 80 HA PHE 80 1.212 -0.732 -2.052 457 HB2 PHE 80 1HB PHE 80 3.552 -0.371 -3.938 458 HB3 PHE 80 2HB PHE 80 2.268 0.819 -3.893 459 HD1 PHE 80 1HD PHE 80 4.938 -0.770 -1.820 460 HD2 PHE 80 2HD PHE 80 2.004 2.379 -2.114 461 HE1 PHE 80 1HE PHE 80 5.943 0.374 0.150 462 HE2 PHE 80 2HE PHE 80 3.031 3.507 -0.156 463 HZ PHE 80 HZ PHE 80 4.981 2.495 0.988 464 H VAL 81 H VAL 81 -0.376 0.233 -3.216 465 HA VAL 81 HA VAL 81 -1.091 -0.780 -5.930 466 HB VAL 81 HB VAL 81 -3.052 -0.632 -3.595 467 HG11 VAL 81 1HG1 VAL 81 -4.147 -0.064 -5.701 468 HG12 VAL 81 2HG1 VAL 81 -3.459 -1.496 -6.490 469 HG13 VAL 81 3HG1 VAL 81 -4.657 -1.671 -5.193 470 HG21 VAL 81 3HG2 VAL 81 -3.281 -3.100 -3.875 471 HG22 VAL 81 1HG2 VAL 81 -1.913 -3.077 -5.007 472 HG23 VAL 81 2HG2 VAL 81 -1.687 -2.620 -3.303 473 H THR 82 H THR 82 -2.011 0.832 -7.214 474 HA THR 82 HA THR 82 -2.815 3.403 -5.914 475 HB THR 82 HB THR 82 -1.103 3.152 -8.410 476 HG1 THR 82 1HG THR 82 0.432 4.118 -7.082 477 HG21 THR 82 3HG2 THR 82 -0.999 5.639 -8.270 478 HG22 THR 82 1HG2 THR 82 -2.651 5.092 -8.568 479 HG23 THR 82 2HG2 THR 82 -2.175 5.615 -6.939 480 H MET 83 H MET 83 -4.694 4.168 -6.583 481 HA MET 83 HA MET 83 -6.230 2.539 -8.550 482 HB2 MET 83 1HB MET 83 -7.296 4.469 -6.477 483 HB3 MET 83 2HB MET 83 -8.179 3.252 -7.374 484 HG2 MET 83 1HG MET 83 -6.067 2.737 -5.265 485 HG3 MET 83 2HG MET 83 -7.799 2.547 -5.070 486 HE1 MET 83 3HE MET 83 -8.675 -0.617 -7.086 487 HE2 MET 83 1HE MET 83 -9.227 0.594 -5.900 488 HE3 MET 83 2HE MET 83 -8.839 1.084 -7.566 489 H LYS 84 H LYS 84 -7.480 3.420 -10.193 490 HA LYS 84 HA LYS 84 -6.280 5.682 -11.521 491 HB2 LYS 84 1HB LYS 84 -8.833 4.146 -12.105 492 HB3 LYS 84 2HB LYS 84 -8.107 5.348 -13.179 493 HG2 LYS 84 1HG LYS 84 -5.979 3.834 -13.089 494 HG3 LYS 84 2HG LYS 84 -7.075 2.602 -12.452 495 HD2 LYS 84 1HD LYS 84 -8.524 2.973 -14.516 496 HD3 LYS 84 2HD LYS 84 -7.273 4.071 -15.119 497 HE2 LYS 84 1HE LYS 84 -5.597 2.230 -14.993 498 HE3 LYS 84 2HE LYS 84 -6.851 1.131 -14.406 499 HZ1 LYS 84 3HZ LYS 84 -6.515 0.893 -16.791 500 HZ2 LYS 84 1HZ LYS 84 -8.026 1.448 -16.515 501 HZ3 LYS 84 2HZ LYS 84 -6.864 2.466 -17.058 502 H ASP 85 H ASP 85 -8.998 5.491 -9.362 503 HA ASP 85 HA ASP 85 -9.440 8.426 -9.565 504 HB2 ASP 85 1HB ASP 85 -11.604 6.291 -9.712 505 HB3 ASP 85 2HB ASP 85 -11.917 7.980 -9.342 506 H ARG 86 H ARG 86 -10.094 9.397 -7.707 507 HA ARG 86 HA ARG 86 -9.019 8.463 -5.320 508 HB2 ARG 86 1HB ARG 86 -9.740 10.857 -6.080 509 HB3 ARG 86 2HB ARG 86 -11.314 10.450 -5.390 510 HG2 ARG 86 1HG ARG 86 -9.926 9.809 -3.235 511 HG3 ARG 86 2HG ARG 86 -8.602 10.645 -4.057 512 HD2 ARG 86 1HD ARG 86 -9.624 12.216 -2.565 513 HD3 ARG 86 2HD ARG 86 -10.082 12.689 -4.206 514 HE ARG 86 HE ARG 86 -11.964 10.855 -2.865 515 HH11 ARG 86 1HH1 ARG 86 -11.406 14.317 -3.464 516 HH12 ARG 86 2HH1 ARG 86 -12.961 14.722 -2.795 517 HH21 ARG 86 1HH2 ARG 86 -13.829 11.383 -2.191 518 HH22 ARG 86 2HH2 ARG 86 -14.394 13.051 -2.118 519 H ALA 87 H ALA 87 -12.449 8.345 -6.309 520 HA ALA 87 HA ALA 87 -13.443 7.286 -3.859 521 HB1 ALA 87 1HB ALA 87 -14.762 8.542 -5.550 522 HB2 ALA 87 2HB ALA 87 -14.639 7.157 -6.667 523 HB3 ALA 87 3HB ALA 87 -15.514 7.001 -5.127 524 H SER 88 H SER 88 -11.668 5.621 -6.329 525 HA SER 88 HA SER 88 -12.652 2.932 -5.534 526 HB2 SER 88 1HB SER 88 -10.315 3.771 -7.282 527 HB3 SER 88 2HB SER 88 -10.876 2.115 -7.012 528 HG SER 88 HG SER 88 -12.421 4.220 -8.192 529 H ALA 89 H ALA 89 -9.903 5.126 -4.818 530 HA ALA 89 HA ALA 89 -8.578 3.209 -3.054 531 HB1 ALA 89 1HB ALA 89 -7.300 4.972 -4.176 532 HB2 ALA 89 2HB ALA 89 -8.290 6.218 -3.380 533 HB3 ALA 89 3HB ALA 89 -7.217 5.181 -2.419 534 H GLU 90 H GLU 90 -10.944 5.859 -2.602 535 HA GLU 90 HA GLU 90 -11.134 5.715 0.223 536 HB2 GLU 90 1HB GLU 90 -13.263 6.300 -1.876 537 HB3 GLU 90 2HB GLU 90 -13.525 6.472 -0.139 538 HG2 GLU 90 1HG GLU 90 -11.704 8.099 0.022 539 HG3 GLU 90 2HG GLU 90 -11.365 7.963 -1.688 540 H ARG 91 H ARG 91 -12.739 3.680 -2.258 541 HA ARG 91 HA ARG 91 -14.172 1.999 -0.390 542 HB2 ARG 91 1HB ARG 91 -13.314 1.691 -3.285 543 HB3 ARG 91 2HB ARG 91 -14.141 0.392 -2.416 544 HG2 ARG 91 1HG ARG 91 -16.086 1.735 -2.023 545 HG3 ARG 91 2HG ARG 91 -15.288 3.203 -2.608 546 HD2 ARG 91 1HD ARG 91 -15.145 2.275 -4.881 547 HD3 ARG 91 2HD ARG 91 -15.786 0.730 -4.318 548 HE ARG 91 HE ARG 91 -17.917 1.558 -4.408 549 HH11 ARG 91 1HH1 ARG 91 -15.773 4.388 -4.451 550 HH12 ARG 91 2HH1 ARG 91 -17.099 5.469 -4.794 551 HH21 ARG 91 1HH2 ARG 91 -19.547 3.017 -4.843 552 HH22 ARG 91 2HH2 ARG 91 -19.192 4.708 -5.012 553 H ALA 92 H ALA 92 -10.920 1.734 -1.879 554 HA ALA 92 HA ALA 92 -10.335 -0.854 -0.791 555 HB1 ALA 92 1HB ALA 92 -9.233 0.151 -2.781 556 HB2 ALA 92 2HB ALA 92 -8.474 1.365 -1.729 557 HB3 ALA 92 3HB ALA 92 -8.062 -0.351 -1.551 558 H CYS 93 H CYS 93 -9.578 2.419 0.478 559 HA CYS 93 HA CYS 93 -8.115 1.384 2.748 560 HB2 CYS 93 1HB CYS 93 -7.818 3.646 3.350 561 HB3 CYS 93 2HB CYS 93 -7.864 3.661 1.578 562 HG CYS 93 HG CYS 93 -10.534 4.180 1.500 563 H LYS 94 H LYS 94 -11.464 1.474 2.190 564 HA LYS 94 HA LYS 94 -12.513 2.152 4.703 565 HB2 LYS 94 1HB LYS 94 -13.563 1.794 2.308 566 HB3 LYS 94 2HB LYS 94 -13.713 0.121 2.783 567 HG2 LYS 94 1HG LYS 94 -15.796 1.268 3.135 568 HG3 LYS 94 2HG LYS 94 -15.143 0.760 4.688 569 HD2 LYS 94 1HD LYS 94 -16.171 3.003 4.773 570 HD3 LYS 94 2HD LYS 94 -14.464 3.058 5.210 571 HE2 LYS 94 1HE LYS 94 -13.896 3.842 2.911 572 HE3 LYS 94 2HE LYS 94 -15.602 3.744 2.455 573 HZ1 LYS 94 3HZ LYS 94 -14.971 6.003 3.060 574 HZ2 LYS 94 1HZ LYS 94 -16.076 5.449 4.127 575 HZ3 LYS 94 2HZ LYS 94 -14.497 5.535 4.551 576 H ASP 95 H ASP 95 -11.107 -0.847 3.652 577 HA ASP 95 HA ASP 95 -11.632 -2.101 6.321 578 HB2 ASP 95 1HB ASP 95 -12.620 -3.324 4.443 579 HB3 ASP 95 2HB ASP 95 -11.032 -3.479 3.691 580 HA PRO 96 HA PRO 96 -7.180 -1.150 6.393 581 HB2 PRO 96 1HB PRO 96 -6.738 -1.246 9.072 582 HB3 PRO 96 2HB PRO 96 -7.626 0.099 8.290 583 HG2 PRO 96 1HG PRO 96 -8.789 -2.352 9.659 584 HG3 PRO 96 2HG PRO 96 -9.229 -0.633 9.915 585 HD2 PRO 96 1HD PRO 96 -10.636 -2.272 8.243 586 HD3 PRO 96 2HD PRO 96 -10.403 -0.537 7.872 587 H ASN 97 H ASN 97 -8.783 -4.104 7.355 588 HA ASN 97 HA ASN 97 -6.232 -5.605 7.255 589 HB2 ASN 97 1HB ASN 97 -8.246 -5.887 9.507 590 HB3 ASN 97 2HB ASN 97 -6.853 -6.913 9.229 591 HD21 ASN 97 2HD2 ASN 97 -4.652 -5.597 9.045 592 HD22 ASN 97 1HD2 ASN 97 -4.456 -4.425 10.329 593 HA PRO 98 HA PRO 98 -9.650 -7.393 4.744 594 HB2 PRO 98 1HB PRO 98 -8.331 -7.687 2.368 595 HB3 PRO 98 2HB PRO 98 -9.006 -6.124 2.937 596 HG2 PRO 98 1HG PRO 98 -6.161 -7.149 3.152 597 HG3 PRO 98 2HG PRO 98 -6.716 -5.552 2.570 598 HD2 PRO 98 1HD PRO 98 -5.847 -5.959 5.121 599 HD3 PRO 98 2HD PRO 98 -7.190 -4.840 4.768 600 H ILE 99 H ILE 99 -6.651 -8.816 5.643 601 HA ILE 99 HA ILE 99 -5.931 -10.968 5.901 602 HB ILE 99 HB ILE 99 -8.733 -11.982 5.520 603 HG12 ILE 99 1HG1 ILE 99 -9.125 -10.142 6.990 604 HG13 ILE 99 2HG1 ILE 99 -9.164 -11.620 7.924 605 HG21 ILE 99 1HG2 ILE 99 -6.982 -13.670 5.858 606 HG22 ILE 99 2HG2 ILE 99 -6.400 -12.834 7.302 607 HG23 ILE 99 3HG2 ILE 99 -8.009 -13.584 7.286 608 HD11 ILE 99 3HD1 ILE 99 -8.038 -9.883 9.186 609 HD12 ILE 99 1HD1 ILE 99 -6.842 -11.120 8.765 610 HD13 ILE 99 2HD1 ILE 99 -6.907 -9.579 7.867 611 H ILE 100 H ILE 100 -5.087 -10.230 3.659 612 HA ILE 100 HA ILE 100 -6.127 -11.532 1.289 613 HB ILE 100 HB ILE 100 -3.558 -10.015 1.830 614 HG12 ILE 100 1HG1 ILE 100 -5.962 -9.263 0.104 615 HG13 ILE 100 2HG1 ILE 100 -5.920 -8.901 1.815 616 HG21 ILE 100 1HG2 ILE 100 -3.075 -11.561 -0.026 617 HG22 ILE 100 2HG2 ILE 100 -4.579 -11.089 -0.847 618 HG23 ILE 100 3HG2 ILE 100 -3.249 -9.931 -0.663 619 HD11 ILE 100 3HD1 ILE 100 -5.249 -6.944 0.626 620 HD12 ILE 100 1HD1 ILE 100 -3.834 -7.569 1.490 621 HD13 ILE 100 2HD1 ILE 100 -3.993 -7.823 -0.264 622 H ASP 101 H ASP 101 -5.925 -13.482 0.663 623 HA ASP 101 HA ASP 101 -5.416 -15.617 0.434 624 HB2 ASP 101 1HB ASP 101 -3.228 -14.356 -0.420 625 HB3 ASP 101 2HB ASP 101 -2.479 -15.216 0.917 626 H GLY 102 H GLY 102 -5.864 -14.574 3.238 627 HA2 GLY 102 1HA GLY 102 -6.491 -15.893 5.083 628 HA3 GLY 102 2HA GLY 102 -5.366 -17.174 4.588 629 H ARG 103 H ARG 103 -4.278 -13.835 4.877 630 HA ARG 103 HA ARG 103 -3.201 -14.218 7.613 631 HB2 ARG 103 1HB ARG 103 -1.419 -15.118 6.244 632 HB3 ARG 103 2HB ARG 103 -1.549 -13.791 5.102 633 HG2 ARG 103 1HG ARG 103 0.451 -13.500 6.406 634 HG3 ARG 103 2HG ARG 103 -0.682 -12.213 6.795 635 HD2 ARG 103 1HD ARG 103 -1.339 -13.527 8.870 636 HD3 ARG 103 2HD ARG 103 -0.049 -14.660 8.491 637 HE ARG 103 HE ARG 103 0.236 -11.767 9.243 638 HH11 ARG 103 1HH1 ARG 103 1.884 -14.887 8.845 639 HH12 ARG 103 2HH1 ARG 103 3.312 -14.309 9.647 640 HH21 ARG 103 1HH2 ARG 103 2.100 -11.107 10.191 641 HH22 ARG 103 2HH2 ARG 103 3.445 -12.193 10.378 642 H LYS 104 H LYS 104 -3.150 -12.344 8.767 643 HA LYS 104 HA LYS 104 -4.733 -10.203 7.830 644 HB2 LYS 104 1HB LYS 104 -4.597 -10.931 10.167 645 HB3 LYS 104 2HB LYS 104 -2.954 -10.276 10.283 646 HG2 LYS 104 1HG LYS 104 -3.789 -7.996 9.877 647 HG3 LYS 104 2HG LYS 104 -5.398 -8.610 9.498 648 HD2 LYS 104 1HD LYS 104 -5.390 -7.642 11.709 649 HD3 LYS 104 2HD LYS 104 -5.684 -9.386 11.817 650 HE2 LYS 104 1HE LYS 104 -3.303 -9.758 12.410 651 HE3 LYS 104 2HE LYS 104 -2.980 -8.029 12.239 652 HZ1 LYS 104 3HZ LYS 104 -3.319 -8.637 14.554 653 HZ2 LYS 104 1HZ LYS 104 -4.511 -7.626 14.086 654 HZ3 LYS 104 2HZ LYS 104 -4.810 -9.228 14.246 655 H ALA 105 H ALA 105 -4.159 -9.044 6.166 656 HA ALA 105 HA ALA 105 -1.587 -7.683 5.919 657 HB1 ALA 105 1HB ALA 105 -2.785 -8.520 3.932 658 HB2 ALA 105 2HB ALA 105 -4.172 -7.474 4.314 659 HB3 ALA 105 3HB ALA 105 -2.612 -6.759 3.865 660 H ASN 106 H ASN 106 -1.645 -5.274 5.560 661 HA ASN 106 HA ASN 106 -3.419 -3.819 7.470 662 HB2 ASN 106 1HB ASN 106 -0.393 -3.618 7.396 663 HB3 ASN 106 2HB ASN 106 -1.481 -2.736 8.463 664 HD21 ASN 106 2HD2 ASN 106 0.318 -5.651 8.038 665 HD22 ASN 106 1HD2 ASN 106 -0.396 -6.575 9.359 666 H VAL 107 H VAL 107 -4.412 -2.388 6.226 667 HA VAL 107 HA VAL 107 -3.089 -1.309 3.774 668 HB VAL 107 HB VAL 107 -6.030 -1.585 4.485 669 HG11 VAL 107 1HG1 VAL 107 -5.739 0.328 2.954 670 HG12 VAL 107 2HG1 VAL 107 -4.712 -0.665 1.893 671 HG13 VAL 107 3HG1 VAL 107 -6.438 -1.036 2.078 672 HG21 VAL 107 3HG2 VAL 107 -6.048 -3.313 2.714 673 HG22 VAL 107 1HG2 VAL 107 -4.298 -3.114 2.504 674 HG23 VAL 107 2HG2 VAL 107 -4.945 -3.767 4.022 675 H ASN 108 H ASN 108 -2.756 0.800 3.472 676 HA ASN 108 HA ASN 108 -4.408 2.845 4.687 677 HB2 ASN 108 1HB ASN 108 -2.719 4.021 5.934 678 HB3 ASN 108 2HB ASN 108 -2.863 2.396 6.569 679 HD21 ASN 108 2HD2 ASN 108 -0.938 1.283 6.851 680 HD22 ASN 108 1HD2 ASN 108 0.578 1.759 6.111 681 H LEU 109 H LEU 109 -3.677 5.082 4.024 682 HA LEU 109 HA LEU 109 -3.354 5.099 1.153 683 HB2 LEU 109 1HB LEU 109 -3.726 7.238 3.278 684 HB3 LEU 109 2HB LEU 109 -3.699 7.606 1.556 685 HG LEU 109 HG LEU 109 -5.741 5.785 2.892 686 HD11 LEU 109 1HD1 LEU 109 -5.999 8.157 3.534 687 HD12 LEU 109 2HD1 LEU 109 -5.986 8.633 1.822 688 HD13 LEU 109 3HD1 LEU 109 -7.311 7.638 2.464 689 HD21 LEU 109 3HD2 LEU 109 -6.918 6.006 0.680 690 HD22 LEU 109 1HD2 LEU 109 -5.467 6.813 0.034 691 HD23 LEU 109 2HD2 LEU 109 -5.394 5.116 0.567 692 H ALA 110 H ALA 110 -0.952 4.448 2.823 693 HA ALA 110 HA ALA 110 1.392 4.567 2.559 694 HB1 ALA 110 1HB ALA 110 0.940 4.779 0.144 695 HB2 ALA 110 2HB ALA 110 0.979 6.551 0.304 696 HB3 ALA 110 3HB ALA 110 2.411 5.604 0.704 697 H TYR 111 H TYR 111 0.454 8.046 2.014 698 HA TYR 111 HA TYR 111 2.570 9.146 3.283 699 HB2 TYR 111 1HB TYR 111 1.452 11.172 3.134 700 HB3 TYR 111 2HB TYR 111 0.762 10.181 1.875 701 HD1 TYR 111 1HD TYR 111 -1.548 9.005 2.419 702 HD2 TYR 111 2HD TYR 111 0.060 12.302 4.671 703 HE1 TYR 111 1HE TYR 111 -3.810 9.478 3.324 704 HE2 TYR 111 2HE TYR 111 -2.208 12.816 5.538 705 HH TYR 111 HH TYR 111 -4.430 12.218 5.558 706 H LEU 112 H LEU 112 1.336 7.162 5.580 707 HA LEU 112 HA LEU 112 0.685 9.214 7.627 708 HB2 LEU 112 1HB LEU 112 0.210 6.221 7.831 709 HB3 LEU 112 2HB LEU 112 -0.512 7.526 8.758 710 HG LEU 112 HG LEU 112 -1.071 6.719 5.874 711 HD11 LEU 112 1HD1 LEU 112 -2.252 5.466 7.676 712 HD12 LEU 112 2HD1 LEU 112 -2.931 6.999 8.266 713 HD13 LEU 112 3HD1 LEU 112 -3.350 6.421 6.639 714 HD21 LEU 112 3HD2 LEU 112 -2.762 8.546 5.833 715 HD22 LEU 112 1HD2 LEU 112 -2.051 9.207 7.328 716 HD23 LEU 112 2HD2 LEU 112 -1.100 9.125 5.827 717 H GLY 113 H GLY 113 2.293 6.012 7.614 718 HA2 GLY 113 1HA GLY 113 4.398 6.944 9.496 719 HA3 GLY 113 2HA GLY 113 4.072 5.275 8.965 720 H ALA 114 H ALA 114 4.191 7.624 6.450 721 HA ALA 114 HA ALA 114 6.131 6.289 4.951 722 HB1 ALA 114 1HB ALA 114 4.412 7.717 3.999 723 HB2 ALA 114 2HB ALA 114 5.155 9.159 4.743 724 HB3 ALA 114 3HB ALA 114 6.013 8.257 3.475 725 H LYS 115 H LYS 115 8.311 6.564 4.482 726 HA LYS 115 HA LYS 115 9.893 8.190 6.401 727 HB2 LYS 115 1HB LYS 115 10.911 6.091 4.465 728 HB3 LYS 115 2HB LYS 115 11.787 6.812 5.798 729 HG2 LYS 115 1HG LYS 115 9.581 4.769 5.890 730 HG3 LYS 115 2HG LYS 115 11.245 4.587 6.391 731 HD2 LYS 115 1HD LYS 115 10.887 6.093 8.306 732 HD3 LYS 115 2HD LYS 115 9.203 6.360 7.825 733 HE2 LYS 115 1HE LYS 115 10.406 3.642 8.503 734 HE3 LYS 115 2HE LYS 115 9.476 4.633 9.638 735 HZ1 LYS 115 3HZ LYS 115 8.152 2.900 8.460 736 HZ2 LYS 115 1HZ LYS 115 7.563 4.436 8.205 737 HZ3 LYS 115 2HZ LYS 115 8.423 3.680 7.046 738 HA PRO 116 HA PRO 116 11.197 10.920 3.044 739 HB2 PRO 116 1HB PRO 116 13.589 11.844 3.976 740 HB3 PRO 116 2HB PRO 116 12.017 12.338 4.675 741 HG2 PRO 116 1HG PRO 116 13.919 10.207 5.683 742 HG3 PRO 116 2HG PRO 116 13.099 11.496 6.622 743 HD2 PRO 116 1HD PRO 116 12.155 8.933 6.483 744 HD3 PRO 116 2HD PRO 116 11.041 10.324 6.591 745 H ARG 117 H ARG 117 12.441 10.754 1.193 746 HA ARG 117 HA ARG 117 14.622 8.779 0.933 747 HB2 ARG 117 1HB ARG 117 12.016 8.696 -0.663 748 HB3 ARG 117 2HB ARG 117 13.475 7.824 -1.107 749 HG2 ARG 117 1HG ARG 117 11.864 7.335 1.435 750 HG3 ARG 117 2HG ARG 117 11.751 6.410 -0.056 751 HD2 ARG 117 1HD ARG 117 14.149 5.776 0.148 752 HD3 ARG 117 2HD ARG 117 14.225 6.615 1.706 753 HE ARG 117 HE ARG 117 12.245 5.051 2.340 754 HH11 ARG 117 1HH1 ARG 117 14.751 3.837 0.102 755 HH12 ARG 117 2HH1 ARG 117 14.220 2.194 0.403 756 HH21 ARG 117 1HH2 ARG 117 11.846 3.064 2.738 757 HH22 ARG 117 2HH2 ARG 117 12.755 1.726 2.054 758 H THR 118 H THR 118 16.151 9.665 -0.332 759 HA THR 118 HA THR 118 15.602 11.340 -2.620 760 HB THR 118 HB THR 118 15.237 13.032 -0.908 761 HG1 THR 118 1HG THR 118 16.674 14.497 -1.785 762 HG21 THR 118 3HG2 THR 118 17.046 13.857 0.514 763 HG22 THR 118 1HG2 THR 118 16.709 12.167 0.913 764 HG23 THR 118 2HG2 THR 118 18.138 12.582 -0.060 765 H ASN 119 H ASN 119 17.402 11.826 -3.837 766 HA ASN 119 HA ASN 119 20.070 10.791 -3.009 767 HB2 ASN 119 1HB ASN 119 18.749 10.385 -5.730 768 HB3 ASN 119 2HB ASN 119 20.428 10.003 -5.354 769 HD21 ASN 119 2HD2 ASN 119 20.885 8.269 -3.770 770 HD22 ASN 119 1HD2 ASN 119 19.678 7.017 -3.535 771 H VAL 120 H VAL 120 18.624 13.521 -3.189 772 HA VAL 120 HA VAL 120 20.684 15.013 -4.732 773 HB VAL 120 HB VAL 120 18.961 16.421 -5.811 774 HG11 VAL 120 1HG1 VAL 120 20.048 14.577 -7.059 775 HG12 VAL 120 2HG1 VAL 120 18.694 13.503 -6.630 776 HG13 VAL 120 3HG1 VAL 120 18.412 14.934 -7.636 777 HG21 VAL 120 3HG2 VAL 120 16.640 15.680 -6.035 778 HG22 VAL 120 1HG2 VAL 120 16.937 14.303 -4.957 779 HG23 VAL 120 2HG2 VAL 120 17.019 15.966 -4.333 780 H GLN 121 H GLN 121 20.697 17.300 -4.341 781 HA GLN 121 HA GLN 121 19.289 18.463 -2.068 782 HB2 GLN 121 1HB GLN 121 21.052 17.088 -0.959 783 HB3 GLN 121 2HB GLN 121 22.291 17.952 -1.882 784 HG2 GLN 121 1HG GLN 121 21.630 20.080 -0.778 785 HG3 GLN 121 2HG GLN 121 20.320 19.242 0.057 786 HE21 GLN 121 2HE2 GLN 121 21.167 19.811 2.169 787 HE22 GLN 121 1HE2 GLN 121 22.633 19.048 2.774 788 H5' G 7 H5' G 7 4.598 -9.548 13.248 789 H5'' G 7 H5" G 7 3.723 -10.071 11.796 790 H4' G 7 H4' G 7 5.921 -11.679 13.159 791 H3' G 7 H3' G 7 5.977 -9.757 10.823 792 H2' G 7 H2' G 7 7.378 -11.185 9.676 793 HO2' G 7 2HO G 7 9.064 -11.114 11.301 794 H1' G 7 H1' G 7 6.777 -13.453 11.449 795 H8 G 7 8H G 7 6.872 -15.395 9.918 796 H1 G 7 1H G 7 4.151 -12.221 5.011 797 H21 G 7 1H2 G 7 3.872 -10.153 5.541 798 H22 G 7 2H2 G 7 4.346 -9.536 7.128 799 HO5' G 7 H5T G 7 2.648 -10.590 13.851 800 H5' U 8 H5' U 8 7.402 -6.555 9.708 801 H5'' U 8 H5" U 8 8.343 -5.870 11.041 802 H4' U 8 H4' U 8 6.651 -4.285 10.285 803 H3' U 8 H3' U 8 6.987 -5.059 12.999 804 H2' U 8 H2' U 8 4.948 -6.258 12.975 805 HO2' U 8 2HO U 8 4.482 -3.578 13.759 806 H1' U 8 H1' U 8 3.961 -3.993 11.178 807 H3 U 8 3H U 8 -0.366 -5.306 11.769 808 H5 U 8 5H U 8 1.673 -8.954 11.766 809 H6 U 8 6H U 8 3.782 -7.728 11.357 810 H5' G 9 H5' G 9 9.447 -3.737 11.037 811 H5'' G 9 H5" G 9 9.964 -2.079 10.700 812 H4' G 9 H4' G 9 10.248 -3.278 8.678 813 H3' G 9 H3' G 9 7.653 -1.724 8.532 814 H2' G 9 H2' G 9 7.535 -2.481 6.240 815 HO2' G 9 2HO G 9 10.051 -2.157 6.199 816 H1' G 9 H1' G 9 8.585 -5.010 6.751 817 H8 G 9 8H G 9 6.616 -6.472 6.114 818 H1 G 9 1H G 9 2.266 -2.437 8.639 819 H21 G 9 1H2 G 9 3.377 -0.732 9.664 820 H22 G 9 2H2 G 9 5.132 -0.699 9.590 821 H5' U 10 H5' U 10 7.718 -1.121 4.586 822 H5'' U 10 H5" U 10 9.239 -0.256 4.785 823 H4' U 10 H4' U 10 7.925 0.495 2.833 824 H3' U 10 H3' U 10 9.295 2.221 4.444 825 H2' U 10 H2' U 10 7.331 2.446 5.876 826 HO2' U 10 2HO U 10 7.569 4.688 4.202 827 H1' U 10 H1' U 10 5.903 2.962 3.260 828 H3 U 10 3H U 10 2.050 4.503 4.974 829 H5 U 10 5H U 10 3.688 2.396 8.195 830 H6 U 10 6H U 10 5.500 1.629 6.737 831 H5' G 11 H5' G 11 10.975 3.719 0.158 832 H5'' G 11 H5" G 11 9.745 3.676 -1.088 833 H4' G 11 H4' G 11 10.080 1.656 1.179 834 H3' G 11 H3' G 11 11.532 1.762 -1.136 835 H2' G 11 H2' G 11 9.829 1.920 -2.635 836 HO2' G 11 2HO G 11 9.312 -0.089 -3.594 837 H1' G 11 H1' G 11 7.901 -0.019 -1.328 838 H8 G 11 8H G 11 6.796 3.310 -0.817 839 H1 G 11 1H G 11 5.890 1.794 -7.011 840 H21 G 11 1H2 G 11 7.098 -0.050 -7.478 841 H22 G 11 2H2 G 11 8.041 -0.814 -6.210 842 H5' C 12 H5' C 12 13.883 -1.524 -1.579 843 H5'' C 12 H5" C 12 12.346 -2.399 -1.652 844 H4' C 12 H4' C 12 13.341 -4.351 -0.602 845 H3' C 12 H3' C 12 15.146 -2.694 0.641 846 HO3' C 12 H3T C 12 15.966 -5.338 -0.011 847 H2' C 12 H2' C 12 16.441 -2.000 -1.082 848 HO2' C 12 2HO C 12 17.507 -4.643 -0.727 849 H1' C 12 H1' C 12 16.457 -4.379 -2.824 850 H41 C 12 1H4 C 12 17.007 1.239 -5.941 851 H42 C 12 2H4 C 12 15.269 1.216 -6.239 852 H5 C 12 5H C 12 13.851 -0.552 -5.400 853 H6 C 12 6H C 12 13.794 -2.563 -4.047 Start of MODEL 14 1 H1 GLY 19 1H GLY 19 -15.926 8.327 13.592 2 H2 GLY 19 2H GLY 19 -16.227 8.174 11.991 3 H3 GLY 19 3H GLY 19 -16.064 6.837 12.925 4 HA2 GLY 19 1HA GLY 19 -13.749 7.338 13.351 5 HA3 GLY 19 2HA GLY 19 -14.077 7.148 11.618 6 H SER 20 H SER 20 -11.855 8.576 12.699 7 HA SER 20 HA SER 20 -12.045 11.090 11.286 8 HB2 SER 20 1HB SER 20 -11.589 12.586 13.171 9 HB3 SER 20 2HB SER 20 -13.165 11.820 13.344 10 HG SER 20 HG SER 20 -12.255 10.378 14.868 11 H THR 21 H THR 21 -9.942 12.366 11.540 12 HA THR 21 HA THR 21 -7.558 11.031 12.467 13 HB THR 21 HB THR 21 -7.995 9.716 10.417 14 HG1 THR 21 1HG THR 21 -5.889 9.956 9.691 15 HG21 THR 21 3HG2 THR 21 -7.675 10.694 8.205 16 HG22 THR 21 1HG2 THR 21 -9.050 11.479 8.994 17 HG23 THR 21 2HG2 THR 21 -7.486 12.316 8.897 18 H ASN 22 H ASN 22 -5.665 12.319 12.172 19 HA ASN 22 HA ASN 22 -6.271 15.186 12.327 20 HB2 ASN 22 1HB ASN 22 -4.924 13.976 14.054 21 HB3 ASN 22 2HB ASN 22 -3.673 13.695 12.843 22 HD21 ASN 22 2HD2 ASN 22 -2.098 14.917 14.050 23 HD22 ASN 22 1HD2 ASN 22 -2.214 16.663 14.183 24 H ALA 23 H ALA 23 -6.753 14.522 9.803 25 HA ALA 23 HA ALA 23 -4.805 15.976 8.181 26 HB1 ALA 23 1HB ALA 23 -3.792 13.715 8.195 27 HB2 ALA 23 2HB ALA 23 -5.333 13.008 7.662 28 HB3 ALA 23 3HB ALA 23 -4.433 14.099 6.589 29 H GLU 24 H GLU 24 -5.625 16.608 6.154 30 HA GLU 24 HA GLU 24 -8.312 15.940 5.270 31 HB2 GLU 24 1HB GLU 24 -8.728 17.470 7.206 32 HB3 GLU 24 2HB GLU 24 -7.749 18.710 6.423 33 HG2 GLU 24 1HG GLU 24 -9.373 18.801 4.548 34 HG3 GLU 24 2HG GLU 24 -10.310 17.500 5.293 35 HA PRO 25 HA PRO 25 -6.075 17.359 1.604 36 HB2 PRO 25 1HB PRO 25 -8.068 17.250 -0.282 37 HB3 PRO 25 2HB PRO 25 -7.295 15.792 0.411 38 HG2 PRO 25 1HG PRO 25 -9.902 17.094 1.248 39 HG3 PRO 25 2HG PRO 25 -9.586 15.362 0.907 40 HD2 PRO 25 1HD PRO 25 -9.582 16.346 3.437 41 HD3 PRO 25 2HD PRO 25 -8.421 15.079 2.941 42 H VAL 26 H VAL 26 -5.692 19.328 0.609 43 HA VAL 26 HA VAL 26 -6.899 21.608 1.816 44 HB VAL 26 HB VAL 26 -4.504 21.303 1.128 45 HG11 VAL 26 1HG1 VAL 26 -4.816 20.594 -1.213 46 HG12 VAL 26 2HG1 VAL 26 -5.445 22.203 -1.628 47 HG13 VAL 26 3HG1 VAL 26 -3.768 22.011 -1.088 48 HG21 VAL 26 3HG2 VAL 26 -4.039 23.628 0.838 49 HG22 VAL 26 1HG2 VAL 26 -5.668 23.965 0.240 50 HG23 VAL 26 2HG2 VAL 26 -5.423 23.472 1.931 51 H VAL 27 H VAL 27 -8.027 19.904 -0.779 52 HA VAL 27 HA VAL 27 -9.801 20.090 -2.143 53 HB VAL 27 HB VAL 27 -10.213 23.011 -1.360 54 HG11 VAL 27 1HG1 VAL 27 -11.292 22.447 -3.488 55 HG12 VAL 27 2HG1 VAL 27 -12.018 20.995 -2.762 56 HG13 VAL 27 3HG1 VAL 27 -12.502 22.615 -2.216 57 HG21 VAL 27 3HG2 VAL 27 -12.031 22.120 0.091 58 HG22 VAL 27 1HG2 VAL 27 -11.512 20.461 -0.277 59 HG23 VAL 27 2HG2 VAL 27 -10.452 21.554 0.638 60 H GLY 28 H GLY 28 -9.672 20.107 -4.275 61 HA2 GLY 28 1HA GLY 28 -8.934 20.645 -6.433 62 HA3 GLY 28 2HA GLY 28 -8.156 22.122 -5.812 63 H SER 29 H SER 29 -7.339 19.369 -3.984 64 HA SER 29 HA SER 29 -4.599 19.480 -4.357 65 HB2 SER 29 1HB SER 29 -6.110 16.957 -3.612 66 HB3 SER 29 2HB SER 29 -4.525 17.497 -3.041 67 HG SER 29 HG SER 29 -6.232 17.795 -1.509 68 H ARG 30 H ARG 30 -3.099 18.529 -5.689 69 HA ARG 30 HA ARG 30 -4.058 16.807 -7.938 70 HB2 ARG 30 1HB ARG 30 -1.638 18.642 -7.756 71 HB3 ARG 30 2HB ARG 30 -2.104 17.671 -9.160 72 HG2 ARG 30 1HG ARG 30 -4.274 18.906 -9.283 73 HG3 ARG 30 2HG ARG 30 -3.728 19.950 -7.954 74 HD2 ARG 30 1HD ARG 30 -1.779 20.657 -9.312 75 HD3 ARG 30 2HD ARG 30 -2.354 19.641 -10.651 76 HE ARG 30 HE ARG 30 -4.458 21.380 -9.848 77 HH11 ARG 30 1HH1 ARG 30 -1.340 21.626 -11.500 78 HH12 ARG 30 2HH1 ARG 30 -1.818 23.042 -12.390 79 HH21 ARG 30 1HH2 ARG 30 -5.014 23.205 -11.026 80 HH22 ARG 30 2HH2 ARG 30 -3.871 23.922 -12.122 81 H ASP 31 H ASP 31 -2.961 16.107 -5.098 82 HA ASP 31 HA ASP 31 -0.476 14.667 -5.658 83 HB2 ASP 31 1HB ASP 31 -2.041 15.049 -3.077 84 HB3 ASP 31 2HB ASP 31 -0.412 14.394 -3.226 85 H THR 32 H THR 32 -0.073 12.524 -5.179 86 HA THR 32 HA THR 32 -2.272 10.606 -5.527 87 HB THR 32 HB THR 32 -0.386 8.963 -5.659 88 HG1 THR 32 1HG THR 32 1.713 9.888 -5.765 89 HG21 THR 32 3HG2 THR 32 0.444 9.754 -7.821 90 HG22 THR 32 1HG2 THR 32 -1.288 10.097 -7.671 91 HG23 THR 32 2HG2 THR 32 -0.113 11.413 -7.466 92 H MET 33 H MET 33 -1.096 12.110 -2.855 93 HA MET 33 HA MET 33 -0.758 10.152 -0.857 94 HB2 MET 33 1HB MET 33 -2.095 12.892 -0.760 95 HB3 MET 33 2HB MET 33 -1.673 11.946 0.671 96 HG2 MET 33 1HG MET 33 0.680 12.035 0.154 97 HG3 MET 33 2HG MET 33 0.378 12.747 -1.426 98 HE1 MET 33 3HE MET 33 0.000 14.953 2.619 99 HE2 MET 33 1HE MET 33 -1.060 13.595 2.197 100 HE3 MET 33 2HE MET 33 0.688 13.332 2.393 101 H PHE 34 H PHE 34 -3.656 10.935 -2.575 102 HA PHE 34 HA PHE 34 -5.375 9.478 -0.626 103 HB2 PHE 34 1HB PHE 34 -6.248 11.342 -2.820 104 HB3 PHE 34 2HB PHE 34 -7.176 10.832 -1.416 105 HD1 PHE 34 1HD PHE 34 -5.873 11.468 0.941 106 HD2 PHE 34 2HD PHE 34 -5.419 13.483 -2.842 107 HE1 PHE 34 1HE PHE 34 -4.963 13.461 2.115 108 HE2 PHE 34 2HE PHE 34 -4.487 15.472 -1.666 109 HZ PHE 34 HZ PHE 34 -4.257 15.459 0.811 110 H THR 35 H THR 35 -3.742 8.687 -3.375 111 HA THR 35 HA THR 35 -5.824 6.727 -4.273 112 HB THR 35 HB THR 35 -4.969 6.976 -6.579 113 HG1 THR 35 1HG THR 35 -3.732 8.797 -7.054 114 HG21 THR 35 3HG2 THR 35 -6.192 8.970 -7.145 115 HG22 THR 35 1HG2 THR 35 -7.024 8.178 -5.795 116 HG23 THR 35 2HG2 THR 35 -6.013 9.615 -5.497 117 H LYS 36 H LYS 36 -2.445 7.364 -3.632 118 HA LYS 36 HA LYS 36 -1.586 4.680 -4.449 119 HB2 LYS 36 1HB LYS 36 -0.229 6.734 -4.811 120 HB3 LYS 36 2HB LYS 36 -0.128 6.964 -3.059 121 HG2 LYS 36 1HG LYS 36 1.047 4.772 -2.851 122 HG3 LYS 36 2HG LYS 36 0.941 4.558 -4.609 123 HD2 LYS 36 1HD LYS 36 2.280 6.591 -4.966 124 HD3 LYS 36 2HD LYS 36 2.327 6.898 -3.214 125 HE2 LYS 36 1HE LYS 36 3.517 4.758 -2.855 126 HE3 LYS 36 2HE LYS 36 3.438 4.407 -4.585 127 HZ1 LYS 36 3HZ LYS 36 5.562 5.335 -3.914 128 HZ2 LYS 36 1HZ LYS 36 4.834 6.312 -5.007 129 HZ3 LYS 36 2HZ LYS 36 4.864 6.733 -3.417 130 H ILE 37 H ILE 37 -1.504 2.968 -3.168 131 HA ILE 37 HA ILE 37 -2.069 3.194 -0.234 132 HB ILE 37 HB ILE 37 -3.085 1.017 -2.097 133 HG12 ILE 37 1HG1 ILE 37 -4.620 3.520 -1.278 134 HG13 ILE 37 2HG1 ILE 37 -4.056 3.151 -2.908 135 HG21 ILE 37 1HG2 ILE 37 -2.931 0.605 0.388 136 HG22 ILE 37 2HG2 ILE 37 -4.083 1.938 0.622 137 HG23 ILE 37 3HG2 ILE 37 -4.559 0.475 -0.267 138 HD11 ILE 37 3HD1 ILE 37 -6.389 2.665 -2.800 139 HD12 ILE 37 1HD1 ILE 37 -5.501 1.141 -2.979 140 HD13 ILE 37 2HD1 ILE 37 -6.177 1.610 -1.395 141 H PHE 38 H PHE 38 -0.573 2.327 0.987 142 HA PHE 38 HA PHE 38 1.410 0.340 0.028 143 HB2 PHE 38 1HB PHE 38 2.343 2.076 1.394 144 HB3 PHE 38 2HB PHE 38 1.014 2.012 2.528 145 HD1 PHE 38 2HD PHE 38 4.191 0.253 1.485 146 HD2 PHE 38 1HD PHE 38 0.935 0.492 4.341 147 HE1 PHE 38 2HE PHE 38 5.429 -1.165 3.079 148 HE2 PHE 38 1HE PHE 38 2.169 -1.028 5.864 149 HZ PHE 38 HZ PHE 38 4.428 -1.875 5.214 150 H VAL 39 H VAL 39 1.205 -1.802 0.514 151 HA VAL 39 HA VAL 39 -0.985 -2.672 2.358 152 HB VAL 39 HB VAL 39 -0.519 -3.889 -0.390 153 HG11 VAL 39 1HG1 VAL 39 -1.234 -5.616 1.098 154 HG12 VAL 39 2HG1 VAL 39 -2.337 -4.548 1.967 155 HG13 VAL 39 3HG1 VAL 39 -2.729 -5.076 0.323 156 HG21 VAL 39 3HG2 VAL 39 -2.746 -3.043 -0.955 157 HG22 VAL 39 1HG2 VAL 39 -2.835 -2.178 0.600 158 HG23 VAL 39 2HG2 VAL 39 -1.639 -1.716 -0.632 159 H GLY 40 H GLY 40 0.383 -3.238 3.952 160 HA2 GLY 40 1HA GLY 40 2.501 -5.282 3.398 161 HA3 GLY 40 2HA GLY 40 2.473 -4.247 4.808 162 H GLY 41 H GLY 41 2.900 -6.485 5.646 163 HA2 GLY 41 1HA GLY 41 2.233 -8.282 6.915 164 HA3 GLY 41 2HA GLY 41 0.562 -7.663 6.871 165 H LEU 42 H LEU 42 2.092 -8.245 3.824 166 HA LEU 42 HA LEU 42 0.155 -10.308 3.114 167 HB2 LEU 42 1HB LEU 42 2.558 -9.132 1.640 168 HB3 LEU 42 2HB LEU 42 1.416 -10.260 0.926 169 HG LEU 42 HG LEU 42 0.716 -7.462 1.927 170 HD11 LEU 42 1HD1 LEU 42 2.151 -7.464 -0.092 171 HD12 LEU 42 2HD1 LEU 42 1.008 -8.546 -0.910 172 HD13 LEU 42 3HD1 LEU 42 0.512 -6.901 -0.457 173 HD21 LEU 42 3HD2 LEU 42 -1.440 -7.885 0.679 174 HD22 LEU 42 1HD2 LEU 42 -0.958 -9.582 0.500 175 HD23 LEU 42 2HD2 LEU 42 -1.245 -8.894 2.114 176 HA PRO 43 HA PRO 43 2.967 -13.735 3.971 177 HB2 PRO 43 1HB PRO 43 1.842 -15.727 2.530 178 HB3 PRO 43 2HB PRO 43 1.105 -15.098 4.033 179 HG2 PRO 43 1HG PRO 43 0.380 -14.444 1.181 180 HG3 PRO 43 2HG PRO 43 -0.717 -14.768 2.557 181 HD2 PRO 43 1HD PRO 43 -0.024 -12.220 1.682 182 HD3 PRO 43 2HD PRO 43 -0.497 -12.580 3.358 183 H TYR 44 H TYR 44 4.795 -14.562 2.907 184 HA TYR 44 HA TYR 44 5.773 -12.980 0.789 185 HB2 TYR 44 1HB TYR 44 6.778 -15.620 1.899 186 HB3 TYR 44 2HB TYR 44 7.716 -14.575 0.855 187 HD1 TYR 44 1HD TYR 44 6.516 -11.953 2.530 188 HD2 TYR 44 2HD TYR 44 8.694 -15.570 3.429 189 HE1 TYR 44 1HE TYR 44 7.547 -10.852 4.496 190 HE2 TYR 44 2HE TYR 44 9.723 -14.460 5.396 191 HH TYR 44 HH TYR 44 9.874 -12.527 6.641 192 H HIS 45 H HIS 45 3.738 -15.633 0.366 193 HA HIS 45 HA HIS 45 4.693 -16.230 -2.383 194 HB2 HIS 45 1HB HIS 45 3.102 -18.104 -2.273 195 HB3 HIS 45 2HB HIS 45 4.315 -18.132 -1.003 196 HD2 HIS 45 2HD HIS 45 3.198 -19.203 1.044 197 HE1 HIS 45 1HE HIS 45 -0.507 -17.113 1.061 198 HE2 HIS 45 2HE HIS 45 0.915 -18.828 2.296 199 H THR 46 H THR 46 2.543 -13.991 -1.045 200 HA THR 46 HA THR 46 0.528 -13.878 -3.135 201 HB THR 46 HB THR 46 1.592 -11.811 -1.174 202 HG1 THR 46 1HG THR 46 -0.568 -12.310 -0.347 203 HG21 THR 46 3HG2 THR 46 -0.358 -10.447 -1.658 204 HG22 THR 46 1HG2 THR 46 0.528 -10.655 -3.168 205 HG23 THR 46 2HG2 THR 46 -0.945 -11.605 -2.856 206 H SER 47 H SER 47 0.666 -13.094 -5.152 207 HA SER 47 HA SER 47 3.217 -11.838 -6.073 208 HB2 SER 47 1HB SER 47 2.420 -13.969 -7.123 209 HB3 SER 47 2HB SER 47 0.979 -13.107 -7.687 210 HG SER 47 HG SER 47 2.755 -13.223 -9.237 211 H ASP 48 H ASP 48 2.888 -10.216 -7.889 212 HA ASP 48 HA ASP 48 1.237 -7.998 -7.030 213 HB2 ASP 48 1HB ASP 48 1.987 -6.904 -9.050 214 HB3 ASP 48 2HB ASP 48 3.338 -7.643 -8.202 215 H LYS 49 H LYS 49 0.720 -10.674 -9.281 216 HA LYS 49 HA LYS 49 -1.774 -9.651 -10.369 217 HB2 LYS 49 1HB LYS 49 -0.318 -11.370 -11.447 218 HB3 LYS 49 2HB LYS 49 -0.756 -12.520 -10.173 219 HG2 LYS 49 1HG LYS 49 -3.160 -12.298 -10.832 220 HG3 LYS 49 2HG LYS 49 -2.702 -11.175 -12.116 221 HD2 LYS 49 1HD LYS 49 -1.797 -14.084 -11.896 222 HD3 LYS 49 2HD LYS 49 -3.121 -13.493 -12.911 223 HE2 LYS 49 1HE LYS 49 -1.515 -12.030 -14.146 224 HE3 LYS 49 2HE LYS 49 -0.189 -12.674 -13.168 225 HZ1 LYS 49 3HZ LYS 49 -0.365 -13.832 -15.284 226 HZ2 LYS 49 1HZ LYS 49 -0.682 -14.879 -14.072 227 HZ3 LYS 49 2HZ LYS 49 -1.905 -14.282 -14.978 228 H THR 50 H THR 50 -0.972 -11.845 -7.649 229 HA THR 50 HA THR 50 -3.589 -12.503 -6.766 230 HB THR 50 HB THR 50 -1.214 -12.016 -4.944 231 HG1 THR 50 1HG THR 50 -1.696 -14.333 -6.501 232 HG21 THR 50 3HG2 THR 50 -2.096 -13.990 -3.733 233 HG22 THR 50 1HG2 THR 50 -3.286 -12.683 -3.798 234 HG23 THR 50 2HG2 THR 50 -3.455 -14.085 -4.877 235 H LEU 51 H LEU 51 -1.461 -9.764 -5.852 236 HA LEU 51 HA LEU 51 -3.424 -8.614 -4.090 237 HB2 LEU 51 1HB LEU 51 -0.927 -8.336 -3.895 238 HB3 LEU 51 2HB LEU 51 -0.939 -7.409 -5.392 239 HG LEU 51 HG LEU 51 -2.422 -5.696 -4.257 240 HD11 LEU 51 1HD1 LEU 51 -3.396 -7.087 -2.475 241 HD12 LEU 51 2HD1 LEU 51 -1.785 -7.315 -1.753 242 HD13 LEU 51 3HD1 LEU 51 -2.534 -5.703 -1.805 243 HD21 LEU 51 3HD2 LEU 51 -0.580 -4.728 -2.899 244 HD22 LEU 51 1HD2 LEU 51 0.280 -6.278 -2.976 245 HD23 LEU 51 2HD2 LEU 51 -0.022 -5.346 -4.463 246 H HIS 52 H HIS 52 -2.634 -7.962 -7.522 247 HA HIS 52 HA HIS 52 -4.400 -5.727 -7.827 248 HB2 HIS 52 1HB HIS 52 -2.719 -6.386 -9.504 249 HB3 HIS 52 2HB HIS 52 -3.564 -7.897 -9.793 250 HD2 HIS 52 2HD HIS 52 -3.752 -4.148 -10.634 251 HE1 HIS 52 1HE HIS 52 -6.798 -6.076 -12.892 252 HE2 HIS 52 2HE HIS 52 -5.522 -3.899 -12.554 253 H GLU 53 H GLU 53 -4.962 -9.244 -7.943 254 HA GLU 53 HA GLU 53 -7.668 -9.128 -8.913 255 HB2 GLU 53 1HB GLU 53 -5.983 -11.227 -7.535 256 HB3 GLU 53 2HB GLU 53 -7.713 -11.499 -7.805 257 HG2 GLU 53 1HG GLU 53 -7.412 -11.084 -10.230 258 HG3 GLU 53 2HG GLU 53 -5.677 -10.899 -9.991 259 H TYR 54 H TYR 54 -6.346 -9.145 -5.557 260 HA TYR 54 HA TYR 54 -8.937 -9.348 -4.331 261 HB2 TYR 54 1HB TYR 54 -6.741 -9.886 -3.238 262 HB3 TYR 54 2HB TYR 54 -6.408 -8.157 -3.134 263 HD1 TYR 54 2HD TYR 54 -8.713 -10.880 -2.063 264 HD2 TYR 54 1HD TYR 54 -7.522 -6.781 -1.441 265 HE1 TYR 54 2HE TYR 54 -10.229 -10.745 -0.098 266 HE2 TYR 54 1HE TYR 54 -9.048 -6.637 0.517 267 HH TYR 54 HH TYR 54 -11.110 -9.399 1.541 268 H PHE 55 H PHE 55 -7.157 -6.552 -5.563 269 HA PHE 55 HA PHE 55 -8.888 -4.659 -4.157 270 HB2 PHE 55 1HB PHE 55 -6.406 -4.442 -5.833 271 HB3 PHE 55 2HB PHE 55 -7.415 -3.024 -5.618 272 HD1 PHE 55 1HD PHE 55 -5.896 -5.765 -3.484 273 HD2 PHE 55 2HD PHE 55 -6.997 -1.608 -3.819 274 HE1 PHE 55 1HE PHE 55 -4.971 -5.339 -1.232 275 HE2 PHE 55 2HE PHE 55 -6.066 -1.189 -1.560 276 HZ PHE 55 HZ PHE 55 -5.089 -3.057 -0.248 277 H GLU 56 H GLU 56 -9.354 -6.314 -7.094 278 HA GLU 56 HA GLU 56 -10.544 -4.222 -8.636 279 HB2 GLU 56 1HB GLU 56 -11.182 -7.196 -8.681 280 HB3 GLU 56 2HB GLU 56 -11.650 -6.001 -9.901 281 HG2 GLU 56 1HG GLU 56 -9.178 -5.519 -10.212 282 HG3 GLU 56 2HG GLU 56 -8.873 -6.984 -9.266 283 H GLN 57 H GLN 57 -11.748 -5.785 -5.825 284 HA GLN 57 HA GLN 57 -14.586 -5.360 -6.304 285 HB2 GLN 57 1HB GLN 57 -14.902 -6.152 -4.086 286 HB3 GLN 57 2HB GLN 57 -13.608 -7.120 -4.790 287 HG2 GLN 57 1HG GLN 57 -11.948 -5.580 -3.590 288 HG3 GLN 57 2HG GLN 57 -13.327 -4.834 -2.790 289 HE21 GLN 57 2HE2 GLN 57 -11.017 -7.301 -2.493 290 HE22 GLN 57 1HE2 GLN 57 -11.826 -8.191 -1.208 291 H PHE 58 H PHE 58 -12.044 -3.205 -5.426 292 HA PHE 58 HA PHE 58 -13.837 -1.339 -3.978 293 HB2 PHE 58 1HB PHE 58 -10.863 -1.157 -4.538 294 HB3 PHE 58 2HB PHE 58 -11.784 -0.182 -3.409 295 HD1 PHE 58 2HD PHE 58 -13.334 -1.970 -1.769 296 HD2 PHE 58 1HD PHE 58 -9.385 -2.539 -3.397 297 HE1 PHE 58 2HE PHE 58 -12.799 -3.542 0.072 298 HE2 PHE 58 1HE PHE 58 -8.854 -4.124 -1.561 299 HZ PHE 58 HZ PHE 58 -10.565 -4.630 0.176 300 H GLY 59 H GLY 59 -12.675 -1.795 -7.184 301 HA2 GLY 59 1HA GLY 59 -13.928 -0.168 -8.752 302 HA3 GLY 59 2HA GLY 59 -13.048 1.094 -7.895 303 H ASP 60 H ASP 60 -11.797 1.850 -9.498 304 HA ASP 60 HA ASP 60 -10.593 0.030 -11.482 305 HB2 ASP 60 1HB ASP 60 -10.840 3.052 -11.300 306 HB3 ASP 60 2HB ASP 60 -9.989 2.201 -12.589 307 H ILE 61 H ILE 61 -8.617 -0.745 -11.307 308 HA ILE 61 HA ILE 61 -6.626 0.452 -9.460 309 HB ILE 61 HB ILE 61 -6.474 -2.128 -11.033 310 HG12 ILE 61 1HG1 ILE 61 -7.164 -1.805 -8.073 311 HG13 ILE 61 2HG1 ILE 61 -8.391 -2.035 -9.318 312 HG21 ILE 61 1HG2 ILE 61 -4.265 -1.311 -10.386 313 HG22 ILE 61 2HG2 ILE 61 -4.829 -0.938 -8.742 314 HG23 ILE 61 3HG2 ILE 61 -4.676 -2.611 -9.278 315 HD11 ILE 61 3HD1 ILE 61 -7.989 -4.164 -8.407 316 HD12 ILE 61 1HD1 ILE 61 -7.268 -4.165 -10.007 317 HD13 ILE 61 2HD1 ILE 61 -6.234 -4.016 -8.562 318 H GLU 62 H GLU 62 -4.886 1.551 -10.099 319 HA GLU 62 HA GLU 62 -4.462 2.180 -12.966 320 HB2 GLU 62 1HB GLU 62 -4.779 3.939 -11.152 321 HB3 GLU 62 2HB GLU 62 -3.280 3.392 -10.438 322 HG2 GLU 62 1HG GLU 62 -2.872 5.368 -11.623 323 HG3 GLU 62 2HG GLU 62 -2.060 4.065 -12.492 324 H GLU 63 H GLU 63 -2.818 0.773 -10.120 325 HA GLU 63 HA GLU 63 -0.930 -0.732 -11.709 326 HB2 GLU 63 1HB GLU 63 0.144 1.546 -11.666 327 HB3 GLU 63 2HB GLU 63 0.147 1.489 -9.903 328 HG2 GLU 63 1HG GLU 63 1.683 -0.415 -9.927 329 HG3 GLU 63 2HG GLU 63 1.542 -0.557 -11.682 330 H ALA 64 H ALA 64 0.092 -2.369 -10.395 331 HA ALA 64 HA ALA 64 -0.286 -2.365 -7.496 332 HB1 ALA 64 1HB ALA 64 -2.420 -3.325 -8.257 333 HB2 ALA 64 2HB ALA 64 -1.541 -4.499 -9.262 334 HB3 ALA 64 3HB ALA 64 -1.426 -4.581 -7.490 335 H VAL 65 H VAL 65 1.289 -3.493 -6.469 336 HA VAL 65 HA VAL 65 3.160 -5.294 -7.902 337 HB VAL 65 HB VAL 65 5.132 -3.998 -7.191 338 HG11 VAL 65 1HG1 VAL 65 4.294 -3.784 -9.517 339 HG12 VAL 65 2HG1 VAL 65 3.397 -2.322 -9.037 340 HG13 VAL 65 3HG1 VAL 65 5.165 -2.354 -8.943 341 HG21 VAL 65 3HG2 VAL 65 4.958 -1.621 -6.578 342 HG22 VAL 65 1HG2 VAL 65 3.193 -1.739 -6.540 343 HG23 VAL 65 2HG2 VAL 65 4.184 -2.645 -5.371 344 H VAL 66 H VAL 66 4.685 -6.350 -6.477 345 HA VAL 66 HA VAL 66 4.239 -6.067 -3.545 346 HB VAL 66 HB VAL 66 4.458 -8.718 -5.023 347 HG11 VAL 66 1HG1 VAL 66 5.826 -8.843 -2.977 348 HG12 VAL 66 2HG1 VAL 66 4.506 -8.131 -2.021 349 HG13 VAL 66 3HG1 VAL 66 4.330 -9.744 -2.736 350 HG21 VAL 66 3HG2 VAL 66 2.293 -9.208 -3.923 351 HG22 VAL 66 1HG2 VAL 66 2.288 -7.594 -3.185 352 HG23 VAL 66 2HG2 VAL 66 2.150 -7.774 -4.945 353 H ILE 67 H ILE 67 6.117 -5.950 -2.390 354 HA ILE 67 HA ILE 67 8.467 -5.276 -4.004 355 HB ILE 67 HB ILE 67 7.975 -5.157 -1.012 356 HG12 ILE 67 1HG1 ILE 67 6.485 -3.584 -1.956 357 HG13 ILE 67 2HG1 ILE 67 7.893 -2.684 -1.424 358 HG21 ILE 67 1HG2 ILE 67 10.411 -5.237 -1.530 359 HG22 ILE 67 2HG2 ILE 67 10.213 -3.818 -2.575 360 HG23 ILE 67 3HG2 ILE 67 9.892 -3.708 -0.827 361 HD11 ILE 67 3HD1 ILE 67 7.215 -1.720 -3.434 362 HD12 ILE 67 1HD1 ILE 67 8.713 -2.612 -3.795 363 HD13 ILE 67 2HD1 ILE 67 7.136 -3.284 -4.281 364 H THR 68 H THR 68 9.865 -6.665 -4.657 365 HA THR 68 HA THR 68 10.939 -8.754 -2.834 366 HB THR 68 HB THR 68 11.660 -9.948 -4.936 367 HG1 THR 68 1HG THR 68 10.447 -9.446 -6.810 368 HG21 THR 68 3HG2 THR 68 9.480 -11.024 -5.319 369 HG22 THR 68 1HG2 THR 68 9.749 -10.744 -3.594 370 HG23 THR 68 2HG2 THR 68 8.649 -9.682 -4.501 371 H ASP 69 H ASP 69 13.024 -8.608 -2.418 372 HA ASP 69 HA ASP 69 14.251 -6.168 -2.595 373 HB2 ASP 69 1HB ASP 69 14.650 -8.158 -1.068 374 HB3 ASP 69 2HB ASP 69 15.723 -8.795 -2.296 375 H ARG 70 H ARG 70 15.576 -5.034 -3.984 376 HA ARG 70 HA ARG 70 16.002 -5.950 -6.629 377 HB2 ARG 70 1HB ARG 70 17.169 -3.621 -5.097 378 HB3 ARG 70 2HB ARG 70 17.657 -3.992 -6.754 379 HG2 ARG 70 1HG ARG 70 15.220 -3.950 -7.446 380 HG3 ARG 70 2HG ARG 70 14.829 -3.379 -5.819 381 HD2 ARG 70 1HD ARG 70 14.976 -1.444 -7.217 382 HD3 ARG 70 2HD ARG 70 16.417 -1.460 -6.198 383 HE ARG 70 HE ARG 70 16.367 -2.389 -9.050 384 HH11 ARG 70 1HH1 ARG 70 18.079 -0.585 -6.518 385 HH12 ARG 70 2HH1 ARG 70 19.427 -0.245 -7.562 386 HH21 ARG 70 1HH2 ARG 70 18.130 -1.902 -10.323 387 HH22 ARG 70 2HH2 ARG 70 19.447 -0.969 -9.682 388 H ASN 71 H ASN 71 17.885 -6.642 -3.825 389 HA ASN 71 HA ASN 71 20.339 -7.330 -5.358 390 HB2 ASN 71 1HB ASN 71 19.933 -7.298 -2.348 391 HB3 ASN 71 2HB ASN 71 21.451 -7.299 -3.234 392 HD21 ASN 71 2HD2 ASN 71 18.765 -5.369 -2.105 393 HD22 ASN 71 1HD2 ASN 71 19.455 -3.792 -2.488 394 H THR 72 H THR 72 17.796 -8.844 -3.423 395 HA THR 72 HA THR 72 18.968 -11.577 -3.840 396 HB THR 72 HB THR 72 17.933 -12.031 -1.508 397 HG1 THR 72 1HG THR 72 17.918 -10.051 -0.267 398 HG21 THR 72 3HG2 THR 72 19.884 -11.180 -0.331 399 HG22 THR 72 1HG2 THR 72 20.404 -11.763 -1.922 400 HG23 THR 72 2HG2 THR 72 20.228 -10.016 -1.627 401 H GLN 73 H GLN 73 16.156 -9.723 -4.314 402 HA GLN 73 HA GLN 73 14.031 -10.140 -4.862 403 HB2 GLN 73 1HB GLN 73 15.304 -12.682 -5.934 404 HB3 GLN 73 2HB GLN 73 13.622 -12.268 -6.230 405 HG2 GLN 73 1HG GLN 73 15.905 -10.382 -6.954 406 HG3 GLN 73 2HG GLN 73 15.260 -11.602 -8.046 407 HE21 GLN 73 2HE2 GLN 73 14.518 -8.475 -6.473 408 HE22 GLN 73 1HE2 GLN 73 13.029 -8.224 -7.369 409 H LYS 74 H LYS 74 15.002 -11.157 -2.112 410 HA LYS 74 HA LYS 74 12.953 -13.069 -1.373 411 HB2 LYS 74 1HB LYS 74 13.768 -12.700 0.885 412 HB3 LYS 74 2HB LYS 74 15.094 -12.922 -0.231 413 HG2 LYS 74 1HG LYS 74 15.937 -11.192 0.980 414 HG3 LYS 74 2HG LYS 74 15.141 -10.283 -0.301 415 HD2 LYS 74 1HD LYS 74 13.107 -10.178 1.317 416 HD3 LYS 74 2HD LYS 74 14.222 -10.720 2.565 417 HE2 LYS 74 1HE LYS 74 14.527 -8.232 0.820 418 HE3 LYS 74 2HE LYS 74 13.893 -8.227 2.457 419 HZ1 LYS 74 3HZ LYS 74 16.248 -7.610 2.319 420 HZ2 LYS 74 1HZ LYS 74 16.069 -8.961 3.242 421 HZ3 LYS 74 2HZ LYS 74 16.640 -9.054 1.703 422 H SER 75 H SER 75 10.923 -12.671 -0.515 423 HA SER 75 HA SER 75 9.639 -10.189 -1.218 424 HB2 SER 75 1HB SER 75 8.627 -12.481 0.491 425 HB3 SER 75 2HB SER 75 7.640 -11.213 -0.261 426 HG SER 75 HG SER 75 7.699 -13.163 -1.529 427 H ARG 76 H ARG 76 9.173 -8.415 -0.061 428 HA ARG 76 HA ARG 76 10.394 -8.067 2.572 429 HB2 ARG 76 1HB ARG 76 9.431 -6.415 0.319 430 HB3 ARG 76 2HB ARG 76 9.102 -5.681 1.865 431 HG2 ARG 76 1HG ARG 76 11.864 -6.798 1.275 432 HG3 ARG 76 2HG ARG 76 11.369 -5.207 0.674 433 HD2 ARG 76 1HD ARG 76 10.971 -4.339 2.805 434 HD3 ARG 76 2HD ARG 76 11.059 -5.932 3.595 435 HE ARG 76 HE ARG 76 13.537 -5.213 2.255 436 HH11 ARG 76 1HH2 ARG 76 11.764 -4.569 5.267 437 HH12 ARG 76 2HH2 ARG 76 13.235 -4.216 6.128 438 HH21 ARG 76 1HH1 ARG 76 15.297 -4.645 3.345 439 HH22 ARG 76 2HH1 ARG 76 15.241 -4.251 5.052 440 H GLY 77 H GLY 77 7.379 -9.233 1.805 441 HA2 GLY 77 1HA GLY 77 5.561 -9.697 3.203 442 HA3 GLY 77 2HA GLY 77 6.248 -8.640 4.459 443 H TYR 78 H TYR 78 6.222 -6.847 1.637 444 HA TYR 78 HA TYR 78 3.406 -6.063 1.756 445 HB2 TYR 78 1HB TYR 78 3.823 -3.764 2.208 446 HB3 TYR 78 2HB TYR 78 4.668 -4.669 3.446 447 HD1 TYR 78 1HD TYR 78 5.005 -2.460 0.522 448 HD2 TYR 78 2HD TYR 78 7.101 -4.659 3.575 449 HE1 TYR 78 1HE TYR 78 7.074 -1.152 0.059 450 HE2 TYR 78 2HE TYR 78 9.160 -3.348 3.090 451 HH TYR 78 HH TYR 78 9.313 -0.868 0.524 452 H GLY 79 H GLY 79 2.737 -4.575 0.207 453 HA2 GLY 79 1HA GLY 79 4.316 -4.216 -2.286 454 HA3 GLY 79 2HA GLY 79 2.710 -4.957 -2.348 455 H PHE 80 H PHE 80 2.564 -3.048 -3.796 456 HA PHE 80 HA PHE 80 1.181 -0.867 -2.356 457 HB2 PHE 80 1HB PHE 80 3.416 -0.552 -4.365 458 HB3 PHE 80 2HB PHE 80 2.109 0.610 -4.349 459 HD1 PHE 80 1HD PHE 80 4.957 -0.750 -2.338 460 HD2 PHE 80 2HD PHE 80 1.817 2.213 -2.613 461 HE1 PHE 80 1HE PHE 80 5.978 0.544 -0.496 462 HE2 PHE 80 2HE PHE 80 2.867 3.495 -0.765 463 HZ PHE 80 HZ PHE 80 4.944 2.651 0.306 464 H VAL 81 H VAL 81 -0.548 -0.029 -3.371 465 HA VAL 81 HA VAL 81 -1.277 -0.963 -6.107 466 HB VAL 81 HB VAL 81 -3.286 -0.866 -3.812 467 HG11 VAL 81 1HG1 VAL 81 -4.279 -0.322 -6.007 468 HG12 VAL 81 2HG1 VAL 81 -3.556 -1.783 -6.714 469 HG13 VAL 81 3HG1 VAL 81 -4.819 -1.915 -5.478 470 HG21 VAL 81 3HG2 VAL 81 -3.469 -3.338 -4.096 471 HG22 VAL 81 1HG2 VAL 81 -2.074 -3.299 -5.195 472 HG23 VAL 81 2HG2 VAL 81 -1.892 -2.843 -3.485 473 H THR 82 H THR 82 -2.107 0.694 -7.341 474 HA THR 82 HA THR 82 -2.792 3.283 -5.982 475 HB THR 82 HB THR 82 -1.457 3.008 -8.701 476 HG1 THR 82 1HG THR 82 -0.015 2.586 -7.013 477 HG21 THR 82 3HG2 THR 82 -1.176 5.470 -8.470 478 HG22 THR 82 1HG2 THR 82 -2.885 5.022 -8.535 479 HG23 THR 82 2HG2 THR 82 -2.138 5.442 -6.977 480 H MET 83 H MET 83 -4.703 4.108 -6.518 481 HA MET 83 HA MET 83 -6.416 2.551 -8.414 482 HB2 MET 83 1HB MET 83 -7.284 4.462 -6.230 483 HB3 MET 83 2HB MET 83 -8.289 3.356 -7.150 484 HG2 MET 83 1HG MET 83 -6.139 2.584 -5.155 485 HG3 MET 83 2HG MET 83 -7.870 2.507 -4.896 486 HE1 MET 83 3HE MET 83 -9.058 -0.474 -7.026 487 HE2 MET 83 1HE MET 83 -9.469 0.766 -5.818 488 HE3 MET 83 2HE MET 83 -9.067 1.242 -7.485 489 H LYS 84 H LYS 84 -7.506 3.523 -10.075 490 HA LYS 84 HA LYS 84 -6.365 5.784 -11.346 491 HB2 LYS 84 1HB LYS 84 -9.062 4.432 -11.758 492 HB3 LYS 84 2HB LYS 84 -8.396 5.663 -12.818 493 HG2 LYS 84 1HG LYS 84 -6.325 4.057 -13.005 494 HG3 LYS 84 2HG LYS 84 -7.445 2.821 -12.417 495 HD2 LYS 84 1HD LYS 84 -8.978 3.341 -14.334 496 HD3 LYS 84 2HD LYS 84 -7.897 4.640 -14.827 497 HE2 LYS 84 1HE LYS 84 -7.408 2.895 -16.297 498 HE3 LYS 84 2HE LYS 84 -6.059 2.942 -15.160 499 HZ1 LYS 84 3HZ LYS 84 -6.877 0.681 -15.616 500 HZ2 LYS 84 1HZ LYS 84 -6.999 1.025 -14.031 501 HZ3 LYS 84 2HZ LYS 84 -8.340 1.042 -14.987 502 H ASP 85 H ASP 85 -8.845 5.792 -8.905 503 HA ASP 85 HA ASP 85 -8.869 8.721 -8.912 504 HB2 ASP 85 1HB ASP 85 -10.678 8.024 -10.533 505 HB3 ASP 85 2HB ASP 85 -11.491 7.203 -9.200 506 H ARG 86 H ARG 86 -9.675 9.635 -7.026 507 HA ARG 86 HA ARG 86 -9.102 8.311 -4.581 508 HB2 ARG 86 1HB ARG 86 -10.650 10.864 -5.192 509 HB3 ARG 86 2HB ARG 86 -10.203 10.349 -3.556 510 HG2 ARG 86 1HG ARG 86 -7.842 10.406 -4.098 511 HG3 ARG 86 2HG ARG 86 -8.163 10.772 -5.785 512 HD2 ARG 86 1HD ARG 86 -9.248 12.914 -5.082 513 HD3 ARG 86 2HD ARG 86 -8.644 12.612 -3.438 514 HE ARG 86 HE ARG 86 -6.379 12.289 -4.865 515 HH11 ARG 86 1HH1 ARG 86 -8.713 14.949 -5.230 516 HH12 ARG 86 2HH1 ARG 86 -7.468 16.003 -5.869 517 HH21 ARG 86 1HH2 ARG 86 -4.869 13.775 -5.605 518 HH22 ARG 86 2HH2 ARG 86 -5.450 15.350 -6.126 519 H ALA 87 H ALA 87 -12.173 8.566 -6.358 520 HA ALA 87 HA ALA 87 -13.871 7.605 -4.257 521 HB1 ALA 87 1HB ALA 87 -14.667 8.817 -6.260 522 HB2 ALA 87 2HB ALA 87 -14.184 7.447 -7.288 523 HB3 ALA 87 3HB ALA 87 -15.480 7.250 -6.092 524 H SER 88 H SER 88 -11.620 5.859 -6.316 525 HA SER 88 HA SER 88 -12.785 3.218 -5.540 526 HB2 SER 88 1HB SER 88 -10.378 3.941 -7.239 527 HB3 SER 88 2HB SER 88 -10.968 2.301 -6.915 528 HG SER 88 HG SER 88 -12.460 4.369 -8.213 529 H ALA 89 H ALA 89 -10.060 5.369 -4.700 530 HA ALA 89 HA ALA 89 -8.757 3.430 -2.973 531 HB1 ALA 89 1HB ALA 89 -7.553 5.274 -4.065 532 HB2 ALA 89 2HB ALA 89 -8.517 6.459 -3.154 533 HB3 ALA 89 3HB ALA 89 -7.398 5.375 -2.303 534 H GLU 90 H GLU 90 -11.188 6.023 -2.367 535 HA GLU 90 HA GLU 90 -11.183 5.725 0.470 536 HB2 GLU 90 1HB GLU 90 -13.170 6.939 0.509 537 HB3 GLU 90 2HB GLU 90 -12.189 7.608 -0.809 538 HG2 GLU 90 1HG GLU 90 -13.562 6.461 -2.443 539 HG3 GLU 90 2HG GLU 90 -14.516 5.703 -1.176 540 H ARG 91 H ARG 91 -12.820 3.944 -2.042 541 HA ARG 91 HA ARG 91 -14.366 2.193 -0.314 542 HB2 ARG 91 1HB ARG 91 -13.485 2.031 -3.207 543 HB3 ARG 91 2HB ARG 91 -14.390 0.727 -2.425 544 HG2 ARG 91 1HG ARG 91 -16.240 2.212 -1.913 545 HG3 ARG 91 2HG ARG 91 -15.360 3.617 -2.540 546 HD2 ARG 91 1HD ARG 91 -15.389 2.712 -4.800 547 HD3 ARG 91 2HD ARG 91 -16.038 1.176 -4.226 548 HE ARG 91 HE ARG 91 -18.154 2.044 -4.157 549 HH11 ARG 91 1HH1 ARG 91 -15.974 4.827 -4.494 550 HH12 ARG 91 2HH1 ARG 91 -17.306 5.929 -4.719 551 HH21 ARG 91 1HH2 ARG 91 -19.790 3.522 -4.477 552 HH22 ARG 91 2HH2 ARG 91 -19.422 5.200 -4.727 553 H ALA 92 H ALA 92 -11.051 1.986 -1.647 554 HA ALA 92 HA ALA 92 -10.563 -0.699 -0.734 555 HB1 ALA 92 1HB ALA 92 -9.324 0.412 -2.578 556 HB2 ALA 92 2HB ALA 92 -8.596 1.527 -1.399 557 HB3 ALA 92 3HB ALA 92 -8.246 -0.211 -1.316 558 H CYS 93 H CYS 93 -10.157 2.422 0.930 559 HA CYS 93 HA CYS 93 -8.704 1.214 3.134 560 HB2 CYS 93 1HB CYS 93 -8.625 3.371 4.066 561 HB3 CYS 93 2HB CYS 93 -8.520 3.611 2.318 562 HG CYS 93 HG CYS 93 -11.241 4.000 2.091 563 H LYS 94 H LYS 94 -11.936 0.840 2.416 564 HA LYS 94 HA LYS 94 -13.210 1.184 4.950 565 HB2 LYS 94 1HB LYS 94 -13.859 -0.566 2.541 566 HB3 LYS 94 2HB LYS 94 -14.939 -0.384 3.909 567 HG2 LYS 94 1HG LYS 94 -13.976 1.949 2.210 568 HG3 LYS 94 2HG LYS 94 -15.471 1.066 1.911 569 HD2 LYS 94 1HD LYS 94 -16.356 1.694 4.102 570 HD3 LYS 94 2HD LYS 94 -14.872 2.558 4.516 571 HE2 LYS 94 1HE LYS 94 -16.591 3.248 2.094 572 HE3 LYS 94 2HE LYS 94 -16.843 3.964 3.689 573 HZ1 LYS 94 3HZ LYS 94 -15.431 5.358 2.296 574 HZ2 LYS 94 1HZ LYS 94 -14.601 4.855 3.610 575 HZ3 LYS 94 2HZ LYS 94 -14.307 4.173 2.151 576 H ASP 95 H ASP 95 -11.234 -1.445 3.845 577 HA ASP 95 HA ASP 95 -11.570 -2.733 6.519 578 HB2 ASP 95 1HB ASP 95 -12.688 -4.082 4.804 579 HB3 ASP 95 2HB ASP 95 -11.162 -4.249 3.934 580 HA PRO 96 HA PRO 96 -7.199 -1.586 6.043 581 HB2 PRO 96 1HB PRO 96 -6.537 -1.253 8.656 582 HB3 PRO 96 2HB PRO 96 -7.570 -0.084 7.775 583 HG2 PRO 96 1HG PRO 96 -8.459 -2.357 9.584 584 HG3 PRO 96 2HG PRO 96 -8.984 -0.643 9.627 585 HD2 PRO 96 1HD PRO 96 -10.410 -2.598 8.338 586 HD3 PRO 96 2HD PRO 96 -10.342 -0.919 7.721 587 H ASN 97 H ASN 97 -8.561 -4.446 7.515 588 HA ASN 97 HA ASN 97 -5.937 -5.810 7.318 589 HB2 ASN 97 1HB ASN 97 -7.730 -6.109 9.745 590 HB3 ASN 97 2HB ASN 97 -6.231 -6.964 9.419 591 HD21 ASN 97 2HD2 ASN 97 -4.223 -5.469 9.082 592 HD22 ASN 97 1HD2 ASN 97 -4.134 -4.111 10.199 593 HA PRO 98 HA PRO 98 -9.495 -7.846 5.215 594 HB2 PRO 98 1HB PRO 98 -8.383 -8.194 2.738 595 HB3 PRO 98 2HB PRO 98 -9.085 -6.639 3.301 596 HG2 PRO 98 1HG PRO 98 -6.180 -7.518 3.297 597 HG3 PRO 98 2HG PRO 98 -6.872 -5.980 2.699 598 HD2 PRO 98 1HD PRO 98 -5.754 -6.211 5.169 599 HD3 PRO 98 2HD PRO 98 -7.189 -5.193 4.897 600 H ILE 99 H ILE 99 -6.386 -9.115 5.899 601 HA ILE 99 HA ILE 99 -5.529 -11.229 6.105 602 HB ILE 99 HB ILE 99 -8.297 -12.392 5.938 603 HG12 ILE 99 1HG1 ILE 99 -8.679 -10.572 7.429 604 HG13 ILE 99 2HG1 ILE 99 -8.576 -12.048 8.361 605 HG21 ILE 99 1HG2 ILE 99 -6.429 -13.980 6.140 606 HG22 ILE 99 2HG2 ILE 99 -5.798 -13.113 7.546 607 HG23 ILE 99 3HG2 ILE 99 -7.360 -13.953 7.635 608 HD11 ILE 99 3HD1 ILE 99 -7.464 -10.249 9.546 609 HD12 ILE 99 1HD1 ILE 99 -6.234 -11.420 9.046 610 HD13 ILE 99 2HD1 ILE 99 -6.444 -9.887 8.153 611 H ILE 100 H ILE 100 -4.892 -10.458 3.810 612 HA ILE 100 HA ILE 100 -6.046 -11.798 1.513 613 HB ILE 100 HB ILE 100 -3.510 -10.184 1.886 614 HG12 ILE 100 1HG1 ILE 100 -5.995 -9.602 0.204 615 HG13 ILE 100 2HG1 ILE 100 -5.916 -9.173 1.899 616 HG21 ILE 100 1HG2 ILE 100 -3.019 -11.781 0.078 617 HG22 ILE 100 2HG2 ILE 100 -4.565 -11.404 -0.712 618 HG23 ILE 100 3HG2 ILE 100 -3.278 -10.187 -0.610 619 HD11 ILE 100 3HD1 ILE 100 -5.366 -7.234 0.565 620 HD12 ILE 100 1HD1 ILE 100 -3.924 -7.742 1.463 621 HD13 ILE 100 2HD1 ILE 100 -4.073 -8.104 -0.273 622 H ASP 101 H ASP 101 -5.860 -13.758 0.926 623 HA ASP 101 HA ASP 101 -5.296 -15.876 0.666 624 HB2 ASP 101 1HB ASP 101 -3.314 -14.495 -0.449 625 HB3 ASP 101 2HB ASP 101 -2.346 -15.332 0.758 626 H GLY 102 H GLY 102 -5.480 -14.868 3.481 627 HA2 GLY 102 1HA GLY 102 -5.855 -16.239 5.353 628 HA3 GLY 102 2HA GLY 102 -4.686 -17.432 4.752 629 H ARG 103 H ARG 103 -3.808 -14.013 5.010 630 HA ARG 103 HA ARG 103 -2.544 -14.360 7.666 631 HB2 ARG 103 1HB ARG 103 -0.842 -15.172 6.095 632 HB3 ARG 103 2HB ARG 103 -1.034 -13.740 5.101 633 HG2 ARG 103 1HG ARG 103 1.019 -13.603 6.359 634 HG3 ARG 103 2HG ARG 103 -0.075 -12.331 6.894 635 HD2 ARG 103 1HD ARG 103 -0.631 -13.591 8.919 636 HD3 ARG 103 2HD ARG 103 0.297 -14.976 8.360 637 HE ARG 103 HE ARG 103 1.353 -12.370 9.363 638 HH11 ARG 103 1HH1 ARG 103 2.188 -15.609 8.160 639 HH12 ARG 103 2HH1 ARG 103 3.794 -15.519 8.816 640 HH21 ARG 103 1HH2 ARG 103 3.445 -12.308 10.090 641 HH22 ARG 103 2HH2 ARG 103 4.486 -13.676 9.912 642 H LYS 104 H LYS 104 -2.526 -12.492 8.829 643 HA LYS 104 HA LYS 104 -4.290 -10.451 8.015 644 HB2 LYS 104 1HB LYS 104 -3.959 -11.160 10.336 645 HB3 LYS 104 2HB LYS 104 -2.340 -10.440 10.333 646 HG2 LYS 104 1HG LYS 104 -3.312 -8.191 9.978 647 HG3 LYS 104 2HG LYS 104 -4.924 -8.882 9.785 648 HD2 LYS 104 1HD LYS 104 -4.673 -7.879 11.980 649 HD3 LYS 104 2HD LYS 104 -4.925 -9.628 12.122 650 HE2 LYS 104 1HE LYS 104 -2.508 -9.977 12.457 651 HE3 LYS 104 2HE LYS 104 -2.197 -8.253 12.214 652 HZ1 LYS 104 3HZ LYS 104 -2.270 -8.818 14.569 653 HZ2 LYS 104 1HZ LYS 104 -3.504 -7.806 14.222 654 HZ3 LYS 104 2HZ LYS 104 -3.791 -9.403 14.444 655 H ALA 105 H ALA 105 -3.925 -9.216 6.348 656 HA ALA 105 HA ALA 105 -1.405 -7.817 5.865 657 HB1 ALA 105 1HB ALA 105 -2.751 -8.731 4.011 658 HB2 ALA 105 2HB ALA 105 -4.112 -7.684 4.468 659 HB3 ALA 105 3HB ALA 105 -2.598 -6.973 3.878 660 H ASN 106 H ASN 106 -1.608 -5.439 5.378 661 HA ASN 106 HA ASN 106 -3.331 -3.899 7.248 662 HB2 ASN 106 1HB ASN 106 -1.278 -4.296 8.470 663 HB3 ASN 106 2HB ASN 106 -0.316 -3.810 7.072 664 HD21 ASN 106 2HD2 ASN 106 -0.093 -1.588 6.571 665 HD22 ASN 106 1HD2 ASN 106 -0.753 -0.310 7.571 666 H VAL 107 H VAL 107 -4.438 -2.672 5.880 667 HA VAL 107 HA VAL 107 -3.203 -1.626 3.352 668 HB VAL 107 HB VAL 107 -6.116 -2.154 4.077 669 HG11 VAL 107 1HG1 VAL 107 -6.004 -0.227 2.539 670 HG12 VAL 107 2HG1 VAL 107 -4.900 -1.124 1.474 671 HG13 VAL 107 3HG1 VAL 107 -6.584 -1.648 1.670 672 HG21 VAL 107 3HG2 VAL 107 -6.011 -3.887 2.339 673 HG22 VAL 107 1HG2 VAL 107 -4.298 -3.536 2.070 674 HG23 VAL 107 2HG2 VAL 107 -4.834 -4.229 3.617 675 H ASN 108 H ASN 108 -2.788 0.481 3.282 676 HA ASN 108 HA ASN 108 -4.760 2.416 4.056 677 HB2 ASN 108 1HB ASN 108 -3.411 3.729 5.638 678 HB3 ASN 108 2HB ASN 108 -3.899 2.185 6.285 679 HD21 ASN 108 2HD2 ASN 108 -1.030 3.927 4.879 680 HD22 ASN 108 1HD2 ASN 108 0.097 2.994 5.849 681 H LEU 109 H LEU 109 -4.198 4.624 3.497 682 HA LEU 109 HA LEU 109 -2.883 5.002 0.999 683 HB2 LEU 109 1HB LEU 109 -3.487 6.942 3.273 684 HB3 LEU 109 2HB LEU 109 -2.960 7.425 1.668 685 HG LEU 109 HG LEU 109 -5.547 5.910 2.234 686 HD11 LEU 109 1HD1 LEU 109 -5.599 8.166 3.201 687 HD12 LEU 109 2HD1 LEU 109 -5.108 8.866 1.646 688 HD13 LEU 109 3HD1 LEU 109 -6.677 8.050 1.801 689 HD21 LEU 109 3HD2 LEU 109 -6.136 6.608 -0.103 690 HD22 LEU 109 1HD2 LEU 109 -4.471 7.192 -0.318 691 HD23 LEU 109 2HD2 LEU 109 -4.788 5.469 -0.040 692 H ALA 110 H ALA 110 -0.892 5.750 0.446 693 HA ALA 110 HA ALA 110 1.347 4.795 1.689 694 HB1 ALA 110 1HB ALA 110 1.236 5.526 -0.616 695 HB2 ALA 110 2HB ALA 110 1.186 7.233 -0.130 696 HB3 ALA 110 3HB ALA 110 2.646 6.256 0.179 697 H TYR 111 H TYR 111 1.608 8.394 1.690 698 HA TYR 111 HA TYR 111 3.266 9.028 3.502 699 HB2 TYR 111 1HB TYR 111 2.289 11.107 3.600 700 HB3 TYR 111 2HB TYR 111 1.784 10.424 2.079 701 HD1 TYR 111 2HD TYR 111 -0.646 9.212 2.117 702 HD2 TYR 111 1HD TYR 111 0.715 12.151 4.971 703 HE1 TYR 111 2HE TYR 111 -2.993 9.698 2.742 704 HE2 TYR 111 1HE TYR 111 -1.645 12.697 5.529 705 HH TYR 111 HH TYR 111 -4.413 11.016 3.983 706 H LEU 112 H LEU 112 1.183 6.912 5.223 707 HA LEU 112 HA LEU 112 0.671 8.715 7.487 708 HB2 LEU 112 1HB LEU 112 -0.076 5.775 7.273 709 HB3 LEU 112 2HB LEU 112 -0.734 7.009 8.344 710 HG LEU 112 HG LEU 112 -1.138 6.650 5.378 711 HD11 LEU 112 1HD1 LEU 112 -2.574 5.365 6.955 712 HD12 LEU 112 2HD1 LEU 112 -3.166 6.906 7.616 713 HD13 LEU 112 3HD1 LEU 112 -3.477 6.495 5.912 714 HD21 LEU 112 3HD2 LEU 112 -2.585 8.664 5.416 715 HD22 LEU 112 1HD2 LEU 112 -1.848 9.099 6.984 716 HD23 LEU 112 2HD2 LEU 112 -0.850 8.957 5.510 717 H GLY 113 H GLY 113 1.801 5.325 7.621 718 HA2 GLY 113 1HA GLY 113 3.692 5.925 9.814 719 HA3 GLY 113 2HA GLY 113 3.298 4.332 9.113 720 H ALA 114 H ALA 114 3.960 6.707 6.775 721 HA ALA 114 HA ALA 114 6.118 5.277 5.665 722 HB1 ALA 114 1HB ALA 114 4.507 6.613 4.355 723 HB2 ALA 114 2HB ALA 114 5.123 8.109 5.107 724 HB3 ALA 114 3HB ALA 114 6.165 7.148 4.038 725 H LYS 115 H LYS 115 8.287 5.748 5.388 726 HA LYS 115 HA LYS 115 9.493 7.089 7.728 727 HB2 LYS 115 1HB LYS 115 10.667 5.030 5.819 728 HB3 LYS 115 2HB LYS 115 11.368 5.560 7.341 729 HG2 LYS 115 1HG LYS 115 8.860 3.890 6.947 730 HG3 LYS 115 2HG LYS 115 10.399 3.394 7.644 731 HD2 LYS 115 1HD LYS 115 10.024 4.902 9.583 732 HD3 LYS 115 2HD LYS 115 8.462 5.396 8.887 733 HE2 LYS 115 1HE LYS 115 7.762 2.982 8.867 734 HE3 LYS 115 2HE LYS 115 9.255 2.573 9.718 735 HZ1 LYS 115 3HZ LYS 115 7.424 2.855 11.263 736 HZ2 LYS 115 1HZ LYS 115 8.510 4.047 11.532 737 HZ3 LYS 115 2HZ LYS 115 7.116 4.368 10.725 738 HA PRO 116 HA PRO 116 11.816 10.213 5.503 739 HB2 PRO 116 1HB PRO 116 14.209 9.059 6.948 740 HB3 PRO 116 2HB PRO 116 13.728 10.772 6.756 741 HG2 PRO 116 1HG PRO 116 13.242 9.464 9.079 742 HG3 PRO 116 2HG PRO 116 11.993 10.543 8.377 743 HD2 PRO 116 1HD PRO 116 12.144 7.518 8.243 744 HD3 PRO 116 2HD PRO 116 10.744 8.587 8.540 745 H ARG 117 H ARG 117 12.855 10.328 3.576 746 HA ARG 117 HA ARG 117 14.825 8.405 2.670 747 HB2 ARG 117 1HB ARG 117 12.548 7.281 2.212 748 HB3 ARG 117 2HB ARG 117 12.218 8.592 1.095 749 HG2 ARG 117 1HG ARG 117 13.010 6.777 -0.220 750 HG3 ARG 117 2HG ARG 117 14.328 7.943 -0.169 751 HD2 ARG 117 1HD ARG 117 15.302 5.797 0.104 752 HD3 ARG 117 2HD ARG 117 15.380 6.549 1.689 753 HE ARG 117 HE ARG 117 13.340 5.220 2.308 754 HH11 ARG 117 1HH1 ARG 117 15.263 3.938 -0.396 755 HH12 ARG 117 2HH1 ARG 117 14.507 2.370 -0.241 756 HH21 ARG 117 1HH2 ARG 117 12.507 3.226 2.411 757 HH22 ARG 117 2HH2 ARG 117 13.150 1.902 1.463 758 H THR 118 H THR 118 16.295 9.629 1.690 759 HA THR 118 HA THR 118 15.548 12.293 0.546 760 HB THR 118 HB THR 118 17.850 12.945 1.286 761 HG1 THR 118 1HG THR 118 18.886 11.508 2.707 762 HG21 THR 118 3HG2 THR 118 17.312 13.138 3.651 763 HG22 THR 118 1HG2 THR 118 15.841 13.397 2.701 764 HG23 THR 118 2HG2 THR 118 16.098 11.849 3.537 765 H ASN 119 H ASN 119 16.806 9.333 -0.539 766 HA ASN 119 HA ASN 119 18.808 10.358 -2.344 767 HB2 ASN 119 1HB ASN 119 17.443 7.646 -2.171 768 HB3 ASN 119 2HB ASN 119 18.864 7.996 -3.154 769 HD21 ASN 119 2HD2 ASN 119 18.296 6.275 -0.582 770 HD22 ASN 119 1HD2 ASN 119 19.662 6.705 0.431 771 H VAL 120 H VAL 120 16.386 11.726 -2.783 772 HA VAL 120 HA VAL 120 16.007 11.710 -5.596 773 HB VAL 120 HB VAL 120 14.741 9.638 -5.242 774 HG11 VAL 120 1HG1 VAL 120 13.985 9.972 -2.896 775 HG12 VAL 120 2HG1 VAL 120 12.824 11.194 -3.461 776 HG13 VAL 120 3HG1 VAL 120 12.674 9.509 -3.987 777 HG21 VAL 120 3HG2 VAL 120 12.721 10.204 -6.415 778 HG22 VAL 120 1HG2 VAL 120 12.830 11.900 -5.915 779 HG23 VAL 120 2HG2 VAL 120 14.043 11.215 -7.022 780 H GLN 121 H GLN 121 15.061 13.602 -6.234 781 HA GLN 121 HA GLN 121 13.365 15.256 -4.566 782 HB2 GLN 121 1HB GLN 121 15.614 15.662 -3.533 783 HB3 GLN 121 2HB GLN 121 16.207 16.228 -5.099 784 HG2 GLN 121 1HG GLN 121 14.567 18.088 -5.055 785 HG3 GLN 121 2HG GLN 121 13.863 17.443 -3.570 786 HE21 GLN 121 2HE2 GLN 121 14.324 19.192 -2.158 787 HE22 GLN 121 1HE2 GLN 121 15.971 19.705 -1.814 788 H5' G 7 H5' G 7 4.400 -11.571 12.079 789 H5'' G 7 H5" G 7 5.144 -9.975 12.186 790 H4' G 7 H4' G 7 6.796 -11.780 12.569 791 H3' G 7 H3' G 7 7.083 -9.843 10.334 792 H2' G 7 H2' G 7 8.161 -11.244 8.909 793 HO2' G 7 2HO G 7 9.872 -11.154 10.918 794 H1' G 7 H1' G 7 8.200 -13.632 10.638 795 H8 G 7 8H G 7 8.200 -15.518 8.983 796 H1 G 7 1H G 7 4.313 -12.421 4.870 797 H21 G 7 1H2 G 7 3.965 -10.416 5.570 798 H22 G 7 2H2 G 7 4.628 -9.851 7.111 799 HO5' G 7 H5T G 7 5.139 -11.078 9.618 800 H5' U 8 H5' U 8 8.125 -7.652 10.231 801 H5'' U 8 H5" U 8 9.103 -6.899 11.497 802 H4' U 8 H4' U 8 8.062 -5.153 10.291 803 H3' U 8 H3' U 8 7.676 -5.410 13.054 804 H2' U 8 H2' U 8 5.495 -6.174 12.894 805 HO2' U 8 2HO U 8 5.486 -3.362 13.015 806 H1' U 8 H1' U 8 4.996 -4.293 10.558 807 H3 U 8 3H U 8 0.626 -5.579 11.174 808 H5 U 8 5H U 8 2.700 -9.194 11.498 809 H6 U 8 6H U 8 4.802 -7.983 11.091 810 H5' G 9 H5' G 9 9.385 -1.451 9.671 811 H5'' G 9 H5" G 9 7.894 -2.396 9.747 812 H4' G 9 H4' G 9 10.404 -3.273 8.254 813 H3' G 9 H3' G 9 7.962 -1.741 7.361 814 H2' G 9 H2' G 9 7.969 -2.940 5.308 815 HO2' G 9 2HO G 9 10.435 -2.799 5.341 816 H1' G 9 H1' G 9 8.626 -5.396 6.372 817 H8 G 9 8H G 9 6.484 -6.429 5.578 818 H1 G 9 1H G 9 2.738 -2.016 8.408 819 H21 G 9 1H2 G 9 4.060 -0.503 9.450 820 H22 G 9 2H2 G 9 5.804 -0.668 9.339 821 H5' U 10 H5' U 10 7.944 -0.880 4.184 822 H5'' U 10 H5" U 10 9.575 -0.213 4.115 823 H4' U 10 H4' U 10 8.342 0.680 2.299 824 H3' U 10 H3' U 10 9.586 2.401 4.104 825 H2' U 10 H2' U 10 7.584 3.017 5.172 826 HO2' U 10 2HO U 10 8.030 4.829 3.034 827 H1' U 10 H1' U 10 6.158 3.038 2.508 828 H3 U 10 3H U 10 2.209 4.326 4.450 829 H5 U 10 5H U 10 3.932 1.883 7.373 830 H6 U 10 6H U 10 5.873 1.540 5.923 831 H5' G 11 H5' G 11 10.470 3.638 -1.548 832 H5'' G 11 H5" G 11 8.987 3.699 -0.598 833 H4' G 11 H4' G 11 10.330 1.459 0.437 834 H3' G 11 H3' G 11 11.572 1.817 -2.010 835 H2' G 11 H2' G 11 9.867 1.576 -3.481 836 HO2' G 11 2HO G 11 10.707 -0.911 -2.685 837 H1' G 11 H1' G 11 7.964 -0.155 -1.977 838 H8 G 11 8H G 11 7.069 3.266 -1.402 839 H1 G 11 1H G 11 5.855 1.791 -7.552 840 H21 G 11 1H2 G 11 6.943 -0.127 -8.053 841 H22 G 11 2H2 G 11 7.853 -0.955 -6.798 842 H5' C 12 H5' C 12 12.209 -2.804 -1.247 843 H5'' C 12 H5" C 12 12.335 -2.592 0.506 844 H4' C 12 H4' C 12 13.324 -4.721 -0.118 845 H3' C 12 H3' C 12 14.618 -2.896 1.465 846 HO3' C 12 H3T C 12 15.807 -5.397 0.734 847 H2' C 12 H2' C 12 15.992 -1.910 -0.075 848 HO2' C 12 2HO C 12 18.072 -2.909 -0.179 849 H1' C 12 H1' C 12 16.613 -4.276 -1.764 850 H41 C 12 1H4 C 12 17.341 1.488 -4.529 851 H42 C 12 2H4 C 12 15.686 1.413 -5.129 852 H5 C 12 5H C 12 14.244 -0.484 -4.647 853 H6 C 12 6H C 12 14.053 -2.551 -3.386 Start of MODEL 15 1 H1 GLY 19 1H GLY 19 -21.211 25.206 5.531 2 H2 GLY 19 2H GLY 19 -19.864 25.992 5.035 3 H3 GLY 19 3H GLY 19 -21.083 25.710 3.976 4 HA2 GLY 19 1HA GLY 19 -20.732 23.333 4.103 5 HA3 GLY 19 2HA GLY 19 -19.282 24.187 3.545 6 H SER 20 H SER 20 -19.381 21.565 4.816 7 HA SER 20 HA SER 20 -18.470 21.864 7.587 8 HB2 SER 20 1HB SER 20 -18.291 19.386 7.439 9 HB3 SER 20 2HB SER 20 -19.887 20.014 6.995 10 HG SER 20 HG SER 20 -19.125 18.412 5.504 11 H THR 21 H THR 21 -16.868 22.031 4.579 12 HA THR 21 HA THR 21 -14.224 22.193 5.722 13 HB THR 21 HB THR 21 -14.564 19.714 5.636 14 HG1 THR 21 1HG THR 21 -12.539 19.399 4.732 15 HG21 THR 21 3HG2 THR 21 -14.468 18.543 3.505 16 HG22 THR 21 1HG2 THR 21 -15.908 19.570 3.536 17 HG23 THR 21 2HG2 THR 21 -14.479 20.072 2.604 18 H ASN 22 H ASN 22 -12.584 22.470 3.909 19 HA ASN 22 HA ASN 22 -13.476 24.588 2.157 20 HB2 ASN 22 1HB ASN 22 -11.232 24.531 3.190 21 HB3 ASN 22 2HB ASN 22 -10.850 23.055 2.302 22 HD21 ASN 22 2HD2 ASN 22 -9.089 23.955 1.120 23 HD22 ASN 22 1HD2 ASN 22 -9.336 25.197 -0.096 24 H ALA 23 H ALA 23 -14.127 24.521 0.081 25 HA ALA 23 HA ALA 23 -13.580 22.354 -1.782 26 HB1 ALA 23 1HB ALA 23 -15.365 21.314 -0.405 27 HB2 ALA 23 2HB ALA 23 -16.408 22.727 -0.676 28 HB3 ALA 23 3HB ALA 23 -15.961 21.671 -2.033 29 H GLU 24 H GLU 24 -14.580 22.729 -3.888 30 HA GLU 24 HA GLU 24 -15.535 25.449 -4.518 31 HB2 GLU 24 1HB GLU 24 -13.005 24.196 -5.690 32 HB3 GLU 24 2HB GLU 24 -13.837 25.587 -6.383 33 HG2 GLU 24 1HG GLU 24 -13.485 26.836 -4.237 34 HG3 GLU 24 2HG GLU 24 -12.519 25.479 -3.644 35 HA PRO 25 HA PRO 25 -17.937 22.971 -7.312 36 HB2 PRO 25 1HB PRO 25 -18.991 24.799 -9.026 37 HB3 PRO 25 2HB PRO 25 -19.306 24.852 -7.272 38 HG2 PRO 25 1HG PRO 25 -17.175 26.397 -8.797 39 HG3 PRO 25 2HG PRO 25 -18.429 27.052 -7.691 40 HD2 PRO 25 1HD PRO 25 -15.915 26.488 -6.822 41 HD3 PRO 25 2HD PRO 25 -17.342 26.183 -5.788 42 H VAL 26 H VAL 26 -15.288 22.540 -7.805 43 HA VAL 26 HA VAL 26 -15.038 21.703 -10.511 44 HB VAL 26 HB VAL 26 -14.705 24.042 -11.085 45 HG11 VAL 26 1HG1 VAL 26 -13.943 24.954 -8.901 46 HG12 VAL 26 2HG1 VAL 26 -12.365 24.168 -9.138 47 HG13 VAL 26 3HG1 VAL 26 -12.906 25.435 -10.249 48 HG21 VAL 26 3HG2 VAL 26 -12.588 23.917 -12.229 49 HG22 VAL 26 1HG2 VAL 26 -12.019 22.625 -11.157 50 HG23 VAL 26 2HG2 VAL 26 -13.373 22.329 -12.271 51 H VAL 27 H VAL 27 -13.578 20.092 -10.556 52 HA VAL 27 HA VAL 27 -11.408 19.870 -8.548 53 HB VAL 27 HB VAL 27 -13.537 17.704 -8.884 54 HG11 VAL 27 1HG1 VAL 27 -11.319 16.711 -8.499 55 HG12 VAL 27 2HG1 VAL 27 -11.044 17.798 -7.120 56 HG13 VAL 27 3HG1 VAL 27 -12.302 16.546 -7.047 57 HG21 VAL 27 3HG2 VAL 27 -14.032 18.060 -6.474 58 HG22 VAL 27 1HG2 VAL 27 -12.953 19.470 -6.467 59 HG23 VAL 27 2HG2 VAL 27 -14.441 19.470 -7.446 60 H GLY 28 H GLY 28 -9.639 19.030 -9.441 61 HA2 GLY 28 1HA GLY 28 -9.153 16.868 -10.952 62 HA3 GLY 28 2HA GLY 28 -9.643 17.980 -12.217 63 H SER 29 H SER 29 -7.047 16.762 -10.595 64 HA SER 29 HA SER 29 -5.075 18.452 -11.793 65 HB2 SER 29 1HB SER 29 -5.845 19.917 -9.837 66 HB3 SER 29 2HB SER 29 -5.190 18.673 -8.763 67 HG SER 29 HG SER 29 -3.693 20.402 -9.258 68 H ARG 30 H ARG 30 -2.826 17.849 -10.636 69 HA ARG 30 HA ARG 30 -2.558 14.919 -10.710 70 HB2 ARG 30 1HB ARG 30 -0.595 17.213 -10.310 71 HB3 ARG 30 2HB ARG 30 -0.146 15.532 -10.052 72 HG2 ARG 30 1HG ARG 30 0.563 16.111 -12.230 73 HG3 ARG 30 2HG ARG 30 -0.774 14.971 -12.384 74 HD2 ARG 30 1HD ARG 30 -2.298 16.799 -12.997 75 HD3 ARG 30 2HD ARG 30 -1.013 17.993 -12.702 76 HE ARG 30 HE ARG 30 -0.127 16.042 -14.599 77 HH11 ARG 30 1HH1 ARG 30 -2.316 18.822 -14.456 78 HH12 ARG 30 2HH1 ARG 30 -2.173 19.135 -16.160 79 HH21 ARG 30 1HH2 ARG 30 0.015 16.506 -16.786 80 HH22 ARG 30 2HH2 ARG 30 -0.869 17.843 -17.457 81 H ASP 31 H ASP 31 -2.539 13.591 -9.012 82 HA ASP 31 HA ASP 31 -2.033 14.421 -6.245 83 HB2 ASP 31 1HB ASP 31 -4.378 15.167 -6.646 84 HB3 ASP 31 2HB ASP 31 -4.784 13.523 -7.157 85 H THR 32 H THR 32 -1.705 12.770 -4.890 86 HA THR 32 HA THR 32 -2.110 9.939 -5.668 87 HB THR 32 HB THR 32 0.178 9.356 -4.944 88 HG1 THR 32 1HG THR 32 1.678 11.076 -4.775 89 HG21 THR 32 3HG2 THR 32 1.325 10.050 -6.973 90 HG22 THR 32 1HG2 THR 32 -0.375 9.724 -7.369 91 HG23 THR 32 2HG2 THR 32 0.190 11.397 -7.217 92 H MET 33 H MET 33 -2.284 12.363 -3.237 93 HA MET 33 HA MET 33 -1.585 10.746 -0.956 94 HB2 MET 33 1HB MET 33 -3.284 13.266 -1.151 95 HB3 MET 33 2HB MET 33 -2.736 12.522 0.353 96 HG2 MET 33 1HG MET 33 -0.977 13.717 -1.808 97 HG3 MET 33 2HG MET 33 -1.285 14.357 -0.197 98 HE1 MET 33 3HE MET 33 2.342 13.584 0.483 99 HE2 MET 33 1HE MET 33 1.512 14.509 -0.790 100 HE3 MET 33 2HE MET 33 0.939 14.592 0.896 101 H PHE 34 H PHE 34 -4.615 11.224 -2.686 102 HA PHE 34 HA PHE 34 -6.064 9.537 -0.692 103 HB2 PHE 34 1HB PHE 34 -7.141 11.477 -2.743 104 HB3 PHE 34 2HB PHE 34 -8.065 10.689 -1.464 105 HD1 PHE 34 1HD PHE 34 -6.729 11.099 1.007 106 HD2 PHE 34 2HD PHE 34 -6.852 13.725 -2.405 107 HE1 PHE 34 1HE PHE 34 -6.233 13.036 2.480 108 HE2 PHE 34 2HE PHE 34 -6.352 15.666 -0.931 109 HZ PHE 34 HZ PHE 34 -6.038 15.320 1.515 110 H THR 35 H THR 35 -4.465 8.895 -3.391 111 HA THR 35 HA THR 35 -6.424 6.870 -4.412 112 HB THR 35 HB THR 35 -5.372 7.247 -6.666 113 HG1 THR 35 1HG THR 35 -4.319 9.259 -6.920 114 HG21 THR 35 3HG2 THR 35 -6.720 9.179 -7.231 115 HG22 THR 35 1HG2 THR 35 -7.588 8.200 -6.038 116 HG23 THR 35 2HG2 THR 35 -6.779 9.701 -5.532 117 H LYS 36 H LYS 36 -3.076 7.566 -3.534 118 HA LYS 36 HA LYS 36 -2.255 4.886 -4.439 119 HB2 LYS 36 1HB LYS 36 -0.938 7.047 -4.817 120 HB3 LYS 36 2HB LYS 36 -0.509 6.973 -3.095 121 HG2 LYS 36 1HG LYS 36 0.493 4.731 -3.440 122 HG3 LYS 36 2HG LYS 36 -0.075 4.735 -5.116 123 HD2 LYS 36 1HD LYS 36 1.354 6.873 -5.441 124 HD3 LYS 36 2HD LYS 36 2.049 6.507 -3.854 125 HE2 LYS 36 1HE LYS 36 3.534 5.511 -5.416 126 HE3 LYS 36 2HE LYS 36 2.594 4.180 -4.753 127 HZ1 LYS 36 3HZ LYS 36 2.746 3.995 -7.142 128 HZ2 LYS 36 1HZ LYS 36 1.178 4.311 -6.783 129 HZ3 LYS 36 2HZ LYS 36 2.139 5.495 -7.380 130 H ILE 37 H ILE 37 -1.879 3.208 -3.188 131 HA ILE 37 HA ILE 37 -2.396 3.366 -0.242 132 HB ILE 37 HB ILE 37 -3.314 1.171 -2.134 133 HG12 ILE 37 1HG1 ILE 37 -4.990 3.534 -1.181 134 HG13 ILE 37 2HG1 ILE 37 -4.467 3.248 -2.842 135 HG21 ILE 37 1HG2 ILE 37 -3.061 0.678 0.329 136 HG22 ILE 37 2HG2 ILE 37 -4.285 1.925 0.650 137 HG23 ILE 37 3HG2 ILE 37 -4.694 0.466 -0.279 138 HD11 ILE 37 3HD1 ILE 37 -6.742 2.584 -2.672 139 HD12 ILE 37 1HD1 ILE 37 -5.760 1.124 -2.892 140 HD13 ILE 37 2HD1 ILE 37 -6.419 1.537 -1.286 141 H PHE 38 H PHE 38 -0.876 2.501 0.954 142 HA PHE 38 HA PHE 38 1.185 0.644 -0.124 143 HB2 PHE 38 1HB PHE 38 2.163 2.389 1.164 144 HB3 PHE 38 2HB PHE 38 0.886 2.347 2.366 145 HD1 PHE 38 1HD PHE 38 0.806 0.713 4.120 146 HD2 PHE 38 2HD PHE 38 4.073 0.704 1.281 147 HE1 PHE 38 1HE PHE 38 2.054 -0.887 5.558 148 HE2 PHE 38 2HE PHE 38 5.346 -0.760 2.808 149 HZ PHE 38 HZ PHE 38 4.340 -1.652 4.859 150 H VAL 39 H VAL 39 1.158 -1.492 0.479 151 HA VAL 39 HA VAL 39 -0.932 -2.444 2.396 152 HB VAL 39 HB VAL 39 -0.521 -3.637 -0.376 153 HG11 VAL 39 1HG1 VAL 39 -1.095 -5.394 1.141 154 HG12 VAL 39 2HG1 VAL 39 -2.241 -4.388 2.025 155 HG13 VAL 39 3HG1 VAL 39 -2.629 -4.943 0.386 156 HG21 VAL 39 3HG2 VAL 39 -2.801 -2.905 -0.868 157 HG22 VAL 39 1HG2 VAL 39 -2.880 -2.037 0.686 158 HG23 VAL 39 2HG2 VAL 39 -1.748 -1.527 -0.588 159 H GLY 40 H GLY 40 0.527 -3.000 3.934 160 HA2 GLY 40 1HA GLY 40 2.582 -5.076 3.246 161 HA3 GLY 40 2HA GLY 40 2.669 -4.072 4.659 162 H GLY 41 H GLY 41 3.023 -6.353 5.438 163 HA2 GLY 41 1HA GLY 41 2.304 -8.113 6.757 164 HA3 GLY 41 2HA GLY 41 0.649 -7.450 6.720 165 H LEU 42 H LEU 42 2.117 -8.030 3.658 166 HA LEU 42 HA LEU 42 0.188 -10.094 2.944 167 HB2 LEU 42 1HB LEU 42 2.613 -8.951 1.478 168 HB3 LEU 42 2HB LEU 42 1.437 -10.044 0.763 169 HG LEU 42 HG LEU 42 0.793 -7.244 1.802 170 HD11 LEU 42 1HD1 LEU 42 2.258 -7.221 -0.193 171 HD12 LEU 42 2HD1 LEU 42 1.103 -8.257 -1.057 172 HD13 LEU 42 3HD1 LEU 42 0.634 -6.616 -0.559 173 HD21 LEU 42 3HD2 LEU 42 -1.355 -7.605 0.536 174 HD22 LEU 42 1HD2 LEU 42 -0.890 -9.298 0.291 175 HD23 LEU 42 2HD2 LEU 42 -1.184 -8.671 1.929 176 HA PRO 43 HA PRO 43 2.978 -13.519 3.908 177 HB2 PRO 43 1HB PRO 43 1.845 -15.527 2.459 178 HB3 PRO 43 2HB PRO 43 1.144 -14.910 3.981 179 HG2 PRO 43 1HG PRO 43 0.338 -14.250 1.153 180 HG3 PRO 43 2HG PRO 43 -0.709 -14.563 2.569 181 HD2 PRO 43 1HD PRO 43 -0.063 -12.027 1.655 182 HD3 PRO 43 2HD PRO 43 -0.453 -12.373 3.349 183 H TYR 44 H TYR 44 4.826 -14.356 2.894 184 HA TYR 44 HA TYR 44 5.810 -12.837 0.746 185 HB2 TYR 44 1HB TYR 44 6.843 -15.448 1.895 186 HB3 TYR 44 2HB TYR 44 7.773 -14.386 0.858 187 HD1 TYR 44 1HD TYR 44 6.694 -11.723 2.364 188 HD2 TYR 44 2HD TYR 44 8.578 -15.414 3.568 189 HE1 TYR 44 1HE TYR 44 7.688 -10.583 4.331 190 HE2 TYR 44 2HE TYR 44 9.586 -14.264 5.522 191 HH TYR 44 HH TYR 44 9.813 -12.275 6.664 192 H HIS 45 H HIS 45 3.807 -15.531 0.359 193 HA HIS 45 HA HIS 45 4.789 -16.188 -2.359 194 HB2 HIS 45 1HB HIS 45 3.100 -17.968 -2.284 195 HB3 HIS 45 2HB HIS 45 4.253 -18.039 -0.960 196 HD2 HIS 45 2HD HIS 45 2.953 -19.089 0.991 197 HE1 HIS 45 1HE HIS 45 -0.591 -16.743 0.881 198 HE2 HIS 45 2HE HIS 45 0.644 -18.576 2.142 199 H THR 46 H THR 46 2.877 -13.756 -1.177 200 HA THR 46 HA THR 46 0.806 -13.557 -3.216 201 HB THR 46 HB THR 46 2.095 -11.307 -1.607 202 HG1 THR 46 1HG THR 46 1.303 -12.772 -0.185 203 HG21 THR 46 3HG2 THR 46 -0.072 -10.192 -1.866 204 HG22 THR 46 1HG2 THR 46 0.586 -10.542 -3.467 205 HG23 THR 46 2HG2 THR 46 -0.706 -11.560 -2.790 206 H SER 47 H SER 47 0.918 -12.637 -5.243 207 HA SER 47 HA SER 47 3.547 -11.486 -6.124 208 HB2 SER 47 1HB SER 47 3.132 -12.280 -8.311 209 HB3 SER 47 2HB SER 47 2.889 -13.647 -7.219 210 HG SER 47 HG SER 47 0.644 -13.368 -7.432 211 H ASP 48 H ASP 48 3.343 -9.937 -7.978 212 HA ASP 48 HA ASP 48 1.803 -7.640 -7.400 213 HB2 ASP 48 1HB ASP 48 2.815 -8.491 -10.141 214 HB3 ASP 48 2HB ASP 48 2.563 -6.853 -9.550 215 H LYS 49 H LYS 49 1.114 -10.425 -9.477 216 HA LYS 49 HA LYS 49 -1.389 -9.479 -10.601 217 HB2 LYS 49 1HB LYS 49 -0.022 -11.116 -11.730 218 HB3 LYS 49 2HB LYS 49 -0.041 -12.196 -10.336 219 HG2 LYS 49 1HG LYS 49 -2.406 -12.678 -10.645 220 HG3 LYS 49 2HG LYS 49 -2.517 -11.478 -11.956 221 HD2 LYS 49 1HD LYS 49 -1.004 -12.776 -13.356 222 HD3 LYS 49 2HD LYS 49 -0.613 -13.859 -12.021 223 HE2 LYS 49 1HE LYS 49 -2.092 -14.969 -13.588 224 HE3 LYS 49 2HE LYS 49 -2.870 -14.789 -12.013 225 HZ1 LYS 49 3HZ LYS 49 -4.310 -14.241 -13.939 226 HZ2 LYS 49 1HZ LYS 49 -4.207 -13.038 -12.850 227 HZ3 LYS 49 2HZ LYS 49 -3.375 -12.940 -14.277 228 H THR 50 H THR 50 -0.563 -11.533 -7.763 229 HA THR 50 HA THR 50 -3.234 -12.189 -6.982 230 HB THR 50 HB THR 50 -0.925 -11.703 -5.065 231 HG1 THR 50 1HG THR 50 -1.459 -14.081 -6.510 232 HG21 THR 50 3HG2 THR 50 -1.935 -13.611 -3.830 233 HG22 THR 50 1HG2 THR 50 -3.051 -12.247 -3.963 234 HG23 THR 50 2HG2 THR 50 -3.261 -13.665 -5.012 235 H LEU 51 H LEU 51 -1.130 -9.452 -5.960 236 HA LEU 51 HA LEU 51 -3.195 -8.360 -4.275 237 HB2 LEU 51 1HB LEU 51 -0.707 -8.047 -3.949 238 HB3 LEU 51 2HB LEU 51 -0.682 -7.046 -5.396 239 HG LEU 51 HG LEU 51 -2.317 -5.465 -4.233 240 HD11 LEU 51 1HD1 LEU 51 -3.237 -6.988 -2.538 241 HD12 LEU 51 2HD1 LEU 51 -1.625 -7.183 -1.812 242 HD13 LEU 51 3HD1 LEU 51 -2.450 -5.609 -1.770 243 HD21 LEU 51 3HD2 LEU 51 -0.576 -4.448 -2.792 244 HD22 LEU 51 1HD2 LEU 51 0.398 -5.925 -2.944 245 HD23 LEU 51 2HD2 LEU 51 0.034 -4.934 -4.379 246 H HIS 52 H HIS 52 -2.302 -7.689 -7.663 247 HA HIS 52 HA HIS 52 -4.070 -5.451 -8.014 248 HB2 HIS 52 1HB HIS 52 -2.369 -6.116 -9.686 249 HB3 HIS 52 2HB HIS 52 -3.206 -7.637 -9.955 250 HD2 HIS 52 2HD HIS 52 -3.586 -3.844 -10.677 251 HE1 HIS 52 1HE HIS 52 -6.464 -5.876 -13.062 252 HE2 HIS 52 2HE HIS 52 -5.363 -3.629 -12.597 253 H GLU 53 H GLU 53 -4.591 -8.983 -8.174 254 HA GLU 53 HA GLU 53 -7.306 -8.807 -9.141 255 HB2 GLU 53 1HB GLU 53 -5.593 -11.004 -7.966 256 HB3 GLU 53 2HB GLU 53 -7.321 -11.265 -8.306 257 HG2 GLU 53 1HG GLU 53 -6.998 -10.606 -10.649 258 HG3 GLU 53 2HG GLU 53 -5.290 -10.289 -10.354 259 H TYR 54 H TYR 54 -5.944 -9.115 -5.816 260 HA TYR 54 HA TYR 54 -8.476 -9.455 -4.552 261 HB2 TYR 54 1HB TYR 54 -6.194 -9.889 -3.556 262 HB3 TYR 54 2HB TYR 54 -6.016 -8.149 -3.333 263 HD1 TYR 54 1HD TYR 54 -7.892 -11.186 -2.344 264 HD2 TYR 54 2HD TYR 54 -7.359 -6.969 -1.607 265 HE1 TYR 54 1HE TYR 54 -9.349 -11.358 -0.340 266 HE2 TYR 54 2HE TYR 54 -8.829 -7.134 0.392 267 HH TYR 54 HH TYR 54 -10.382 -10.227 1.368 268 H PHE 55 H PHE 55 -6.868 -6.493 -5.649 269 HA PHE 55 HA PHE 55 -8.724 -4.788 -4.160 270 HB2 PHE 55 1HB PHE 55 -6.238 -4.332 -5.780 271 HB3 PHE 55 2HB PHE 55 -7.338 -2.992 -5.517 272 HD1 PHE 55 2HD PHE 55 -5.682 -5.736 -3.491 273 HD2 PHE 55 1HD PHE 55 -7.038 -1.643 -3.643 274 HE1 PHE 55 2HE PHE 55 -4.856 -5.374 -1.188 275 HE2 PHE 55 1HE PHE 55 -6.186 -1.284 -1.343 276 HZ PHE 55 HZ PHE 55 -5.135 -3.157 -0.097 277 H GLU 56 H GLU 56 -9.074 -6.329 -7.169 278 HA GLU 56 HA GLU 56 -10.398 -4.228 -8.607 279 HB2 GLU 56 1HB GLU 56 -10.751 -7.241 -8.824 280 HB3 GLU 56 2HB GLU 56 -11.399 -6.039 -9.953 281 HG2 GLU 56 1HG GLU 56 -9.019 -5.242 -10.298 282 HG3 GLU 56 2HG GLU 56 -8.503 -6.712 -9.459 283 H GLN 57 H GLN 57 -11.475 -6.051 -5.902 284 HA GLN 57 HA GLN 57 -14.333 -5.767 -6.320 285 HB2 GLN 57 1HB GLN 57 -14.576 -6.637 -4.126 286 HB3 GLN 57 2HB GLN 57 -13.227 -7.501 -4.862 287 HG2 GLN 57 1HG GLN 57 -11.660 -5.896 -3.628 288 HG3 GLN 57 2HG GLN 57 -13.078 -5.250 -2.810 289 HE21 GLN 57 2HE2 GLN 57 -10.633 -7.601 -2.577 290 HE22 GLN 57 1HE2 GLN 57 -11.387 -8.557 -1.305 291 H PHE 58 H PHE 58 -11.921 -3.476 -5.436 292 HA PHE 58 HA PHE 58 -13.827 -1.734 -3.974 293 HB2 PHE 58 1HB PHE 58 -10.860 -1.375 -4.468 294 HB3 PHE 58 2HB PHE 58 -11.859 -0.482 -3.339 295 HD1 PHE 58 1HD PHE 58 -13.322 -2.388 -1.756 296 HD2 PHE 58 2HD PHE 58 -9.329 -2.700 -3.340 297 HE1 PHE 58 1HE PHE 58 -12.722 -3.967 0.060 298 HE2 PHE 58 2HE PHE 58 -8.731 -4.291 -1.529 299 HZ PHE 58 HZ PHE 58 -10.431 -4.929 0.173 300 H GLY 59 H GLY 59 -12.602 -2.092 -7.176 301 HA2 GLY 59 1HA GLY 59 -13.952 -0.534 -8.725 302 HA3 GLY 59 2HA GLY 59 -13.159 0.776 -7.857 303 H ASP 60 H ASP 60 -12.029 1.611 -9.529 304 HA ASP 60 HA ASP 60 -10.637 -0.105 -11.468 305 HB2 ASP 60 1HB ASP 60 -11.194 2.875 -11.263 306 HB3 ASP 60 2HB ASP 60 -9.974 2.225 -12.335 307 H ILE 61 H ILE 61 -8.570 -0.601 -11.522 308 HA ILE 61 HA ILE 61 -6.655 0.644 -9.589 309 HB ILE 61 HB ILE 61 -6.410 -1.995 -11.046 310 HG12 ILE 61 1HG1 ILE 61 -7.234 -1.549 -8.136 311 HG13 ILE 61 2HG1 ILE 61 -8.364 -1.975 -9.424 312 HG21 ILE 61 1HG2 ILE 61 -4.255 -1.021 -10.376 313 HG22 ILE 61 2HG2 ILE 61 -4.868 -0.702 -8.738 314 HG23 ILE 61 3HG2 ILE 61 -4.615 -2.360 -9.300 315 HD11 ILE 61 3HD1 ILE 61 -7.872 -3.996 -8.379 316 HD12 ILE 61 1HD1 ILE 61 -6.968 -4.036 -9.883 317 HD13 ILE 61 2HD1 ILE 61 -6.129 -3.696 -8.345 318 H GLU 62 H GLU 62 -5.066 1.857 -10.313 319 HA GLU 62 HA GLU 62 -4.683 2.408 -13.171 320 HB2 GLU 62 1HB GLU 62 -4.824 4.062 -11.168 321 HB3 GLU 62 2HB GLU 62 -3.173 3.594 -10.808 322 HG2 GLU 62 1HG GLU 62 -4.181 4.792 -13.421 323 HG3 GLU 62 2HG GLU 62 -3.432 5.693 -12.105 324 H GLU 63 H GLU 63 -2.811 1.148 -10.379 325 HA GLU 63 HA GLU 63 -1.310 -0.742 -11.944 326 HB2 GLU 63 1HB GLU 63 -0.030 1.360 -12.440 327 HB3 GLU 63 2HB GLU 63 0.239 1.589 -10.709 328 HG2 GLU 63 1HG GLU 63 1.573 -0.454 -10.604 329 HG3 GLU 63 2HG GLU 63 1.132 -0.881 -12.261 330 H ALA 64 H ALA 64 -0.227 -2.265 -10.539 331 HA ALA 64 HA ALA 64 -0.261 -1.828 -7.640 332 HB1 ALA 64 1HB ALA 64 -2.513 -2.730 -8.075 333 HB2 ALA 64 2HB ALA 64 -1.807 -4.087 -8.969 334 HB3 ALA 64 3HB ALA 64 -1.525 -3.938 -7.224 335 H VAL 65 H VAL 65 1.216 -3.088 -6.540 336 HA VAL 65 HA VAL 65 2.889 -5.064 -7.970 337 HB VAL 65 HB VAL 65 4.991 -3.887 -7.409 338 HG11 VAL 65 1HG1 VAL 65 4.050 -3.662 -9.695 339 HG12 VAL 65 2HG1 VAL 65 3.275 -2.136 -9.204 340 HG13 VAL 65 3HG1 VAL 65 5.040 -2.281 -9.199 341 HG21 VAL 65 3HG2 VAL 65 5.059 -1.538 -6.814 342 HG22 VAL 65 1HG2 VAL 65 3.288 -1.448 -6.751 343 HG23 VAL 65 2HG2 VAL 65 4.192 -2.424 -5.570 344 H VAL 66 H VAL 66 4.422 -6.151 -6.641 345 HA VAL 66 HA VAL 66 4.119 -5.848 -3.668 346 HB VAL 66 HB VAL 66 4.338 -8.454 -5.231 347 HG11 VAL 66 1HG1 VAL 66 5.799 -8.630 -3.255 348 HG12 VAL 66 2HG1 VAL 66 4.509 -7.986 -2.214 349 HG13 VAL 66 3HG1 VAL 66 4.330 -9.568 -2.993 350 HG21 VAL 66 3HG2 VAL 66 2.238 -9.004 -4.025 351 HG22 VAL 66 1HG2 VAL 66 2.243 -7.401 -3.269 352 HG23 VAL 66 2HG2 VAL 66 2.026 -7.562 -5.025 353 H ILE 67 H ILE 67 5.995 -5.730 -2.565 354 HA ILE 67 HA ILE 67 8.360 -5.030 -4.157 355 HB ILE 67 HB ILE 67 7.758 -4.852 -1.186 356 HG12 ILE 67 1HG1 ILE 67 6.368 -3.309 -2.486 357 HG13 ILE 67 2HG1 ILE 67 7.566 -2.454 -1.550 358 HG21 ILE 67 1HG2 ILE 67 10.135 -5.018 -1.352 359 HG22 ILE 67 2HG2 ILE 67 10.194 -3.904 -2.736 360 HG23 ILE 67 3HG2 ILE 67 9.723 -3.315 -1.128 361 HD11 ILE 67 3HD1 ILE 67 7.374 -1.371 -3.663 362 HD12 ILE 67 1HD1 ILE 67 8.963 -2.166 -3.612 363 HD13 ILE 67 2HD1 ILE 67 7.633 -2.889 -4.550 364 H THR 68 H THR 68 9.583 -6.550 -4.875 365 HA THR 68 HA THR 68 10.654 -8.645 -3.055 366 HB THR 68 HB THR 68 11.405 -9.750 -5.197 367 HG1 THR 68 1HG THR 68 10.263 -9.110 -7.073 368 HG21 THR 68 3HG2 THR 68 9.200 -10.738 -5.687 369 HG22 THR 68 1HG2 THR 68 9.432 -10.550 -3.943 370 HG23 THR 68 2HG2 THR 68 8.391 -9.410 -4.823 371 H ASP 69 H ASP 69 12.773 -8.785 -2.753 372 HA ASP 69 HA ASP 69 14.206 -6.347 -2.709 373 HB2 ASP 69 1HB ASP 69 14.418 -8.252 -1.140 374 HB3 ASP 69 2HB ASP 69 15.232 -9.182 -2.409 375 H ARG 70 H ARG 70 15.567 -5.361 -3.808 376 HA ARG 70 HA ARG 70 16.059 -5.634 -6.476 377 HB2 ARG 70 1HB ARG 70 17.467 -3.790 -6.271 378 HB3 ARG 70 2HB ARG 70 16.203 -3.628 -5.068 379 HG2 ARG 70 1HG ARG 70 19.093 -4.392 -4.651 380 HG3 ARG 70 2HG ARG 70 18.264 -2.917 -4.144 381 HD2 ARG 70 1HD ARG 70 16.945 -4.326 -2.511 382 HD3 ARG 70 2HD ARG 70 18.004 -5.671 -2.959 383 HE ARG 70 HE ARG 70 19.220 -3.146 -1.996 384 HH11 ARG 70 1HH1 ARG 70 18.445 -6.520 -1.179 385 HH12 ARG 70 2HH1 ARG 70 19.664 -6.571 0.062 386 HH21 ARG 70 1HH2 ARG 70 20.665 -3.266 -0.320 387 HH22 ARG 70 2HH2 ARG 70 20.869 -4.743 0.571 388 H ASN 71 H ASN 71 17.825 -7.422 -4.061 389 HA ASN 71 HA ASN 71 19.883 -8.257 -6.086 390 HB2 ASN 71 1HB ASN 71 20.177 -7.790 -3.094 391 HB3 ASN 71 2HB ASN 71 21.396 -8.572 -4.092 392 HD21 ASN 71 2HD2 ASN 71 21.566 -6.038 -2.520 393 HD22 ASN 71 1HD2 ASN 71 22.063 -4.836 -3.698 394 H THR 72 H THR 72 17.802 -9.329 -3.399 395 HA THR 72 HA THR 72 18.531 -12.189 -3.932 396 HB THR 72 HB THR 72 17.335 -12.593 -1.716 397 HG1 THR 72 1HG THR 72 17.622 -9.786 -1.487 398 HG21 THR 72 3HG2 THR 72 19.213 -11.788 -0.355 399 HG22 THR 72 1HG2 THR 72 19.814 -12.478 -1.872 400 HG23 THR 72 2HG2 THR 72 19.751 -10.714 -1.665 401 H GLN 73 H GLN 73 15.945 -10.016 -4.509 402 HA GLN 73 HA GLN 73 13.865 -10.204 -5.331 403 HB2 GLN 73 1HB GLN 73 14.990 -12.827 -6.378 404 HB3 GLN 73 2HB GLN 73 13.416 -12.205 -6.845 405 HG2 GLN 73 1HG GLN 73 15.952 -10.555 -7.206 406 HG3 GLN 73 2HG GLN 73 15.366 -11.697 -8.409 407 HE21 GLN 73 2HE2 GLN 73 14.636 -8.555 -6.830 408 HE22 GLN 73 1HE2 GLN 73 13.387 -8.131 -7.991 409 H LYS 74 H LYS 74 14.513 -11.641 -2.571 410 HA LYS 74 HA LYS 74 12.138 -13.273 -2.277 411 HB2 LYS 74 1HB LYS 74 12.960 -13.839 -0.285 412 HB3 LYS 74 2HB LYS 74 14.463 -13.222 -0.953 413 HG2 LYS 74 1HG LYS 74 12.619 -11.683 0.911 414 HG3 LYS 74 2HG LYS 74 14.051 -12.611 1.387 415 HD2 LYS 74 1HD LYS 74 15.552 -11.138 0.463 416 HD3 LYS 74 2HD LYS 74 14.364 -10.431 -0.630 417 HE2 LYS 74 1HE LYS 74 14.868 -8.788 1.064 418 HE3 LYS 74 2HE LYS 74 13.218 -9.365 1.308 419 HZ1 LYS 74 3HZ LYS 74 14.465 -9.261 3.401 420 HZ2 LYS 74 1HZ LYS 74 14.056 -10.811 3.086 421 HZ3 LYS 74 2HZ LYS 74 15.591 -10.302 2.838 422 H SER 75 H SER 75 10.142 -12.727 -1.311 423 HA SER 75 HA SER 75 9.256 -9.967 -1.619 424 HB2 SER 75 1HB SER 75 7.689 -11.790 -1.944 425 HB3 SER 75 2HB SER 75 7.925 -12.331 -0.268 426 HG SER 75 HG SER 75 6.045 -10.854 -0.801 427 H ARG 76 H ARG 76 9.055 -8.373 -0.191 428 HA ARG 76 HA ARG 76 10.236 -8.706 2.518 429 HB2 ARG 76 1HB ARG 76 9.605 -6.284 0.823 430 HB3 ARG 76 2HB ARG 76 10.137 -6.209 2.517 431 HG2 ARG 76 1HG ARG 76 12.135 -7.573 1.965 432 HG3 ARG 76 2HG ARG 76 11.694 -7.539 0.243 433 HD2 ARG 76 1HD ARG 76 11.947 -5.177 0.154 434 HD3 ARG 76 2HD ARG 76 12.026 -5.044 1.910 435 HE ARG 76 HE ARG 76 14.186 -6.071 0.111 436 HH11 ARG 76 1HH1 ARG 76 13.293 -4.910 3.334 437 HH12 ARG 76 2HH1 ARG 76 14.946 -4.880 3.869 438 HH21 ARG 76 1HH2 ARG 76 16.246 -5.994 0.836 439 HH22 ARG 76 2HH2 ARG 76 16.609 -5.466 2.468 440 H GLY 77 H GLY 77 7.224 -9.218 1.387 441 HA2 GLY 77 1HA GLY 77 5.308 -9.652 2.623 442 HA3 GLY 77 2HA GLY 77 6.026 -8.841 4.040 443 H TYR 78 H TYR 78 6.107 -6.867 1.248 444 HA TYR 78 HA TYR 78 3.433 -5.777 1.601 445 HB2 TYR 78 1HB TYR 78 4.103 -3.586 2.192 446 HB3 TYR 78 2HB TYR 78 4.951 -4.645 3.290 447 HD1 TYR 78 2HD TYR 78 7.455 -5.138 2.834 448 HD2 TYR 78 1HD TYR 78 5.231 -2.033 0.853 449 HE1 TYR 78 2HE TYR 78 9.574 -3.931 2.359 450 HE2 TYR 78 1HE TYR 78 7.353 -0.791 0.431 451 HH TYR 78 HH TYR 78 10.519 -1.998 1.599 452 H GLY 79 H GLY 79 2.913 -4.020 0.199 453 HA2 GLY 79 1HA GLY 79 4.238 -3.814 -2.434 454 HA3 GLY 79 2HA GLY 79 2.664 -4.594 -2.365 455 H PHE 80 H PHE 80 2.466 -2.672 -3.877 456 HA PHE 80 HA PHE 80 1.077 -0.486 -2.441 457 HB2 PHE 80 1HB PHE 80 3.267 -0.170 -4.511 458 HB3 PHE 80 2HB PHE 80 1.997 1.023 -4.369 459 HD1 PHE 80 1HD PHE 80 4.848 -0.551 -2.512 460 HD2 PHE 80 2HD PHE 80 1.925 2.632 -2.629 461 HE1 PHE 80 1HE PHE 80 6.059 0.656 -0.714 462 HE2 PHE 80 2HE PHE 80 3.165 3.831 -0.848 463 HZ PHE 80 HZ PHE 80 5.241 2.848 0.100 464 H VAL 81 H VAL 81 -0.660 0.340 -3.467 465 HA VAL 81 HA VAL 81 -1.470 -0.695 -6.153 466 HB VAL 81 HB VAL 81 -3.347 -0.576 -3.748 467 HG11 VAL 81 1HG1 VAL 81 -4.475 -0.110 -5.888 468 HG12 VAL 81 2HG1 VAL 81 -3.772 -1.572 -6.602 469 HG13 VAL 81 3HG1 VAL 81 -4.951 -1.698 -5.287 470 HG21 VAL 81 3HG2 VAL 81 -3.481 -3.058 -3.943 471 HG22 VAL 81 1HG2 VAL 81 -2.150 -3.020 -5.118 472 HG23 VAL 81 2HG2 VAL 81 -1.886 -2.503 -3.437 473 H THR 82 H THR 82 -2.290 0.921 -7.423 474 HA THR 82 HA THR 82 -2.975 3.558 -6.148 475 HB THR 82 HB THR 82 -1.821 3.205 -8.938 476 HG1 THR 82 1HG THR 82 -0.301 2.547 -7.422 477 HG21 THR 82 3HG2 THR 82 -1.324 5.613 -8.665 478 HG22 THR 82 1HG2 THR 82 -3.061 5.310 -8.511 479 HG23 THR 82 2HG2 THR 82 -2.079 5.601 -7.057 480 H MET 83 H MET 83 -5.006 4.162 -6.457 481 HA MET 83 HA MET 83 -6.711 2.608 -8.343 482 HB2 MET 83 1HB MET 83 -7.596 4.492 -6.135 483 HB3 MET 83 2HB MET 83 -8.569 3.335 -7.025 484 HG2 MET 83 1HG MET 83 -6.331 2.689 -5.079 485 HG3 MET 83 2HG MET 83 -8.049 2.543 -4.767 486 HE1 MET 83 3HE MET 83 -9.174 -0.534 -6.778 487 HE2 MET 83 1HE MET 83 -9.591 0.709 -5.573 488 HE3 MET 83 2HE MET 83 -9.286 1.171 -7.264 489 H LYS 84 H LYS 84 -8.042 3.590 -9.887 490 HA LYS 84 HA LYS 84 -6.860 5.883 -11.188 491 HB2 LYS 84 1HB LYS 84 -9.466 4.404 -11.657 492 HB3 LYS 84 2HB LYS 84 -8.860 5.660 -12.721 493 HG2 LYS 84 1HG LYS 84 -6.732 4.238 -13.015 494 HG3 LYS 84 2HG LYS 84 -7.621 2.951 -12.181 495 HD2 LYS 84 1HD LYS 84 -9.499 3.555 -14.008 496 HD3 LYS 84 2HD LYS 84 -8.125 4.200 -14.899 497 HE2 LYS 84 1HE LYS 84 -7.052 2.064 -15.014 498 HE3 LYS 84 2HE LYS 84 -8.034 1.407 -13.702 499 HZ1 LYS 84 3HZ LYS 84 -8.781 0.599 -15.862 500 HZ2 LYS 84 1HZ LYS 84 -9.966 1.451 -15.118 501 HZ3 LYS 84 2HZ LYS 84 -9.121 2.119 -16.363 502 H ASP 85 H ASP 85 -9.387 5.717 -8.818 503 HA ASP 85 HA ASP 85 -9.626 8.660 -8.830 504 HB2 ASP 85 1HB ASP 85 -11.473 7.782 -10.293 505 HB3 ASP 85 2HB ASP 85 -12.078 6.861 -8.917 506 H ARG 86 H ARG 86 -10.345 9.527 -6.898 507 HA ARG 86 HA ARG 86 -9.475 8.350 -4.491 508 HB2 ARG 86 1HB ARG 86 -11.529 10.553 -4.959 509 HB3 ARG 86 2HB ARG 86 -10.857 10.127 -3.380 510 HG2 ARG 86 1HG ARG 86 -8.578 10.661 -4.193 511 HG3 ARG 86 2HG ARG 86 -9.233 11.167 -5.749 512 HD2 ARG 86 1HD ARG 86 -10.658 12.849 -4.590 513 HD3 ARG 86 2HD ARG 86 -9.888 12.415 -3.052 514 HE ARG 86 HE ARG 86 -7.721 13.021 -4.600 515 HH11 ARG 86 1HH1 ARG 86 -10.681 14.899 -4.008 516 HH12 ARG 86 2HH1 ARG 86 -9.840 16.408 -4.207 517 HH21 ARG 86 1HH2 ARG 86 -6.748 14.895 -4.774 518 HH22 ARG 86 2HH2 ARG 86 -7.607 16.427 -4.662 519 H ALA 87 H ALA 87 -12.758 8.238 -5.967 520 HA ALA 87 HA ALA 87 -13.998 7.147 -3.597 521 HB1 ALA 87 1HB ALA 87 -15.183 8.437 -5.365 522 HB2 ALA 87 2HB ALA 87 -14.920 7.103 -6.511 523 HB3 ALA 87 3HB ALA 87 -15.939 6.862 -5.078 524 H SER 88 H SER 88 -12.046 5.590 -6.022 525 HA SER 88 HA SER 88 -13.024 2.869 -5.308 526 HB2 SER 88 1HB SER 88 -10.707 3.779 -7.040 527 HB3 SER 88 2HB SER 88 -11.214 2.101 -6.774 528 HG SER 88 HG SER 88 -12.840 4.147 -7.937 529 H ALA 89 H ALA 89 -10.372 5.105 -4.432 530 HA ALA 89 HA ALA 89 -9.021 3.164 -2.719 531 HB1 ALA 89 1HB ALA 89 -7.826 5.071 -3.728 532 HB2 ALA 89 2HB ALA 89 -8.873 6.202 -2.835 533 HB3 ALA 89 3HB ALA 89 -7.759 5.140 -1.956 534 H GLU 90 H GLU 90 -11.495 5.710 -2.205 535 HA GLU 90 HA GLU 90 -11.838 5.457 0.579 536 HB2 GLU 90 1HB GLU 90 -13.865 5.976 -1.636 537 HB3 GLU 90 2HB GLU 90 -14.279 6.012 0.078 538 HG2 GLU 90 1HG GLU 90 -12.577 7.760 0.466 539 HG3 GLU 90 2HG GLU 90 -12.207 7.813 -1.239 540 H ARG 91 H ARG 91 -13.163 3.386 -2.031 541 HA ARG 91 HA ARG 91 -14.635 1.627 -0.265 542 HB2 ARG 91 1HB ARG 91 -13.683 1.454 -3.130 543 HB3 ARG 91 2HB ARG 91 -14.529 0.109 -2.351 544 HG2 ARG 91 1HG ARG 91 -16.493 1.429 -1.953 545 HG3 ARG 91 2HG ARG 91 -15.685 2.924 -2.448 546 HD2 ARG 91 1HD ARG 91 -15.498 2.131 -4.756 547 HD3 ARG 91 2HD ARG 91 -16.118 0.543 -4.295 548 HE ARG 91 HE ARG 91 -18.261 1.331 -4.379 549 HH11 ARG 91 1HH1 ARG 91 -16.186 4.212 -4.235 550 HH12 ARG 91 2HH1 ARG 91 -17.538 5.278 -4.508 551 HH21 ARG 91 1HH2 ARG 91 -19.922 2.774 -4.736 552 HH22 ARG 91 2HH2 ARG 91 -19.608 4.480 -4.798 553 H ALA 92 H ALA 92 -11.273 1.610 -1.447 554 HA ALA 92 HA ALA 92 -10.666 -1.049 -0.468 555 HB1 ALA 92 1HB ALA 92 -9.443 0.073 -2.319 556 HB2 ALA 92 2HB ALA 92 -8.818 1.270 -1.163 557 HB3 ALA 92 3HB ALA 92 -8.368 -0.438 -1.006 558 H CYS 93 H CYS 93 -10.405 2.188 1.023 559 HA CYS 93 HA CYS 93 -8.920 1.184 3.295 560 HB2 CYS 93 1HB CYS 93 -8.884 3.413 4.050 561 HB3 CYS 93 2HB CYS 93 -8.808 3.511 2.286 562 HG CYS 93 HG CYS 93 -11.566 3.773 2.099 563 H LYS 94 H LYS 94 -12.169 0.710 2.663 564 HA LYS 94 HA LYS 94 -13.418 1.177 5.179 565 HB2 LYS 94 1HB LYS 94 -14.020 -0.920 3.043 566 HB3 LYS 94 2HB LYS 94 -15.095 -0.479 4.357 567 HG2 LYS 94 1HG LYS 94 -14.226 1.288 2.048 568 HG3 LYS 94 2HG LYS 94 -15.813 0.570 2.294 569 HD2 LYS 94 1HD LYS 94 -16.079 1.963 4.372 570 HD3 LYS 94 2HD LYS 94 -14.525 2.749 3.997 571 HE2 LYS 94 1HE LYS 94 -15.420 3.458 1.791 572 HE3 LYS 94 2HE LYS 94 -16.979 2.720 2.186 573 HZ1 LYS 94 3HZ LYS 94 -16.985 5.096 2.656 574 HZ2 LYS 94 1HZ LYS 94 -17.158 4.274 4.056 575 HZ3 LYS 94 2HZ LYS 94 -15.719 4.956 3.680 576 H ASP 95 H ASP 95 -11.362 -1.460 4.226 577 HA ASP 95 HA ASP 95 -11.515 -2.552 7.000 578 HB2 ASP 95 1HB ASP 95 -12.781 -4.022 5.522 579 HB3 ASP 95 2HB ASP 95 -11.379 -4.210 4.469 580 HA PRO 96 HA PRO 96 -7.164 -1.550 6.143 581 HB2 PRO 96 1HB PRO 96 -6.266 -1.234 8.688 582 HB3 PRO 96 2HB PRO 96 -7.321 -0.030 7.884 583 HG2 PRO 96 1HG PRO 96 -8.145 -2.255 9.782 584 HG3 PRO 96 2HG PRO 96 -8.596 -0.520 9.853 585 HD2 PRO 96 1HD PRO 96 -10.206 -2.412 8.714 586 HD3 PRO 96 2HD PRO 96 -10.111 -0.747 8.062 587 H ASN 97 H ASN 97 -8.493 -4.367 7.713 588 HA ASN 97 HA ASN 97 -5.897 -5.779 7.410 589 HB2 ASN 97 1HB ASN 97 -7.702 -6.063 9.828 590 HB3 ASN 97 2HB ASN 97 -6.243 -6.979 9.493 591 HD21 ASN 97 2HD2 ASN 97 -4.199 -5.457 9.045 592 HD22 ASN 97 1HD2 ASN 97 -4.038 -4.173 10.238 593 HA PRO 98 HA PRO 98 -9.457 -7.821 5.304 594 HB2 PRO 98 1HB PRO 98 -8.432 -8.018 2.780 595 HB3 PRO 98 2HB PRO 98 -9.141 -6.508 3.439 596 HG2 PRO 98 1HG PRO 98 -6.222 -7.322 3.282 597 HG3 PRO 98 2HG PRO 98 -6.970 -5.772 2.790 598 HD2 PRO 98 1HD PRO 98 -5.743 -6.124 5.207 599 HD3 PRO 98 2HD PRO 98 -7.177 -5.087 5.023 600 H ILE 99 H ILE 99 -6.280 -8.991 5.844 601 HA ILE 99 HA ILE 99 -5.347 -11.070 5.997 602 HB ILE 99 HB ILE 99 -8.054 -12.352 5.853 603 HG12 ILE 99 1HG1 ILE 99 -8.505 -10.572 7.365 604 HG13 ILE 99 2HG1 ILE 99 -8.335 -12.055 8.277 605 HG21 ILE 99 1HG2 ILE 99 -6.097 -13.842 5.999 606 HG22 ILE 99 2HG2 ILE 99 -5.517 -12.980 7.434 607 HG23 ILE 99 3HG2 ILE 99 -7.033 -13.903 7.493 608 HD11 ILE 99 3HD1 ILE 99 -7.308 -10.211 9.479 609 HD12 ILE 99 1HD1 ILE 99 -6.031 -11.330 8.979 610 HD13 ILE 99 2HD1 ILE 99 -6.297 -9.800 8.093 611 H ILE 100 H ILE 100 -4.687 -10.311 3.767 612 HA ILE 100 HA ILE 100 -5.838 -11.623 1.426 613 HB ILE 100 HB ILE 100 -3.355 -9.923 1.818 614 HG12 ILE 100 1HG1 ILE 100 -5.915 -9.372 0.254 615 HG13 ILE 100 2HG1 ILE 100 -5.751 -8.959 1.946 616 HG21 ILE 100 1HG2 ILE 100 -2.867 -11.448 -0.058 617 HG22 ILE 100 2HG2 ILE 100 -4.443 -11.085 -0.795 618 HG23 ILE 100 3HG2 ILE 100 -3.184 -9.840 -0.686 619 HD11 ILE 100 3HD1 ILE 100 -5.324 -6.988 0.639 620 HD12 ILE 100 1HD1 ILE 100 -3.805 -7.485 1.405 621 HD13 ILE 100 2HD1 ILE 100 -4.087 -7.810 -0.323 622 H ASP 101 H ASP 101 -5.547 -13.590 0.832 623 HA ASP 101 HA ASP 101 -4.833 -15.671 0.568 624 HB2 ASP 101 1HB ASP 101 -3.115 -14.128 -0.690 625 HB3 ASP 101 2HB ASP 101 -1.963 -14.763 0.469 626 H GLY 102 H GLY 102 -5.104 -14.846 3.331 627 HA2 GLY 102 1HA GLY 102 -5.253 -16.269 5.171 628 HA3 GLY 102 2HA GLY 102 -3.982 -17.310 4.495 629 H ARG 103 H ARG 103 -3.486 -13.827 4.986 630 HA ARG 103 HA ARG 103 -2.263 -14.162 7.635 631 HB2 ARG 103 1HB ARG 103 -0.411 -14.856 6.189 632 HB3 ARG 103 2HB ARG 103 -0.619 -13.431 5.190 633 HG2 ARG 103 1HG ARG 103 1.327 -13.163 6.570 634 HG3 ARG 103 2HG ARG 103 0.118 -11.980 7.057 635 HD2 ARG 103 1HD ARG 103 -0.478 -13.354 9.020 636 HD3 ARG 103 2HD ARG 103 0.644 -14.609 8.512 637 HE ARG 103 HE ARG 103 1.291 -11.991 9.739 638 HH11 ARG 103 1HH1 ARG 103 2.689 -14.788 8.060 639 HH12 ARG 103 2HH1 ARG 103 4.251 -14.530 8.776 640 HH21 ARG 103 1HH2 ARG 103 3.314 -11.780 10.673 641 HH22 ARG 103 2HH2 ARG 103 4.622 -12.745 10.117 642 H LYS 104 H LYS 104 -2.272 -12.250 8.789 643 HA LYS 104 HA LYS 104 -4.123 -10.294 7.949 644 HB2 LYS 104 1HB LYS 104 -3.747 -10.941 10.281 645 HB3 LYS 104 2HB LYS 104 -2.152 -10.167 10.246 646 HG2 LYS 104 1HG LYS 104 -3.193 -7.962 9.863 647 HG3 LYS 104 2HG LYS 104 -4.781 -8.707 9.671 648 HD2 LYS 104 1HD LYS 104 -4.568 -7.651 11.850 649 HD3 LYS 104 2HD LYS 104 -4.787 -9.402 12.018 650 HE2 LYS 104 1HE LYS 104 -2.370 -9.700 12.378 651 HE3 LYS 104 2HE LYS 104 -2.087 -7.976 12.111 652 HZ1 LYS 104 3HZ LYS 104 -2.170 -8.505 14.475 653 HZ2 LYS 104 1HZ LYS 104 -3.419 -7.520 14.100 654 HZ3 LYS 104 2HZ LYS 104 -3.679 -9.117 14.346 655 H ALA 105 H ALA 105 -3.803 -9.099 6.237 656 HA ALA 105 HA ALA 105 -1.351 -7.601 5.709 657 HB1 ALA 105 1HB ALA 105 -2.695 -8.546 3.872 658 HB2 ALA 105 2HB ALA 105 -4.087 -7.551 4.362 659 HB3 ALA 105 3HB ALA 105 -2.607 -6.782 3.758 660 H ASN 106 H ASN 106 -1.588 -5.237 5.298 661 HA ASN 106 HA ASN 106 -3.195 -3.767 7.328 662 HB2 ASN 106 1HB ASN 106 -1.094 -4.498 8.343 663 HB3 ASN 106 2HB ASN 106 -0.197 -3.875 6.960 664 HD21 ASN 106 2HD2 ASN 106 1.019 -2.701 8.524 665 HD22 ASN 106 1HD2 ASN 106 0.394 -1.185 9.199 666 H VAL 107 H VAL 107 -4.355 -2.609 5.942 667 HA VAL 107 HA VAL 107 -3.168 -1.452 3.452 668 HB VAL 107 HB VAL 107 -6.054 -2.082 4.202 669 HG11 VAL 107 1HG1 VAL 107 -6.026 -0.146 2.670 670 HG12 VAL 107 2HG1 VAL 107 -4.906 -1.003 1.589 671 HG13 VAL 107 3HG1 VAL 107 -6.568 -1.586 1.806 672 HG21 VAL 107 3HG2 VAL 107 -5.885 -3.800 2.437 673 HG22 VAL 107 1HG2 VAL 107 -4.183 -3.387 2.194 674 HG23 VAL 107 2HG2 VAL 107 -4.711 -4.110 3.728 675 H ASN 108 H ASN 108 -2.892 0.659 3.297 676 HA ASN 108 HA ASN 108 -4.829 2.575 4.220 677 HB2 ASN 108 1HB ASN 108 -3.348 3.868 5.712 678 HB3 ASN 108 2HB ASN 108 -3.783 2.312 6.373 679 HD21 ASN 108 2HD2 ASN 108 -1.052 4.104 4.791 680 HD22 ASN 108 1HD2 ASN 108 0.152 3.158 5.643 681 H LEU 109 H LEU 109 -4.226 4.834 3.650 682 HA LEU 109 HA LEU 109 -3.144 5.088 1.019 683 HB2 LEU 109 1HB LEU 109 -3.537 7.159 3.212 684 HB3 LEU 109 2HB LEU 109 -3.170 7.541 1.536 685 HG LEU 109 HG LEU 109 -5.672 6.023 2.403 686 HD11 LEU 109 1HD1 LEU 109 -5.690 8.281 3.349 687 HD12 LEU 109 2HD1 LEU 109 -5.360 8.978 1.752 688 HD13 LEU 109 3HD1 LEU 109 -6.888 8.127 2.054 689 HD21 LEU 109 3HD2 LEU 109 -6.499 6.647 0.133 690 HD22 LEU 109 1HD2 LEU 109 -4.896 7.306 -0.255 691 HD23 LEU 109 2HD2 LEU 109 -5.099 5.574 0.066 692 H ALA 110 H ALA 110 -1.218 5.885 0.275 693 HA ALA 110 HA ALA 110 1.140 4.940 1.332 694 HB1 ALA 110 1HB ALA 110 0.852 5.605 -0.993 695 HB2 ALA 110 2HB ALA 110 0.804 7.322 -0.544 696 HB3 ALA 110 3HB ALA 110 2.297 6.376 -0.328 697 H TYR 111 H TYR 111 1.474 8.509 1.152 698 HA TYR 111 HA TYR 111 3.243 9.167 2.904 699 HB2 TYR 111 1HB TYR 111 2.389 11.285 2.841 700 HB3 TYR 111 2HB TYR 111 1.835 10.519 1.381 701 HD1 TYR 111 2HD TYR 111 -0.684 9.343 1.691 702 HD2 TYR 111 1HD TYR 111 0.896 12.706 3.879 703 HE1 TYR 111 2HE TYR 111 -2.980 9.998 2.341 704 HE2 TYR 111 1HE TYR 111 -1.413 13.439 4.416 705 HH TYR 111 HH TYR 111 -4.296 11.556 3.392 706 H LEU 112 H LEU 112 1.184 7.218 4.767 707 HA LEU 112 HA LEU 112 0.631 9.168 6.898 708 HB2 LEU 112 1HB LEU 112 -0.128 6.220 6.796 709 HB3 LEU 112 2HB LEU 112 -0.753 7.475 7.862 710 HG LEU 112 HG LEU 112 -1.250 7.048 4.918 711 HD11 LEU 112 1HD1 LEU 112 -2.653 5.843 6.573 712 HD12 LEU 112 2HD1 LEU 112 -3.163 7.406 7.249 713 HD13 LEU 112 3HD1 LEU 112 -3.587 6.982 5.574 714 HD21 LEU 112 3HD2 LEU 112 -2.626 9.101 4.916 715 HD22 LEU 112 1HD2 LEU 112 -1.837 9.571 6.450 716 HD23 LEU 112 2HD2 LEU 112 -0.879 9.341 4.960 717 H GLY 113 H GLY 113 1.673 5.784 7.339 718 HA2 GLY 113 1HA GLY 113 3.564 6.516 9.486 719 HA3 GLY 113 2HA GLY 113 3.139 4.879 8.912 720 H ALA 114 H ALA 114 3.965 7.248 6.550 721 HA ALA 114 HA ALA 114 6.012 5.600 5.443 722 HB1 ALA 114 1HB ALA 114 4.432 6.882 4.068 723 HB2 ALA 114 2HB ALA 114 5.026 8.413 4.766 724 HB3 ALA 114 3HB ALA 114 6.085 7.436 3.738 725 H LYS 115 H LYS 115 8.145 5.984 5.081 726 HA LYS 115 HA LYS 115 9.719 7.473 7.021 727 HB2 LYS 115 1HB LYS 115 10.445 6.051 4.416 728 HB3 LYS 115 2HB LYS 115 11.618 6.658 5.567 729 HG2 LYS 115 1HG LYS 115 9.588 4.445 6.131 730 HG3 LYS 115 2HG LYS 115 11.287 4.227 5.708 731 HD2 LYS 115 1HD LYS 115 11.981 5.418 7.773 732 HD3 LYS 115 2HD LYS 115 10.287 5.679 8.200 733 HE2 LYS 115 1HE LYS 115 11.146 3.832 9.488 734 HE3 LYS 115 2HE LYS 115 9.900 3.261 8.372 735 HZ1 LYS 115 3HZ LYS 115 11.873 1.822 8.454 736 HZ2 LYS 115 1HZ LYS 115 11.580 2.369 6.949 737 HZ3 LYS 115 2HZ LYS 115 12.811 3.019 7.841 738 HA PRO 116 HA PRO 116 9.886 11.326 4.856 739 HB2 PRO 116 1HB PRO 116 12.361 12.334 5.475 740 HB3 PRO 116 2HB PRO 116 11.016 12.197 6.648 741 HG2 PRO 116 1HG PRO 116 13.349 10.310 6.258 742 HG3 PRO 116 2HG PRO 116 12.674 10.943 7.792 743 HD2 PRO 116 1HD PRO 116 12.048 8.471 6.810 744 HD3 PRO 116 2HD PRO 116 10.844 9.438 7.705 745 H ARG 117 H ARG 117 9.935 11.485 2.709 746 HA ARG 117 HA ARG 117 11.799 9.832 1.161 747 HB2 ARG 117 1HB ARG 117 9.344 11.352 0.248 748 HB3 ARG 117 2HB ARG 117 10.296 10.182 -0.690 749 HG2 ARG 117 1HG ARG 117 9.877 8.528 1.261 750 HG3 ARG 117 2HG ARG 117 8.630 9.673 1.797 751 HD2 ARG 117 1HD ARG 117 7.463 9.422 -0.339 752 HD3 ARG 117 2HD ARG 117 8.741 8.315 -0.903 753 HE ARG 117 HE ARG 117 8.132 6.977 1.233 754 HH11 ARG 117 1HH1 ARG 117 5.721 8.421 -0.923 755 HH12 ARG 117 2HH1 ARG 117 4.487 7.305 -0.419 756 HH21 ARG 117 1HH2 ARG 117 6.508 5.699 1.923 757 HH22 ARG 117 2HH2 ARG 117 4.926 5.752 1.215 758 H THR 118 H THR 118 12.148 12.863 2.270 759 HA THR 118 HA THR 118 12.840 14.535 0.099 760 HB THR 118 HB THR 118 14.190 15.781 1.857 761 HG1 THR 118 1HG THR 118 14.755 14.179 3.266 762 HG21 THR 118 3HG2 THR 118 12.226 16.457 3.144 763 HG22 THR 118 1HG2 THR 118 11.795 16.260 1.437 764 HG23 THR 118 2HG2 THR 118 11.334 15.015 2.620 765 H ASN 119 H ASN 119 14.613 11.820 1.263 766 HA ASN 119 HA ASN 119 17.210 12.452 0.289 767 HB2 ASN 119 1HB ASN 119 16.619 10.569 1.793 768 HB3 ASN 119 2HB ASN 119 15.747 9.783 0.474 769 HD21 ASN 119 2HD2 ASN 119 19.025 10.954 1.447 770 HD22 ASN 119 1HD2 ASN 119 19.882 9.763 0.486 771 H VAL 120 H VAL 120 14.266 11.842 -1.496 772 HA VAL 120 HA VAL 120 15.798 12.085 -4.040 773 HB VAL 120 HB VAL 120 14.147 10.646 -5.196 774 HG11 VAL 120 1HG1 VAL 120 16.395 9.817 -4.585 775 HG12 VAL 120 2HG1 VAL 120 15.747 9.183 -3.055 776 HG13 VAL 120 3HG1 VAL 120 15.185 8.523 -4.603 777 HG21 VAL 120 3HG2 VAL 120 12.824 8.985 -3.971 778 HG22 VAL 120 1HG2 VAL 120 13.315 9.684 -2.419 779 HG23 VAL 120 2HG2 VAL 120 12.295 10.613 -3.542 780 H GLN 121 H GLN 121 14.932 13.415 -5.537 781 HA GLN 121 HA GLN 121 12.382 14.858 -5.054 782 HB2 GLN 121 1HB GLN 121 15.151 16.134 -5.125 783 HB3 GLN 121 2HB GLN 121 13.654 17.036 -5.310 784 HG2 GLN 121 1HG GLN 121 14.371 15.446 -2.806 785 HG3 GLN 121 2HG GLN 121 14.684 17.154 -3.035 786 HE21 GLN 121 2HE2 GLN 121 12.072 14.768 -2.576 787 HE22 GLN 121 1HE2 GLN 121 10.856 15.980 -2.155 788 H5' G 7 H5' G 7 5.467 -9.124 12.137 789 H5'' G 7 H5" G 7 4.890 -9.864 10.642 790 H4' G 7 H4' G 7 7.018 -11.086 12.470 791 H3' G 7 H3' G 7 7.132 -9.260 10.097 792 H2' G 7 H2' G 7 8.177 -10.740 8.730 793 HO2' G 7 2HO G 7 9.971 -10.568 10.612 794 H1' G 7 H1' G 7 8.152 -13.008 10.625 795 H8 G 7 8H G 7 8.055 -15.024 9.144 796 H1 G 7 1H G 7 4.368 -12.112 4.723 797 H21 G 7 1H2 G 7 4.066 -10.057 5.266 798 H22 G 7 2H2 G 7 4.753 -9.382 6.752 799 HO5' G 7 H5T G 7 4.599 -10.887 13.307 800 H5' U 8 H5' U 8 8.154 -7.020 9.797 801 H5'' U 8 H5" U 8 9.183 -6.166 10.953 802 H4' U 8 H4' U 8 8.009 -4.513 9.745 803 H3' U 8 H3' U 8 7.730 -4.693 12.545 804 H2' U 8 H2' U 8 5.548 -5.409 12.508 805 HO2' U 8 2HO U 8 5.571 -2.603 12.425 806 H1' U 8 H1' U 8 4.969 -3.722 10.044 807 H3 U 8 3H U 8 0.635 -5.120 10.872 808 H5 U 8 5H U 8 2.852 -8.625 11.391 809 H6 U 8 6H U 8 4.903 -7.350 10.864 810 H5' G 9 H5' G 9 9.530 -0.929 9.027 811 H5'' G 9 H5" G 9 8.018 -1.833 9.126 812 H4' G 9 H4' G 9 10.522 -2.768 7.650 813 H3' G 9 H3' G 9 8.028 -1.330 6.759 814 H2' G 9 H2' G 9 8.001 -2.603 4.741 815 HO2' G 9 2HO G 9 10.477 -2.467 4.676 816 H1' G 9 H1' G 9 8.713 -5.003 5.885 817 H8 G 9 8H G 9 6.548 -6.135 5.282 818 H1 G 9 1H G 9 2.902 -1.642 8.125 819 H21 G 9 1H2 G 9 4.249 -0.022 8.942 820 H22 G 9 2H2 G 9 5.979 -0.147 8.683 821 H5' U 10 H5' U 10 8.092 -0.468 3.491 822 H5'' U 10 H5" U 10 9.639 0.374 3.412 823 H4' U 10 H4' U 10 8.225 1.138 1.626 824 H3' U 10 H3' U 10 9.502 2.928 3.295 825 H2' U 10 H2' U 10 7.571 3.284 4.662 826 HO2' U 10 2HO U 10 8.177 5.303 3.038 827 H1' U 10 H1' U 10 5.985 3.398 2.089 828 H3 U 10 3H U 10 2.105 4.589 4.171 829 H5 U 10 5H U 10 3.996 2.183 7.025 830 H6 U 10 6H U 10 5.855 1.825 5.474 831 H5' G 11 H5' G 11 10.918 4.523 -1.428 832 H5'' G 11 H5" G 11 9.513 5.025 -2.365 833 H4' G 11 H4' G 11 9.534 2.508 -0.653 834 H3' G 11 H3' G 11 10.900 3.027 -3.162 835 H2' G 11 H2' G 11 9.272 2.346 -4.537 836 HO2' G 11 2HO G 11 10.538 0.314 -4.067 837 H1' G 11 H1' G 11 7.610 0.920 -2.432 838 H8 G 11 8H G 11 5.758 3.677 -2.733 839 H1 G 11 1H G 11 5.363 1.018 -8.580 840 H21 G 11 1H2 G 11 6.991 -0.543 -8.774 841 H22 G 11 2H2 G 11 8.033 -0.868 -7.398 842 H5' C 12 H5' C 12 11.874 -1.941 -2.460 843 H5'' C 12 H5" C 12 11.028 -1.071 -1.179 844 H4' C 12 H4' C 12 11.679 -3.107 -0.231 845 H3' C 12 H3' C 12 12.541 -0.782 0.938 846 HO3' C 12 H3T C 12 13.338 -2.447 2.592 847 H2' C 12 H2' C 12 14.709 -0.694 0.256 848 HO2' C 12 2HO C 12 16.162 -1.828 1.659 849 H1' C 12 H1' C 12 15.339 -3.594 0.031 850 H41 C 12 1H4 C 12 18.855 0.397 -3.564 851 H42 C 12 2H4 C 12 17.672 0.300 -4.868 852 H5 C 12 5H C 12 15.621 -0.987 -4.635 853 H6 C 12 6H C 12 14.292 -2.322 -3.105 Start of MODEL 16 1 H1 GLY 19 1H GLY 19 -9.590 6.954 15.176 2 H2 GLY 19 2H GLY 19 -9.495 7.212 13.562 3 H3 GLY 19 3H GLY 19 -9.679 5.689 14.139 4 HA2 GLY 19 1HA GLY 19 -7.509 5.749 15.178 5 HA3 GLY 19 2HA GLY 19 -7.411 6.004 13.426 6 H SER 20 H SER 20 -5.555 6.869 15.600 7 HA SER 20 HA SER 20 -5.836 9.809 15.714 8 HB2 SER 20 1HB SER 20 -3.944 9.589 17.315 9 HB3 SER 20 2HB SER 20 -5.375 8.647 17.758 10 HG SER 20 HG SER 20 -3.412 7.433 17.982 11 H THR 21 H THR 21 -4.321 7.694 13.554 12 HA THR 21 HA THR 21 -1.815 8.914 13.052 13 HB THR 21 HB THR 21 -3.622 7.445 11.089 14 HG1 THR 21 1HG THR 21 -2.495 5.623 11.870 15 HG21 THR 21 3HG2 THR 21 -1.460 6.739 10.067 16 HG22 THR 21 1HG2 THR 21 -1.684 8.489 9.972 17 HG23 THR 21 2HG2 THR 21 -0.586 7.805 11.192 18 H ASN 22 H ASN 22 -1.252 10.781 12.126 19 HA ASN 22 HA ASN 22 -3.199 12.630 11.052 20 HB2 ASN 22 1HB ASN 22 -1.212 13.360 12.307 21 HB3 ASN 22 2HB ASN 22 -0.158 12.691 11.061 22 HD21 ASN 22 2HD2 ASN 22 0.642 15.037 11.188 23 HD22 ASN 22 1HD2 ASN 22 -0.162 16.182 10.127 24 H ALA 23 H ALA 23 -3.882 12.867 9.048 25 HA ALA 23 HA ALA 23 -2.303 11.961 6.697 26 HB1 ALA 23 1HB ALA 23 -3.866 10.135 7.344 27 HB2 ALA 23 2HB ALA 23 -5.232 11.267 7.216 28 HB3 ALA 23 3HB ALA 23 -4.289 10.836 5.775 29 H GLU 24 H GLU 24 -3.051 14.678 7.960 30 HA GLU 24 HA GLU 24 -4.909 15.892 6.100 31 HB2 GLU 24 1HB GLU 24 -2.933 17.123 8.058 32 HB3 GLU 24 2HB GLU 24 -4.088 18.037 7.080 33 HG2 GLU 24 1HG GLU 24 -5.961 16.719 8.111 34 HG3 GLU 24 2HG GLU 24 -4.790 15.943 9.180 35 HA PRO 25 HA PRO 25 -1.888 16.703 2.822 36 HB2 PRO 25 1HB PRO 25 -3.295 18.469 1.291 37 HB3 PRO 25 2HB PRO 25 -3.726 16.730 1.394 38 HG2 PRO 25 1HG PRO 25 -4.928 19.050 2.944 39 HG3 PRO 25 2HG PRO 25 -5.789 17.765 2.038 40 HD2 PRO 25 1HD PRO 25 -5.384 17.622 4.732 41 HD3 PRO 25 2HD PRO 25 -5.330 16.157 3.705 42 H VAL 26 H VAL 26 -0.539 18.503 2.077 43 HA VAL 26 HA VAL 26 -0.032 20.273 4.363 44 HB VAL 26 HB VAL 26 1.699 18.803 3.512 45 HG11 VAL 26 1HG1 VAL 26 1.341 19.028 1.062 46 HG12 VAL 26 2HG1 VAL 26 2.066 20.653 1.136 47 HG13 VAL 26 3HG1 VAL 26 3.023 19.234 1.569 48 HG21 VAL 26 3HG2 VAL 26 3.550 20.310 3.814 49 HG22 VAL 26 1HG2 VAL 26 2.545 21.720 3.446 50 HG23 VAL 26 2HG2 VAL 26 2.232 20.759 4.907 51 H VAL 27 H VAL 27 -2.195 21.076 3.317 52 HA VAL 27 HA VAL 27 -3.455 22.810 2.659 53 HB VAL 27 HB VAL 27 -0.946 24.541 2.733 54 HG11 VAL 27 1HG1 VAL 27 -2.830 25.646 1.568 55 HG12 VAL 27 2HG1 VAL 27 -3.916 25.239 2.913 56 HG13 VAL 27 3HG1 VAL 27 -2.571 26.374 3.156 57 HG21 VAL 27 3HG2 VAL 27 -1.713 25.116 5.030 58 HG22 VAL 27 1HG2 VAL 27 -2.986 23.882 4.910 59 HG23 VAL 27 2HG2 VAL 27 -1.272 23.411 4.903 60 H GLY 28 H GLY 28 -4.218 22.217 0.756 61 HA2 GLY 28 1HA GLY 28 -4.713 22.467 -1.509 62 HA3 GLY 28 2HA GLY 28 -3.275 23.498 -1.707 63 H SER 29 H SER 29 -1.177 22.009 -1.094 64 HA SER 29 HA SER 29 -0.826 20.161 -3.254 65 HB2 SER 29 1HB SER 29 0.824 20.619 -0.751 66 HB3 SER 29 2HB SER 29 1.349 19.692 -2.171 67 HG SER 29 HG SER 29 2.089 21.881 -2.241 68 H ARG 30 H ARG 30 -1.636 18.218 -3.434 69 HA ARG 30 HA ARG 30 -1.782 16.276 -1.222 70 HB2 ARG 30 1HB ARG 30 -4.172 16.074 -1.274 71 HB3 ARG 30 2HB ARG 30 -3.742 17.757 -0.987 72 HG2 ARG 30 1HG ARG 30 -4.055 18.069 -3.576 73 HG3 ARG 30 2HG ARG 30 -4.886 16.507 -3.504 74 HD2 ARG 30 1HD ARG 30 -6.356 17.455 -1.692 75 HD3 ARG 30 2HD ARG 30 -5.586 19.021 -1.922 76 HE ARG 30 HE ARG 30 -7.586 17.739 -3.620 77 HH11 ARG 30 1HH1 ARG 30 -5.037 20.215 -3.704 78 HH12 ARG 30 2HH1 ARG 30 -5.770 21.023 -5.059 79 HH21 ARG 30 1HH2 ARG 30 -8.447 18.836 -5.359 80 HH22 ARG 30 2HH2 ARG 30 -7.660 20.253 -5.981 81 H ASP 31 H ASP 31 -0.691 16.615 -4.130 82 HA ASP 31 HA ASP 31 -2.026 15.000 -5.960 83 HB2 ASP 31 1HB ASP 31 0.963 15.518 -5.688 84 HB3 ASP 31 2HB ASP 31 0.141 14.935 -7.135 85 H THR 32 H THR 32 -2.445 12.951 -6.040 86 HA THR 32 HA THR 32 -2.558 10.730 -5.807 87 HB THR 32 HB THR 32 -0.687 9.307 -5.771 88 HG1 THR 32 1HG THR 32 0.655 11.561 -4.771 89 HG21 THR 32 3HG2 THR 32 0.638 10.101 -7.615 90 HG22 THR 32 1HG2 THR 32 -1.051 10.573 -7.866 91 HG23 THR 32 2HG2 THR 32 0.140 11.784 -7.331 92 H MET 33 H MET 33 -1.899 12.581 -3.098 93 HA MET 33 HA MET 33 -1.220 10.740 -1.120 94 HB2 MET 33 1HB MET 33 -3.037 13.174 -0.875 95 HB3 MET 33 2HB MET 33 -2.350 12.288 0.481 96 HG2 MET 33 1HG MET 33 -0.778 13.783 -1.640 97 HG3 MET 33 2HG MET 33 -1.027 14.254 0.041 98 HE1 MET 33 3HE MET 33 2.670 13.612 0.389 99 HE2 MET 33 1HE MET 33 1.718 14.571 -0.770 100 HE3 MET 33 2HE MET 33 1.259 14.533 0.954 101 H PHE 34 H PHE 34 -4.506 11.420 -2.326 102 HA PHE 34 HA PHE 34 -5.689 9.577 -0.372 103 HB2 PHE 34 1HB PHE 34 -7.090 11.044 -2.605 104 HB3 PHE 34 2HB PHE 34 -7.785 10.409 -1.119 105 HD1 PHE 34 2HD PHE 34 -5.727 11.547 0.891 106 HD2 PHE 34 1HD PHE 34 -7.815 13.266 -2.468 107 HE1 PHE 34 2HE PHE 34 -5.514 13.793 1.910 108 HE2 PHE 34 1HE PHE 34 -7.617 15.514 -1.436 109 HZ PHE 34 HZ PHE 34 -6.454 15.785 0.750 110 H THR 35 H THR 35 -4.233 8.975 -3.326 111 HA THR 35 HA THR 35 -6.034 6.661 -3.942 112 HB THR 35 HB THR 35 -5.351 7.017 -6.339 113 HG1 THR 35 1HG THR 35 -4.595 9.085 -6.849 114 HG21 THR 35 3HG2 THR 35 -6.996 8.776 -6.759 115 HG22 THR 35 1HG2 THR 35 -7.569 7.674 -5.498 116 HG23 THR 35 2HG2 THR 35 -6.943 9.279 -5.054 117 H LYS 36 H LYS 36 -2.779 7.637 -3.367 118 HA LYS 36 HA LYS 36 -1.642 5.084 -4.305 119 HB2 LYS 36 1HB LYS 36 -0.528 7.283 -4.644 120 HB3 LYS 36 2HB LYS 36 -0.431 7.493 -2.889 121 HG2 LYS 36 1HG LYS 36 0.969 5.417 -2.761 122 HG3 LYS 36 2HG LYS 36 0.897 5.283 -4.523 123 HD2 LYS 36 1HD LYS 36 2.025 7.422 -4.799 124 HD3 LYS 36 2HD LYS 36 1.973 7.735 -3.047 125 HE2 LYS 36 1HE LYS 36 3.421 5.835 -2.592 126 HE3 LYS 36 2HE LYS 36 3.339 5.313 -4.274 127 HZ1 LYS 36 3HZ LYS 36 5.383 6.455 -3.823 128 HZ2 LYS 36 1HZ LYS 36 4.522 7.315 -4.913 129 HZ3 LYS 36 2HZ LYS 36 4.610 7.828 -3.353 130 H ILE 37 H ILE 37 -1.575 3.328 -3.059 131 HA ILE 37 HA ILE 37 -2.024 3.524 -0.102 132 HB ILE 37 HB ILE 37 -3.089 1.318 -1.884 133 HG12 ILE 37 1HG1 ILE 37 -4.585 3.886 -1.198 134 HG13 ILE 37 2HG1 ILE 37 -4.047 3.400 -2.805 135 HG21 ILE 37 1HG2 ILE 37 -2.940 0.983 0.591 136 HG22 ILE 37 2HG2 ILE 37 -4.027 2.372 0.810 137 HG23 ILE 37 3HG2 ILE 37 -4.585 0.906 -0.025 138 HD11 ILE 37 3HD1 ILE 37 -6.373 2.968 -2.678 139 HD12 ILE 37 1HD1 ILE 37 -5.529 1.412 -2.722 140 HD13 ILE 37 2HD1 ILE 37 -6.200 2.029 -1.187 141 H PHE 38 H PHE 38 -0.608 2.566 1.137 142 HA PHE 38 HA PHE 38 1.384 0.601 0.139 143 HB2 PHE 38 1HB PHE 38 2.357 2.345 1.441 144 HB3 PHE 38 2HB PHE 38 1.062 2.311 2.623 145 HD1 PHE 38 2HD PHE 38 0.940 0.627 4.386 146 HD2 PHE 38 1HD PHE 38 4.260 0.684 1.597 147 HE1 PHE 38 2HE PHE 38 2.246 -0.817 5.902 148 HE2 PHE 38 1HE PHE 38 5.569 -0.679 3.186 149 HZ PHE 38 HZ PHE 38 4.577 -1.476 5.302 150 H VAL 39 H VAL 39 1.200 -1.526 0.678 151 HA VAL 39 HA VAL 39 -1.024 -2.409 2.478 152 HB VAL 39 HB VAL 39 -0.527 -3.519 -0.314 153 HG11 VAL 39 1HG1 VAL 39 -1.283 -5.299 1.134 154 HG12 VAL 39 2HG1 VAL 39 -2.472 -4.258 1.920 155 HG13 VAL 39 3HG1 VAL 39 -2.705 -4.762 0.237 156 HG21 VAL 39 3HG2 VAL 39 -2.747 -2.633 -0.875 157 HG22 VAL 39 1HG2 VAL 39 -2.855 -1.848 0.718 158 HG23 VAL 39 2HG2 VAL 39 -1.638 -1.332 -0.473 159 H GLY 40 H GLY 40 0.393 -2.976 4.059 160 HA2 GLY 40 1HA GLY 40 2.440 -5.075 3.488 161 HA3 GLY 40 2HA GLY 40 2.431 -4.055 4.901 162 H GLY 41 H GLY 41 2.819 -6.289 5.728 163 HA2 GLY 41 1HA GLY 41 2.123 -8.076 7.015 164 HA3 GLY 41 2HA GLY 41 0.444 -7.485 6.907 165 H LEU 42 H LEU 42 2.079 -8.031 3.918 166 HA LEU 42 HA LEU 42 0.226 -10.126 3.112 167 HB2 LEU 42 1HB LEU 42 2.718 -8.982 1.765 168 HB3 LEU 42 2HB LEU 42 1.565 -10.061 0.997 169 HG LEU 42 HG LEU 42 0.933 -7.242 1.982 170 HD11 LEU 42 1HD1 LEU 42 2.456 -7.299 0.027 171 HD12 LEU 42 2HD1 LEU 42 1.302 -8.329 -0.844 172 HD13 LEU 42 3HD1 LEU 42 0.859 -6.665 -0.404 173 HD21 LEU 42 3HD2 LEU 42 -1.177 -7.572 0.649 174 HD22 LEU 42 1HD2 LEU 42 -0.751 -9.282 0.456 175 HD23 LEU 42 2HD2 LEU 42 -1.084 -8.614 2.071 176 HA PRO 43 HA PRO 43 3.041 -13.521 4.130 177 HB2 PRO 43 1HB PRO 43 1.993 -15.526 2.629 178 HB3 PRO 43 2HB PRO 43 1.223 -14.931 4.129 179 HG2 PRO 43 1HG PRO 43 0.511 -14.252 1.275 180 HG3 PRO 43 2HG PRO 43 -0.585 -14.614 2.641 181 HD2 PRO 43 1HD PRO 43 0.035 -12.045 1.813 182 HD3 PRO 43 2HD PRO 43 -0.391 -12.444 3.493 183 H TYR 44 H TYR 44 4.960 -14.242 3.159 184 HA TYR 44 HA TYR 44 5.953 -12.610 1.104 185 HB2 TYR 44 1HB TYR 44 7.062 -15.232 2.151 186 HB3 TYR 44 2HB TYR 44 7.975 -14.057 1.228 187 HD1 TYR 44 1HD TYR 44 6.905 -11.499 2.715 188 HD2 TYR 44 2HD TYR 44 8.498 -15.284 4.039 189 HE1 TYR 44 1HE TYR 44 7.710 -10.432 4.804 190 HE2 TYR 44 2HE TYR 44 9.316 -14.208 6.125 191 HH TYR 44 HH TYR 44 8.810 -10.718 6.799 192 H HIS 45 H HIS 45 4.136 -15.430 0.577 193 HA HIS 45 HA HIS 45 5.227 -15.954 -2.123 194 HB2 HIS 45 1HB HIS 45 3.644 -17.836 -2.123 195 HB3 HIS 45 2HB HIS 45 4.757 -17.857 -0.763 196 HD2 HIS 45 2HD HIS 45 3.470 -18.968 1.161 197 HE1 HIS 45 1HE HIS 45 -0.202 -16.834 0.943 198 HE2 HIS 45 2HE HIS 45 1.104 -18.588 2.245 199 H THR 46 H THR 46 3.125 -13.658 -0.974 200 HA THR 46 HA THR 46 1.079 -13.583 -3.030 201 HB THR 46 HB THR 46 2.264 -11.248 -1.462 202 HG1 THR 46 1HG THR 46 1.470 -12.732 -0.041 203 HG21 THR 46 3HG2 THR 46 0.059 -10.213 -1.811 204 HG22 THR 46 1HG2 THR 46 0.797 -10.559 -3.380 205 HG23 THR 46 2HG2 THR 46 -0.484 -11.616 -2.745 206 H SER 47 H SER 47 1.192 -12.861 -5.111 207 HA SER 47 HA SER 47 3.789 -11.722 -6.087 208 HB2 SER 47 1HB SER 47 1.631 -13.259 -7.578 209 HB3 SER 47 2HB SER 47 3.085 -12.559 -8.297 210 HG SER 47 HG SER 47 3.022 -14.573 -6.268 211 H ASP 48 H ASP 48 3.547 -10.258 -8.006 212 HA ASP 48 HA ASP 48 2.106 -7.929 -7.324 213 HB2 ASP 48 1HB ASP 48 3.088 -8.757 -10.084 214 HB3 ASP 48 2HB ASP 48 2.742 -7.116 -9.546 215 H LYS 49 H LYS 49 1.249 -10.518 -9.638 216 HA LYS 49 HA LYS 49 -1.233 -9.351 -10.508 217 HB2 LYS 49 1HB LYS 49 0.046 -11.107 -11.728 218 HB3 LYS 49 2HB LYS 49 -0.367 -12.276 -10.461 219 HG2 LYS 49 1HG LYS 49 -2.780 -11.973 -10.974 220 HG3 LYS 49 2HG LYS 49 -2.372 -10.765 -12.208 221 HD2 LYS 49 1HD LYS 49 -1.139 -12.489 -13.490 222 HD3 LYS 49 2HD LYS 49 -1.512 -13.695 -12.235 223 HE2 LYS 49 1HE LYS 49 -3.944 -13.352 -12.635 224 HE3 LYS 49 2HE LYS 49 -3.575 -12.159 -13.887 225 HZ1 LYS 49 3HZ LYS 49 -4.019 -14.339 -14.842 226 HZ2 LYS 49 1HZ LYS 49 -2.468 -13.924 -15.147 227 HZ3 LYS 49 2HZ LYS 49 -2.810 -15.027 -13.986 228 H THR 50 H THR 50 -0.455 -11.575 -7.800 229 HA THR 50 HA THR 50 -3.088 -12.213 -6.947 230 HB THR 50 HB THR 50 -0.770 -11.715 -5.050 231 HG1 THR 50 1HG THR 50 -1.192 -14.037 -6.624 232 HG21 THR 50 3HG2 THR 50 -1.699 -13.690 -3.879 233 HG22 THR 50 1HG2 THR 50 -2.884 -12.381 -3.993 234 HG23 THR 50 2HG2 THR 50 -3.010 -13.783 -5.076 235 H LEU 51 H LEU 51 -0.955 -9.495 -5.999 236 HA LEU 51 HA LEU 51 -2.980 -8.328 -4.306 237 HB2 LEU 51 1HB LEU 51 -0.474 -8.132 -3.988 238 HB3 LEU 51 2HB LEU 51 -0.410 -7.146 -5.441 239 HG LEU 51 HG LEU 51 -1.960 -5.482 -4.270 240 HD11 LEU 51 1HD1 LEU 51 -2.902 -6.960 -2.540 241 HD12 LEU 51 2HD1 LEU 51 -1.285 -7.198 -1.840 242 HD13 LEU 51 3HD1 LEU 51 -2.053 -5.596 -1.804 243 HD21 LEU 51 3HD2 LEU 51 -0.134 -4.526 -2.891 244 HD22 LEU 51 1HD2 LEU 51 0.754 -6.059 -3.017 245 HD23 LEU 51 2HD2 LEU 51 0.431 -5.085 -4.473 246 H HIS 52 H HIS 52 -2.058 -7.716 -7.706 247 HA HIS 52 HA HIS 52 -3.760 -5.420 -8.038 248 HB2 HIS 52 1HB HIS 52 -2.052 -6.119 -9.713 249 HB3 HIS 52 2HB HIS 52 -2.961 -7.586 -10.028 250 HD2 HIS 52 2HD HIS 52 -3.309 -3.719 -10.525 251 HE1 HIS 52 1HE HIS 52 -6.084 -5.609 -13.132 252 HE2 HIS 52 2HE HIS 52 -5.027 -3.393 -12.475 253 H GLU 53 H GLU 53 -4.381 -8.916 -8.221 254 HA GLU 53 HA GLU 53 -7.062 -8.695 -9.280 255 HB2 GLU 53 1HB GLU 53 -5.452 -10.918 -8.005 256 HB3 GLU 53 2HB GLU 53 -7.167 -11.137 -8.401 257 HG2 GLU 53 1HG GLU 53 -6.717 -10.509 -10.755 258 HG3 GLU 53 2HG GLU 53 -4.997 -10.391 -10.407 259 H TYR 54 H TYR 54 -5.795 -9.146 -5.923 260 HA TYR 54 HA TYR 54 -8.331 -9.425 -4.702 261 HB2 TYR 54 1HB TYR 54 -6.090 -9.902 -3.666 262 HB3 TYR 54 2HB TYR 54 -5.854 -8.166 -3.461 263 HD1 TYR 54 1HD TYR 54 -7.214 -6.904 -1.800 264 HD2 TYR 54 2HD TYR 54 -7.789 -11.136 -2.406 265 HE1 TYR 54 1HE TYR 54 -8.735 -6.977 0.161 266 HE2 TYR 54 2HE TYR 54 -9.288 -11.220 -0.427 267 HH TYR 54 HH TYR 54 -10.347 -10.014 1.217 268 H PHE 55 H PHE 55 -6.657 -6.454 -5.691 269 HA PHE 55 HA PHE 55 -8.576 -4.773 -4.259 270 HB2 PHE 55 1HB PHE 55 -6.036 -4.252 -5.781 271 HB3 PHE 55 2HB PHE 55 -7.143 -2.934 -5.453 272 HD1 PHE 55 1HD PHE 55 -5.405 -5.754 -3.625 273 HD2 PHE 55 2HD PHE 55 -6.992 -1.749 -3.441 274 HE1 PHE 55 1HE PHE 55 -4.585 -5.534 -1.307 275 HE2 PHE 55 2HE PHE 55 -6.176 -1.543 -1.104 276 HZ PHE 55 HZ PHE 55 -4.999 -3.443 -0.024 277 H GLU 56 H GLU 56 -8.816 -6.277 -7.294 278 HA GLU 56 HA GLU 56 -10.113 -4.145 -8.736 279 HB2 GLU 56 1HB GLU 56 -10.463 -7.152 -9.024 280 HB3 GLU 56 2HB GLU 56 -11.071 -5.918 -10.140 281 HG2 GLU 56 1HG GLU 56 -8.680 -5.135 -10.410 282 HG3 GLU 56 2HG GLU 56 -8.195 -6.626 -9.591 283 H GLN 57 H GLN 57 -11.236 -6.076 -6.098 284 HA GLN 57 HA GLN 57 -14.078 -5.764 -6.556 285 HB2 GLN 57 1HB GLN 57 -14.374 -6.668 -4.394 286 HB3 GLN 57 2HB GLN 57 -12.980 -7.503 -5.078 287 HG2 GLN 57 1HG GLN 57 -11.498 -5.871 -3.772 288 HG3 GLN 57 2HG GLN 57 -12.962 -5.263 -3.005 289 HE21 GLN 57 2HE2 GLN 57 -10.499 -7.619 -2.758 290 HE22 GLN 57 1HE2 GLN 57 -11.270 -8.579 -1.499 291 H PHE 58 H PHE 58 -11.679 -3.496 -5.572 292 HA PHE 58 HA PHE 58 -13.625 -1.751 -4.164 293 HB2 PHE 58 1HB PHE 58 -10.633 -1.435 -4.518 294 HB3 PHE 58 2HB PHE 58 -11.672 -0.527 -3.439 295 HD1 PHE 58 1HD PHE 58 -13.217 -2.352 -1.883 296 HD2 PHE 58 2HD PHE 58 -9.205 -2.840 -3.366 297 HE1 PHE 58 1HE PHE 58 -12.732 -3.953 -0.052 298 HE2 PHE 58 2HE PHE 58 -8.722 -4.458 -1.544 299 HZ PHE 58 HZ PHE 58 -10.491 -5.019 0.117 300 H GLY 59 H GLY 59 -12.296 -2.094 -7.320 301 HA2 GLY 59 1HA GLY 59 -13.604 -0.513 -8.871 302 HA3 GLY 59 2HA GLY 59 -12.808 0.780 -7.984 303 H ASP 60 H ASP 60 -11.570 1.634 -9.516 304 HA ASP 60 HA ASP 60 -10.191 -0.060 -11.514 305 HB2 ASP 60 1HB ASP 60 -10.792 2.912 -11.332 306 HB3 ASP 60 2HB ASP 60 -9.879 2.153 -12.637 307 H ILE 61 H ILE 61 -8.027 -0.188 -11.808 308 HA ILE 61 HA ILE 61 -6.284 0.893 -9.619 309 HB ILE 61 HB ILE 61 -6.036 -1.720 -11.113 310 HG12 ILE 61 1HG1 ILE 61 -6.988 -1.273 -8.243 311 HG13 ILE 61 2HG1 ILE 61 -8.074 -1.628 -9.583 312 HG21 ILE 61 1HG2 ILE 61 -3.881 -0.856 -10.308 313 HG22 ILE 61 2HG2 ILE 61 -4.566 -0.539 -8.701 314 HG23 ILE 61 3HG2 ILE 61 -4.362 -2.194 -9.279 315 HD11 ILE 61 3HD1 ILE 61 -7.743 -3.681 -8.529 316 HD12 ILE 61 1HD1 ILE 61 -6.774 -3.763 -9.995 317 HD13 ILE 61 2HD1 ILE 61 -5.988 -3.479 -8.419 318 H GLU 62 H GLU 62 -4.531 2.050 -10.144 319 HA GLU 62 HA GLU 62 -3.731 2.609 -12.921 320 HB2 GLU 62 1HB GLU 62 -2.886 3.559 -10.173 321 HB3 GLU 62 2HB GLU 62 -1.826 3.819 -11.536 322 HG2 GLU 62 1HG GLU 62 -4.703 4.727 -11.549 323 HG3 GLU 62 2HG GLU 62 -3.408 5.710 -10.882 324 H GLU 63 H GLU 63 -2.432 0.984 -10.008 325 HA GLU 63 HA GLU 63 -0.491 -0.669 -11.423 326 HB2 GLU 63 1HB GLU 63 0.639 1.561 -11.362 327 HB3 GLU 63 2HB GLU 63 0.403 1.633 -9.614 328 HG2 GLU 63 1HG GLU 63 1.870 -0.344 -9.326 329 HG3 GLU 63 2HG GLU 63 2.061 -0.468 -11.078 330 H ALA 64 H ALA 64 0.188 -2.372 -10.053 331 HA ALA 64 HA ALA 64 -0.124 -2.199 -7.172 332 HB1 ALA 64 1HB ALA 64 -2.410 -2.828 -7.750 333 HB2 ALA 64 2HB ALA 64 -1.812 -4.138 -8.778 334 HB3 ALA 64 3HB ALA 64 -1.591 -4.226 -7.020 335 H VAL 65 H VAL 65 1.533 -3.273 -6.266 336 HA VAL 65 HA VAL 65 2.764 -5.658 -7.473 337 HB VAL 65 HB VAL 65 5.055 -4.699 -7.502 338 HG11 VAL 65 1HG1 VAL 65 3.787 -4.876 -9.636 339 HG12 VAL 65 2HG1 VAL 65 3.299 -3.172 -9.450 340 HG13 VAL 65 3HG1 VAL 65 5.008 -3.597 -9.626 341 HG21 VAL 65 3HG2 VAL 65 5.445 -2.298 -7.573 342 HG22 VAL 65 1HG2 VAL 65 3.728 -1.978 -7.234 343 HG23 VAL 65 2HG2 VAL 65 4.760 -2.762 -6.015 344 H VAL 66 H VAL 66 4.414 -6.613 -6.141 345 HA VAL 66 HA VAL 66 4.221 -5.919 -3.222 346 HB VAL 66 HB VAL 66 4.985 -8.557 -4.540 347 HG11 VAL 66 1HG1 VAL 66 6.177 -8.273 -2.397 348 HG12 VAL 66 2HG1 VAL 66 4.658 -7.821 -1.590 349 HG13 VAL 66 3HG1 VAL 66 4.890 -9.465 -2.217 350 HG21 VAL 66 3HG2 VAL 66 2.870 -9.391 -3.528 351 HG22 VAL 66 1HG2 VAL 66 2.480 -7.746 -2.989 352 HG23 VAL 66 2HG2 VAL 66 2.555 -8.131 -4.722 353 H ILE 67 H ILE 67 6.102 -5.407 -2.121 354 HA ILE 67 HA ILE 67 8.491 -4.807 -3.751 355 HB ILE 67 HB ILE 67 7.980 -4.322 -0.799 356 HG12 ILE 67 1HG1 ILE 67 6.471 -2.923 -2.062 357 HG13 ILE 67 2HG1 ILE 67 7.775 -1.951 -1.414 358 HG21 ILE 67 1HG2 ILE 67 10.358 -4.504 -1.162 359 HG22 ILE 67 2HG2 ILE 67 10.280 -3.513 -2.630 360 HG23 ILE 67 3HG2 ILE 67 9.976 -2.790 -1.034 361 HD11 ILE 67 3HD1 ILE 67 7.216 -1.193 -3.622 362 HD12 ILE 67 1HD1 ILE 67 8.863 -1.854 -3.620 363 HD13 ILE 67 2HD1 ILE 67 7.521 -2.797 -4.314 364 H THR 68 H THR 68 9.675 -6.429 -4.281 365 HA THR 68 HA THR 68 10.691 -8.315 -2.215 366 HB THR 68 HB THR 68 11.561 -9.553 -4.252 367 HG1 THR 68 1HG THR 68 10.809 -9.051 -6.201 368 HG21 THR 68 3HG2 THR 68 9.374 -10.612 -4.836 369 HG22 THR 68 1HG2 THR 68 9.675 -10.503 -3.104 370 HG23 THR 68 2HG2 THR 68 8.550 -9.359 -3.880 371 H ASP 69 H ASP 69 12.910 -8.584 -2.017 372 HA ASP 69 HA ASP 69 14.622 -6.351 -2.584 373 HB2 ASP 69 1HB ASP 69 15.068 -7.981 -0.787 374 HB3 ASP 69 2HB ASP 69 15.262 -9.246 -2.009 375 H ARG 70 H ARG 70 15.319 -5.733 -4.551 376 HA ARG 70 HA ARG 70 14.656 -7.248 -6.789 377 HB2 ARG 70 1HB ARG 70 16.422 -4.827 -6.642 378 HB3 ARG 70 2HB ARG 70 15.773 -5.519 -8.140 379 HG2 ARG 70 1HG ARG 70 14.207 -4.384 -5.829 380 HG3 ARG 70 2HG ARG 70 14.381 -3.680 -7.444 381 HD2 ARG 70 1HD ARG 70 13.114 -5.816 -8.222 382 HD3 ARG 70 2HD ARG 70 12.744 -6.054 -6.502 383 HE ARG 70 HE ARG 70 11.554 -4.144 -8.317 384 HH11 ARG 70 1HH1 ARG 70 12.151 -4.549 -4.822 385 HH12 ARG 70 2HH1 ARG 70 11.518 -2.940 -4.495 386 HH21 ARG 70 1HH2 ARG 70 10.566 -2.197 -7.689 387 HH22 ARG 70 2HH2 ARG 70 10.650 -1.733 -5.996 388 H ASN 71 H ASN 71 17.283 -7.894 -4.861 389 HA ASN 71 HA ASN 71 19.067 -8.915 -7.014 390 HB2 ASN 71 1HB ASN 71 19.778 -8.782 -4.082 391 HB3 ASN 71 2HB ASN 71 20.830 -8.749 -5.483 392 HD21 ASN 71 2HD2 ASN 71 18.830 -6.877 -3.307 393 HD22 ASN 71 1HD2 ASN 71 19.253 -5.284 -3.936 394 H THR 72 H THR 72 17.053 -9.944 -4.334 395 HA THR 72 HA THR 72 17.818 -12.833 -4.703 396 HB THR 72 HB THR 72 17.430 -13.085 -2.258 397 HG1 THR 72 1HG THR 72 17.460 -10.248 -2.270 398 HG21 THR 72 3HG2 THR 72 19.500 -12.095 -1.491 399 HG22 THR 72 1HG2 THR 72 19.739 -12.735 -3.128 400 HG23 THR 72 2HG2 THR 72 19.552 -10.984 -2.874 401 H GLN 73 H GLN 73 15.161 -10.662 -4.579 402 HA GLN 73 HA GLN 73 12.972 -10.871 -4.802 403 HB2 GLN 73 1HB GLN 73 13.480 -13.741 -5.655 404 HB3 GLN 73 2HB GLN 73 11.994 -12.836 -5.903 405 HG2 GLN 73 1HG GLN 73 14.705 -12.167 -7.116 406 HG3 GLN 73 2HG GLN 73 13.337 -12.884 -7.949 407 HE21 GLN 73 2HE2 GLN 73 14.722 -10.349 -8.638 408 HE22 GLN 73 1HE2 GLN 73 13.469 -9.123 -8.541 409 H LYS 74 H LYS 74 14.261 -11.614 -2.175 410 HA LYS 74 HA LYS 74 12.846 -13.690 -0.977 411 HB2 LYS 74 1HB LYS 74 13.927 -13.064 1.044 412 HB3 LYS 74 2HB LYS 74 15.004 -12.924 -0.348 413 HG2 LYS 74 1HG LYS 74 14.468 -10.424 -0.376 414 HG3 LYS 74 2HG LYS 74 13.659 -10.648 1.188 415 HD2 LYS 74 1HD LYS 74 15.689 -11.524 2.161 416 HD3 LYS 74 2HD LYS 74 16.484 -11.564 0.581 417 HE2 LYS 74 1HE LYS 74 16.358 -9.077 0.422 418 HE3 LYS 74 2HE LYS 74 15.560 -9.012 1.997 419 HZ1 LYS 74 3HZ LYS 74 17.944 -8.584 2.168 420 HZ2 LYS 74 1HZ LYS 74 17.582 -9.960 2.975 421 HZ3 LYS 74 2HZ LYS 74 18.307 -10.034 1.509 422 H SER 75 H SER 75 11.557 -10.695 -1.511 423 HA SER 75 HA SER 75 9.631 -9.540 -0.914 424 HB2 SER 75 1HB SER 75 8.499 -11.734 -1.008 425 HB3 SER 75 2HB SER 75 8.761 -11.903 0.742 426 HG SER 75 HG SER 75 6.721 -10.784 -0.227 427 H ARG 76 H ARG 76 9.001 -8.036 0.534 428 HA ARG 76 HA ARG 76 10.243 -8.072 3.264 429 HB2 ARG 76 1HB ARG 76 9.244 -5.760 1.566 430 HB3 ARG 76 2HB ARG 76 9.730 -5.659 3.271 431 HG2 ARG 76 1HG ARG 76 11.955 -6.692 2.608 432 HG3 ARG 76 2HG ARG 76 11.510 -6.401 0.918 433 HD2 ARG 76 1HD ARG 76 11.449 -4.032 1.257 434 HD3 ARG 76 2HD ARG 76 11.412 -4.207 3.015 435 HE ARG 76 HE ARG 76 13.787 -4.786 1.280 436 HH11 ARG 76 1HH1 ARG 76 12.595 -4.039 4.548 437 HH12 ARG 76 2HH1 ARG 76 14.211 -3.842 5.155 438 HH21 ARG 76 1HH2 ARG 76 15.743 -4.503 2.094 439 HH22 ARG 76 2HH2 ARG 76 15.998 -4.111 3.781 440 H GLY 77 H GLY 77 7.381 -9.004 1.908 441 HA2 GLY 77 1HA GLY 77 5.357 -9.542 2.919 442 HA3 GLY 77 2HA GLY 77 5.920 -8.796 4.436 443 H TYR 78 H TYR 78 6.138 -6.700 1.709 444 HA TYR 78 HA TYR 78 3.397 -5.746 1.902 445 HB2 TYR 78 1HB TYR 78 3.920 -3.492 2.486 446 HB3 TYR 78 2HB TYR 78 4.689 -4.507 3.688 447 HD1 TYR 78 1HD TYR 78 5.204 -2.185 0.887 448 HD2 TYR 78 2HD TYR 78 7.130 -4.642 3.851 449 HE1 TYR 78 1HE TYR 78 7.362 -0.971 0.513 450 HE2 TYR 78 2HE TYR 78 9.271 -3.433 3.462 451 HH TYR 78 HH TYR 78 10.355 -1.777 2.281 452 H GLY 79 H GLY 79 2.735 -4.284 0.380 453 HA2 GLY 79 1HA GLY 79 4.371 -3.877 -2.083 454 HA3 GLY 79 2HA GLY 79 2.757 -4.597 -2.161 455 H PHE 80 H PHE 80 2.820 -2.607 -3.620 456 HA PHE 80 HA PHE 80 1.328 -0.466 -2.201 457 HB2 PHE 80 1HB PHE 80 3.476 -0.133 -4.312 458 HB3 PHE 80 2HB PHE 80 2.177 1.034 -4.156 459 HD1 PHE 80 1HD PHE 80 4.795 -0.677 -2.066 460 HD2 PHE 80 2HD PHE 80 2.432 2.877 -2.717 461 HE1 PHE 80 1HE PHE 80 5.987 0.468 -0.235 462 HE2 PHE 80 2HE PHE 80 3.723 4.034 -0.923 463 HZ PHE 80 HZ PHE 80 5.428 2.806 0.370 464 H VAL 81 H VAL 81 -0.408 0.301 -3.221 465 HA VAL 81 HA VAL 81 -1.229 -0.749 -5.883 466 HB VAL 81 HB VAL 81 -3.059 -0.676 -3.437 467 HG11 VAL 81 1HG1 VAL 81 -4.268 -0.101 -5.486 468 HG12 VAL 81 2HG1 VAL 81 -3.589 -1.505 -6.329 469 HG13 VAL 81 3HG1 VAL 81 -4.720 -1.726 -4.983 470 HG21 VAL 81 3HG2 VAL 81 -3.227 -3.147 -3.741 471 HG22 VAL 81 1HG2 VAL 81 -1.935 -3.066 -4.957 472 HG23 VAL 81 2HG2 VAL 81 -1.611 -2.631 -3.264 473 H THR 82 H THR 82 -2.060 0.899 -7.123 474 HA THR 82 HA THR 82 -2.856 3.455 -5.773 475 HB THR 82 HB THR 82 -1.230 3.202 -8.323 476 HG1 THR 82 1HG THR 82 0.377 4.094 -7.021 477 HG21 THR 82 3HG2 THR 82 -1.056 5.677 -8.143 478 HG22 THR 82 1HG2 THR 82 -2.740 5.191 -8.362 479 HG23 THR 82 2HG2 THR 82 -2.160 5.663 -6.752 480 H MET 83 H MET 83 -4.723 4.287 -6.421 481 HA MET 83 HA MET 83 -6.338 2.644 -8.314 482 HB2 MET 83 1HB MET 83 -7.314 4.586 -6.215 483 HB3 MET 83 2HB MET 83 -8.256 3.386 -7.079 484 HG2 MET 83 1HG MET 83 -6.069 2.825 -5.051 485 HG3 MET 83 2HG MET 83 -7.794 2.671 -4.792 486 HE1 MET 83 3HE MET 83 -8.833 -0.475 -6.733 487 HE2 MET 83 1HE MET 83 -9.307 0.821 -5.607 488 HE3 MET 83 2HE MET 83 -8.926 1.202 -7.304 489 H LYS 84 H LYS 84 -7.668 3.597 -9.928 490 HA LYS 84 HA LYS 84 -6.474 5.898 -11.220 491 HB2 LYS 84 1HB LYS 84 -8.931 4.226 -11.830 492 HB3 LYS 84 2HB LYS 84 -8.495 5.642 -12.786 493 HG2 LYS 84 1HG LYS 84 -6.242 4.668 -13.181 494 HG3 LYS 84 2HG LYS 84 -6.777 3.172 -12.394 495 HD2 LYS 84 1HD LYS 84 -8.548 2.948 -14.138 496 HD3 LYS 84 2HD LYS 84 -7.994 4.434 -14.904 497 HE2 LYS 84 1HE LYS 84 -6.244 1.966 -14.479 498 HE3 LYS 84 2HE LYS 84 -7.195 2.244 -15.939 499 HZ1 LYS 84 3HZ LYS 84 -4.929 3.003 -16.233 500 HZ2 LYS 84 1HZ LYS 84 -5.933 4.289 -16.305 501 HZ3 LYS 84 2HZ LYS 84 -5.021 4.031 -14.967 502 H ASP 85 H ASP 85 -8.999 5.727 -8.863 503 HA ASP 85 HA ASP 85 -9.277 8.641 -8.892 504 HB2 ASP 85 1HB ASP 85 -10.964 7.797 -10.573 505 HB3 ASP 85 2HB ASP 85 -11.751 6.909 -9.268 506 H ARG 86 H ARG 86 -10.229 9.493 -7.037 507 HA ARG 86 HA ARG 86 -9.626 8.221 -4.583 508 HB2 ARG 86 1HB ARG 86 -9.835 10.711 -5.147 509 HB3 ARG 86 2HB ARG 86 -11.582 10.517 -4.946 510 HG2 ARG 86 1HG ARG 86 -11.147 9.707 -2.588 511 HG3 ARG 86 2HG ARG 86 -9.421 9.972 -2.856 512 HD2 ARG 86 1HD ARG 86 -9.876 12.383 -3.262 513 HD3 ARG 86 2HD ARG 86 -11.608 12.093 -2.994 514 HE ARG 86 HE ARG 86 -10.201 11.112 -0.740 515 HH11 ARG 86 1HH1 ARG 86 -10.984 14.251 -2.170 516 HH12 ARG 86 2HH1 ARG 86 -10.855 15.078 -0.646 517 HH21 ARG 86 1HH2 ARG 86 -10.025 12.246 1.187 518 HH22 ARG 86 2HH2 ARG 86 -10.315 13.957 1.222 519 H ALA 87 H ALA 87 -12.670 8.251 -6.438 520 HA ALA 87 HA ALA 87 -14.317 7.112 -4.370 521 HB1 ALA 87 1HB ALA 87 -15.191 8.366 -6.319 522 HB2 ALA 87 2HB ALA 87 -14.637 7.069 -7.404 523 HB3 ALA 87 3HB ALA 87 -15.909 6.749 -6.207 524 H SER 88 H SER 88 -11.889 5.614 -6.372 525 HA SER 88 HA SER 88 -12.879 2.867 -5.682 526 HB2 SER 88 1HB SER 88 -10.455 3.760 -7.279 527 HB3 SER 88 2HB SER 88 -10.981 2.091 -6.999 528 HG SER 88 HG SER 88 -12.421 4.121 -8.412 529 H ALA 89 H ALA 89 -10.279 5.198 -4.880 530 HA ALA 89 HA ALA 89 -8.867 3.431 -3.109 531 HB1 ALA 89 1HB ALA 89 -7.909 5.444 -4.207 532 HB2 ALA 89 2HB ALA 89 -8.934 6.472 -3.180 533 HB3 ALA 89 3HB ALA 89 -7.685 5.445 -2.447 534 H GLU 90 H GLU 90 -11.563 5.722 -2.479 535 HA GLU 90 HA GLU 90 -11.477 5.476 0.342 536 HB2 GLU 90 1HB GLU 90 -13.659 6.373 0.403 537 HB3 GLU 90 2HB GLU 90 -12.746 7.190 -0.877 538 HG2 GLU 90 1HG GLU 90 -13.913 5.841 -2.564 539 HG3 GLU 90 2HG GLU 90 -14.818 5.018 -1.295 540 H ARG 91 H ARG 91 -13.068 3.457 -2.065 541 HA ARG 91 HA ARG 91 -14.222 1.554 -0.199 542 HB2 ARG 91 1HB ARG 91 -13.642 1.486 -3.178 543 HB3 ARG 91 2HB ARG 91 -14.291 0.085 -2.311 544 HG2 ARG 91 1HG ARG 91 -16.216 1.371 -1.534 545 HG3 ARG 91 2HG ARG 91 -15.615 2.838 -2.321 546 HD2 ARG 91 1HD ARG 91 -16.229 0.265 -3.830 547 HD3 ARG 91 2HD ARG 91 -17.429 1.536 -3.545 548 HE ARG 91 HE ARG 91 -15.428 2.990 -4.631 549 HH11 ARG 91 1HH2 ARG 91 -16.931 0.017 -5.849 550 HH12 ARG 91 2HH2 ARG 91 -16.611 0.446 -7.502 551 HH21 ARG 91 1HH1 ARG 91 -15.064 3.465 -6.711 552 HH22 ARG 91 2HH1 ARG 91 -15.534 2.383 -7.996 553 H ALA 92 H ALA 92 -11.065 1.697 -1.905 554 HA ALA 92 HA ALA 92 -10.165 -0.879 -1.009 555 HB1 ALA 92 1HB ALA 92 -9.213 0.349 -2.946 556 HB2 ALA 92 2HB ALA 92 -8.558 1.572 -1.832 557 HB3 ALA 92 3HB ALA 92 -7.969 -0.096 -1.763 558 H CYS 93 H CYS 93 -9.787 2.363 0.485 559 HA CYS 93 HA CYS 93 -8.282 1.269 2.731 560 HB2 CYS 93 1HB CYS 93 -8.097 3.494 3.468 561 HB3 CYS 93 2HB CYS 93 -8.094 3.615 1.700 562 HG CYS 93 HG CYS 93 -10.837 3.971 1.644 563 H LYS 94 H LYS 94 -11.569 1.131 2.046 564 HA LYS 94 HA LYS 94 -12.873 1.731 4.449 565 HB2 LYS 94 1HB LYS 94 -13.777 1.280 2.132 566 HB3 LYS 94 2HB LYS 94 -13.697 -0.445 2.506 567 HG2 LYS 94 1HG LYS 94 -15.263 -0.173 4.352 568 HG3 LYS 94 2HG LYS 94 -15.182 1.601 4.219 569 HD2 LYS 94 1HD LYS 94 -16.164 1.527 1.996 570 HD3 LYS 94 2HD LYS 94 -16.221 -0.253 2.047 571 HE2 LYS 94 1HE LYS 94 -17.725 -0.136 4.033 572 HE3 LYS 94 2HE LYS 94 -17.671 1.630 3.972 573 HZ1 LYS 94 3HZ LYS 94 -19.658 0.767 2.891 574 HZ2 LYS 94 1HZ LYS 94 -18.728 1.522 1.783 575 HZ3 LYS 94 2HZ LYS 94 -18.776 -0.114 1.837 576 H ASP 95 H ASP 95 -11.217 -1.230 3.552 577 HA ASP 95 HA ASP 95 -11.672 -2.380 6.282 578 HB2 ASP 95 1HB ASP 95 -12.592 -3.716 4.425 579 HB3 ASP 95 2HB ASP 95 -10.976 -3.871 3.737 580 HA PRO 96 HA PRO 96 -7.269 -1.234 6.316 581 HB2 PRO 96 1HB PRO 96 -6.825 -1.204 8.995 582 HB3 PRO 96 2HB PRO 96 -7.785 0.061 8.168 583 HG2 PRO 96 1HG PRO 96 -8.813 -2.399 9.627 584 HG3 PRO 96 2HG PRO 96 -9.343 -0.696 9.823 585 HD2 PRO 96 1HD PRO 96 -10.663 -2.465 8.212 586 HD3 PRO 96 2HD PRO 96 -10.525 -0.733 7.783 587 H ASN 97 H ASN 97 -8.724 -4.221 7.411 588 HA ASN 97 HA ASN 97 -6.108 -5.608 7.285 589 HB2 ASN 97 1HB ASN 97 -8.078 -5.969 9.569 590 HB3 ASN 97 2HB ASN 97 -6.646 -6.934 9.271 591 HD21 ASN 97 2HD2 ASN 97 -4.495 -5.603 9.142 592 HD22 ASN 97 1HD2 ASN 97 -4.355 -4.416 10.435 593 HA PRO 98 HA PRO 98 -9.526 -7.502 4.856 594 HB2 PRO 98 1HB PRO 98 -8.286 -7.717 2.436 595 HB3 PRO 98 2HB PRO 98 -8.988 -6.184 3.049 596 HG2 PRO 98 1HG PRO 98 -6.106 -7.121 3.139 597 HG3 PRO 98 2HG PRO 98 -6.735 -5.533 2.612 598 HD2 PRO 98 1HD PRO 98 -5.751 -5.972 5.124 599 HD3 PRO 98 2HD PRO 98 -7.121 -4.872 4.838 600 H ILE 99 H ILE 99 -6.460 -8.822 5.647 601 HA ILE 99 HA ILE 99 -5.666 -10.956 5.879 602 HB ILE 99 HB ILE 99 -8.435 -12.057 5.488 603 HG12 ILE 99 1HG1 ILE 99 -8.861 -10.256 6.997 604 HG13 ILE 99 2HG1 ILE 99 -8.867 -11.758 7.895 605 HG21 ILE 99 1HG2 ILE 99 -6.631 -13.702 5.772 606 HG22 ILE 99 2HG2 ILE 99 -6.072 -12.887 7.239 607 HG23 ILE 99 3HG2 ILE 99 -7.659 -13.682 7.202 608 HD11 ILE 99 3HD1 ILE 99 -7.788 -10.021 9.192 609 HD12 ILE 99 1HD1 ILE 99 -6.558 -11.217 8.743 610 HD13 ILE 99 2HD1 ILE 99 -6.667 -9.656 7.878 611 H ILE 100 H ILE 100 -4.792 -10.201 3.687 612 HA ILE 100 HA ILE 100 -5.810 -11.464 1.273 613 HB ILE 100 HB ILE 100 -3.272 -9.905 1.845 614 HG12 ILE 100 1HG1 ILE 100 -5.691 -9.186 0.129 615 HG13 ILE 100 2HG1 ILE 100 -5.633 -8.819 1.839 616 HG21 ILE 100 1HG2 ILE 100 -2.757 -11.429 -0.022 617 HG22 ILE 100 2HG2 ILE 100 -4.268 -10.979 -0.842 618 HG23 ILE 100 3HG2 ILE 100 -2.959 -9.800 -0.650 619 HD11 ILE 100 3HD1 ILE 100 -5.009 -6.851 0.621 620 HD12 ILE 100 1HD1 ILE 100 -3.583 -7.444 1.488 621 HD13 ILE 100 2HD1 ILE 100 -3.741 -7.714 -0.264 622 H ASP 101 H ASP 101 -5.599 -13.424 0.683 623 HA ASP 101 HA ASP 101 -5.029 -15.539 0.424 624 HB2 ASP 101 1HB ASP 101 -2.933 -14.163 -0.505 625 HB3 ASP 101 2HB ASP 101 -2.088 -15.053 0.752 626 H GLY 102 H GLY 102 -5.430 -14.587 3.231 627 HA2 GLY 102 1HA GLY 102 -5.959 -15.984 5.043 628 HA3 GLY 102 2HA GLY 102 -4.778 -17.191 4.496 629 H ARG 103 H ARG 103 -3.917 -13.786 4.948 630 HA ARG 103 HA ARG 103 -2.822 -14.215 7.661 631 HB2 ARG 103 1HB ARG 103 -0.996 -14.980 6.212 632 HB3 ARG 103 2HB ARG 103 -1.143 -13.545 5.212 633 HG2 ARG 103 1HG ARG 103 0.815 -13.359 6.591 634 HG3 ARG 103 2HG ARG 103 -0.342 -12.128 7.084 635 HD2 ARG 103 1HD ARG 103 -1.004 -13.511 9.033 636 HD3 ARG 103 2HD ARG 103 0.095 -14.786 8.524 637 HE ARG 103 HE ARG 103 0.774 -12.222 9.818 638 HH11 ARG 103 1HH1 ARG 103 2.167 -14.931 7.996 639 HH12 ARG 103 2HH1 ARG 103 3.728 -14.715 8.729 640 HH21 ARG 103 1HH2 ARG 103 2.793 -12.074 10.773 641 HH22 ARG 103 2HH2 ARG 103 4.103 -13.003 10.160 642 H LYS 104 H LYS 104 -2.836 -12.326 8.859 643 HA LYS 104 HA LYS 104 -4.505 -10.243 7.944 644 HB2 LYS 104 1HB LYS 104 -4.296 -10.887 10.296 645 HB3 LYS 104 2HB LYS 104 -2.655 -10.215 10.349 646 HG2 LYS 104 1HG LYS 104 -3.548 -7.967 9.771 647 HG3 LYS 104 2HG LYS 104 -5.184 -8.620 9.666 648 HD2 LYS 104 1HD LYS 104 -3.481 -8.677 12.192 649 HD3 LYS 104 2HD LYS 104 -4.597 -7.363 11.776 650 HE2 LYS 104 1HE LYS 104 -6.493 -8.915 11.723 651 HE3 LYS 104 2HE LYS 104 -5.425 -10.282 12.087 652 HZ1 LYS 104 3HZ LYS 104 -6.528 -9.469 14.084 653 HZ2 LYS 104 1HZ LYS 104 -4.918 -9.231 14.222 654 HZ3 LYS 104 2HZ LYS 104 -5.907 -7.970 13.889 655 H ALA 105 H ALA 105 -4.049 -9.046 6.284 656 HA ALA 105 HA ALA 105 -1.499 -7.650 5.909 657 HB1 ALA 105 1HB ALA 105 -2.730 -8.528 3.970 658 HB2 ALA 105 2HB ALA 105 -4.145 -7.537 4.395 659 HB3 ALA 105 3HB ALA 105 -2.628 -6.762 3.895 660 H ASN 106 H ASN 106 -1.675 -5.263 5.514 661 HA ASN 106 HA ASN 106 -3.489 -3.801 7.359 662 HB2 ASN 106 1HB ASN 106 -1.613 -4.169 8.754 663 HB3 ASN 106 2HB ASN 106 -0.481 -3.929 7.427 664 HD21 ASN 106 2HD2 ASN 106 0.554 -2.014 7.493 665 HD22 ASN 106 1HD2 ASN 106 -0.165 -0.481 8.012 666 H VAL 107 H VAL 107 -4.438 -2.319 6.159 667 HA VAL 107 HA VAL 107 -3.124 -1.291 3.661 668 HB VAL 107 HB VAL 107 -6.074 -1.627 4.336 669 HG11 VAL 107 1HG1 VAL 107 -5.792 0.316 2.845 670 HG12 VAL 107 2HG1 VAL 107 -4.722 -0.632 1.788 671 HG13 VAL 107 3HG1 VAL 107 -6.441 -1.043 1.924 672 HG21 VAL 107 3HG2 VAL 107 -6.047 -3.328 2.547 673 HG22 VAL 107 1HG2 VAL 107 -4.303 -3.092 2.338 674 HG23 VAL 107 2HG2 VAL 107 -4.934 -3.782 3.847 675 H ASN 108 H ASN 108 -2.627 0.778 3.563 676 HA ASN 108 HA ASN 108 -4.369 2.849 4.566 677 HB2 ASN 108 1HB ASN 108 -2.768 3.963 6.048 678 HB3 ASN 108 2HB ASN 108 -3.255 2.404 6.670 679 HD21 ASN 108 2HD2 ASN 108 -0.519 4.118 5.013 680 HD22 ASN 108 1HD2 ASN 108 0.677 3.109 5.788 681 H LEU 109 H LEU 109 -3.614 5.047 3.973 682 HA LEU 109 HA LEU 109 -2.565 5.145 1.293 683 HB2 LEU 109 1HB LEU 109 -2.839 7.381 3.330 684 HB3 LEU 109 2HB LEU 109 -2.636 7.554 1.586 685 HG LEU 109 HG LEU 109 -5.061 6.260 2.908 686 HD11 LEU 109 1HD1 LEU 109 -4.925 8.646 3.452 687 HD12 LEU 109 2HD1 LEU 109 -4.769 9.049 1.732 688 HD13 LEU 109 3HD1 LEU 109 -6.264 8.314 2.340 689 HD21 LEU 109 3HD2 LEU 109 -6.100 6.518 0.657 690 HD22 LEU 109 1HD2 LEU 109 -4.533 7.048 0.009 691 HD23 LEU 109 2HD2 LEU 109 -4.733 5.401 0.646 692 H ALA 110 H ALA 110 -0.612 5.995 0.539 693 HA ALA 110 HA ALA 110 1.721 5.027 1.706 694 HB1 ALA 110 1HB ALA 110 1.551 5.476 -0.622 695 HB2 ALA 110 2HB ALA 110 1.470 7.237 -0.358 696 HB3 ALA 110 3HB ALA 110 2.961 6.329 0.024 697 H TYR 111 H TYR 111 2.188 8.532 1.266 698 HA TYR 111 HA TYR 111 3.784 9.454 2.946 699 HB2 TYR 111 1HB TYR 111 2.704 11.502 2.871 700 HB3 TYR 111 2HB TYR 111 2.277 10.632 1.427 701 HD1 TYR 111 1HD TYR 111 -0.078 9.188 1.697 702 HD2 TYR 111 2HD TYR 111 1.007 12.771 3.843 703 HE1 TYR 111 1HE TYR 111 -2.465 9.658 2.144 704 HE2 TYR 111 2HE TYR 111 -1.397 13.288 4.188 705 HH TYR 111 HH TYR 111 -3.609 12.536 3.871 706 H LEU 112 H LEU 112 1.796 7.522 4.962 707 HA LEU 112 HA LEU 112 1.408 9.532 7.068 708 HB2 LEU 112 1HB LEU 112 0.673 6.588 7.200 709 HB3 LEU 112 2HB LEU 112 -0.002 7.946 8.091 710 HG LEU 112 HG LEU 112 -0.393 7.233 5.172 711 HD11 LEU 112 1HD1 LEU 112 -1.765 5.982 6.809 712 HD12 LEU 112 2HD1 LEU 112 -2.409 7.522 7.426 713 HD13 LEU 112 3HD1 LEU 112 -2.744 7.025 5.752 714 HD21 LEU 112 3HD2 LEU 112 -1.950 9.155 5.025 715 HD22 LEU 112 1HD2 LEU 112 -1.290 9.751 6.572 716 HD23 LEU 112 2HD2 LEU 112 -0.246 9.588 5.136 717 H GLY 113 H GLY 113 2.714 6.192 7.113 718 HA2 GLY 113 1HA GLY 113 4.799 6.916 9.117 719 HA3 GLY 113 2HA GLY 113 4.330 5.281 8.581 720 H ALA 114 H ALA 114 4.819 7.739 6.179 721 HA ALA 114 HA ALA 114 6.650 6.044 4.782 722 HB1 ALA 114 1HB ALA 114 4.881 7.342 3.679 723 HB2 ALA 114 2HB ALA 114 5.694 8.862 4.154 724 HB3 ALA 114 3HB ALA 114 6.470 7.741 3.015 725 H LYS 115 H LYS 115 8.578 6.632 3.783 726 HA LYS 115 HA LYS 115 10.481 8.254 5.407 727 HB2 LYS 115 1HB LYS 115 10.852 5.388 4.463 728 HB3 LYS 115 2HB LYS 115 12.020 6.360 5.360 729 HG2 LYS 115 1HG LYS 115 10.249 6.562 7.210 730 HG3 LYS 115 2HG LYS 115 9.333 5.311 6.337 731 HD2 LYS 115 1HD LYS 115 11.403 3.865 6.426 732 HD3 LYS 115 2HD LYS 115 12.134 5.075 7.490 733 HE2 LYS 115 1HE LYS 115 9.542 3.534 8.024 734 HE3 LYS 115 2HE LYS 115 11.114 3.124 8.704 735 HZ1 LYS 115 3HZ LYS 115 9.818 4.400 10.274 736 HZ2 LYS 115 1HZ LYS 115 11.116 5.288 9.834 737 HZ3 LYS 115 2HZ LYS 115 9.632 5.642 9.230 738 HA PRO 116 HA PRO 116 12.001 9.577 1.428 739 HB2 PRO 116 1HB PRO 116 14.626 10.200 1.911 740 HB3 PRO 116 2HB PRO 116 13.255 11.157 2.553 741 HG2 PRO 116 1HG PRO 116 14.824 8.979 3.969 742 HG3 PRO 116 2HG PRO 116 14.411 10.616 4.572 743 HD2 PRO 116 1HD PRO 116 12.932 8.445 5.242 744 HD3 PRO 116 2HD PRO 116 12.149 10.020 4.917 745 H ARG 117 H ARG 117 12.915 8.744 -0.418 746 HA ARG 117 HA ARG 117 14.766 6.466 -0.370 747 HB2 ARG 117 1HB ARG 117 12.416 5.582 0.097 748 HB3 ARG 117 2HB ARG 117 11.982 6.039 -1.535 749 HG2 ARG 117 1HG ARG 117 14.155 4.049 -0.712 750 HG3 ARG 117 2HG ARG 117 12.540 3.648 -1.295 751 HD2 ARG 117 1HD ARG 117 13.117 4.778 -3.483 752 HD3 ARG 117 2HD ARG 117 14.779 4.926 -2.872 753 HE ARG 117 HE ARG 117 13.547 2.220 -2.921 754 HH11 ARG 117 1HH1 ARG 117 15.854 4.410 -4.535 755 HH12 ARG 117 2HH1 ARG 117 16.628 3.071 -5.337 756 HH21 ARG 117 1HH2 ARG 117 14.465 0.686 -3.977 757 HH22 ARG 117 2HH2 ARG 117 15.853 0.935 -5.032 758 H THR 118 H THR 118 15.982 8.034 -1.399 759 HA THR 118 HA THR 118 17.090 9.015 -3.091 760 HB THR 118 HB THR 118 17.478 7.570 -5.037 761 HG1 THR 118 1HG THR 118 15.401 6.814 -5.390 762 HG21 THR 118 3HG2 THR 118 18.274 5.619 -3.861 763 HG22 THR 118 1HG2 THR 118 18.555 7.048 -2.854 764 HG23 THR 118 2HG2 THR 118 17.214 5.941 -2.475 765 H ASN 119 H ASN 119 13.975 9.618 -3.273 766 HA ASN 119 HA ASN 119 14.119 11.053 -5.898 767 HB2 ASN 119 1HB ASN 119 11.898 9.328 -4.722 768 HB3 ASN 119 2HB ASN 119 11.680 10.380 -6.115 769 HD21 ASN 119 2HD2 ASN 119 13.055 7.335 -5.038 770 HD22 ASN 119 1HD2 ASN 119 13.433 6.769 -6.667 771 H VAL 120 H VAL 120 14.408 11.983 -2.995 772 HA VAL 120 HA VAL 120 12.563 14.281 -3.056 773 HB VAL 120 HB VAL 120 11.889 13.972 -0.683 774 HG11 VAL 120 1HG1 VAL 120 10.340 13.395 -2.535 775 HG12 VAL 120 2HG1 VAL 120 10.885 11.702 -2.439 776 HG13 VAL 120 3HG1 VAL 120 10.056 12.451 -1.064 777 HG21 VAL 120 3HG2 VAL 120 11.963 11.771 0.385 778 HG22 VAL 120 1HG2 VAL 120 12.885 11.100 -0.973 779 HG23 VAL 120 2HG2 VAL 120 13.603 12.348 0.070 780 H GLN 121 H GLN 121 13.160 15.983 -1.652 781 HA GLN 121 HA GLN 121 15.670 15.966 -0.164 782 HB2 GLN 121 1HB GLN 121 16.429 16.105 -2.539 783 HB3 GLN 121 2HB GLN 121 15.460 17.567 -2.752 784 HG2 GLN 121 1HG GLN 121 16.806 18.699 -0.987 785 HG3 GLN 121 2HG GLN 121 17.770 17.236 -0.778 786 HE21 GLN 121 2HE2 GLN 121 18.197 20.196 -1.954 787 HE22 GLN 121 1HE2 GLN 121 19.151 19.837 -3.388 788 H5' G 7 H5' G 7 4.808 -9.643 12.641 789 H5'' G 7 H5" G 7 4.403 -10.244 11.031 790 H4' G 7 H4' G 7 6.224 -11.692 13.018 791 H3' G 7 H3' G 7 6.716 -9.729 10.809 792 H2' G 7 H2' G 7 7.864 -11.170 9.486 793 HO2' G 7 2HO G 7 9.411 -11.197 11.588 794 H1' G 7 H1' G 7 7.509 -13.541 11.217 795 H8 G 7 8H G 7 7.634 -15.428 9.573 796 H1 G 7 1H G 7 4.410 -12.202 5.009 797 H21 G 7 1H2 G 7 4.022 -10.196 5.668 798 H22 G 7 2H2 G 7 4.569 -9.622 7.253 799 HO5' G 7 H5T G 7 3.722 -11.439 13.550 800 H5' U 8 H5' U 8 7.835 -7.578 10.740 801 H5'' U 8 H5" U 8 8.780 -6.837 12.036 802 H4' U 8 H4' U 8 7.858 -5.075 10.767 803 H3' U 8 H3' U 8 7.321 -5.285 13.510 804 H2' U 8 H2' U 8 5.129 -6.006 13.242 805 HO2' U 8 2HO U 8 5.182 -3.192 13.356 806 H1' U 8 H1' U 8 4.800 -4.116 10.887 807 H3 U 8 3H U 8 0.378 -5.274 11.136 808 H5 U 8 5H U 8 2.314 -8.948 11.647 809 H6 U 8 6H U 8 4.481 -7.778 11.443 810 H5' G 9 H5' G 9 9.212 -1.356 10.143 811 H5'' G 9 H5" G 9 7.687 -2.248 10.208 812 H4' G 9 H4' G 9 10.171 -3.237 8.744 813 H3' G 9 H3' G 9 7.829 -1.578 7.786 814 H2' G 9 H2' G 9 7.888 -2.743 5.718 815 HO2' G 9 2HO G 9 10.400 -2.753 5.954 816 H1' G 9 H1' G 9 8.374 -5.238 6.799 817 H8 G 9 8H G 9 6.207 -6.097 5.814 818 H1 G 9 1H G 9 2.616 -1.559 8.666 819 H21 G 9 1H2 G 9 3.968 -0.236 9.903 820 H22 G 9 2H2 G 9 5.693 -0.554 9.922 821 H5' U 10 H5' U 10 8.256 -0.705 4.451 822 H5'' U 10 H5" U 10 9.880 -0.046 4.636 823 H4' U 10 H4' U 10 8.897 0.910 2.678 824 H3' U 10 H3' U 10 9.668 2.587 4.907 825 H2' U 10 H2' U 10 7.767 3.786 5.147 826 HO2' U 10 2HO U 10 8.908 4.596 2.803 827 H1' U 10 H1' U 10 6.571 3.136 2.487 828 H3 U 10 3H U 10 2.759 4.839 4.369 829 H5 U 10 5H U 10 4.291 2.387 7.394 830 H6 U 10 6H U 10 6.183 1.819 5.952 831 H5' G 11 H5' G 11 10.625 3.003 -0.339 832 H5'' G 11 H5" G 11 9.190 2.832 0.671 833 H4' G 11 H4' G 11 9.249 0.337 -0.314 834 H3' G 11 H3' G 11 11.037 1.775 -2.103 835 H2' G 11 H2' G 11 9.396 2.555 -3.406 836 HO2' G 11 2HO G 11 9.979 0.153 -4.390 837 H1' G 11 H1' G 11 7.375 0.442 -2.494 838 H8 G 11 8H G 11 6.865 3.958 -1.718 839 H1 G 11 1H G 11 4.356 2.574 -7.489 840 H21 G 11 1H2 G 11 4.738 0.591 -7.959 841 H22 G 11 2H2 G 11 5.714 -0.483 -6.926 842 H5' C 12 H5' C 12 12.636 -1.960 -0.630 843 H5'' C 12 H5" C 12 14.023 -1.418 -1.579 844 H4' C 12 H4' C 12 13.099 -4.268 -1.040 845 H3' C 12 H3' C 12 14.932 -2.791 0.326 846 HO3' C 12 H3T C 12 16.176 -5.102 -0.236 847 H2' C 12 H2' C 12 16.155 -2.042 -1.576 848 HO2' C 12 2HO C 12 18.114 -3.428 -1.673 849 H1' C 12 H1' C 12 16.252 -4.825 -2.743 850 H41 C 12 1H4 C 12 18.323 -0.718 -7.176 851 H42 C 12 2H4 C 12 16.666 -0.316 -7.616 852 H5 C 12 5H C 12 14.769 -1.185 -6.361 853 H6 C 12 6H C 12 14.119 -2.629 -4.507 Start of MODEL 17 1 H1 GLY 19 1H GLY 19 -32.971 16.564 -1.755 2 H2 GLY 19 2H GLY 19 -31.544 16.941 -1.050 3 H3 GLY 19 3H GLY 19 -31.903 17.530 -2.538 4 HA2 GLY 19 1HA GLY 19 -31.868 15.320 -3.490 5 HA3 GLY 19 2HA GLY 19 -30.315 15.744 -2.745 6 H SER 20 H SER 20 -31.408 13.061 -3.235 7 HA SER 20 HA SER 20 -32.253 11.976 -0.640 8 HB2 SER 20 1HB SER 20 -32.347 9.856 -1.939 9 HB3 SER 20 2HB SER 20 -33.294 11.171 -2.653 10 HG SER 20 HG SER 20 -32.026 10.041 -4.229 11 H THR 21 H THR 21 -29.208 12.626 -1.982 12 HA THR 21 HA THR 21 -27.724 11.229 0.064 13 HB THR 21 HB THR 21 -28.233 9.372 -1.530 14 HG1 THR 21 1HG THR 21 -26.119 8.645 -1.478 15 HG21 THR 21 3HG2 THR 21 -27.053 9.228 -3.656 16 HG22 THR 21 1HG2 THR 21 -28.121 10.638 -3.676 17 HG23 THR 21 2HG2 THR 21 -26.372 10.853 -3.444 18 H ASN 22 H ASN 22 -25.287 11.462 -0.473 19 HA ASN 22 HA ASN 22 -24.737 14.270 -0.659 20 HB2 ASN 22 1HB ASN 22 -23.461 12.652 0.736 21 HB3 ASN 22 2HB ASN 22 -22.849 11.883 -0.729 22 HD21 ASN 22 2HD2 ASN 22 -20.632 12.368 -0.380 23 HD22 ASN 22 1HD2 ASN 22 -20.030 14.017 -0.389 24 H ALA 23 H ALA 23 -23.754 15.500 -2.240 25 HA ALA 23 HA ALA 23 -24.250 14.806 -4.990 26 HB1 ALA 23 1HB ALA 23 -24.472 17.095 -4.090 27 HB2 ALA 23 2HB ALA 23 -22.725 17.141 -3.748 28 HB3 ALA 23 3HB ALA 23 -23.304 17.050 -5.423 29 H GLU 24 H GLU 24 -22.813 14.582 -6.715 30 HA GLU 24 HA GLU 24 -20.381 13.095 -6.197 31 HB2 GLU 24 1HB GLU 24 -21.964 12.614 -8.045 32 HB3 GLU 24 2HB GLU 24 -21.547 14.154 -8.803 33 HG2 GLU 24 1HG GLU 24 -19.200 13.382 -9.067 34 HG3 GLU 24 2HG GLU 24 -19.606 11.866 -8.253 35 HA PRO 25 HA PRO 25 -17.807 16.793 -6.133 36 HB2 PRO 25 1HB PRO 25 -15.300 15.699 -6.187 37 HB3 PRO 25 2HB PRO 25 -16.384 15.574 -4.770 38 HG2 PRO 25 1HG PRO 25 -15.966 13.527 -6.975 39 HG3 PRO 25 2HG PRO 25 -15.920 13.265 -5.202 40 HD2 PRO 25 1HD PRO 25 -18.155 12.759 -6.660 41 HD3 PRO 25 2HD PRO 25 -18.270 13.456 -5.018 42 H VAL 26 H VAL 26 -16.598 18.106 -7.535 43 HA VAL 26 HA VAL 26 -17.145 17.760 -10.281 44 HB VAL 26 HB VAL 26 -16.937 19.898 -8.977 45 HG11 VAL 26 1HG1 VAL 26 -14.687 19.516 -7.983 46 HG12 VAL 26 2HG1 VAL 26 -13.958 19.699 -9.593 47 HG13 VAL 26 3HG1 VAL 26 -14.810 21.060 -8.842 48 HG21 VAL 26 3HG2 VAL 26 -16.364 21.277 -10.851 49 HG22 VAL 26 1HG2 VAL 26 -15.468 19.970 -11.637 50 HG23 VAL 26 2HG2 VAL 26 -17.233 19.852 -11.445 51 H VAL 27 H VAL 27 -14.593 16.384 -8.615 52 HA VAL 27 HA VAL 27 -13.385 15.279 -10.968 53 HB VAL 27 HB VAL 27 -12.186 17.422 -11.001 54 HG11 VAL 27 1HG1 VAL 27 -12.197 17.961 -8.564 55 HG12 VAL 27 2HG1 VAL 27 -10.979 16.691 -8.305 56 HG13 VAL 27 3HG1 VAL 27 -10.596 18.099 -9.306 57 HG21 VAL 27 3HG2 VAL 27 -9.933 16.564 -11.200 58 HG22 VAL 27 1HG2 VAL 27 -10.325 15.150 -10.206 59 HG23 VAL 27 2HG2 VAL 27 -11.078 15.355 -11.804 60 H GLY 28 H GLY 28 -12.524 13.334 -10.532 61 HA2 GLY 28 1HA GLY 28 -13.011 12.195 -7.883 62 HA3 GLY 28 2HA GLY 28 -12.578 11.333 -9.378 63 H SER 29 H SER 29 -10.536 13.943 -8.278 64 HA SER 29 HA SER 29 -8.471 12.144 -7.134 65 HB2 SER 29 1HB SER 29 -8.129 13.763 -9.691 66 HB3 SER 29 2HB SER 29 -6.794 13.052 -8.772 67 HG SER 29 HG SER 29 -7.497 11.715 -10.527 68 H ARG 30 H ARG 30 -6.490 13.493 -6.490 69 HA ARG 30 HA ARG 30 -6.820 16.317 -6.227 70 HB2 ARG 30 1HB ARG 30 -8.251 15.196 -4.294 71 HB3 ARG 30 2HB ARG 30 -6.702 14.927 -3.535 72 HG2 ARG 30 1HG ARG 30 -7.815 16.963 -2.722 73 HG3 ARG 30 2HG ARG 30 -6.262 17.340 -3.466 74 HD2 ARG 30 1HD ARG 30 -8.130 18.948 -4.008 75 HD3 ARG 30 2HD ARG 30 -7.300 18.283 -5.403 76 HE ARG 30 HE ARG 30 -9.148 16.755 -5.799 77 HH11 ARG 30 1HH1 ARG 30 -9.997 19.409 -3.605 78 HH12 ARG 30 2HH1 ARG 30 -11.697 19.204 -3.898 79 HH21 ARG 30 1HH2 ARG 30 -11.287 16.533 -6.101 80 HH22 ARG 30 2HH2 ARG 30 -12.425 17.604 -5.326 81 H ASP 31 H ASP 31 -5.100 13.575 -5.073 82 HA ASP 31 HA ASP 31 -2.567 14.338 -6.101 83 HB2 ASP 31 1HB ASP 31 -2.973 15.663 -3.695 84 HB3 ASP 31 2HB ASP 31 -2.217 14.178 -3.145 85 H THR 32 H THR 32 -0.791 12.785 -5.283 86 HA THR 32 HA THR 32 -1.684 10.044 -5.476 87 HB THR 32 HB THR 32 0.675 9.474 -5.022 88 HG1 THR 32 1HG THR 32 2.124 11.224 -4.715 89 HG21 THR 32 3HG2 THR 32 1.635 10.556 -6.994 90 HG22 THR 32 1HG2 THR 32 -0.056 10.130 -7.311 91 HG23 THR 32 2HG2 THR 32 0.381 11.819 -6.958 92 H MET 33 H MET 33 -1.060 12.129 -2.748 93 HA MET 33 HA MET 33 -0.930 10.267 -0.623 94 HB2 MET 33 1HB MET 33 -2.226 13.025 -0.766 95 HB3 MET 33 2HB MET 33 -1.931 12.136 0.734 96 HG2 MET 33 1HG MET 33 0.464 12.141 0.349 97 HG3 MET 33 2HG MET 33 0.265 12.865 -1.242 98 HE1 MET 33 3HE MET 33 -0.229 15.059 2.795 99 HE2 MET 33 1HE MET 33 -1.279 13.702 2.343 100 HE3 MET 33 2HE MET 33 0.464 13.439 2.578 101 H PHE 34 H PHE 34 -3.634 10.909 -2.697 102 HA PHE 34 HA PHE 34 -5.472 9.473 -0.827 103 HB2 PHE 34 1HB PHE 34 -6.326 11.342 -3.047 104 HB3 PHE 34 2HB PHE 34 -7.259 10.670 -1.721 105 HD1 PHE 34 2HD PHE 34 -4.702 13.224 -2.564 106 HD2 PHE 34 1HD PHE 34 -7.328 11.626 0.456 107 HE1 PHE 34 2HE PHE 34 -4.317 15.242 -1.170 108 HE2 PHE 34 1HE PHE 34 -6.935 13.645 1.858 109 HZ PHE 34 HZ PHE 34 -5.431 15.453 1.045 110 H THR 35 H THR 35 -3.655 8.734 -3.483 111 HA THR 35 HA THR 35 -5.631 6.694 -4.436 112 HB THR 35 HB THR 35 -4.791 7.024 -6.743 113 HG1 THR 35 1HG THR 35 -3.719 8.986 -7.166 114 HG21 THR 35 3HG2 THR 35 -6.154 8.965 -7.257 115 HG22 THR 35 1HG2 THR 35 -6.936 8.034 -5.972 116 HG23 THR 35 2HG2 THR 35 -6.073 9.536 -5.576 117 H LYS 36 H LYS 36 -2.300 7.421 -3.669 118 HA LYS 36 HA LYS 36 -1.374 4.751 -4.491 119 HB2 LYS 36 1HB LYS 36 0.049 6.792 -4.715 120 HB3 LYS 36 2HB LYS 36 0.021 6.980 -2.954 121 HG2 LYS 36 1HG LYS 36 1.108 4.741 -2.714 122 HG3 LYS 36 2HG LYS 36 1.162 4.592 -4.480 123 HD2 LYS 36 1HD LYS 36 2.623 6.560 -4.635 124 HD3 LYS 36 2HD LYS 36 2.478 6.842 -2.883 125 HE2 LYS 36 1HE LYS 36 3.521 4.639 -2.432 126 HE3 LYS 36 2HE LYS 36 3.660 4.334 -4.167 127 HZ1 LYS 36 3HZ LYS 36 5.716 5.156 -3.188 128 HZ2 LYS 36 1HZ LYS 36 5.177 6.189 -4.332 129 HZ3 LYS 36 2HZ LYS 36 5.006 6.564 -2.740 130 H ILE 37 H ILE 37 -1.331 3.033 -3.221 131 HA ILE 37 HA ILE 37 -2.096 3.209 -0.327 132 HB ILE 37 HB ILE 37 -2.983 1.111 -2.343 133 HG12 ILE 37 1HG1 ILE 37 -4.553 3.535 -1.376 134 HG13 ILE 37 2HG1 ILE 37 -3.985 3.249 -3.024 135 HG21 ILE 37 1HG2 ILE 37 -2.901 0.503 0.122 136 HG22 ILE 37 2HG2 ILE 37 -4.131 1.756 0.396 137 HG23 ILE 37 3HG2 ILE 37 -4.478 0.351 -0.630 138 HD11 ILE 37 3HD1 ILE 37 -6.299 2.730 -2.956 139 HD12 ILE 37 1HD1 ILE 37 -5.413 1.206 -3.152 140 HD13 ILE 37 2HD1 ILE 37 -6.104 1.654 -1.569 141 H PHE 38 H PHE 38 -0.657 2.333 0.956 142 HA PHE 38 HA PHE 38 1.364 0.353 0.058 143 HB2 PHE 38 1HB PHE 38 2.242 2.070 1.496 144 HB3 PHE 38 2HB PHE 38 0.869 1.972 2.579 145 HD1 PHE 38 2HD PHE 38 4.113 0.322 1.646 146 HD2 PHE 38 1HD PHE 38 0.667 0.299 4.256 147 HE1 PHE 38 2HE PHE 38 5.261 -1.209 3.202 148 HE2 PHE 38 1HE PHE 38 1.805 -1.347 5.742 149 HZ PHE 38 HZ PHE 38 4.121 -2.120 5.174 150 H VAL 39 H VAL 39 1.162 -1.797 0.575 151 HA VAL 39 HA VAL 39 -1.094 -2.660 2.341 152 HB VAL 39 HB VAL 39 -0.521 -3.932 -0.364 153 HG11 VAL 39 1HG1 VAL 39 -1.287 -5.622 1.130 154 HG12 VAL 39 2HG1 VAL 39 -2.406 -4.537 1.951 155 HG13 VAL 39 3HG1 VAL 39 -2.765 -5.098 0.310 156 HG21 VAL 39 3HG2 VAL 39 -2.720 -3.111 -1.045 157 HG22 VAL 39 1HG2 VAL 39 -2.862 -2.182 0.470 158 HG23 VAL 39 2HG2 VAL 39 -1.616 -1.779 -0.732 159 H GLY 40 H GLY 40 0.250 -3.210 3.992 160 HA2 GLY 40 1HA GLY 40 2.351 -5.291 3.452 161 HA3 GLY 40 2HA GLY 40 2.380 -4.235 4.843 162 H GLY 41 H GLY 41 2.749 -6.506 5.688 163 HA2 GLY 41 1HA GLY 41 2.019 -8.306 6.930 164 HA3 GLY 41 2HA GLY 41 0.381 -7.606 6.931 165 H LEU 42 H LEU 42 1.930 -8.255 3.884 166 HA LEU 42 HA LEU 42 -0.066 -10.264 3.129 167 HB2 LEU 42 1HB LEU 42 2.394 -9.138 1.708 168 HB3 LEU 42 2HB LEU 42 1.250 -10.251 0.974 169 HG LEU 42 HG LEU 42 0.557 -7.442 1.945 170 HD11 LEU 42 1HD1 LEU 42 2.065 -7.454 -0.017 171 HD12 LEU 42 2HD1 LEU 42 0.944 -8.520 -0.882 172 HD13 LEU 42 3HD1 LEU 42 0.448 -6.871 -0.441 173 HD21 LEU 42 3HD2 LEU 42 -1.557 -7.853 0.612 174 HD22 LEU 42 1HD2 LEU 42 -1.079 -9.554 0.468 175 HD23 LEU 42 2HD2 LEU 42 -1.422 -8.848 2.064 176 HA PRO 43 HA PRO 43 2.661 -13.715 4.154 177 HB2 PRO 43 1HB PRO 43 1.570 -15.710 2.657 178 HB3 PRO 43 2HB PRO 43 0.826 -15.099 4.162 179 HG2 PRO 43 1HG PRO 43 0.110 -14.410 1.313 180 HG3 PRO 43 2HG PRO 43 -0.983 -14.742 2.691 181 HD2 PRO 43 1HD PRO 43 -0.325 -12.194 1.844 182 HD3 PRO 43 2HD PRO 43 -0.737 -12.581 3.529 183 H TYR 44 H TYR 44 4.525 -14.578 3.191 184 HA TYR 44 HA TYR 44 5.619 -13.042 1.114 185 HB2 TYR 44 1HB TYR 44 6.537 -15.712 2.227 186 HB3 TYR 44 2HB TYR 44 7.537 -14.647 1.262 187 HD1 TYR 44 1HD TYR 44 6.597 -11.967 2.697 188 HD2 TYR 44 2HD TYR 44 8.039 -15.794 4.077 189 HE1 TYR 44 1HE TYR 44 7.520 -10.891 4.731 190 HE2 TYR 44 2HE TYR 44 8.969 -14.712 6.106 191 HH TYR 44 HH TYR 44 9.277 -12.737 7.250 192 H HIS 45 H HIS 45 3.594 -15.709 0.588 193 HA HIS 45 HA HIS 45 4.665 -16.293 -2.114 194 HB2 HIS 45 1HB HIS 45 2.969 -18.081 -2.125 195 HB3 HIS 45 2HB HIS 45 4.099 -18.183 -0.785 196 HD2 HIS 45 2HD HIS 45 2.805 -19.223 1.165 197 HE1 HIS 45 1HE HIS 45 -0.780 -16.943 1.005 198 HE2 HIS 45 2HE HIS 45 0.474 -18.746 2.286 199 H THR 46 H THR 46 2.784 -13.852 -0.984 200 HA THR 46 HA THR 46 0.716 -13.669 -3.035 201 HB THR 46 HB THR 46 1.943 -11.400 -1.410 202 HG1 THR 46 1HG THR 46 1.201 -12.880 0.019 203 HG21 THR 46 3HG2 THR 46 -0.267 -10.359 -1.671 204 HG22 THR 46 1HG2 THR 46 0.411 -10.684 -3.270 205 HG23 THR 46 2HG2 THR 46 -0.849 -11.746 -2.597 206 H SER 47 H SER 47 0.860 -12.828 -5.070 207 HA SER 47 HA SER 47 3.441 -11.570 -5.945 208 HB2 SER 47 1HB SER 47 1.366 -13.131 -7.523 209 HB3 SER 47 2HB SER 47 2.765 -12.301 -8.220 210 HG SER 47 HG SER 47 3.153 -14.557 -7.834 211 H ASP 48 H ASP 48 3.147 -10.047 -7.841 212 HA ASP 48 HA ASP 48 1.604 -7.773 -7.194 213 HB2 ASP 48 1HB ASP 48 2.251 -6.962 -9.367 214 HB3 ASP 48 2HB ASP 48 3.617 -7.795 -8.637 215 H LYS 49 H LYS 49 0.815 -10.533 -9.275 216 HA LYS 49 HA LYS 49 -1.726 -9.438 -10.202 217 HB2 LYS 49 1HB LYS 49 -0.383 -12.158 -10.361 218 HB3 LYS 49 2HB LYS 49 -2.000 -11.858 -11.023 219 HG2 LYS 49 1HG LYS 49 -1.247 -10.277 -12.594 220 HG3 LYS 49 2HG LYS 49 0.274 -10.005 -11.750 221 HD2 LYS 49 1HD LYS 49 0.904 -12.436 -12.325 222 HD3 LYS 49 2HD LYS 49 -0.495 -12.420 -13.408 223 HE2 LYS 49 1HE LYS 49 1.419 -11.854 -14.737 224 HE3 LYS 49 2HE LYS 49 0.486 -10.370 -14.532 225 HZ1 LYS 49 3HZ LYS 49 2.860 -10.000 -14.172 226 HZ2 LYS 49 1HZ LYS 49 2.073 -9.711 -12.770 227 HZ3 LYS 49 2HZ LYS 49 2.907 -11.099 -12.965 228 H THR 50 H THR 50 -0.807 -11.734 -7.599 229 HA THR 50 HA THR 50 -3.400 -12.464 -6.702 230 HB THR 50 HB THR 50 -1.075 -11.865 -4.847 231 HG1 THR 50 1HG THR 50 -1.408 -14.203 -6.414 232 HG21 THR 50 3HG2 THR 50 -1.894 -13.886 -3.657 233 HG22 THR 50 1HG2 THR 50 -3.139 -12.633 -3.750 234 HG23 THR 50 2HG2 THR 50 -3.218 -14.039 -4.833 235 H LEU 51 H LEU 51 -1.372 -9.638 -5.855 236 HA LEU 51 HA LEU 51 -3.383 -8.517 -4.121 237 HB2 LEU 51 1HB LEU 51 -0.885 -8.178 -3.921 238 HB3 LEU 51 2HB LEU 51 -0.924 -7.250 -5.418 239 HG LEU 51 HG LEU 51 -2.448 -5.578 -4.290 240 HD11 LEU 51 1HD1 LEU 51 -3.420 -6.992 -2.528 241 HD12 LEU 51 2HD1 LEU 51 -1.814 -7.199 -1.786 242 HD13 LEU 51 3HD1 LEU 51 -2.588 -5.599 -1.839 243 HD21 LEU 51 3HD2 LEU 51 -0.638 -4.591 -2.884 244 HD22 LEU 51 1HD2 LEU 51 0.251 -6.120 -2.976 245 HD23 LEU 51 2HD2 LEU 51 -0.051 -5.170 -4.452 246 H HIS 52 H HIS 52 -2.532 -7.851 -7.538 247 HA HIS 52 HA HIS 52 -4.341 -5.666 -7.904 248 HB2 HIS 52 1HB HIS 52 -2.596 -6.319 -9.533 249 HB3 HIS 52 2HB HIS 52 -3.420 -7.841 -9.830 250 HD2 HIS 52 2HD HIS 52 -3.623 -4.109 -10.724 251 HE1 HIS 52 1HE HIS 52 -6.640 -6.084 -12.984 252 HE2 HIS 52 2HE HIS 52 -5.380 -3.893 -12.663 253 H GLU 53 H GLU 53 -4.813 -9.181 -8.017 254 HA GLU 53 HA GLU 53 -7.488 -9.117 -9.110 255 HB2 GLU 53 1HB GLU 53 -5.768 -11.229 -7.786 256 HB3 GLU 53 2HB GLU 53 -7.456 -11.551 -8.217 257 HG2 GLU 53 1HG GLU 53 -6.993 -10.966 -10.576 258 HG3 GLU 53 2HG GLU 53 -5.302 -10.668 -10.200 259 H TYR 54 H TYR 54 -6.228 -9.205 -5.743 260 HA TYR 54 HA TYR 54 -8.844 -9.494 -4.551 261 HB2 TYR 54 1HB TYR 54 -6.653 -10.019 -3.438 262 HB3 TYR 54 2HB TYR 54 -6.337 -8.288 -3.320 263 HD1 TYR 54 2HD TYR 54 -8.564 -11.063 -2.246 264 HD2 TYR 54 1HD TYR 54 -7.531 -6.916 -1.664 265 HE1 TYR 54 2HE TYR 54 -10.071 -10.972 -0.272 266 HE2 TYR 54 1HE TYR 54 -9.047 -6.817 0.304 267 HH TYR 54 HH TYR 54 -10.987 -9.650 1.368 268 H PHE 55 H PHE 55 -6.989 -6.665 -5.634 269 HA PHE 55 HA PHE 55 -8.711 -4.782 -4.260 270 HB2 PHE 55 1HB PHE 55 -6.254 -4.615 -5.966 271 HB3 PHE 55 2HB PHE 55 -7.264 -3.188 -5.860 272 HD1 PHE 55 2HD PHE 55 -5.863 -5.794 -3.483 273 HD2 PHE 55 1HD PHE 55 -6.799 -1.643 -4.197 274 HE1 PHE 55 2HE PHE 55 -4.992 -5.212 -1.246 275 HE2 PHE 55 1HE PHE 55 -5.910 -1.067 -1.961 276 HZ PHE 55 HZ PHE 55 -5.052 -2.852 -0.463 277 H GLU 56 H GLU 56 -9.244 -6.392 -7.226 278 HA GLU 56 HA GLU 56 -10.472 -4.280 -8.691 279 HB2 GLU 56 1HB GLU 56 -11.154 -7.241 -8.787 280 HB3 GLU 56 2HB GLU 56 -11.589 -6.011 -9.986 281 HG2 GLU 56 1HG GLU 56 -9.102 -5.586 -10.278 282 HG3 GLU 56 2HG GLU 56 -8.837 -7.075 -9.359 283 H GLN 57 H GLN 57 -11.641 -5.899 -5.878 284 HA GLN 57 HA GLN 57 -14.471 -5.366 -6.269 285 HB2 GLN 57 1HB GLN 57 -14.751 -6.126 -4.039 286 HB3 GLN 57 2HB GLN 57 -13.500 -7.138 -4.762 287 HG2 GLN 57 1HG GLN 57 -11.775 -5.609 -3.616 288 HG3 GLN 57 2HG GLN 57 -13.125 -4.851 -2.774 289 HE21 GLN 57 2HE2 GLN 57 -10.911 -7.483 -2.707 290 HE22 GLN 57 1HE2 GLN 57 -11.659 -8.325 -1.354 291 H PHE 58 H PHE 58 -11.801 -3.337 -5.280 292 HA PHE 58 HA PHE 58 -13.516 -1.430 -3.837 293 HB2 PHE 58 1HB PHE 58 -10.558 -1.313 -4.472 294 HB3 PHE 58 2HB PHE 58 -11.433 -0.278 -3.355 295 HD1 PHE 58 2HD PHE 58 -13.028 -1.931 -1.653 296 HD2 PHE 58 1HD PHE 58 -9.140 -2.757 -3.317 297 HE1 PHE 58 2HE PHE 58 -12.559 -3.497 0.212 298 HE2 PHE 58 1HE PHE 58 -8.673 -4.330 -1.455 299 HZ PHE 58 HZ PHE 58 -10.387 -4.704 0.314 300 H GLY 59 H GLY 59 -12.277 -1.820 -7.059 301 HA2 GLY 59 1HA GLY 59 -13.738 -0.322 -8.593 302 HA3 GLY 59 2HA GLY 59 -12.900 1.005 -7.808 303 H ASP 60 H ASP 60 -11.733 1.778 -9.502 304 HA ASP 60 HA ASP 60 -10.536 -0.049 -11.478 305 HB2 ASP 60 1HB ASP 60 -10.805 2.977 -11.370 306 HB3 ASP 60 2HB ASP 60 -10.033 2.078 -12.673 307 H ILE 61 H ILE 61 -8.488 -0.659 -11.561 308 HA ILE 61 HA ILE 61 -6.531 0.478 -9.622 309 HB ILE 61 HB ILE 61 -6.363 -2.121 -11.160 310 HG12 ILE 61 1HG1 ILE 61 -7.214 -1.765 -8.248 311 HG13 ILE 61 2HG1 ILE 61 -8.357 -2.034 -9.565 312 HG21 ILE 61 1HG2 ILE 61 -4.184 -1.287 -10.406 313 HG22 ILE 61 2HG2 ILE 61 -4.829 -0.945 -8.786 314 HG23 ILE 61 3HG2 ILE 61 -4.643 -2.610 -9.345 315 HD11 ILE 61 3HD1 ILE 61 -8.000 -4.134 -8.579 316 HD12 ILE 61 1HD1 ILE 61 -7.173 -4.169 -10.129 317 HD13 ILE 61 2HD1 ILE 61 -6.240 -3.976 -8.621 318 H GLU 62 H GLU 62 -4.809 1.594 -10.245 319 HA GLU 62 HA GLU 62 -4.360 2.187 -13.104 320 HB2 GLU 62 1HB GLU 62 -4.624 3.919 -11.187 321 HB3 GLU 62 2HB GLU 62 -2.995 3.446 -10.702 322 HG2 GLU 62 1HG GLU 62 -2.151 4.079 -12.931 323 HG3 GLU 62 2HG GLU 62 -3.805 4.497 -13.435 324 H GLU 63 H GLU 63 -2.705 0.773 -10.271 325 HA GLU 63 HA GLU 63 -0.863 -0.792 -11.844 326 HB2 GLU 63 1HB GLU 63 0.245 1.471 -11.913 327 HB3 GLU 63 2HB GLU 63 0.289 1.480 -10.150 328 HG2 GLU 63 1HG GLU 63 1.816 -0.424 -10.134 329 HG3 GLU 63 2HG GLU 63 1.605 -0.664 -11.873 330 H ALA 64 H ALA 64 0.213 -2.378 -10.466 331 HA ALA 64 HA ALA 64 -0.149 -2.276 -7.569 332 HB1 ALA 64 1HB ALA 64 -2.320 -3.200 -8.284 333 HB2 ALA 64 2HB ALA 64 -1.481 -4.429 -9.253 334 HB3 ALA 64 3HB ALA 64 -1.357 -4.456 -7.480 335 H VAL 65 H VAL 65 1.376 -3.443 -6.498 336 HA VAL 65 HA VAL 65 3.148 -5.384 -7.867 337 HB VAL 65 HB VAL 65 5.190 -4.179 -7.194 338 HG11 VAL 65 1HG1 VAL 65 4.363 -3.970 -9.523 339 HG12 VAL 65 2HG1 VAL 65 3.554 -2.445 -9.076 340 HG13 VAL 65 3HG1 VAL 65 5.317 -2.580 -8.983 341 HG21 VAL 65 3HG2 VAL 65 5.172 -1.788 -6.634 342 HG22 VAL 65 1HG2 VAL 65 3.400 -1.784 -6.594 343 HG23 VAL 65 2HG2 VAL 65 4.328 -2.726 -5.403 344 H VAL 66 H VAL 66 4.623 -6.465 -6.410 345 HA VAL 66 HA VAL 66 4.163 -6.087 -3.490 346 HB VAL 66 HB VAL 66 4.340 -8.780 -4.895 347 HG11 VAL 66 1HG1 VAL 66 5.687 -8.882 -2.831 348 HG12 VAL 66 2HG1 VAL 66 4.376 -8.109 -1.909 349 HG13 VAL 66 3HG1 VAL 66 4.165 -9.736 -2.576 350 HG21 VAL 66 3HG2 VAL 66 2.157 -9.186 -3.789 351 HG22 VAL 66 1HG2 VAL 66 2.181 -7.545 -3.117 352 HG23 VAL 66 2HG2 VAL 66 2.056 -7.793 -4.870 353 H ILE 67 H ILE 67 6.031 -5.991 -2.313 354 HA ILE 67 HA ILE 67 8.403 -5.351 -3.897 355 HB ILE 67 HB ILE 67 7.929 -5.327 -0.903 356 HG12 ILE 67 1HG1 ILE 67 6.437 -3.713 -1.844 357 HG13 ILE 67 2HG1 ILE 67 7.801 -2.896 -1.112 358 HG21 ILE 67 1HG2 ILE 67 10.342 -5.432 -1.440 359 HG22 ILE 67 2HG2 ILE 67 10.180 -4.017 -2.488 360 HG23 ILE 67 3HG2 ILE 67 9.878 -3.881 -0.738 361 HD11 ILE 67 3HD1 ILE 67 7.259 -1.706 -3.047 362 HD12 ILE 67 1HD1 ILE 67 8.792 -2.531 -3.388 363 HD13 ILE 67 2HD1 ILE 67 7.274 -3.168 -4.072 364 H THR 68 H THR 68 9.743 -6.798 -4.599 365 HA THR 68 HA THR 68 10.765 -8.952 -2.823 366 HB THR 68 HB THR 68 11.266 -10.224 -4.939 367 HG1 THR 68 1HG THR 68 9.986 -9.656 -6.749 368 HG21 THR 68 3HG2 THR 68 8.999 -11.141 -5.184 369 HG22 THR 68 1HG2 THR 68 9.377 -10.855 -3.482 370 HG23 THR 68 2HG2 THR 68 8.311 -9.729 -4.352 371 H ASP 69 H ASP 69 12.899 -9.004 -2.572 372 HA ASP 69 HA ASP 69 14.293 -6.682 -2.865 373 HB2 ASP 69 1HB ASP 69 14.749 -8.453 -1.264 374 HB3 ASP 69 2HB ASP 69 15.410 -9.464 -2.546 375 H ARG 70 H ARG 70 15.707 -5.685 -4.185 376 HA ARG 70 HA ARG 70 15.753 -6.196 -6.905 377 HB2 ARG 70 1HB ARG 70 17.472 -4.489 -5.118 378 HB3 ARG 70 2HB ARG 70 17.909 -4.678 -6.816 379 HG2 ARG 70 1HG ARG 70 15.617 -3.957 -7.505 380 HG3 ARG 70 2HG ARG 70 15.223 -3.682 -5.803 381 HD2 ARG 70 1HD ARG 70 15.841 -1.562 -6.767 382 HD3 ARG 70 2HD ARG 70 17.139 -2.075 -5.675 383 HE ARG 70 HE ARG 70 17.396 -2.688 -8.568 384 HH11 ARG 70 1HH1 ARG 70 18.498 -0.629 -5.895 385 HH12 ARG 70 2HH1 ARG 70 19.892 -0.086 -6.782 386 HH21 ARG 70 1HH2 ARG 70 19.217 -1.949 -9.634 387 HH22 ARG 70 2HH2 ARG 70 20.288 -0.819 -8.864 388 H ASN 71 H ASN 71 17.881 -7.713 -4.565 389 HA ASN 71 HA ASN 71 19.625 -8.799 -6.752 390 HB2 ASN 71 1HB ASN 71 20.347 -7.902 -3.937 391 HB3 ASN 71 2HB ASN 71 21.441 -8.745 -5.032 392 HD21 ASN 71 2HD2 ASN 71 22.372 -7.609 -6.819 393 HD22 ASN 71 1HD2 ASN 71 22.186 -5.874 -6.986 394 H THR 72 H THR 72 17.672 -9.657 -3.995 395 HA THR 72 HA THR 72 18.439 -12.548 -4.355 396 HB THR 72 HB THR 72 17.647 -12.851 -1.971 397 HG1 THR 72 1HG THR 72 17.885 -10.028 -1.924 398 HG21 THR 72 3HG2 THR 72 19.684 -11.988 -0.934 399 HG22 THR 72 1HG2 THR 72 20.077 -12.678 -2.521 400 HG23 THR 72 2HG2 THR 72 19.987 -10.912 -2.315 401 H GLN 73 H GLN 73 15.833 -10.366 -4.676 402 HA GLN 73 HA GLN 73 13.627 -10.563 -5.042 403 HB2 GLN 73 1HB GLN 73 14.525 -13.260 -6.118 404 HB3 GLN 73 2HB GLN 73 12.882 -12.666 -6.295 405 HG2 GLN 73 1HG GLN 73 15.279 -11.052 -7.258 406 HG3 GLN 73 2HG GLN 73 14.459 -12.250 -8.251 407 HE21 GLN 73 2HE2 GLN 73 14.082 -9.012 -6.762 408 HE22 GLN 73 1HE2 GLN 73 12.569 -8.668 -7.585 409 H LYS 74 H LYS 74 14.741 -11.626 -2.358 410 HA LYS 74 HA LYS 74 12.657 -13.349 -1.373 411 HB2 LYS 74 1HB LYS 74 13.649 -12.931 0.805 412 HB3 LYS 74 2HB LYS 74 14.862 -13.266 -0.402 413 HG2 LYS 74 1HG LYS 74 15.882 -11.581 0.713 414 HG3 LYS 74 2HG LYS 74 15.105 -10.677 -0.581 415 HD2 LYS 74 1HD LYS 74 13.242 -10.104 1.025 416 HD3 LYS 74 2HD LYS 74 14.149 -10.901 2.304 417 HE2 LYS 74 1HE LYS 74 15.203 -8.578 0.607 418 HE3 LYS 74 2HE LYS 74 14.380 -8.364 2.139 419 HZ1 LYS 74 3HZ LYS 74 16.788 -8.367 2.406 420 HZ2 LYS 74 1HZ LYS 74 16.168 -9.662 3.192 421 HZ3 LYS 74 2HZ LYS 74 16.922 -9.854 1.749 422 H SER 75 H SER 75 10.721 -12.870 -0.390 423 HA SER 75 HA SER 75 9.475 -10.362 -1.126 424 HB2 SER 75 1HB SER 75 8.426 -12.635 0.588 425 HB3 SER 75 2HB SER 75 7.464 -11.348 -0.166 426 HG SER 75 HG SER 75 7.498 -13.326 -1.403 427 H ARG 76 H ARG 76 9.070 -8.578 0.037 428 HA ARG 76 HA ARG 76 10.248 -8.290 2.702 429 HB2 ARG 76 1HB ARG 76 9.195 -6.533 0.519 430 HB3 ARG 76 2HB ARG 76 9.191 -5.856 2.131 431 HG2 ARG 76 1HG ARG 76 11.712 -7.204 1.139 432 HG3 ARG 76 2HG ARG 76 11.315 -5.571 0.587 433 HD2 ARG 76 1HD ARG 76 11.197 -4.701 2.790 434 HD3 ARG 76 2HD ARG 76 11.372 -6.317 3.524 435 HE ARG 76 HE ARG 76 13.605 -5.779 1.810 436 HH11 ARG 76 1HH1 ARG 76 12.373 -4.686 4.945 437 HH12 ARG 76 2HH1 ARG 76 13.959 -4.221 5.493 438 HH21 ARG 76 1HH2 ARG 76 15.542 -5.146 2.513 439 HH22 ARG 76 2HH2 ARG 76 15.770 -4.492 4.119 440 H GLY 77 H GLY 77 7.200 -9.346 1.825 441 HA2 GLY 77 1HA GLY 77 5.374 -9.827 3.212 442 HA3 GLY 77 2HA GLY 77 6.072 -8.812 4.498 443 H TYR 78 H TYR 78 6.049 -6.993 1.676 444 HA TYR 78 HA TYR 78 3.252 -6.158 1.808 445 HB2 TYR 78 1HB TYR 78 3.704 -3.882 2.312 446 HB3 TYR 78 2HB TYR 78 4.549 -4.821 3.529 447 HD1 TYR 78 1HD TYR 78 7.022 -4.974 3.494 448 HD2 TYR 78 2HD TYR 78 4.838 -2.456 0.767 449 HE1 TYR 78 1HE TYR 78 9.096 -3.666 3.023 450 HE2 TYR 78 2HE TYR 78 6.890 -1.114 0.368 451 HH TYR 78 HH TYR 78 9.154 -0.865 0.830 452 H GLY 79 H GLY 79 2.647 -4.597 0.263 453 HA2 GLY 79 1HA GLY 79 4.268 -4.272 -2.209 454 HA3 GLY 79 2HA GLY 79 2.645 -4.967 -2.297 455 H PHE 80 H PHE 80 2.618 -3.052 -3.750 456 HA PHE 80 HA PHE 80 1.273 -0.812 -2.369 457 HB2 PHE 80 1HB PHE 80 3.649 -0.618 -4.216 458 HB3 PHE 80 2HB PHE 80 2.387 0.586 -4.360 459 HD1 PHE 80 1HD PHE 80 1.847 2.143 -2.585 460 HD2 PHE 80 2HD PHE 80 5.106 -0.666 -2.161 461 HE1 PHE 80 1HE PHE 80 2.727 3.455 -0.671 462 HE2 PHE 80 2HE PHE 80 5.976 0.681 -0.265 463 HZ PHE 80 HZ PHE 80 4.804 2.725 0.482 464 H VAL 81 H VAL 81 -0.394 0.072 -3.438 465 HA VAL 81 HA VAL 81 -1.081 -0.869 -6.189 466 HB VAL 81 HB VAL 81 -3.126 -0.675 -3.934 467 HG11 VAL 81 1HG1 VAL 81 -4.096 -0.157 -6.130 468 HG12 VAL 81 2HG1 VAL 81 -3.364 -1.619 -6.827 469 HG13 VAL 81 3HG1 VAL 81 -4.645 -1.750 -5.613 470 HG21 VAL 81 3HG2 VAL 81 -3.361 -3.148 -4.169 471 HG22 VAL 81 1HG2 VAL 81 -1.945 -3.164 -5.242 472 HG23 VAL 81 2HG2 VAL 81 -1.787 -2.671 -3.538 473 H THR 82 H THR 82 -1.960 0.737 -7.465 474 HA THR 82 HA THR 82 -2.577 3.389 -6.211 475 HB THR 82 HB THR 82 -1.230 2.932 -8.900 476 HG1 THR 82 1HG THR 82 0.173 2.694 -7.145 477 HG21 THR 82 3HG2 THR 82 -1.013 5.404 -8.906 478 HG22 THR 82 1HG2 THR 82 -2.706 4.919 -8.952 479 HG23 THR 82 2HG2 THR 82 -1.999 5.501 -7.427 480 H MET 83 H MET 83 -4.547 4.119 -6.680 481 HA MET 83 HA MET 83 -6.248 2.517 -8.556 482 HB2 MET 83 1HB MET 83 -7.121 4.381 -6.337 483 HB3 MET 83 2HB MET 83 -8.137 3.304 -7.281 484 HG2 MET 83 1HG MET 83 -5.943 2.459 -5.352 485 HG3 MET 83 2HG MET 83 -7.666 2.402 -5.036 486 HE1 MET 83 3HE MET 83 -9.005 -0.522 -7.089 487 HE2 MET 83 1HE MET 83 -9.298 0.681 -5.810 488 HE3 MET 83 2HE MET 83 -9.045 1.208 -7.491 489 H LYS 84 H LYS 84 -7.538 3.495 -10.102 490 HA LYS 84 HA LYS 84 -6.393 5.810 -11.380 491 HB2 LYS 84 1HB LYS 84 -8.972 4.280 -11.903 492 HB3 LYS 84 2HB LYS 84 -8.323 5.530 -12.955 493 HG2 LYS 84 1HG LYS 84 -6.160 4.114 -13.059 494 HG3 LYS 84 2HG LYS 84 -7.107 2.833 -12.293 495 HD2 LYS 84 1HD LYS 84 -7.122 2.378 -14.616 496 HD3 LYS 84 2HD LYS 84 -8.734 3.010 -14.248 497 HE2 LYS 84 1HE LYS 84 -8.029 5.260 -15.066 498 HE3 LYS 84 2HE LYS 84 -6.414 4.625 -15.406 499 HZ1 LYS 84 3HZ LYS 84 -7.792 4.659 -17.398 500 HZ2 LYS 84 1HZ LYS 84 -7.423 3.112 -17.025 501 HZ3 LYS 84 2HZ LYS 84 -8.917 3.698 -16.708 502 H ASP 85 H ASP 85 -8.801 5.598 -8.941 503 HA ASP 85 HA ASP 85 -9.311 8.511 -9.024 504 HB2 ASP 85 1HB ASP 85 -11.504 6.395 -9.053 505 HB3 ASP 85 2HB ASP 85 -11.760 8.078 -8.629 506 H ARG 86 H ARG 86 -9.750 9.382 -7.080 507 HA ARG 86 HA ARG 86 -8.910 8.177 -4.642 508 HB2 ARG 86 1HB ARG 86 -8.917 10.595 -5.185 509 HB3 ARG 86 2HB ARG 86 -10.686 10.608 -5.135 510 HG2 ARG 86 1HG ARG 86 -10.636 10.057 -2.727 511 HG3 ARG 86 2HG ARG 86 -8.909 9.818 -2.801 512 HD2 ARG 86 1HD ARG 86 -9.371 11.958 -1.790 513 HD3 ARG 86 2HD ARG 86 -8.615 12.242 -3.367 514 HE ARG 86 HE ARG 86 -11.367 12.297 -3.842 515 HH11 ARG 86 1HH1 ARG 86 -9.219 14.172 -1.742 516 HH12 ARG 86 2HH1 ARG 86 -10.233 15.580 -1.818 517 HH21 ARG 86 1HH2 ARG 86 -12.612 14.154 -3.910 518 HH22 ARG 86 2HH2 ARG 86 -12.126 15.563 -3.021 519 H ALA 87 H ALA 87 -12.116 8.423 -6.139 520 HA ALA 87 HA ALA 87 -13.630 7.402 -3.924 521 HB1 ALA 87 1HB ALA 87 -14.598 8.719 -5.781 522 HB2 ALA 87 2HB ALA 87 -14.229 7.402 -6.921 523 HB3 ALA 87 3HB ALA 87 -15.409 7.152 -5.619 524 H SER 88 H SER 88 -11.570 5.726 -6.212 525 HA SER 88 HA SER 88 -12.691 3.063 -5.452 526 HB2 SER 88 1HB SER 88 -10.329 3.802 -7.213 527 HB3 SER 88 2HB SER 88 -10.951 2.172 -6.916 528 HG SER 88 HG SER 88 -12.457 4.295 -8.102 529 H ALA 89 H ALA 89 -9.869 5.169 -4.773 530 HA ALA 89 HA ALA 89 -8.470 3.221 -3.170 531 HB1 ALA 89 1HB ALA 89 -7.364 5.151 -4.259 532 HB2 ALA 89 2HB ALA 89 -8.299 6.265 -3.239 533 HB3 ALA 89 3HB ALA 89 -7.103 5.178 -2.508 534 H GLU 90 H GLU 90 -10.854 5.766 -2.289 535 HA GLU 90 HA GLU 90 -10.526 5.487 0.500 536 HB2 GLU 90 1HB GLU 90 -12.559 6.608 0.797 537 HB3 GLU 90 2HB GLU 90 -11.731 7.328 -0.594 538 HG2 GLU 90 1HG GLU 90 -13.230 6.177 -2.118 539 HG3 GLU 90 2HG GLU 90 -14.034 5.370 -0.773 540 H ARG 91 H ARG 91 -12.618 3.674 -1.706 541 HA ARG 91 HA ARG 91 -13.922 2.042 0.217 542 HB2 ARG 91 1HB ARG 91 -13.314 1.528 -2.710 543 HB3 ARG 91 2HB ARG 91 -14.324 0.482 -1.695 544 HG2 ARG 91 1HG ARG 91 -15.776 2.470 -1.146 545 HG3 ARG 91 2HG ARG 91 -14.822 3.435 -2.277 546 HD2 ARG 91 1HD ARG 91 -16.796 2.755 -3.389 547 HD3 ARG 91 2HD ARG 91 -15.456 1.859 -4.110 548 HE ARG 91 HE ARG 91 -17.407 0.768 -2.088 549 HH11 ARG 91 1HH1 ARG 91 -15.402 0.137 -4.939 550 HH12 ARG 91 2HH1 ARG 91 -15.790 -1.569 -4.916 551 HH21 ARG 91 1HH2 ARG 91 -17.904 -1.425 -2.200 552 HH22 ARG 91 2HH2 ARG 91 -17.218 -2.398 -3.470 553 H ALA 92 H ALA 92 -10.680 1.728 -1.146 554 HA ALA 92 HA ALA 92 -10.235 -0.982 -0.132 555 HB1 ALA 92 1HB ALA 92 -9.062 -0.099 -2.132 556 HB2 ALA 92 2HB ALA 92 -8.288 1.141 -1.130 557 HB3 ALA 92 3HB ALA 92 -7.933 -0.575 -0.850 558 H CYS 93 H CYS 93 -9.197 2.320 0.944 559 HA CYS 93 HA CYS 93 -7.826 1.272 3.249 560 HB2 CYS 93 1HB CYS 93 -7.354 3.525 3.801 561 HB3 CYS 93 2HB CYS 93 -7.349 3.445 2.031 562 HG CYS 93 HG CYS 93 -10.075 4.108 1.994 563 H LYS 94 H LYS 94 -11.191 1.988 2.810 564 HA LYS 94 HA LYS 94 -12.027 2.225 5.536 565 HB2 LYS 94 1HB LYS 94 -13.350 1.446 2.962 566 HB3 LYS 94 2HB LYS 94 -14.212 1.350 4.503 567 HG2 LYS 94 1HG LYS 94 -13.782 3.712 4.994 568 HG3 LYS 94 2HG LYS 94 -12.759 3.869 3.564 569 HD2 LYS 94 1HD LYS 94 -14.819 3.082 2.225 570 HD3 LYS 94 2HD LYS 94 -15.739 3.396 3.716 571 HE2 LYS 94 1HE LYS 94 -14.893 5.767 3.679 572 HE3 LYS 94 2HE LYS 94 -13.976 5.394 2.215 573 HZ1 LYS 94 3HZ LYS 94 -15.931 6.395 1.460 574 HZ2 LYS 94 1HZ LYS 94 -16.209 4.817 1.202 575 HZ3 LYS 94 2HZ LYS 94 -16.914 5.552 2.483 576 H ASP 95 H ASP 95 -10.949 -0.596 3.825 577 HA ASP 95 HA ASP 95 -11.653 -2.338 6.164 578 HB2 ASP 95 1HB ASP 95 -11.609 -2.931 3.199 579 HB3 ASP 95 2HB ASP 95 -11.469 -4.188 4.427 580 HA PRO 96 HA PRO 96 -7.149 -1.623 5.773 581 HB2 PRO 96 1HB PRO 96 -6.459 -1.351 8.402 582 HB3 PRO 96 2HB PRO 96 -7.265 -0.060 7.457 583 HG2 PRO 96 1HG PRO 96 -8.563 -2.099 9.300 584 HG3 PRO 96 2HG PRO 96 -8.791 -0.319 9.287 585 HD2 PRO 96 1HD PRO 96 -10.526 -1.981 8.016 586 HD3 PRO 96 2HD PRO 96 -10.068 -0.405 7.302 587 H ASN 97 H ASN 97 -8.746 -4.188 7.625 588 HA ASN 97 HA ASN 97 -6.275 -5.859 7.364 589 HB2 ASN 97 1HB ASN 97 -8.333 -6.023 9.580 590 HB3 ASN 97 2HB ASN 97 -6.912 -7.023 9.386 591 HD21 ASN 97 2HD2 ASN 97 -4.728 -5.584 9.167 592 HD22 ASN 97 1HD2 ASN 97 -4.635 -4.382 10.442 593 HA PRO 98 HA PRO 98 -9.705 -7.763 4.909 594 HB2 PRO 98 1HB PRO 98 -8.389 -8.115 2.539 595 HB3 PRO 98 2HB PRO 98 -9.104 -6.544 3.035 596 HG2 PRO 98 1HG PRO 98 -6.231 -7.491 3.313 597 HG3 PRO 98 2HG PRO 98 -6.823 -5.949 2.620 598 HD2 PRO 98 1HD PRO 98 -5.964 -6.122 5.190 599 HD3 PRO 98 2HD PRO 98 -7.371 -5.116 4.754 600 H ILE 99 H ILE 99 -6.575 -8.984 5.743 601 HA ILE 99 HA ILE 99 -5.693 -11.071 6.008 602 HB ILE 99 HB ILE 99 -8.417 -12.309 5.771 603 HG12 ILE 99 1HG1 ILE 99 -8.891 -10.479 7.238 604 HG13 ILE 99 2HG1 ILE 99 -8.800 -11.950 8.171 605 HG21 ILE 99 1HG2 ILE 99 -6.516 -13.844 6.038 606 HG22 ILE 99 2HG2 ILE 99 -5.949 -12.950 7.453 607 HG23 ILE 99 3HG2 ILE 99 -7.488 -13.832 7.507 608 HD11 ILE 99 3HD1 ILE 99 -7.757 -10.154 9.408 609 HD12 ILE 99 1HD1 ILE 99 -6.478 -11.281 8.925 610 HD13 ILE 99 2HD1 ILE 99 -6.713 -9.742 8.047 611 H ILE 100 H ILE 100 -5.014 -10.296 3.727 612 HA ILE 100 HA ILE 100 -6.079 -11.706 1.414 613 HB ILE 100 HB ILE 100 -3.625 -9.972 1.824 614 HG12 ILE 100 1HG1 ILE 100 -6.083 -9.498 0.080 615 HG13 ILE 100 2HG1 ILE 100 -6.074 -9.062 1.775 616 HG21 ILE 100 1HG2 ILE 100 -3.025 -11.559 0.045 617 HG22 ILE 100 2HG2 ILE 100 -4.581 -11.280 -0.771 618 HG23 ILE 100 3HG2 ILE 100 -3.363 -9.994 -0.677 619 HD11 ILE 100 3HD1 ILE 100 -5.549 -7.105 0.457 620 HD12 ILE 100 1HD1 ILE 100 -4.117 -7.562 1.397 621 HD13 ILE 100 2HD1 ILE 100 -4.204 -7.930 -0.342 622 H ASP 101 H ASP 101 -5.802 -13.700 0.935 623 HA ASP 101 HA ASP 101 -5.092 -15.788 0.746 624 HB2 ASP 101 1HB ASP 101 -3.224 -14.203 -0.433 625 HB3 ASP 101 2HB ASP 101 -2.193 -15.140 0.628 626 H GLY 102 H GLY 102 -5.243 -14.735 3.522 627 HA2 GLY 102 1HA GLY 102 -5.468 -16.120 5.402 628 HA3 GLY 102 2HA GLY 102 -4.219 -17.215 4.783 629 H ARG 103 H ARG 103 -3.772 -13.691 5.207 630 HA ARG 103 HA ARG 103 -2.519 -14.002 7.848 631 HB2 ARG 103 1HB ARG 103 -0.792 -14.464 5.880 632 HB3 ARG 103 2HB ARG 103 -0.818 -12.722 5.688 633 HG2 ARG 103 1HG ARG 103 0.037 -14.273 8.170 634 HG3 ARG 103 2HG ARG 103 1.085 -13.521 6.972 635 HD2 ARG 103 1HD ARG 103 -0.137 -11.296 7.669 636 HD3 ARG 103 2HD ARG 103 -0.570 -12.187 9.120 637 HE ARG 103 HE ARG 103 2.065 -11.191 8.320 638 HH11 ARG 103 1HH1 ARG 103 0.429 -13.345 10.614 639 HH12 ARG 103 2HH1 ARG 103 1.809 -13.380 11.668 640 HH21 ARG 103 1HH2 ARG 103 3.855 -11.487 9.608 641 HH22 ARG 103 2HH2 ARG 103 3.698 -12.279 11.135 642 H LYS 104 H LYS 104 -2.782 -12.129 9.044 643 HA LYS 104 HA LYS 104 -4.543 -10.141 8.072 644 HB2 LYS 104 1HB LYS 104 -4.366 -10.755 10.432 645 HB3 LYS 104 2HB LYS 104 -2.750 -10.028 10.516 646 HG2 LYS 104 1HG LYS 104 -3.697 -7.800 9.994 647 HG3 LYS 104 2HG LYS 104 -5.282 -8.508 9.699 648 HD2 LYS 104 1HD LYS 104 -5.182 -7.378 11.873 649 HD3 LYS 104 2HD LYS 104 -5.550 -9.092 12.021 650 HE2 LYS 104 1HE LYS 104 -4.020 -8.416 13.771 651 HE3 LYS 104 2HE LYS 104 -3.243 -9.584 12.697 652 HZ1 LYS 104 3HZ LYS 104 -1.786 -7.714 13.269 653 HZ2 LYS 104 1HZ LYS 104 -2.032 -7.754 11.667 654 HZ3 LYS 104 2HZ LYS 104 -2.818 -6.643 12.593 655 H ALA 105 H ALA 105 -4.064 -9.001 6.365 656 HA ALA 105 HA ALA 105 -1.576 -7.565 5.988 657 HB1 ALA 105 1HB ALA 105 -2.842 -8.512 4.105 658 HB2 ALA 105 2HB ALA 105 -4.227 -7.465 4.491 659 HB3 ALA 105 3HB ALA 105 -2.700 -6.757 3.936 660 H ASN 106 H ASN 106 -1.702 -5.219 5.434 661 HA ASN 106 HA ASN 106 -3.424 -3.572 7.226 662 HB2 ASN 106 1HB ASN 106 -1.286 -4.032 8.372 663 HB3 ASN 106 2HB ASN 106 -0.400 -3.408 6.981 664 HD21 ASN 106 2HD2 ASN 106 -0.671 -1.065 6.443 665 HD22 ASN 106 1HD2 ASN 106 -1.074 0.039 7.751 666 H VAL 107 H VAL 107 -4.610 -2.813 5.541 667 HA VAL 107 HA VAL 107 -3.317 -1.617 3.130 668 HB VAL 107 HB VAL 107 -6.240 -2.193 3.767 669 HG11 VAL 107 1HG1 VAL 107 -6.124 -0.240 2.265 670 HG12 VAL 107 2HG1 VAL 107 -4.956 -1.086 1.231 671 HG13 VAL 107 3HG1 VAL 107 -6.634 -1.656 1.345 672 HG21 VAL 107 3HG2 VAL 107 -6.048 -3.900 2.008 673 HG22 VAL 107 1HG2 VAL 107 -4.340 -3.500 1.789 674 HG23 VAL 107 2HG2 VAL 107 -4.888 -4.232 3.311 675 H ASN 108 H ASN 108 -2.914 0.512 3.095 676 HA ASN 108 HA ASN 108 -4.928 2.403 3.942 677 HB2 ASN 108 1HB ASN 108 -3.694 3.638 5.570 678 HB3 ASN 108 2HB ASN 108 -3.835 1.988 6.124 679 HD21 ASN 108 2HD2 ASN 108 -2.035 3.376 7.459 680 HD22 ASN 108 1HD2 ASN 108 -0.393 3.059 6.908 681 H LEU 109 H LEU 109 -4.396 4.653 3.434 682 HA LEU 109 HA LEU 109 -3.069 5.065 0.904 683 HB2 LEU 109 1HB LEU 109 -3.818 6.980 3.162 684 HB3 LEU 109 2HB LEU 109 -3.247 7.483 1.576 685 HG LEU 109 HG LEU 109 -5.808 5.887 2.038 686 HD11 LEU 109 1HD1 LEU 109 -5.963 8.130 3.032 687 HD12 LEU 109 2HD1 LEU 109 -5.448 8.863 1.499 688 HD13 LEU 109 3HD1 LEU 109 -6.992 7.993 1.597 689 HD21 LEU 109 3HD2 LEU 109 -6.330 6.613 -0.311 690 HD22 LEU 109 1HD2 LEU 109 -4.673 7.243 -0.448 691 HD23 LEU 109 2HD2 LEU 109 -4.957 5.508 -0.213 692 H ALA 110 H ALA 110 -1.010 5.665 0.459 693 HA ALA 110 HA ALA 110 1.120 4.780 1.899 694 HB1 ALA 110 1HB ALA 110 1.208 5.465 -0.431 695 HB2 ALA 110 2HB ALA 110 1.127 7.182 0.016 696 HB3 ALA 110 3HB ALA 110 2.547 6.204 0.468 697 H TYR 111 H TYR 111 1.313 8.402 1.833 698 HA TYR 111 HA TYR 111 2.897 9.050 3.703 699 HB2 TYR 111 1HB TYR 111 1.934 11.140 3.739 700 HB3 TYR 111 2HB TYR 111 1.475 10.443 2.209 701 HD1 TYR 111 1HD TYR 111 -0.962 9.228 2.195 702 HD2 TYR 111 2HD TYR 111 0.323 12.208 5.042 703 HE1 TYR 111 1HE TYR 111 -3.324 9.715 2.760 704 HE2 TYR 111 2HE TYR 111 -2.050 12.759 5.532 705 HH TYR 111 HH TYR 111 -4.777 11.054 3.937 706 H LEU 112 H LEU 112 0.652 7.004 5.357 707 HA LEU 112 HA LEU 112 0.099 8.847 7.567 708 HB2 LEU 112 1HB LEU 112 -0.609 5.891 7.429 709 HB3 LEU 112 2HB LEU 112 -1.310 7.148 8.444 710 HG LEU 112 HG LEU 112 -1.636 6.691 5.484 711 HD11 LEU 112 1HD1 LEU 112 -3.126 5.434 7.006 712 HD12 LEU 112 2HD1 LEU 112 -3.719 6.978 7.667 713 HD13 LEU 112 3HD1 LEU 112 -4.000 6.574 5.955 714 HD21 LEU 112 3HD2 LEU 112 -3.091 8.697 5.411 715 HD22 LEU 112 1HD2 LEU 112 -2.413 9.182 6.992 716 HD23 LEU 112 2HD2 LEU 112 -1.362 9.008 5.560 717 H GLY 113 H GLY 113 1.323 5.491 7.741 718 HA2 GLY 113 1HA GLY 113 3.166 6.164 9.964 719 HA3 GLY 113 2HA GLY 113 2.800 4.550 9.296 720 H ALA 114 H ALA 114 3.412 6.798 6.833 721 HA ALA 114 HA ALA 114 5.721 5.477 5.885 722 HB1 ALA 114 1HB ALA 114 4.128 6.703 4.443 723 HB2 ALA 114 2HB ALA 114 4.632 8.242 5.192 724 HB3 ALA 114 3HB ALA 114 5.780 7.299 4.219 725 H LYS 115 H LYS 115 7.860 5.833 6.064 726 HA LYS 115 HA LYS 115 8.643 7.419 8.428 727 HB2 LYS 115 1HB LYS 115 9.991 5.154 6.956 728 HB3 LYS 115 2HB LYS 115 10.689 6.008 8.346 729 HG2 LYS 115 1HG LYS 115 8.635 5.463 9.691 730 HG3 LYS 115 2HG LYS 115 8.025 4.509 8.322 731 HD2 LYS 115 1HD LYS 115 10.023 3.081 8.426 732 HD3 LYS 115 2HD LYS 115 10.618 4.011 9.821 733 HE2 LYS 115 1HE LYS 115 8.802 3.282 11.221 734 HE3 LYS 115 2HE LYS 115 7.868 2.710 9.830 735 HZ1 LYS 115 3HZ LYS 115 8.900 0.848 11.020 736 HZ2 LYS 115 1HZ LYS 115 9.436 0.983 9.474 737 HZ3 LYS 115 2HZ LYS 115 10.395 1.463 10.726 738 HA PRO 116 HA PRO 116 10.967 10.436 6.024 739 HB2 PRO 116 1HB PRO 116 12.376 11.678 7.984 740 HB3 PRO 116 2HB PRO 116 10.597 11.833 7.849 741 HG2 PRO 116 1HG PRO 116 12.170 9.953 9.640 742 HG3 PRO 116 2HG PRO 116 10.812 11.034 10.092 743 HD2 PRO 116 1HD PRO 116 10.458 8.380 9.520 744 HD3 PRO 116 2HD PRO 116 9.227 9.611 9.104 745 H ARG 117 H ARG 117 13.043 10.670 5.130 746 HA ARG 117 HA ARG 117 15.195 8.759 5.941 747 HB2 ARG 117 1HB ARG 117 13.976 8.855 3.173 748 HB3 ARG 117 2HB ARG 117 15.400 7.931 3.688 749 HG2 ARG 117 1HG ARG 117 13.880 6.803 5.433 750 HG3 ARG 117 2HG ARG 117 12.519 7.565 4.578 751 HD2 ARG 117 1HD ARG 117 13.423 6.473 2.465 752 HD3 ARG 117 2HD ARG 117 14.512 5.556 3.522 753 HE ARG 117 HE ARG 117 11.534 5.370 3.325 754 HH11 ARG 117 1HH1 ARG 117 14.386 4.021 4.996 755 HH12 ARG 117 2HH1 ARG 117 13.408 2.763 5.703 756 HH21 ARG 117 1HH2 ARG 117 10.473 3.884 4.212 757 HH22 ARG 117 2HH2 ARG 117 11.173 2.595 5.195 758 H THR 118 H THR 118 17.121 9.718 5.887 759 HA THR 118 HA THR 118 17.630 12.296 4.576 760 HB THR 118 HB THR 118 19.975 11.889 5.455 761 HG1 THR 118 1HG THR 118 20.173 10.203 6.957 762 HG21 THR 118 3HG2 THR 118 19.371 12.341 7.790 763 HG22 THR 118 1HG2 THR 118 18.302 13.236 6.700 764 HG23 THR 118 2HG2 THR 118 17.714 11.765 7.508 765 H ASN 119 H ASN 119 19.134 12.669 2.959 766 HA ASN 119 HA ASN 119 20.361 10.579 1.399 767 HB2 ASN 119 1HB ASN 119 19.026 10.676 -0.585 768 HB3 ASN 119 2HB ASN 119 17.938 10.314 0.736 769 HD21 ASN 119 2HD2 ASN 119 16.457 12.055 1.490 770 HD22 ASN 119 1HD2 ASN 119 16.106 13.388 0.404 771 H VAL 120 H VAL 120 21.283 11.496 -0.692 772 HA VAL 120 HA VAL 120 21.591 14.382 -0.903 773 HB VAL 120 HB VAL 120 23.289 13.888 0.798 774 HG11 VAL 120 1HG1 VAL 120 23.870 11.548 0.193 775 HG12 VAL 120 2HG1 VAL 120 24.706 12.144 -1.260 776 HG13 VAL 120 3HG1 VAL 120 25.291 12.589 0.352 777 HG21 VAL 120 3HG2 VAL 120 25.154 15.037 -0.238 778 HG22 VAL 120 1HG2 VAL 120 24.572 14.625 -1.861 779 HG23 VAL 120 2HG2 VAL 120 23.632 15.725 -0.828 780 H GLN 121 H GLN 121 21.998 15.007 -2.943 781 HA GLN 121 HA GLN 121 22.846 13.311 -5.127 782 HB2 GLN 121 1HB GLN 121 20.642 13.164 -6.239 783 HB3 GLN 121 2HB GLN 121 20.721 12.218 -4.760 784 HG2 GLN 121 1HG GLN 121 19.503 14.062 -3.547 785 HG3 GLN 121 2HG GLN 121 19.351 14.927 -5.076 786 HE21 GLN 121 2HE2 GLN 121 17.668 12.900 -2.997 787 HE22 GLN 121 1HE2 GLN 121 16.567 12.203 -4.187 788 H5' G 7 H5' G 7 5.962 -9.161 12.957 789 H5'' G 7 H5" G 7 4.808 -9.772 11.754 790 H4' G 7 H4' G 7 7.179 -11.357 12.811 791 H3' G 7 H3' G 7 6.859 -9.613 10.361 792 H2' G 7 H2' G 7 7.873 -11.212 9.062 793 HO2' G 7 2HO G 7 9.880 -11.165 10.221 794 H1' G 7 H1' G 7 7.571 -13.324 11.078 795 H8 G 7 8H G 7 7.272 -15.341 9.708 796 H1 G 7 1H G 7 4.041 -12.264 5.055 797 H21 G 7 1H2 G 7 3.790 -10.195 5.583 798 H22 G 7 2H2 G 7 4.419 -9.542 7.099 799 HO5' G 7 H5T G 7 4.114 -10.066 13.994 800 H5' U 8 H5' U 8 8.553 -6.308 12.354 801 H5'' U 8 H5" U 8 7.003 -7.107 12.050 802 H4' U 8 H4' U 8 8.018 -4.753 10.421 803 H3' U 8 H3' U 8 7.439 -4.523 13.114 804 H2' U 8 H2' U 8 5.302 -5.449 12.967 805 HO2' U 8 2HO U 8 5.161 -2.638 12.749 806 H1' U 8 H1' U 8 4.782 -3.856 10.437 807 H3 U 8 3H U 8 0.484 -5.377 11.217 808 H5 U 8 5H U 8 2.783 -8.846 11.522 809 H6 U 8 6H U 8 4.803 -7.507 11.092 810 H5' G 9 H5' G 9 9.435 -1.143 9.295 811 H5'' G 9 H5" G 9 7.844 -1.897 9.406 812 H4' G 9 H4' G 9 10.328 -3.114 8.114 813 H3' G 9 H3' G 9 7.853 -1.746 7.028 814 H2' G 9 H2' G 9 7.934 -3.177 5.149 815 HO2' G 9 2HO G 9 10.404 -3.026 5.193 816 H1' G 9 H1' G 9 8.566 -5.462 6.557 817 H8 G 9 8H G 9 6.421 -6.528 5.747 818 H1 G 9 1H G 9 2.671 -1.977 8.352 819 H21 G 9 1H2 G 9 3.984 -0.393 9.268 820 H22 G 9 2H2 G 9 5.727 -0.537 9.128 821 H5' U 10 H5' U 10 7.476 -0.796 3.969 822 H5'' U 10 H5" U 10 9.090 -0.127 3.741 823 H4' U 10 H4' U 10 7.623 0.875 2.130 824 H3' U 10 H3' U 10 9.208 2.413 3.722 825 H2' U 10 H2' U 10 7.431 2.806 5.341 826 HO2' U 10 2HO U 10 8.220 4.896 3.898 827 H1' U 10 H1' U 10 5.768 3.378 2.882 828 H3 U 10 3H U 10 1.772 4.370 4.776 829 H5 U 10 5H U 10 3.638 2.071 7.734 830 H6 U 10 6H U 10 5.585 1.802 6.275 831 H5' G 11 H5' G 11 11.905 2.908 -0.088 832 H5'' G 11 H5" G 11 10.292 3.352 -0.640 833 H4' G 11 H4' G 11 10.673 1.001 1.223 834 H3' G 11 H3' G 11 12.099 1.025 -1.134 835 H2' G 11 H2' G 11 10.368 1.572 -2.522 836 HO2' G 11 2HO G 11 9.586 -0.311 -3.603 837 H1' G 11 H1' G 11 8.284 -0.226 -1.277 838 H8 G 11 8H G 11 7.540 3.219 -0.719 839 H1 G 11 1H G 11 6.275 1.770 -6.867 840 H21 G 11 1H2 G 11 7.255 -0.206 -7.347 841 H22 G 11 2H2 G 11 8.145 -1.056 -6.096 842 H5' C 12 H5' C 12 12.469 -3.174 -2.214 843 H5'' C 12 H5" C 12 12.074 -3.509 -0.534 844 H4' C 12 H4' C 12 13.286 -5.368 -1.162 845 H3' C 12 H3' C 12 14.338 -3.831 0.842 846 HO3' C 12 H3T C 12 15.663 -6.165 -0.135 847 H2' C 12 H2' C 12 15.941 -2.622 -0.253 848 HO2' C 12 2HO C 12 17.293 -5.153 -0.165 849 H1' C 12 H1' C 12 16.785 -4.532 -2.328 850 H41 C 12 1H4 C 12 17.444 1.517 -4.275 851 H42 C 12 2H4 C 12 15.816 1.493 -4.949 852 H5 C 12 5H C 12 14.361 -0.434 -4.693 853 H6 C 12 6H C 12 14.141 -2.626 -3.670 Start of MODEL 18 1 H1 GLY 19 1H GLY 19 -23.745 17.716 5.207 2 H2 GLY 19 2H GLY 19 -23.893 16.489 6.281 3 H3 GLY 19 3H GLY 19 -24.979 17.718 6.287 4 HA2 GLY 19 1HA GLY 19 -23.291 19.293 6.963 5 HA3 GLY 19 2HA GLY 19 -23.467 17.971 8.133 6 H SER 20 H SER 20 -21.147 19.523 8.008 7 HA SER 20 HA SER 20 -19.053 17.553 7.597 8 HB2 SER 20 1HB SER 20 -17.786 18.830 5.916 9 HB3 SER 20 2HB SER 20 -19.317 18.241 5.270 10 HG SER 20 HG SER 20 -18.924 20.437 4.690 11 H THR 21 H THR 21 -16.867 18.515 8.051 12 HA THR 21 HA THR 21 -16.831 20.868 9.856 13 HB THR 21 HB THR 21 -15.503 19.537 11.512 14 HG1 THR 21 1HG THR 21 -15.671 17.277 11.386 15 HG21 THR 21 3HG2 THR 21 -17.372 18.495 12.636 16 HG22 THR 21 1HG2 THR 21 -17.933 19.996 11.881 17 HG23 THR 21 2HG2 THR 21 -18.317 18.428 11.135 18 H ASN 22 H ASN 22 -14.640 21.533 10.403 19 HA ASN 22 HA ASN 22 -12.417 20.638 8.728 20 HB2 ASN 22 1HB ASN 22 -13.707 22.035 7.142 21 HB3 ASN 22 2HB ASN 22 -13.713 23.362 8.301 22 HD21 ASN 22 2HD2 ASN 22 -12.662 24.728 6.693 23 HD22 ASN 22 1HD2 ASN 22 -10.948 24.530 6.370 24 H ALA 23 H ALA 23 -10.569 20.938 9.777 25 HA ALA 23 HA ALA 23 -10.089 23.231 11.577 26 HB1 ALA 23 1HB ALA 23 -11.210 21.537 13.006 27 HB2 ALA 23 2HB ALA 23 -9.974 20.339 12.556 28 HB3 ALA 23 3HB ALA 23 -9.527 21.780 13.493 29 H GLU 24 H GLU 24 -8.875 21.513 9.078 30 HA GLU 24 HA GLU 24 -6.068 22.079 9.686 31 HB2 GLU 24 1HB GLU 24 -7.063 19.246 9.130 32 HB3 GLU 24 2HB GLU 24 -5.382 19.756 8.988 33 HG2 GLU 24 1HG GLU 24 -5.409 20.404 11.416 34 HG3 GLU 24 2HG GLU 24 -7.030 19.702 11.542 35 HA PRO 25 HA PRO 25 -6.350 22.901 5.324 36 HB2 PRO 25 1HB PRO 25 -3.727 23.004 4.556 37 HB3 PRO 25 2HB PRO 25 -4.502 24.241 5.591 38 HG2 PRO 25 1HG PRO 25 -2.801 21.886 6.466 39 HG3 PRO 25 2HG PRO 25 -2.685 23.595 6.990 40 HD2 PRO 25 1HD PRO 25 -4.016 21.713 8.452 41 HD3 PRO 25 2HD PRO 25 -4.587 23.405 8.362 42 H VAL 26 H VAL 26 -7.058 21.515 3.858 43 HA VAL 26 HA VAL 26 -5.442 19.214 2.925 44 HB VAL 26 HB VAL 26 -8.372 18.940 3.759 45 HG11 VAL 26 1HG1 VAL 26 -7.904 17.617 1.733 46 HG12 VAL 26 2HG1 VAL 26 -6.459 16.916 2.498 47 HG13 VAL 26 3HG1 VAL 26 -8.081 16.544 3.120 48 HG21 VAL 26 3HG2 VAL 26 -7.564 17.206 5.347 49 HG22 VAL 26 1HG2 VAL 26 -5.885 17.622 4.943 50 HG23 VAL 26 2HG2 VAL 26 -6.941 18.802 5.753 51 H VAL 27 H VAL 27 -5.460 19.150 0.768 52 HA VAL 27 HA VAL 27 -7.598 20.160 -0.921 53 HB VAL 27 HB VAL 27 -6.564 22.277 -0.127 54 HG11 VAL 27 1HG1 VAL 27 -4.223 21.518 0.185 55 HG12 VAL 27 2HG1 VAL 27 -4.039 21.396 -1.578 56 HG13 VAL 27 3HG1 VAL 27 -4.336 22.969 -0.820 57 HG21 VAL 27 3HG2 VAL 27 -6.389 23.387 -2.236 58 HG22 VAL 27 1HG2 VAL 27 -6.018 21.880 -3.088 59 HG23 VAL 27 2HG2 VAL 27 -7.631 22.131 -2.376 60 H GLY 28 H GLY 28 -7.208 19.772 -3.165 61 HA2 GLY 28 1HA GLY 28 -5.676 17.374 -3.707 62 HA3 GLY 28 2HA GLY 28 -6.705 18.274 -4.838 63 H SER 29 H SER 29 -3.808 19.454 -3.074 64 HA SER 29 HA SER 29 -2.588 20.496 -5.520 65 HB2 SER 29 1HB SER 29 -0.776 21.171 -3.966 66 HB3 SER 29 2HB SER 29 -2.377 21.718 -3.441 67 HG SER 29 HG SER 29 -1.123 20.785 -1.716 68 H ARG 30 H ARG 30 -2.481 17.463 -3.915 69 HA ARG 30 HA ARG 30 -0.310 16.487 -5.722 70 HB2 ARG 30 1HB ARG 30 -0.897 15.614 -2.863 71 HB3 ARG 30 2HB ARG 30 0.228 14.806 -3.950 72 HG2 ARG 30 1HG ARG 30 0.570 17.662 -2.918 73 HG3 ARG 30 2HG ARG 30 1.278 16.222 -2.202 74 HD2 ARG 30 1HD ARG 30 3.004 17.169 -3.475 75 HD3 ARG 30 2HD ARG 30 2.451 15.764 -4.402 76 HE ARG 30 HE ARG 30 1.033 18.126 -5.219 77 HH11 ARG 30 1HH1 ARG 30 4.265 16.733 -5.628 78 HH12 ARG 30 2HH1 ARG 30 4.500 17.548 -7.146 79 HH21 ARG 30 1HH2 ARG 30 1.369 19.098 -7.101 80 HH22 ARG 30 2HH2 ARG 30 2.864 18.902 -7.984 81 H ASP 31 H ASP 31 -1.013 14.972 -7.049 82 HA ASP 31 HA ASP 31 -3.808 14.229 -6.960 83 HB2 ASP 31 1HB ASP 31 -2.501 15.062 -8.956 84 HB3 ASP 31 2HB ASP 31 -1.673 13.507 -8.999 85 H THR 32 H THR 32 -1.254 12.723 -5.594 86 HA THR 32 HA THR 32 -2.238 9.924 -5.987 87 HB THR 32 HB THR 32 0.092 9.303 -5.298 88 HG1 THR 32 1HG THR 32 1.615 11.010 -5.342 89 HG21 THR 32 3HG2 THR 32 1.135 9.870 -7.433 90 HG22 THR 32 1HG2 THR 32 -0.565 9.451 -7.696 91 HG23 THR 32 2HG2 THR 32 -0.057 11.153 -7.725 92 H MET 33 H MET 33 -1.720 12.298 -3.468 93 HA MET 33 HA MET 33 -1.216 10.585 -1.286 94 HB2 MET 33 1HB MET 33 -2.673 13.262 -1.358 95 HB3 MET 33 2HB MET 33 -2.109 12.464 0.113 96 HG2 MET 33 1HG MET 33 -0.336 13.373 -2.181 97 HG3 MET 33 2HG MET 33 -0.552 14.174 -0.627 98 HE1 MET 33 3HE MET 33 3.050 13.053 -0.089 99 HE2 MET 33 1HE MET 33 2.280 13.820 -1.498 100 HE3 MET 33 2HE MET 33 1.828 14.321 0.153 101 H PHE 34 H PHE 34 -4.211 11.130 -2.891 102 HA PHE 34 HA PHE 34 -5.802 9.837 -0.733 103 HB2 PHE 34 1HB PHE 34 -6.761 11.348 -3.176 104 HB3 PHE 34 2HB PHE 34 -7.697 10.930 -1.742 105 HD1 PHE 34 1HD PHE 34 -6.723 11.898 0.560 106 HD2 PHE 34 2HD PHE 34 -5.842 13.504 -3.346 107 HE1 PHE 34 1HE PHE 34 -6.042 14.054 1.595 108 HE2 PHE 34 2HE PHE 34 -5.139 15.644 -2.304 109 HZ PHE 34 HZ PHE 34 -5.248 15.928 0.163 110 H THR 35 H THR 35 -4.207 8.744 -3.407 111 HA THR 35 HA THR 35 -6.206 6.605 -4.024 112 HB THR 35 HB THR 35 -5.532 6.809 -6.408 113 HG1 THR 35 1HG THR 35 -4.566 8.827 -6.983 114 HG21 THR 35 3HG2 THR 35 -6.972 8.661 -6.960 115 HG22 THR 35 1HG2 THR 35 -7.642 7.833 -5.545 116 HG23 THR 35 2HG2 THR 35 -6.775 9.374 -5.345 117 H LYS 36 H LYS 36 -2.872 7.415 -3.517 118 HA LYS 36 HA LYS 36 -1.884 4.791 -4.393 119 HB2 LYS 36 1HB LYS 36 -0.664 6.941 -4.722 120 HB3 LYS 36 2HB LYS 36 -0.540 7.114 -2.963 121 HG2 LYS 36 1HG LYS 36 0.752 4.959 -2.887 122 HG3 LYS 36 2HG LYS 36 0.658 4.871 -4.654 123 HD2 LYS 36 1HD LYS 36 1.850 6.997 -4.872 124 HD3 LYS 36 2HD LYS 36 1.867 7.213 -3.104 125 HE2 LYS 36 1HE LYS 36 3.239 5.209 -2.821 126 HE3 LYS 36 2HE LYS 36 3.119 4.844 -4.542 127 HZ1 LYS 36 3HZ LYS 36 5.200 5.896 -3.997 128 HZ2 LYS 36 1HZ LYS 36 4.359 6.859 -5.018 129 HZ3 LYS 36 2HZ LYS 36 4.460 7.243 -3.421 130 H ILE 37 H ILE 37 -1.838 3.046 -3.125 131 HA ILE 37 HA ILE 37 -2.267 3.287 -0.170 132 HB ILE 37 HB ILE 37 -3.352 1.067 -1.931 133 HG12 ILE 37 1HG1 ILE 37 -4.851 3.620 -1.190 134 HG13 ILE 37 2HG1 ILE 37 -4.332 3.171 -2.814 135 HG21 ILE 37 1HG2 ILE 37 -3.137 0.766 0.555 136 HG22 ILE 37 2HG2 ILE 37 -4.252 2.133 0.768 137 HG23 ILE 37 3HG2 ILE 37 -4.793 0.643 -0.034 138 HD11 ILE 37 3HD1 ILE 37 -6.651 2.705 -2.656 139 HD12 ILE 37 1HD1 ILE 37 -5.787 1.161 -2.740 140 HD13 ILE 37 2HD1 ILE 37 -6.442 1.742 -1.184 141 H PHE 38 H PHE 38 -0.758 2.408 1.028 142 HA PHE 38 HA PHE 38 1.222 0.450 0.006 143 HB2 PHE 38 1HB PHE 38 2.144 2.236 1.327 144 HB3 PHE 38 2HB PHE 38 0.889 2.091 2.539 145 HD1 PHE 38 2HD PHE 38 0.890 0.329 4.217 146 HD2 PHE 38 1HD PHE 38 4.161 0.690 1.380 147 HE1 PHE 38 2HE PHE 38 2.297 -1.110 5.653 148 HE2 PHE 38 1HE PHE 38 5.562 -0.660 2.901 149 HZ PHE 38 HZ PHE 38 4.649 -1.609 4.992 150 H VAL 39 H VAL 39 1.164 -1.680 0.621 151 HA VAL 39 HA VAL 39 -0.981 -2.610 2.484 152 HB VAL 39 HB VAL 39 -0.518 -3.851 -0.267 153 HG11 VAL 39 1HG1 VAL 39 -1.154 -5.569 1.279 154 HG12 VAL 39 2HG1 VAL 39 -2.309 -4.527 2.108 155 HG13 VAL 39 3HG1 VAL 39 -2.658 -5.110 0.472 156 HG21 VAL 39 3HG2 VAL 39 -2.768 -3.086 -0.818 157 HG22 VAL 39 1HG2 VAL 39 -2.873 -2.198 0.723 158 HG23 VAL 39 2HG2 VAL 39 -1.704 -1.720 -0.530 159 H GLY 40 H GLY 40 0.479 -3.079 4.061 160 HA2 GLY 40 1HA GLY 40 2.619 -5.099 3.485 161 HA3 GLY 40 2HA GLY 40 2.573 -4.103 4.908 162 H GLY 41 H GLY 41 2.997 -6.416 5.669 163 HA2 GLY 41 1HA GLY 41 2.285 -8.221 6.916 164 HA3 GLY 41 2HA GLY 41 0.628 -7.569 6.869 165 H LEU 42 H LEU 42 2.132 -8.118 3.812 166 HA LEU 42 HA LEU 42 0.236 -10.220 3.084 167 HB2 LEU 42 1HB LEU 42 2.610 -8.972 1.620 168 HB3 LEU 42 2HB LEU 42 1.494 -10.122 0.898 169 HG LEU 42 HG LEU 42 0.698 -7.363 1.934 170 HD11 LEU 42 1HD1 LEU 42 2.183 -7.256 -0.043 171 HD12 LEU 42 2HD1 LEU 42 1.106 -8.363 -0.918 172 HD13 LEU 42 3HD1 LEU 42 0.534 -6.749 -0.442 173 HD21 LEU 42 3HD2 LEU 42 -1.414 -7.817 0.653 174 HD22 LEU 42 1HD2 LEU 42 -0.858 -9.478 0.372 175 HD23 LEU 42 2HD2 LEU 42 -1.201 -8.911 2.020 176 HA PRO 43 HA PRO 43 3.142 -13.554 3.986 177 HB2 PRO 43 1HB PRO 43 2.093 -15.581 2.506 178 HB3 PRO 43 2HB PRO 43 1.368 -15.006 4.036 179 HG2 PRO 43 1HG PRO 43 0.532 -14.347 1.215 180 HG3 PRO 43 2HG PRO 43 -0.499 -14.718 2.631 181 HD2 PRO 43 1HD PRO 43 0.050 -12.145 1.751 182 HD3 PRO 43 2HD PRO 43 -0.323 -12.536 3.443 183 H TYR 44 H TYR 44 5.032 -14.281 2.979 184 HA TYR 44 HA TYR 44 6.007 -12.644 0.930 185 HB2 TYR 44 1HB TYR 44 7.080 -15.298 1.943 186 HB3 TYR 44 2HB TYR 44 8.005 -14.157 0.990 187 HD1 TYR 44 2HD TYR 44 6.992 -11.568 2.522 188 HD2 TYR 44 1HD TYR 44 8.625 -15.367 3.755 189 HE1 TYR 44 2HE TYR 44 7.911 -10.511 4.565 190 HE2 TYR 44 1HE TYR 44 9.555 -14.301 5.797 191 HH TYR 44 HH TYR 44 9.120 -10.806 6.494 192 H HIS 45 H HIS 45 4.157 -15.443 0.373 193 HA HIS 45 HA HIS 45 5.220 -15.916 -2.350 194 HB2 HIS 45 1HB HIS 45 3.642 -17.810 -2.355 195 HB3 HIS 45 2HB HIS 45 4.789 -17.848 -1.025 196 HD2 HIS 45 2HD HIS 45 3.562 -19.000 0.912 197 HE1 HIS 45 1HE HIS 45 -0.121 -16.877 0.841 198 HE2 HIS 45 2HE HIS 45 1.229 -18.648 2.072 199 H THR 46 H THR 46 3.130 -13.648 -1.142 200 HA THR 46 HA THR 46 1.023 -13.614 -3.140 201 HB THR 46 HB THR 46 2.134 -11.255 -1.557 202 HG1 THR 46 1HG THR 46 1.504 -12.793 -0.123 203 HG21 THR 46 3HG2 THR 46 -0.128 -10.343 -1.797 204 HG22 THR 46 1HG2 THR 46 0.531 -10.652 -3.406 205 HG23 THR 46 2HG2 THR 46 -0.651 -11.774 -2.700 206 H SER 47 H SER 47 1.108 -12.926 -5.228 207 HA SER 47 HA SER 47 3.564 -11.570 -6.219 208 HB2 SER 47 1HB SER 47 2.895 -12.228 -8.404 209 HB3 SER 47 2HB SER 47 2.787 -13.647 -7.355 210 HG SER 47 HG SER 47 0.959 -13.474 -8.702 211 H ASP 48 H ASP 48 3.249 -9.907 -7.899 212 HA ASP 48 HA ASP 48 1.688 -7.658 -7.103 213 HB2 ASP 48 1HB ASP 48 2.353 -6.763 -9.288 214 HB3 ASP 48 2HB ASP 48 3.718 -7.474 -8.436 215 H LYS 49 H LYS 49 0.948 -10.384 -9.278 216 HA LYS 49 HA LYS 49 -1.563 -9.153 -10.134 217 HB2 LYS 49 1HB LYS 49 -0.226 -10.573 -11.657 218 HB3 LYS 49 2HB LYS 49 -0.498 -11.962 -10.604 219 HG2 LYS 49 1HG LYS 49 -1.979 -12.000 -12.558 220 HG3 LYS 49 2HG LYS 49 -2.910 -11.888 -11.066 221 HD2 LYS 49 1HD LYS 49 -3.276 -9.471 -11.446 222 HD3 LYS 49 2HD LYS 49 -2.262 -9.535 -12.904 223 HE2 LYS 49 1HE LYS 49 -3.871 -11.092 -13.951 224 HE3 LYS 49 2HE LYS 49 -4.833 -11.126 -12.467 225 HZ1 LYS 49 3HZ LYS 49 -5.768 -9.573 -14.064 226 HZ2 LYS 49 1HZ LYS 49 -5.240 -8.733 -12.761 227 HZ3 LYS 49 2HZ LYS 49 -4.376 -8.724 -14.151 228 H THR 50 H THR 50 -0.590 -11.551 -7.683 229 HA THR 50 HA THR 50 -3.220 -12.426 -6.901 230 HB THR 50 HB THR 50 -0.772 -12.071 -5.124 231 HG1 THR 50 1HG THR 50 -0.389 -13.456 -6.905 232 HG21 THR 50 3HG2 THR 50 -1.816 -13.910 -3.795 233 HG22 THR 50 1HG2 THR 50 -2.808 -12.450 -3.783 234 HG23 THR 50 2HG2 THR 50 -3.261 -13.817 -4.822 235 H LEU 51 H LEU 51 -1.243 -9.624 -5.851 236 HA LEU 51 HA LEU 51 -3.262 -8.631 -4.068 237 HB2 LEU 51 1HB LEU 51 -0.764 -8.163 -3.992 238 HB3 LEU 51 2HB LEU 51 -0.954 -7.169 -5.433 239 HG LEU 51 HG LEU 51 -2.514 -5.663 -4.120 240 HD11 LEU 51 1HD1 LEU 51 -3.280 -7.203 -2.386 241 HD12 LEU 51 2HD1 LEU 51 -1.617 -7.397 -1.779 242 HD13 LEU 51 3HD1 LEU 51 -2.450 -5.831 -1.649 243 HD21 LEU 51 3HD2 LEU 51 -0.686 -4.622 -2.789 244 HD22 LEU 51 1HD2 LEU 51 0.301 -6.073 -3.038 245 HD23 LEU 51 2HD2 LEU 51 -0.188 -5.071 -4.428 246 H HIS 52 H HIS 52 -2.555 -7.869 -7.486 247 HA HIS 52 HA HIS 52 -4.501 -5.805 -7.794 248 HB2 HIS 52 1HB HIS 52 -2.701 -6.327 -9.412 249 HB3 HIS 52 2HB HIS 52 -3.446 -7.878 -9.758 250 HD2 HIS 52 2HD HIS 52 -3.621 -4.217 -10.723 251 HE1 HIS 52 1HE HIS 52 -6.725 -6.138 -12.895 252 HE2 HIS 52 2HE HIS 52 -5.391 -3.992 -12.647 253 H GLU 53 H GLU 53 -4.756 -9.334 -7.916 254 HA GLU 53 HA GLU 53 -7.503 -9.433 -8.851 255 HB2 GLU 53 1HB GLU 53 -5.546 -11.456 -7.740 256 HB3 GLU 53 2HB GLU 53 -7.243 -11.883 -8.011 257 HG2 GLU 53 1HG GLU 53 -7.045 -11.140 -10.383 258 HG3 GLU 53 2HG GLU 53 -5.323 -10.871 -10.147 259 H TYR 54 H TYR 54 -6.129 -8.898 -5.678 260 HA TYR 54 HA TYR 54 -8.724 -9.501 -4.373 261 HB2 TYR 54 1HB TYR 54 -6.556 -9.995 -3.227 262 HB3 TYR 54 2HB TYR 54 -6.233 -8.262 -3.159 263 HD1 TYR 54 1HD TYR 54 -8.479 -10.992 -2.020 264 HD2 TYR 54 2HD TYR 54 -7.492 -6.814 -1.610 265 HE1 TYR 54 1HE TYR 54 -10.057 -10.814 -0.108 266 HE2 TYR 54 2HE TYR 54 -9.079 -6.626 0.293 267 HH TYR 54 HH TYR 54 -11.036 -9.418 1.434 268 H PHE 55 H PHE 55 -6.733 -6.621 -5.224 269 HA PHE 55 HA PHE 55 -8.639 -4.816 -4.032 270 HB2 PHE 55 1HB PHE 55 -6.072 -4.503 -5.559 271 HB3 PHE 55 2HB PHE 55 -7.130 -3.115 -5.382 272 HD1 PHE 55 1HD PHE 55 -5.587 -5.834 -3.248 273 HD2 PHE 55 2HD PHE 55 -6.947 -1.748 -3.509 274 HE1 PHE 55 1HE PHE 55 -4.836 -5.431 -0.923 275 HE2 PHE 55 2HE PHE 55 -6.173 -1.350 -1.182 276 HZ PHE 55 HZ PHE 55 -5.154 -3.200 0.119 277 H GLU 56 H GLU 56 -8.623 -6.216 -7.211 278 HA GLU 56 HA GLU 56 -10.002 -4.091 -8.507 279 HB2 GLU 56 1HB GLU 56 -10.424 -5.659 -10.311 280 HB3 GLU 56 2HB GLU 56 -8.771 -5.708 -9.739 281 HG2 GLU 56 1HG GLU 56 -9.211 -7.932 -10.063 282 HG3 GLU 56 2HG GLU 56 -9.473 -7.774 -8.336 283 H GLN 57 H GLN 57 -11.249 -6.074 -6.058 284 HA GLN 57 HA GLN 57 -14.044 -5.941 -6.855 285 HB2 GLN 57 1HB GLN 57 -14.531 -6.820 -4.727 286 HB3 GLN 57 2HB GLN 57 -13.022 -7.591 -5.210 287 HG2 GLN 57 1HG GLN 57 -11.811 -5.824 -3.784 288 HG3 GLN 57 2HG GLN 57 -13.396 -5.317 -3.208 289 HE21 GLN 57 2HE2 GLN 57 -10.870 -7.671 -2.842 290 HE22 GLN 57 1HE2 GLN 57 -11.674 -8.603 -1.581 291 H PHE 58 H PHE 58 -11.813 -3.599 -5.596 292 HA PHE 58 HA PHE 58 -13.903 -1.928 -4.351 293 HB2 PHE 58 1HB PHE 58 -10.913 -1.482 -4.625 294 HB3 PHE 58 2HB PHE 58 -12.011 -0.591 -3.592 295 HD1 PHE 58 2HD PHE 58 -13.559 -2.466 -2.085 296 HD2 PHE 58 1HD PHE 58 -9.455 -2.787 -3.361 297 HE1 PHE 58 2HE PHE 58 -13.094 -4.016 -0.209 298 HE2 PHE 58 1HE PHE 58 -8.994 -4.348 -1.486 299 HZ PHE 58 HZ PHE 58 -10.819 -4.966 0.092 300 H GLY 59 H GLY 59 -12.418 -2.184 -7.444 301 HA2 GLY 59 1HA GLY 59 -13.727 -0.615 -9.055 302 HA3 GLY 59 2HA GLY 59 -12.951 0.670 -8.138 303 H ASP 60 H ASP 60 -11.690 1.492 -9.718 304 HA ASP 60 HA ASP 60 -10.287 -0.268 -11.623 305 HB2 ASP 60 1HB ASP 60 -10.701 2.739 -11.454 306 HB3 ASP 60 2HB ASP 60 -9.728 1.946 -12.693 307 H ILE 61 H ILE 61 -8.259 -0.883 -11.453 308 HA ILE 61 HA ILE 61 -6.411 0.416 -9.518 309 HB ILE 61 HB ILE 61 -6.164 -2.201 -11.037 310 HG12 ILE 61 1HG1 ILE 61 -6.706 -1.660 -8.074 311 HG13 ILE 61 2HG1 ILE 61 -7.957 -2.123 -9.228 312 HG21 ILE 61 1HG2 ILE 61 -3.949 -1.231 -10.583 313 HG22 ILE 61 2HG2 ILE 61 -4.420 -0.867 -8.904 314 HG23 ILE 61 3HG2 ILE 61 -4.215 -2.531 -9.449 315 HD11 ILE 61 3HD1 ILE 61 -7.248 -4.052 -7.964 316 HD12 ILE 61 1HD1 ILE 61 -6.801 -4.270 -9.657 317 HD13 ILE 61 2HD1 ILE 61 -5.575 -3.846 -8.430 318 H GLU 62 H GLU 62 -4.728 1.592 -10.074 319 HA GLU 62 HA GLU 62 -4.173 2.254 -12.911 320 HB2 GLU 62 1HB GLU 62 -4.735 3.963 -11.040 321 HB3 GLU 62 2HB GLU 62 -3.122 3.624 -10.410 322 HG2 GLU 62 1HG GLU 62 -2.139 4.328 -12.561 323 HG3 GLU 62 2HG GLU 62 -3.771 4.606 -13.210 324 H GLU 63 H GLU 63 -2.658 0.896 -9.987 325 HA GLU 63 HA GLU 63 -0.578 -0.450 -11.480 326 HB2 GLU 63 1HB GLU 63 0.457 1.811 -11.180 327 HB3 GLU 63 2HB GLU 63 0.238 1.673 -9.433 328 HG2 GLU 63 1HG GLU 63 1.762 -0.255 -9.358 329 HG3 GLU 63 2HG GLU 63 1.912 -0.240 -11.117 330 H ALA 64 H ALA 64 0.229 -2.222 -10.218 331 HA ALA 64 HA ALA 64 -0.344 -2.358 -7.356 332 HB1 ALA 64 1HB ALA 64 -2.430 -3.252 -8.237 333 HB2 ALA 64 2HB ALA 64 -1.540 -4.356 -9.312 334 HB3 ALA 64 3HB ALA 64 -1.481 -4.579 -7.549 335 H VAL 65 H VAL 65 1.200 -3.479 -6.300 336 HA VAL 65 HA VAL 65 3.085 -5.299 -7.688 337 HB VAL 65 HB VAL 65 5.059 -4.030 -6.952 338 HG11 VAL 65 1HG1 VAL 65 4.263 -3.766 -9.285 339 HG12 VAL 65 2HG1 VAL 65 3.387 -2.293 -8.797 340 HG13 VAL 65 3HG1 VAL 65 5.151 -2.364 -8.674 341 HG21 VAL 65 3HG2 VAL 65 4.954 -1.717 -6.237 342 HG22 VAL 65 1HG2 VAL 65 3.182 -1.714 -6.332 343 HG23 VAL 65 2HG2 VAL 65 4.036 -2.697 -5.117 344 H VAL 66 H VAL 66 4.605 -6.326 -6.259 345 HA VAL 66 HA VAL 66 4.194 -5.990 -3.334 346 HB VAL 66 HB VAL 66 4.473 -8.693 -4.714 347 HG11 VAL 66 1HG1 VAL 66 5.793 -8.656 -2.628 348 HG12 VAL 66 2HG1 VAL 66 4.425 -7.940 -1.746 349 HG13 VAL 66 3HG1 VAL 66 4.322 -9.596 -2.369 350 HG21 VAL 66 3HG2 VAL 66 2.296 -9.176 -3.614 351 HG22 VAL 66 1HG2 VAL 66 2.226 -7.506 -3.015 352 HG23 VAL 66 2HG2 VAL 66 2.145 -7.837 -4.758 353 H ILE 67 H ILE 67 6.095 -5.696 -2.292 354 HA ILE 67 HA ILE 67 8.357 -5.058 -4.030 355 HB ILE 67 HB ILE 67 7.948 -4.719 -1.041 356 HG12 ILE 67 1HG1 ILE 67 6.379 -3.303 -2.242 357 HG13 ILE 67 2HG1 ILE 67 7.670 -2.344 -1.554 358 HG21 ILE 67 1HG2 ILE 67 10.323 -4.774 -1.465 359 HG22 ILE 67 2HG2 ILE 67 10.156 -3.687 -2.855 360 HG23 ILE 67 3HG2 ILE 67 9.824 -3.098 -1.208 361 HD11 ILE 67 3HD1 ILE 67 7.174 -1.410 -3.641 362 HD12 ILE 67 1HD1 ILE 67 8.764 -2.198 -3.797 363 HD13 ILE 67 2HD1 ILE 67 7.315 -2.978 -4.481 364 H THR 68 H THR 68 9.650 -6.537 -4.697 365 HA THR 68 HA THR 68 10.862 -8.501 -2.825 366 HB THR 68 HB THR 68 11.294 -9.867 -4.903 367 HG1 THR 68 1HG THR 68 9.920 -9.403 -6.676 368 HG21 THR 68 3HG2 THR 68 9.026 -10.822 -5.015 369 HG22 THR 68 1HG2 THR 68 9.490 -10.477 -3.345 370 HG23 THR 68 2HG2 THR 68 8.363 -9.392 -4.192 371 H ASP 69 H ASP 69 12.996 -8.527 -2.672 372 HA ASP 69 HA ASP 69 14.515 -6.258 -3.241 373 HB2 ASP 69 1HB ASP 69 15.028 -7.978 -1.533 374 HB3 ASP 69 2HB ASP 69 15.449 -9.107 -2.822 375 H ARG 70 H ARG 70 15.720 -5.487 -4.660 376 HA ARG 70 HA ARG 70 15.611 -6.133 -7.354 377 HB2 ARG 70 1HB ARG 70 16.829 -4.198 -7.687 378 HB3 ARG 70 2HB ARG 70 15.875 -3.940 -6.244 379 HG2 ARG 70 1HG ARG 70 18.829 -4.331 -6.547 380 HG3 ARG 70 2HG ARG 70 17.922 -2.998 -5.802 381 HD2 ARG 70 1HD ARG 70 17.460 -4.417 -3.841 382 HD3 ARG 70 2HD ARG 70 18.410 -5.724 -4.560 383 HE ARG 70 HE ARG 70 19.968 -3.345 -4.528 384 HH11 ARG 70 1HH1 ARG 70 18.732 -5.701 -2.167 385 HH12 ARG 70 2HH1 ARG 70 20.106 -5.473 -1.125 386 HH21 ARG 70 1HH2 ARG 70 21.663 -3.088 -3.106 387 HH22 ARG 70 2HH2 ARG 70 21.721 -4.005 -1.634 388 H ASN 71 H ASN 71 17.663 -7.738 -5.194 389 HA ASN 71 HA ASN 71 19.505 -8.638 -7.385 390 HB2 ASN 71 1HB ASN 71 20.560 -7.117 -5.663 391 HB3 ASN 71 2HB ASN 71 20.122 -8.270 -4.421 392 HD21 ASN 71 2HD2 ASN 71 22.047 -9.224 -3.776 393 HD22 ASN 71 1HD2 ASN 71 23.228 -9.888 -4.891 394 H THR 72 H THR 72 17.713 -9.527 -4.469 395 HA THR 72 HA THR 72 18.284 -12.441 -4.878 396 HB THR 72 HB THR 72 17.763 -12.627 -2.429 397 HG1 THR 72 1HG THR 72 17.822 -9.797 -2.509 398 HG21 THR 72 3HG2 THR 72 19.846 -11.578 -1.642 399 HG22 THR 72 1HG2 THR 72 20.129 -12.308 -3.233 400 HG23 THR 72 2HG2 THR 72 19.928 -10.547 -3.089 401 H GLN 73 H GLN 73 15.705 -10.210 -5.059 402 HA GLN 73 HA GLN 73 13.481 -10.354 -5.278 403 HB2 GLN 73 1HB GLN 73 14.232 -13.098 -6.348 404 HB3 GLN 73 2HB GLN 73 12.596 -12.459 -6.433 405 HG2 GLN 73 1HG GLN 73 14.981 -10.956 -7.595 406 HG3 GLN 73 2HG GLN 73 14.030 -12.127 -8.501 407 HE21 GLN 73 2HE2 GLN 73 13.921 -8.853 -7.037 408 HE22 GLN 73 1HE2 GLN 73 12.375 -8.445 -7.761 409 H LYS 74 H LYS 74 14.726 -11.326 -2.655 410 HA LYS 74 HA LYS 74 12.670 -12.970 -1.472 411 HB2 LYS 74 1HB LYS 74 13.903 -12.617 0.566 412 HB3 LYS 74 2HB LYS 74 15.001 -12.894 -0.754 413 HG2 LYS 74 1HG LYS 74 16.101 -11.253 0.315 414 HG3 LYS 74 2HG LYS 74 15.217 -10.319 -0.890 415 HD2 LYS 74 1HD LYS 74 13.526 -9.724 0.834 416 HD3 LYS 74 2HD LYS 74 14.428 -10.640 2.041 417 HE2 LYS 74 1HE LYS 74 15.617 -8.351 0.401 418 HE3 LYS 74 2HE LYS 74 14.789 -8.087 1.934 419 HZ1 LYS 74 3HZ LYS 74 17.178 -8.273 2.255 420 HZ2 LYS 74 1HZ LYS 74 16.446 -9.531 2.998 421 HZ3 LYS 74 2HZ LYS 74 17.220 -9.756 1.572 422 H SER 75 H SER 75 10.800 -12.333 -0.392 423 HA SER 75 HA SER 75 9.759 -9.679 -1.111 424 HB2 SER 75 1HB SER 75 8.323 -11.633 -1.283 425 HB3 SER 75 2HB SER 75 8.503 -11.946 0.455 426 HG SER 75 HG SER 75 6.587 -10.630 -0.416 427 H ARG 76 H ARG 76 9.277 -7.985 0.167 428 HA ARG 76 HA ARG 76 10.423 -7.789 2.879 429 HB2 ARG 76 1HB ARG 76 8.959 -5.850 1.095 430 HB3 ARG 76 2HB ARG 76 9.387 -5.531 2.777 431 HG2 ARG 76 1HG ARG 76 11.821 -6.423 1.951 432 HG3 ARG 76 2HG ARG 76 11.193 -5.865 0.398 433 HD2 ARG 76 1HD ARG 76 12.296 -4.009 1.406 434 HD3 ARG 76 2HD ARG 76 10.587 -3.705 1.527 435 HE ARG 76 HE ARG 76 10.706 -3.947 3.881 436 HH11 ARG 76 1HH1 ARG 76 13.929 -4.621 2.534 437 HH12 ARG 76 2HH1 ARG 76 14.629 -4.718 4.124 438 HH21 ARG 76 1HH2 ARG 76 11.662 -4.000 5.803 439 HH22 ARG 76 2HH2 ARG 76 13.367 -4.348 5.970 440 H GLY 77 H GLY 77 7.462 -8.998 1.665 441 HA2 GLY 77 1HA GLY 77 5.512 -9.629 2.790 442 HA3 GLY 77 2HA GLY 77 6.109 -8.854 4.279 443 H TYR 78 H TYR 78 6.300 -6.690 1.648 444 HA TYR 78 HA TYR 78 3.523 -5.803 1.875 445 HB2 TYR 78 1HB TYR 78 4.007 -3.587 2.453 446 HB3 TYR 78 2HB TYR 78 4.981 -4.533 3.553 447 HD1 TYR 78 1HD TYR 78 4.979 -2.333 0.580 448 HD2 TYR 78 2HD TYR 78 7.459 -4.291 3.530 449 HE1 TYR 78 1HE TYR 78 6.886 -0.861 -0.015 450 HE2 TYR 78 2HE TYR 78 9.294 -2.734 2.991 451 HH TYR 78 HH TYR 78 10.058 -1.047 1.619 452 H GLY 79 H GLY 79 2.801 -4.332 0.365 453 HA2 GLY 79 1HA GLY 79 4.263 -4.007 -2.208 454 HA3 GLY 79 2HA GLY 79 2.675 -4.778 -2.169 455 H PHE 80 H PHE 80 2.442 -2.909 -3.683 456 HA PHE 80 HA PHE 80 1.010 -0.748 -2.263 457 HB2 PHE 80 1HB PHE 80 3.156 -0.370 -4.366 458 HB3 PHE 80 2HB PHE 80 1.806 0.736 -4.298 459 HD1 PHE 80 2HD PHE 80 4.779 -0.500 -2.420 460 HD2 PHE 80 1HD PHE 80 1.580 2.408 -2.610 461 HE1 PHE 80 2HE PHE 80 5.894 0.878 -0.704 462 HE2 PHE 80 1HE PHE 80 2.704 3.752 -0.853 463 HZ PHE 80 HZ PHE 80 4.857 2.982 0.115 464 H VAL 81 H VAL 81 -0.736 0.045 -3.294 465 HA VAL 81 HA VAL 81 -1.412 -0.891 -6.025 466 HB VAL 81 HB VAL 81 -3.482 -0.898 -3.787 467 HG11 VAL 81 1HG1 VAL 81 -4.356 -0.367 -6.070 468 HG12 VAL 81 2HG1 VAL 81 -3.631 -1.863 -6.685 469 HG13 VAL 81 3HG1 VAL 81 -4.942 -1.929 -5.492 470 HG21 VAL 81 3HG2 VAL 81 -3.570 -3.373 -4.110 471 HG22 VAL 81 1HG2 VAL 81 -2.131 -3.272 -5.142 472 HG23 VAL 81 2HG2 VAL 81 -2.044 -2.825 -3.419 473 H THR 82 H THR 82 -2.049 0.817 -7.233 474 HA THR 82 HA THR 82 -2.906 3.364 -5.884 475 HB THR 82 HB THR 82 -1.470 3.015 -8.540 476 HG1 THR 82 1HG THR 82 0.222 3.997 -7.387 477 HG21 THR 82 3HG2 THR 82 -1.293 5.486 -8.490 478 HG22 THR 82 1HG2 THR 82 -2.978 4.988 -8.569 479 HG23 THR 82 2HG2 THR 82 -2.298 5.539 -7.021 480 H MET 83 H MET 83 -4.867 4.090 -6.418 481 HA MET 83 HA MET 83 -6.489 2.477 -8.342 482 HB2 MET 83 1HB MET 83 -7.449 4.385 -6.192 483 HB3 MET 83 2HB MET 83 -8.403 3.222 -7.096 484 HG2 MET 83 1HG MET 83 -6.256 2.603 -5.044 485 HG3 MET 83 2HG MET 83 -7.988 2.424 -4.837 486 HE1 MET 83 3HE MET 83 -8.904 -0.661 -6.977 487 HE2 MET 83 1HE MET 83 -9.456 0.567 -5.810 488 HE3 MET 83 2HE MET 83 -8.996 1.045 -7.462 489 H LYS 84 H LYS 84 -7.626 3.427 -10.044 490 HA LYS 84 HA LYS 84 -6.472 5.770 -11.218 491 HB2 LYS 84 1HB LYS 84 -9.007 4.221 -11.858 492 HB3 LYS 84 2HB LYS 84 -8.424 5.573 -12.817 493 HG2 LYS 84 1HG LYS 84 -6.202 4.263 -13.042 494 HG3 LYS 84 2HG LYS 84 -7.125 2.859 -12.465 495 HD2 LYS 84 1HD LYS 84 -8.754 3.223 -14.362 496 HD3 LYS 84 2HD LYS 84 -7.812 4.623 -14.861 497 HE2 LYS 84 1HE LYS 84 -7.135 2.959 -16.335 498 HE3 LYS 84 2HE LYS 84 -5.810 3.081 -15.178 499 HZ1 LYS 84 3HZ LYS 84 -6.449 0.775 -15.683 500 HZ2 LYS 84 1HZ LYS 84 -6.646 1.074 -14.096 501 HZ3 LYS 84 2HZ LYS 84 -7.952 1.017 -15.094 502 H ASP 85 H ASP 85 -9.058 5.588 -8.911 503 HA ASP 85 HA ASP 85 -9.350 8.509 -8.939 504 HB2 ASP 85 1HB ASP 85 -11.000 7.658 -10.640 505 HB3 ASP 85 2HB ASP 85 -11.783 6.731 -9.360 506 H ARG 86 H ARG 86 -10.341 9.366 -7.104 507 HA ARG 86 HA ARG 86 -9.778 8.102 -4.629 508 HB2 ARG 86 1HB ARG 86 -11.542 10.490 -5.293 509 HB3 ARG 86 2HB ARG 86 -11.151 9.977 -3.647 510 HG2 ARG 86 1HG ARG 86 -8.737 10.230 -4.113 511 HG3 ARG 86 2HG ARG 86 -9.092 10.838 -5.733 512 HD2 ARG 86 1HD ARG 86 -10.023 12.121 -3.129 513 HD3 ARG 86 2HD ARG 86 -8.610 12.630 -4.070 514 HE ARG 86 HE ARG 86 -10.765 12.669 -5.857 515 HH11 ARG 86 1HH1 ARG 86 -9.864 14.428 -2.922 516 HH12 ARG 86 2HH1 ARG 86 -10.743 15.850 -3.396 517 HH21 ARG 86 1HH2 ARG 86 -11.889 14.530 -6.401 518 HH22 ARG 86 2HH2 ARG 86 -11.869 15.905 -5.341 519 H ALA 87 H ALA 87 -12.805 8.040 -6.532 520 HA ALA 87 HA ALA 87 -14.456 6.973 -4.416 521 HB1 ALA 87 1HB ALA 87 -15.334 8.080 -6.446 522 HB2 ALA 87 2HB ALA 87 -14.712 6.749 -7.449 523 HB3 ALA 87 3HB ALA 87 -15.999 6.446 -6.265 524 H SER 88 H SER 88 -12.093 5.432 -6.528 525 HA SER 88 HA SER 88 -12.947 2.690 -5.740 526 HB2 SER 88 1HB SER 88 -10.544 3.665 -7.323 527 HB3 SER 88 2HB SER 88 -11.011 1.976 -7.056 528 HG SER 88 HG SER 88 -12.607 3.935 -8.402 529 H ALA 89 H ALA 89 -10.404 5.085 -4.935 530 HA ALA 89 HA ALA 89 -8.956 3.381 -3.124 531 HB1 ALA 89 1HB ALA 89 -8.068 5.439 -4.222 532 HB2 ALA 89 2HB ALA 89 -9.136 6.422 -3.196 533 HB3 ALA 89 3HB ALA 89 -7.853 5.445 -2.460 534 H GLU 90 H GLU 90 -11.634 5.717 -2.538 535 HA GLU 90 HA GLU 90 -11.809 5.414 0.264 536 HB2 GLU 90 1HB GLU 90 -13.778 6.038 -1.957 537 HB3 GLU 90 2HB GLU 90 -14.373 5.871 -0.318 538 HG2 GLU 90 1HG GLU 90 -12.063 7.719 -1.023 539 HG3 GLU 90 2HG GLU 90 -13.748 8.209 -1.133 540 H ARG 91 H ARG 91 -13.089 3.319 -2.311 541 HA ARG 91 HA ARG 91 -14.506 1.540 -0.484 542 HB2 ARG 91 1HB ARG 91 -13.634 1.330 -3.382 543 HB3 ARG 91 2HB ARG 91 -14.448 0.002 -2.539 544 HG2 ARG 91 1HG ARG 91 -16.403 1.343 -2.110 545 HG3 ARG 91 2HG ARG 91 -15.618 2.814 -2.710 546 HD2 ARG 91 1HD ARG 91 -15.535 1.929 -4.977 547 HD3 ARG 91 2HD ARG 91 -16.100 0.350 -4.427 548 HE ARG 91 HE ARG 91 -18.264 1.090 -4.416 549 HH11 ARG 91 1HH1 ARG 91 -16.247 4.009 -4.599 550 HH12 ARG 91 2HH1 ARG 91 -17.637 5.033 -4.841 551 HH21 ARG 91 1HH2 ARG 91 -19.975 2.473 -4.751 552 HH22 ARG 91 2HH2 ARG 91 -19.703 4.178 -4.943 553 H ALA 92 H ALA 92 -11.241 1.533 -1.947 554 HA ALA 92 HA ALA 92 -10.495 -1.049 -0.910 555 HB1 ALA 92 1HB ALA 92 -9.510 -0.004 -2.934 556 HB2 ALA 92 2HB ALA 92 -8.806 1.279 -1.930 557 HB3 ALA 92 3HB ALA 92 -8.266 -0.399 -1.736 558 H CYS 93 H CYS 93 -9.884 2.250 0.347 559 HA CYS 93 HA CYS 93 -8.134 1.359 2.444 560 HB2 CYS 93 1HB CYS 93 -8.077 3.657 3.080 561 HB3 CYS 93 2HB CYS 93 -8.243 3.658 1.311 562 HG CYS 93 HG CYS 93 -10.842 3.963 1.269 563 H LYS 94 H LYS 94 -11.541 1.223 2.283 564 HA LYS 94 HA LYS 94 -12.160 1.882 4.982 565 HB2 LYS 94 1HB LYS 94 -13.495 1.784 2.643 566 HB3 LYS 94 2HB LYS 94 -13.983 0.224 3.232 567 HG2 LYS 94 1HG LYS 94 -15.595 2.054 3.659 568 HG3 LYS 94 2HG LYS 94 -15.113 1.193 5.114 569 HD2 LYS 94 1HD LYS 94 -15.358 3.682 5.376 570 HD3 LYS 94 2HD LYS 94 -13.844 3.013 5.932 571 HE2 LYS 94 1HE LYS 94 -13.441 5.124 4.843 572 HE3 LYS 94 2HE LYS 94 -12.680 3.841 3.904 573 HZ1 LYS 94 3HZ LYS 94 -13.943 5.569 2.617 574 HZ2 LYS 94 1HZ LYS 94 -14.324 4.027 2.260 575 HZ3 LYS 94 2HZ LYS 94 -15.339 4.940 3.202 576 H ASP 95 H ASP 95 -11.093 -1.070 3.656 577 HA ASP 95 HA ASP 95 -11.593 -2.480 6.258 578 HB2 ASP 95 1HB ASP 95 -12.633 -3.608 4.376 579 HB3 ASP 95 2HB ASP 95 -11.080 -3.708 3.541 580 HA PRO 96 HA PRO 96 -7.151 -1.494 6.240 581 HB2 PRO 96 1HB PRO 96 -6.671 -1.506 8.914 582 HB3 PRO 96 2HB PRO 96 -7.584 -0.192 8.109 583 HG2 PRO 96 1HG PRO 96 -8.704 -2.613 9.564 584 HG3 PRO 96 2HG PRO 96 -9.156 -0.890 9.777 585 HD2 PRO 96 1HD PRO 96 -10.571 -2.591 8.167 586 HD3 PRO 96 2HD PRO 96 -10.363 -0.864 7.750 587 H ASN 97 H ASN 97 -8.722 -4.416 7.373 588 HA ASN 97 HA ASN 97 -6.155 -5.896 7.253 589 HB2 ASN 97 1HB ASN 97 -8.135 -6.176 9.531 590 HB3 ASN 97 2HB ASN 97 -6.721 -7.171 9.251 591 HD21 ASN 97 2HD2 ASN 97 -4.569 -5.702 8.939 592 HD22 ASN 97 1HD2 ASN 97 -4.383 -4.580 10.267 593 HA PRO 98 HA PRO 98 -9.522 -7.872 4.802 594 HB2 PRO 98 1HB PRO 98 -8.175 -8.198 2.446 595 HB3 PRO 98 2HB PRO 98 -8.922 -6.642 2.946 596 HG2 PRO 98 1HG PRO 98 -6.037 -7.537 3.234 597 HG3 PRO 98 2HG PRO 98 -6.653 -5.997 2.558 598 HD2 PRO 98 1HD PRO 98 -5.799 -6.217 5.134 599 HD3 PRO 98 2HD PRO 98 -7.201 -5.195 4.714 600 H ILE 99 H ILE 99 -6.406 -9.070 5.697 601 HA ILE 99 HA ILE 99 -5.525 -11.151 5.999 602 HB ILE 99 HB ILE 99 -8.252 -12.384 5.738 603 HG12 ILE 99 1HG1 ILE 99 -8.732 -10.536 7.175 604 HG13 ILE 99 2HG1 ILE 99 -8.639 -11.989 8.140 605 HG21 ILE 99 1HG2 ILE 99 -6.364 -13.927 6.053 606 HG22 ILE 99 2HG2 ILE 99 -5.805 -13.013 7.458 607 HG23 ILE 99 3HG2 ILE 99 -7.351 -13.884 7.511 608 HD11 ILE 99 3HD1 ILE 99 -7.607 -10.143 9.324 609 HD12 ILE 99 1HD1 ILE 99 -6.341 -11.310 8.904 610 HD13 ILE 99 2HD1 ILE 99 -6.528 -9.801 7.969 611 H ILE 100 H ILE 100 -4.810 -10.409 3.716 612 HA ILE 100 HA ILE 100 -5.848 -11.842 1.415 613 HB ILE 100 HB ILE 100 -3.424 -10.072 1.826 614 HG12 ILE 100 1HG1 ILE 100 -5.898 -9.648 0.087 615 HG13 ILE 100 2HG1 ILE 100 -5.898 -9.220 1.785 616 HG21 ILE 100 1HG2 ILE 100 -2.793 -11.643 0.043 617 HG22 ILE 100 2HG2 ILE 100 -4.349 -11.387 -0.775 618 HG23 ILE 100 3HG2 ILE 100 -3.155 -10.080 -0.672 619 HD11 ILE 100 3HD1 ILE 100 -5.425 -7.251 0.481 620 HD12 ILE 100 1HD1 ILE 100 -3.977 -7.676 1.414 621 HD13 ILE 100 2HD1 ILE 100 -4.059 -8.038 -0.325 622 H ASP 101 H ASP 101 -5.523 -13.791 0.850 623 HA ASP 101 HA ASP 101 -4.838 -15.878 0.649 624 HB2 ASP 101 1HB ASP 101 -2.858 -14.371 -0.392 625 HB3 ASP 101 2HB ASP 101 -1.922 -15.265 0.792 626 H GLY 102 H GLY 102 -5.160 -14.839 3.436 627 HA2 GLY 102 1HA GLY 102 -5.534 -16.203 5.307 628 HA3 GLY 102 2HA GLY 102 -4.293 -17.348 4.759 629 H ARG 103 H ARG 103 -3.660 -13.869 5.095 630 HA ARG 103 HA ARG 103 -2.484 -14.145 7.787 631 HB2 ARG 103 1HB ARG 103 -0.658 -14.895 6.302 632 HB3 ARG 103 2HB ARG 103 -0.852 -13.459 5.312 633 HG2 ARG 103 1HG ARG 103 1.106 -13.210 6.666 634 HG3 ARG 103 2HG ARG 103 -0.088 -12.035 7.206 635 HD2 ARG 103 1HD ARG 103 -0.654 -13.459 9.142 636 HD3 ARG 103 2HD ARG 103 0.458 -14.703 8.583 637 HE ARG 103 HE ARG 103 1.123 -12.140 9.891 638 HH11 ARG 103 1HH1 ARG 103 2.511 -14.825 8.032 639 HH12 ARG 103 2HH1 ARG 103 4.090 -14.576 8.711 640 HH21 ARG 103 1HH2 ARG 103 3.175 -11.938 10.768 641 HH22 ARG 103 2HH2 ARG 103 4.479 -12.852 10.123 642 H LYS 104 H LYS 104 -2.510 -12.209 8.910 643 HA LYS 104 HA LYS 104 -4.286 -10.216 7.952 644 HB2 LYS 104 1HB LYS 104 -4.018 -10.824 10.320 645 HB3 LYS 104 2HB LYS 104 -2.424 -10.049 10.340 646 HG2 LYS 104 1HG LYS 104 -3.504 -7.877 9.673 647 HG3 LYS 104 2HG LYS 104 -5.084 -8.660 9.710 648 HD2 LYS 104 1HD LYS 104 -3.200 -8.384 12.085 649 HD3 LYS 104 2HD LYS 104 -4.543 -7.290 11.713 650 HE2 LYS 104 1HE LYS 104 -6.154 -9.156 11.900 651 HE3 LYS 104 2HE LYS 104 -4.834 -10.276 12.277 652 HZ1 LYS 104 3HZ LYS 104 -5.930 -9.497 14.290 653 HZ2 LYS 104 1HZ LYS 104 -4.386 -8.968 14.279 654 HZ3 LYS 104 2HZ LYS 104 -5.608 -7.937 13.934 655 H ALA 105 H ALA 105 -3.834 -9.084 6.232 656 HA ALA 105 HA ALA 105 -1.341 -7.602 5.848 657 HB1 ALA 105 1HB ALA 105 -2.574 -8.574 3.931 658 HB2 ALA 105 2HB ALA 105 -3.977 -7.552 4.315 659 HB3 ALA 105 3HB ALA 105 -2.451 -6.811 3.798 660 H ASN 106 H ASN 106 -1.442 -5.238 5.537 661 HA ASN 106 HA ASN 106 -3.327 -3.824 7.377 662 HB2 ASN 106 1HB ASN 106 -0.324 -3.430 7.262 663 HB3 ASN 106 2HB ASN 106 -1.460 -2.568 8.297 664 HD21 ASN 106 2HD2 ASN 106 0.609 -5.275 8.098 665 HD22 ASN 106 1HD2 ASN 106 -0.064 -6.221 9.426 666 H VAL 107 H VAL 107 -4.454 -2.618 6.025 667 HA VAL 107 HA VAL 107 -3.219 -1.495 3.540 668 HB VAL 107 HB VAL 107 -6.120 -2.076 4.248 669 HG11 VAL 107 1HG1 VAL 107 -6.028 -0.182 2.665 670 HG12 VAL 107 2HG1 VAL 107 -4.896 -1.085 1.633 671 HG13 VAL 107 3HG1 VAL 107 -6.571 -1.636 1.827 672 HG21 VAL 107 3HG2 VAL 107 -5.932 -3.842 2.528 673 HG22 VAL 107 1HG2 VAL 107 -4.213 -3.461 2.327 674 HG23 VAL 107 2HG2 VAL 107 -4.800 -4.135 3.860 675 H ASN 108 H ASN 108 -2.899 0.609 3.375 676 HA ASN 108 HA ASN 108 -4.831 2.572 4.175 677 HB2 ASN 108 1HB ASN 108 -3.439 3.846 5.760 678 HB3 ASN 108 2HB ASN 108 -3.945 2.305 6.401 679 HD21 ASN 108 2HD2 ASN 108 -1.081 4.013 4.952 680 HD22 ASN 108 1HD2 ASN 108 0.052 3.062 5.888 681 H LEU 109 H LEU 109 -4.130 4.820 3.667 682 HA LEU 109 HA LEU 109 -2.918 5.066 1.103 683 HB2 LEU 109 1HB LEU 109 -3.364 7.112 3.311 684 HB3 LEU 109 2HB LEU 109 -2.871 7.525 1.675 685 HG LEU 109 HG LEU 109 -5.477 6.079 2.325 686 HD11 LEU 109 1HD1 LEU 109 -5.462 8.324 3.327 687 HD12 LEU 109 2HD1 LEU 109 -5.007 9.034 1.765 688 HD13 LEU 109 3HD1 LEU 109 -6.583 8.240 1.957 689 HD21 LEU 109 3HD2 LEU 109 -6.123 6.791 0.025 690 HD22 LEU 109 1HD2 LEU 109 -4.484 7.423 -0.232 691 HD23 LEU 109 2HD2 LEU 109 -4.747 5.684 0.011 692 H ALA 110 H ALA 110 -0.976 5.861 0.435 693 HA ALA 110 HA ALA 110 1.392 4.935 1.509 694 HB1 ALA 110 1HB ALA 110 1.052 5.634 -0.771 695 HB2 ALA 110 2HB ALA 110 0.979 7.345 -0.303 696 HB3 ALA 110 3HB ALA 110 2.498 6.426 -0.110 697 H TYR 111 H TYR 111 1.653 8.512 1.405 698 HA TYR 111 HA TYR 111 3.300 9.133 3.299 699 HB2 TYR 111 1HB TYR 111 2.475 11.264 3.217 700 HB3 TYR 111 2HB TYR 111 2.111 10.526 1.685 701 HD1 TYR 111 1HD TYR 111 -0.563 9.056 2.709 702 HD2 TYR 111 2HD TYR 111 0.985 13.075 3.001 703 HE1 TYR 111 1HE TYR 111 -2.861 9.924 2.813 704 HE2 TYR 111 2HE TYR 111 -1.333 13.954 3.079 705 HH TYR 111 HH TYR 111 -4.201 11.792 2.950 706 H LEU 112 H LEU 112 1.223 7.141 4.986 707 HA LEU 112 HA LEU 112 0.521 9.022 7.143 708 HB2 LEU 112 1HB LEU 112 -0.133 6.053 6.935 709 HB3 LEU 112 2HB LEU 112 -0.797 7.238 8.055 710 HG LEU 112 HG LEU 112 -1.317 6.890 5.108 711 HD11 LEU 112 1HD1 LEU 112 -2.672 5.655 6.816 712 HD12 LEU 112 2HD1 LEU 112 -3.222 7.217 7.453 713 HD13 LEU 112 3HD1 LEU 112 -3.631 6.748 5.788 714 HD21 LEU 112 3HD2 LEU 112 -2.687 8.925 5.118 715 HD22 LEU 112 1HD2 LEU 112 -1.980 9.365 6.700 716 HD23 LEU 112 2HD2 LEU 112 -0.952 9.212 5.251 717 H GLY 113 H GLY 113 1.691 5.665 7.470 718 HA2 GLY 113 1HA GLY 113 3.526 6.384 9.671 719 HA3 GLY 113 2HA GLY 113 3.147 4.756 9.048 720 H ALA 114 H ALA 114 3.891 6.999 6.608 721 HA ALA 114 HA ALA 114 6.179 5.572 5.700 722 HB1 ALA 114 1HB ALA 114 4.553 6.714 4.214 723 HB2 ALA 114 2HB ALA 114 5.040 8.290 4.890 724 HB3 ALA 114 3HB ALA 114 6.190 7.331 3.941 725 H LYS 115 H LYS 115 8.305 6.303 5.328 726 HA LYS 115 HA LYS 115 9.298 8.417 7.147 727 HB2 LYS 115 1HB LYS 115 11.061 7.059 7.956 728 HB3 LYS 115 2HB LYS 115 9.541 6.244 8.202 729 HG2 LYS 115 1HG LYS 115 10.966 4.551 7.603 730 HG3 LYS 115 2HG LYS 115 10.083 4.849 6.103 731 HD2 LYS 115 1HD LYS 115 11.994 5.824 5.061 732 HD3 LYS 115 2HD LYS 115 12.751 6.214 6.608 733 HE2 LYS 115 1HE LYS 115 13.975 4.431 5.571 734 HE3 LYS 115 2HE LYS 115 13.189 3.824 7.032 735 HZ1 LYS 115 3HZ LYS 115 12.989 2.336 5.070 736 HZ2 LYS 115 1HZ LYS 115 11.539 2.743 5.688 737 HZ3 LYS 115 2HZ LYS 115 12.078 3.471 4.305 738 HA PRO 116 HA PRO 116 11.315 9.955 3.621 739 HB2 PRO 116 1HB PRO 116 13.242 11.597 4.614 740 HB3 PRO 116 2HB PRO 116 11.495 11.887 4.884 741 HG2 PRO 116 1HG PRO 116 13.463 10.522 6.752 742 HG3 PRO 116 2HG PRO 116 12.305 11.836 7.136 743 HD2 PRO 116 1HD PRO 116 11.734 9.213 7.617 744 HD3 PRO 116 2HD PRO 116 10.472 10.367 7.088 745 H ARG 117 H ARG 117 12.877 9.612 2.166 746 HA ARG 117 HA ARG 117 15.594 8.750 2.804 747 HB2 ARG 117 1HB ARG 117 13.740 6.975 1.167 748 HB3 ARG 117 2HB ARG 117 15.500 6.950 1.030 749 HG2 ARG 117 1HG ARG 117 15.520 6.586 3.607 750 HG3 ARG 117 2HG ARG 117 13.814 6.137 3.413 751 HD2 ARG 117 1HD ARG 117 16.190 4.913 1.967 752 HD3 ARG 117 2HD ARG 117 15.375 4.196 3.362 753 HE ARG 117 HE ARG 117 13.263 4.271 1.873 754 HH11 ARG 117 1HH1 ARG 117 16.494 3.458 0.593 755 HH12 ARG 117 2HH1 ARG 117 15.801 2.585 -0.748 756 HH21 ARG 117 1HH2 ARG 117 12.514 3.177 0.108 757 HH22 ARG 117 2HH2 ARG 117 13.606 2.387 -1.001 758 H THR 118 H THR 118 17.027 9.274 1.141 759 HA THR 118 HA THR 118 16.046 10.681 -1.293 760 HB THR 118 HB THR 118 17.701 12.538 -0.790 761 HG1 THR 118 1HG THR 118 18.827 11.498 0.894 762 HG21 THR 118 3HG2 THR 118 16.204 13.809 0.615 763 HG22 THR 118 1HG2 THR 118 15.239 12.831 -0.503 764 HG23 THR 118 2HG2 THR 118 15.402 12.340 1.199 765 H ASN 119 H ASN 119 17.536 10.945 -2.907 766 HA ASN 119 HA ASN 119 20.251 10.027 -2.833 767 HB2 ASN 119 1HB ASN 119 19.189 7.789 -2.743 768 HB3 ASN 119 2HB ASN 119 18.263 8.151 -4.196 769 HD21 ASN 119 2HD2 ASN 119 21.578 7.632 -2.922 770 HD22 ASN 119 1HD2 ASN 119 22.268 7.206 -4.480 771 H VAL 120 H VAL 120 17.443 10.337 -5.048 772 HA VAL 120 HA VAL 120 18.738 12.562 -6.474 773 HB VAL 120 HB VAL 120 18.007 11.670 -8.698 774 HG11 VAL 120 1HG1 VAL 120 20.387 11.671 -8.010 775 HG12 VAL 120 2HG1 VAL 120 20.203 10.000 -7.427 776 HG13 VAL 120 3HG1 VAL 120 19.987 10.372 -9.145 777 HG21 VAL 120 3HG2 VAL 120 17.755 9.258 -9.057 778 HG22 VAL 120 1HG2 VAL 120 17.857 8.955 -7.313 779 HG23 VAL 120 2HG2 VAL 120 16.482 9.858 -7.989 780 H GLN 121 H GLN 121 17.267 13.955 -7.469 781 HA GLN 121 HA GLN 121 14.353 13.548 -7.151 782 HB2 GLN 121 1HB GLN 121 15.901 15.804 -5.801 783 HB3 GLN 121 2HB GLN 121 14.149 15.761 -6.007 784 HG2 GLN 121 1HG GLN 121 14.077 13.633 -4.678 785 HG3 GLN 121 2HG GLN 121 15.800 13.816 -4.339 786 HE21 GLN 121 2HE2 GLN 121 13.116 14.042 -2.658 787 HE22 GLN 121 1HE2 GLN 121 13.426 15.504 -1.731 788 H5' G 7 H5' G 7 5.275 -9.364 12.407 789 H5'' G 7 H5" G 7 4.757 -10.023 10.854 790 H4' G 7 H4' G 7 6.787 -11.358 12.711 791 H3' G 7 H3' G 7 7.026 -9.433 10.426 792 H2' G 7 H2' G 7 8.106 -10.877 9.046 793 HO2' G 7 2HO G 7 9.824 -10.789 11.010 794 H1' G 7 H1' G 7 7.986 -13.201 10.875 795 H8 G 7 8H G 7 7.986 -15.174 9.331 796 H1 G 7 1H G 7 4.499 -12.158 4.816 797 H21 G 7 1H2 G 7 4.138 -10.125 5.410 798 H22 G 7 2H2 G 7 4.757 -9.487 6.940 799 HO5' G 7 H5T G 7 4.335 -11.172 13.450 800 H5' U 8 H5' U 8 8.024 -7.179 10.277 801 H5'' U 8 H5" U 8 9.058 -6.415 11.490 802 H4' U 8 H4' U 8 7.945 -4.671 10.350 803 H3' U 8 H3' U 8 7.675 -4.961 13.127 804 H2' U 8 H2' U 8 5.499 -5.761 13.039 805 HO2' U 8 2HO U 8 5.453 -2.949 13.214 806 H1' U 8 H1' U 8 4.880 -3.842 10.761 807 H3 U 8 3H U 8 0.572 -5.230 11.663 808 H5 U 8 5H U 8 2.708 -8.819 11.581 809 H6 U 8 6H U 8 4.772 -7.533 11.146 810 H5' G 9 H5' G 9 9.108 -0.974 9.749 811 H5'' G 9 H5" G 9 7.707 -2.051 9.815 812 H4' G 9 H4' G 9 10.282 -2.702 8.317 813 H3' G 9 H3' G 9 7.753 -1.306 7.469 814 H2' G 9 H2' G 9 7.787 -2.454 5.390 815 HO2' G 9 2HO G 9 10.264 -2.145 5.445 816 H1' G 9 H1' G 9 8.662 -4.887 6.375 817 H8 G 9 8H G 9 6.615 -6.167 5.691 818 H1 G 9 1H G 9 2.519 -2.017 8.419 819 H21 G 9 1H2 G 9 3.703 -0.336 9.360 820 H22 G 9 2H2 G 9 5.451 -0.326 9.200 821 H5' U 10 H5' U 10 7.772 -0.442 4.097 822 H5'' U 10 H5" U 10 9.420 0.172 4.231 823 H4' U 10 H4' U 10 8.432 1.176 2.317 824 H3' U 10 H3' U 10 9.499 2.771 4.341 825 H2' U 10 H2' U 10 7.500 3.514 5.251 826 HO2' U 10 2HO U 10 8.235 5.113 3.063 827 H1' U 10 H1' U 10 6.160 3.612 2.554 828 H3 U 10 3H U 10 2.079 4.500 4.354 829 H5 U 10 5H U 10 3.937 2.269 7.364 830 H6 U 10 6H U 10 5.899 2.010 5.938 831 H5' G 11 H5' G 11 9.860 4.049 -1.384 832 H5'' G 11 H5" G 11 8.777 3.777 -0.029 833 H4' G 11 H4' G 11 9.810 1.334 -0.053 834 H3' G 11 H3' G 11 11.080 2.404 -2.354 835 H2' G 11 H2' G 11 9.432 2.252 -3.848 836 HO2' G 11 2HO G 11 10.605 0.035 -4.027 837 H1' G 11 H1' G 11 7.626 0.261 -2.452 838 H8 G 11 8H G 11 6.747 3.671 -1.816 839 H1 G 11 1H G 11 4.668 2.012 -7.691 840 H21 G 11 1H2 G 11 5.676 0.253 -8.335 841 H22 G 11 2H2 G 11 6.876 -0.572 -7.329 842 H5' C 12 H5' C 12 12.123 -2.584 -2.537 843 H5'' C 12 H5" C 12 11.832 -2.166 -0.841 844 H4' C 12 H4' C 12 12.920 -4.301 -0.898 845 H3' C 12 H3' C 12 13.935 -2.313 0.665 846 HO3' C 12 H3T C 12 15.715 -4.191 0.881 847 H2' C 12 H2' C 12 15.514 -1.407 -0.786 848 HO2' C 12 2HO C 12 17.598 -2.343 -0.397 849 H1' C 12 H1' C 12 16.453 -3.963 -1.978 850 H41 C 12 1H4 C 12 17.920 0.802 -5.941 851 H42 C 12 2H4 C 12 16.396 0.558 -6.797 852 H5 C 12 5H C 12 14.703 -0.975 -5.970 853 H6 C 12 6H C 12 14.134 -2.514 -4.193 Start of MODEL 19 1 H1 GLY 19 1H GLY 19 -7.432 31.829 1.349 2 H2 GLY 19 2H GLY 19 -7.691 32.094 -0.246 3 H3 GLY 19 3H GLY 19 -8.778 32.625 0.860 4 HA2 GLY 19 1HA GLY 19 -9.334 30.368 1.490 5 HA3 GLY 19 2HA GLY 19 -9.636 30.669 -0.232 6 H SER 20 H SER 20 -9.142 28.092 1.051 7 HA SER 20 HA SER 20 -6.487 27.198 0.852 8 HB2 SER 20 1HB SER 20 -9.005 25.538 0.494 9 HB3 SER 20 2HB SER 20 -7.414 24.972 1.036 10 HG SER 20 HG SER 20 -8.852 25.333 2.807 11 H THR 21 H THR 21 -8.648 27.762 -1.806 12 HA THR 21 HA THR 21 -7.561 25.987 -3.776 13 HB THR 21 HB THR 21 -8.466 27.724 -5.387 14 HG1 THR 21 1HG THR 21 -9.676 29.388 -4.432 15 HG21 THR 21 3HG2 THR 21 -10.815 27.267 -4.852 16 HG22 THR 21 1HG2 THR 21 -9.838 25.815 -4.586 17 HG23 THR 21 2HG2 THR 21 -10.382 26.783 -3.198 18 H ASN 22 H ASN 22 -6.225 28.872 -2.340 19 HA ASN 22 HA ASN 22 -4.341 29.567 -4.351 20 HB2 ASN 22 1HB ASN 22 -4.977 30.928 -2.354 21 HB3 ASN 22 2HB ASN 22 -4.117 29.785 -1.323 22 HD21 ASN 22 2HD2 ASN 22 -2.149 30.654 -0.699 23 HD22 ASN 22 1HD2 ASN 22 -1.124 31.624 -1.740 24 H ALA 23 H ALA 23 -4.409 26.740 -2.295 25 HA ALA 23 HA ALA 23 -1.559 26.086 -2.661 26 HB1 ALA 23 1HB ALA 23 -2.810 25.501 -0.592 27 HB2 ALA 23 2HB ALA 23 -3.875 24.443 -1.548 28 HB3 ALA 23 3HB ALA 23 -2.146 24.072 -1.405 29 H GLU 24 H GLU 24 -4.183 25.981 -4.731 30 HA GLU 24 HA GLU 24 -4.676 25.047 -6.696 31 HB2 GLU 24 1HB GLU 24 -1.718 24.375 -6.824 32 HB3 GLU 24 2HB GLU 24 -2.864 24.323 -8.169 33 HG2 GLU 24 1HG GLU 24 -3.344 26.751 -7.835 34 HG3 GLU 24 2HG GLU 24 -2.121 26.805 -6.562 35 HA PRO 25 HA PRO 25 -5.381 20.820 -4.906 36 HB2 PRO 25 1HB PRO 25 -8.068 21.540 -6.088 37 HB3 PRO 25 2HB PRO 25 -7.702 20.641 -4.582 38 HG2 PRO 25 1HG PRO 25 -8.441 23.242 -4.464 39 HG3 PRO 25 2HG PRO 25 -7.080 22.657 -3.448 40 HD2 PRO 25 1HD PRO 25 -6.949 24.120 -6.102 41 HD3 PRO 25 2HD PRO 25 -6.029 24.412 -4.595 42 H VAL 26 H VAL 26 -5.334 18.902 -6.069 43 HA VAL 26 HA VAL 26 -5.985 18.660 -8.875 44 HB VAL 26 HB VAL 26 -3.833 20.038 -8.859 45 HG11 VAL 26 1HG1 VAL 26 -2.671 18.809 -7.007 46 HG12 VAL 26 2HG1 VAL 26 -2.481 17.424 -8.109 47 HG13 VAL 26 3HG1 VAL 26 -1.710 18.972 -8.486 48 HG21 VAL 26 3HG2 VAL 26 -2.888 18.979 -10.763 49 HG22 VAL 26 1HG2 VAL 26 -3.591 17.409 -10.350 50 HG23 VAL 26 2HG2 VAL 26 -4.642 18.761 -10.835 51 H VAL 27 H VAL 27 -5.379 16.483 -9.723 52 HA VAL 27 HA VAL 27 -4.767 14.353 -7.796 53 HB VAL 27 HB VAL 27 -7.082 14.578 -7.300 54 HG11 VAL 27 1HG1 VAL 27 -7.905 15.889 -9.211 55 HG12 VAL 27 2HG1 VAL 27 -7.734 14.477 -10.277 56 HG13 VAL 27 3HG1 VAL 27 -8.907 14.462 -8.948 57 HG21 VAL 27 3HG2 VAL 27 -7.974 12.423 -7.824 58 HG22 VAL 27 1HG2 VAL 27 -6.989 12.279 -9.290 59 HG23 VAL 27 2HG2 VAL 27 -6.215 12.230 -7.699 60 H GLY 28 H GLY 28 -3.903 12.588 -8.749 61 HA2 GLY 28 1HA GLY 28 -3.666 10.964 -10.500 62 HA3 GLY 28 2HA GLY 28 -4.104 12.185 -11.711 63 H SER 29 H SER 29 -2.414 12.852 -12.885 64 HA SER 29 HA SER 29 0.212 11.984 -12.487 65 HB2 SER 29 1HB SER 29 -0.684 14.322 -14.206 66 HB3 SER 29 2HB SER 29 0.751 13.309 -14.439 67 HG SER 29 HG SER 29 -0.985 12.661 -15.811 68 H ARG 30 H ARG 30 -1.145 14.595 -10.813 69 HA ARG 30 HA ARG 30 1.545 15.716 -10.142 70 HB2 ARG 30 1HB ARG 30 -1.075 17.217 -10.475 71 HB3 ARG 30 2HB ARG 30 0.427 17.921 -9.864 72 HG2 ARG 30 1HG ARG 30 1.557 17.383 -12.016 73 HG3 ARG 30 2HG ARG 30 0.023 16.756 -12.654 74 HD2 ARG 30 1HD ARG 30 -1.029 18.966 -12.324 75 HD3 ARG 30 2HD ARG 30 0.507 19.605 -11.695 76 HE ARG 30 HE ARG 30 1.042 18.463 -14.218 77 HH11 ARG 30 1HH1 ARG 30 -0.801 21.226 -12.998 78 HH12 ARG 30 2HH1 ARG 30 -0.621 22.116 -14.479 79 HH21 ARG 30 1HH2 ARG 30 1.237 19.664 -16.100 80 HH22 ARG 30 2HH2 ARG 30 0.521 21.244 -16.209 81 H ASP 31 H ASP 31 -0.881 13.906 -8.821 82 HA ASP 31 HA ASP 31 0.003 14.308 -6.121 83 HB2 ASP 31 1HB ASP 31 -1.460 16.297 -6.217 84 HB3 ASP 31 2HB ASP 31 -2.799 15.281 -6.763 85 H THR 32 H THR 32 -0.200 12.435 -5.102 86 HA THR 32 HA THR 32 -2.333 10.492 -5.866 87 HB THR 32 HB THR 32 -0.632 8.718 -5.680 88 HG1 THR 32 1HG THR 32 1.565 9.424 -5.675 89 HG21 THR 32 3HG2 THR 32 0.445 9.120 -7.815 90 HG22 THR 32 1HG2 THR 32 -1.204 9.765 -7.886 91 HG23 THR 32 2HG2 THR 32 0.167 10.871 -7.692 92 H MET 33 H MET 33 -1.633 12.348 -3.358 93 HA MET 33 HA MET 33 -1.034 10.711 -1.161 94 HB2 MET 33 1HB MET 33 -0.958 13.159 -1.168 95 HB3 MET 33 2HB MET 33 -2.720 13.249 -1.280 96 HG2 MET 33 1HG MET 33 -2.985 12.262 0.912 97 HG3 MET 33 2HG MET 33 -1.270 11.886 1.022 98 HE1 MET 33 3HE MET 33 0.456 15.152 1.917 99 HE2 MET 33 1HE MET 33 0.518 13.378 1.922 100 HE3 MET 33 2HE MET 33 0.439 14.265 0.381 101 H PHE 34 H PHE 34 -4.163 11.128 -2.709 102 HA PHE 34 HA PHE 34 -5.421 9.297 -0.707 103 HB2 PHE 34 1HB PHE 34 -6.717 11.379 -2.446 104 HB3 PHE 34 2HB PHE 34 -7.547 10.396 -1.263 105 HD1 PHE 34 1HD PHE 34 -6.904 10.717 1.225 106 HD2 PHE 34 2HD PHE 34 -5.737 13.443 -1.898 107 HE1 PHE 34 1HE PHE 34 -6.402 12.454 2.928 108 HE2 PHE 34 2HE PHE 34 -5.216 15.176 -0.194 109 HZ PHE 34 HZ PHE 34 -5.543 14.680 2.223 110 H THR 35 H THR 35 -3.931 8.765 -3.433 111 HA THR 35 HA THR 35 -5.926 6.751 -4.371 112 HB THR 35 HB THR 35 -4.773 7.119 -6.706 113 HG1 THR 35 1HG THR 35 -4.130 9.156 -7.066 114 HG21 THR 35 3HG2 THR 35 -6.583 8.667 -7.331 115 HG22 THR 35 1HG2 THR 35 -7.166 7.359 -6.289 116 HG23 THR 35 2HG2 THR 35 -6.902 8.981 -5.608 117 H LYS 36 H LYS 36 -2.573 7.450 -3.651 118 HA LYS 36 HA LYS 36 -1.731 4.737 -4.442 119 HB2 LYS 36 1HB LYS 36 -0.276 6.691 -4.804 120 HB3 LYS 36 2HB LYS 36 -0.241 7.005 -3.061 121 HG2 LYS 36 1HG LYS 36 0.858 4.794 -2.704 122 HG3 LYS 36 2HG LYS 36 0.790 4.481 -4.447 123 HD2 LYS 36 1HD LYS 36 2.237 6.425 -4.879 124 HD3 LYS 36 2HD LYS 36 2.245 6.831 -3.147 125 HE2 LYS 36 1HE LYS 36 3.311 4.649 -2.638 126 HE3 LYS 36 2HE LYS 36 3.300 4.227 -4.354 127 HZ1 LYS 36 3HZ LYS 36 5.435 5.098 -3.606 128 HZ2 LYS 36 1HZ LYS 36 4.802 6.049 -4.776 129 HZ3 LYS 36 2HZ LYS 36 4.766 6.539 -3.206 130 H ILE 37 H ILE 37 -1.545 3.057 -3.137 131 HA ILE 37 HA ILE 37 -2.244 3.246 -0.229 132 HB ILE 37 HB ILE 37 -3.128 1.075 -2.166 133 HG12 ILE 37 1HG1 ILE 37 -4.776 3.485 -1.301 134 HG13 ILE 37 2HG1 ILE 37 -4.181 3.172 -2.934 135 HG21 ILE 37 1HG2 ILE 37 -3.008 0.593 0.322 136 HG22 ILE 37 2HG2 ILE 37 -4.248 1.844 0.554 137 HG23 ILE 37 3HG2 ILE 37 -4.598 0.381 -0.391 138 HD11 ILE 37 3HD1 ILE 37 -6.486 2.573 -2.856 139 HD12 ILE 37 1HD1 ILE 37 -5.533 1.088 -3.036 140 HD13 ILE 37 2HD1 ILE 37 -6.248 1.520 -1.458 141 H PHE 38 H PHE 38 -0.767 2.374 1.032 142 HA PHE 38 HA PHE 38 1.259 0.425 0.065 143 HB2 PHE 38 1HB PHE 38 2.187 2.165 1.428 144 HB3 PHE 38 2HB PHE 38 0.868 2.085 2.574 145 HD1 PHE 38 1HD PHE 38 0.727 0.419 4.273 146 HD2 PHE 38 2HD PHE 38 4.101 0.459 1.554 147 HE1 PHE 38 1HE PHE 38 1.920 -1.219 5.719 148 HE2 PHE 38 2HE PHE 38 5.312 -1.035 3.096 149 HZ PHE 38 HZ PHE 38 4.229 -1.978 5.085 150 H VAL 39 H VAL 39 1.147 -1.716 0.652 151 HA VAL 39 HA VAL 39 -1.067 -2.627 2.449 152 HB VAL 39 HB VAL 39 -0.541 -3.795 -0.318 153 HG11 VAL 39 1HG1 VAL 39 -1.229 -5.588 1.073 154 HG12 VAL 39 2HG1 VAL 39 -2.327 -4.581 2.016 155 HG13 VAL 39 3HG1 VAL 39 -2.748 -5.039 0.355 156 HG21 VAL 39 3HG2 VAL 39 -2.782 -3.011 -0.898 157 HG22 VAL 39 1HG2 VAL 39 -2.912 -2.167 0.666 158 HG23 VAL 39 2HG2 VAL 39 -1.715 -1.660 -0.548 159 H GLY 40 H GLY 40 0.379 -3.160 4.052 160 HA2 GLY 40 1HA GLY 40 2.402 -5.296 3.438 161 HA3 GLY 40 2HA GLY 40 2.470 -4.276 4.849 162 H GLY 41 H GLY 41 2.771 -6.596 5.630 163 HA2 GLY 41 1HA GLY 41 1.966 -8.329 6.931 164 HA3 GLY 41 2HA GLY 41 0.340 -7.597 6.870 165 H LEU 42 H LEU 42 1.879 -8.279 3.863 166 HA LEU 42 HA LEU 42 -0.027 -10.388 3.122 167 HB2 LEU 42 1HB LEU 42 2.412 -9.224 1.689 168 HB3 LEU 42 2HB LEU 42 1.243 -10.322 0.970 169 HG LEU 42 HG LEU 42 0.619 -7.491 1.936 170 HD11 LEU 42 1HD1 LEU 42 2.097 -7.547 -0.049 171 HD12 LEU 42 2HD1 LEU 42 0.938 -8.596 -0.889 172 HD13 LEU 42 3HD1 LEU 42 0.486 -6.934 -0.450 173 HD21 LEU 42 3HD2 LEU 42 -1.528 -7.855 0.669 174 HD22 LEU 42 1HD2 LEU 42 -1.077 -9.558 0.467 175 HD23 LEU 42 2HD2 LEU 42 -1.375 -8.894 2.089 176 HA PRO 43 HA PRO 43 2.946 -13.630 4.191 177 HB2 PRO 43 1HB PRO 43 2.004 -15.749 2.818 178 HB3 PRO 43 2HB PRO 43 1.132 -15.077 4.226 179 HG2 PRO 43 1HG PRO 43 0.607 -14.554 1.294 180 HG3 PRO 43 2HG PRO 43 -0.579 -14.944 2.574 181 HD2 PRO 43 1HD PRO 43 -0.061 -12.364 1.758 182 HD3 PRO 43 2HD PRO 43 -0.546 -12.772 3.420 183 H TYR 44 H TYR 44 4.805 -14.577 3.183 184 HA TYR 44 HA TYR 44 5.859 -12.994 1.106 185 HB2 TYR 44 1HB TYR 44 6.830 -15.651 2.200 186 HB3 TYR 44 2HB TYR 44 7.795 -14.579 1.207 187 HD1 TYR 44 2HD TYR 44 6.833 -11.908 2.668 188 HD2 TYR 44 1HD TYR 44 8.413 -15.697 3.996 189 HE1 TYR 44 2HE TYR 44 7.795 -10.805 4.663 190 HE2 TYR 44 1HE TYR 44 9.386 -14.584 5.994 191 HH TYR 44 HH TYR 44 9.033 -11.060 6.582 192 H HIS 45 H HIS 45 3.814 -15.664 0.555 193 HA HIS 45 HA HIS 45 4.960 -16.234 -2.116 194 HB2 HIS 45 1HB HIS 45 3.523 -18.111 -2.183 195 HB3 HIS 45 2HB HIS 45 4.277 -18.070 -0.596 196 HD2 HIS 45 2HD HIS 45 0.891 -17.753 -2.353 197 HE1 HIS 45 1HE HIS 45 0.044 -17.486 1.802 198 HE2 HIS 45 2HE HIS 45 -0.981 -17.612 -0.522 199 H THR 46 H THR 46 2.761 -13.933 -0.973 200 HA THR 46 HA THR 46 0.847 -13.837 -3.134 201 HB THR 46 HB THR 46 1.863 -11.594 -1.335 202 HG1 THR 46 1HG THR 46 -0.110 -13.610 -1.108 203 HG21 THR 46 3HG2 THR 46 -0.344 -10.579 -1.682 204 HG22 THR 46 1HG2 THR 46 0.473 -10.742 -3.237 205 HG23 THR 46 2HG2 THR 46 -0.810 -11.888 -2.780 206 H SER 47 H SER 47 0.886 -12.766 -5.085 207 HA SER 47 HA SER 47 3.485 -11.525 -5.941 208 HB2 SER 47 1HB SER 47 1.457 -13.088 -7.581 209 HB3 SER 47 2HB SER 47 2.900 -12.285 -8.212 210 HG SER 47 HG SER 47 2.856 -14.412 -6.302 211 H ASP 48 H ASP 48 3.215 -10.010 -7.845 212 HA ASP 48 HA ASP 48 1.605 -7.778 -7.154 213 HB2 ASP 48 1HB ASP 48 2.361 -6.876 -9.294 214 HB3 ASP 48 2HB ASP 48 3.689 -7.604 -8.398 215 H LYS 49 H LYS 49 0.980 -10.436 -9.464 216 HA LYS 49 HA LYS 49 -1.485 -9.308 -10.479 217 HB2 LYS 49 1HB LYS 49 -0.054 -11.048 -11.613 218 HB3 LYS 49 2HB LYS 49 -0.606 -12.224 -10.409 219 HG2 LYS 49 1HG LYS 49 -2.971 -11.828 -11.161 220 HG3 LYS 49 2HG LYS 49 -2.387 -10.632 -12.320 221 HD2 LYS 49 1HD LYS 49 -2.827 -12.678 -13.494 222 HD3 LYS 49 2HD LYS 49 -1.075 -12.421 -13.475 223 HE2 LYS 49 1HE LYS 49 -0.859 -14.035 -11.593 224 HE3 LYS 49 2HE LYS 49 -2.615 -14.241 -11.557 225 HZ1 LYS 49 3HZ LYS 49 -1.536 -16.021 -12.798 226 HZ2 LYS 49 1HZ LYS 49 -2.486 -15.158 -13.807 227 HZ3 LYS 49 2HZ LYS 49 -0.861 -14.962 -13.844 228 H THR 50 H THR 50 -0.743 -11.539 -7.785 229 HA THR 50 HA THR 50 -3.387 -12.238 -6.999 230 HB THR 50 HB THR 50 -1.129 -11.757 -5.036 231 HG1 THR 50 1HG THR 50 -1.399 -14.026 -6.713 232 HG21 THR 50 3HG2 THR 50 -2.023 -13.824 -3.998 233 HG22 THR 50 1HG2 THR 50 -3.248 -12.549 -4.088 234 HG23 THR 50 2HG2 THR 50 -3.289 -13.899 -5.243 235 H LEU 51 H LEU 51 -1.296 -9.505 -5.997 236 HA LEU 51 HA LEU 51 -3.325 -8.381 -4.294 237 HB2 LEU 51 1HB LEU 51 -0.804 -8.101 -4.056 238 HB3 LEU 51 2HB LEU 51 -0.838 -7.075 -5.488 239 HG LEU 51 HG LEU 51 -2.415 -5.516 -4.240 240 HD11 LEU 51 1HD1 LEU 51 -3.290 -7.063 -2.533 241 HD12 LEU 51 2HD1 LEU 51 -1.657 -7.263 -1.856 242 HD13 LEU 51 3HD1 LEU 51 -2.480 -5.689 -1.782 243 HD21 LEU 51 3HD2 LEU 51 -0.609 -4.542 -2.839 244 HD22 LEU 51 1HD2 LEU 51 0.336 -6.028 -3.045 245 HD23 LEU 51 2HD2 LEU 51 -0.058 -5.011 -4.454 246 H HIS 52 H HIS 52 -2.448 -7.727 -7.697 247 HA HIS 52 HA HIS 52 -4.205 -5.493 -8.049 248 HB2 HIS 52 1HB HIS 52 -2.512 -6.204 -9.738 249 HB3 HIS 52 2HB HIS 52 -3.404 -7.687 -10.010 250 HD2 HIS 52 2HD HIS 52 -3.697 -3.869 -10.664 251 HE1 HIS 52 1HE HIS 52 -6.634 -5.800 -13.064 252 HE2 HIS 52 2HE HIS 52 -5.477 -3.585 -12.574 253 H GLU 53 H GLU 53 -4.757 -9.008 -8.184 254 HA GLU 53 HA GLU 53 -7.452 -8.889 -9.194 255 HB2 GLU 53 1HB GLU 53 -5.765 -11.018 -7.860 256 HB3 GLU 53 2HB GLU 53 -7.485 -11.295 -8.181 257 HG2 GLU 53 1HG GLU 53 -7.130 -10.790 -10.582 258 HG3 GLU 53 2HG GLU 53 -5.403 -10.601 -10.295 259 H TYR 54 H TYR 54 -6.161 -9.148 -5.824 260 HA TYR 54 HA TYR 54 -8.737 -9.397 -4.622 261 HB2 TYR 54 1HB TYR 54 -6.495 -9.915 -3.573 262 HB3 TYR 54 2HB TYR 54 -6.260 -8.184 -3.345 263 HD1 TYR 54 2HD TYR 54 -8.256 -11.151 -2.392 264 HD2 TYR 54 1HD TYR 54 -7.607 -6.950 -1.655 265 HE1 TYR 54 2HE TYR 54 -9.741 -11.277 -0.407 266 HE2 TYR 54 1HE TYR 54 -9.100 -7.070 0.332 267 HH TYR 54 HH TYR 54 -10.757 -10.116 1.290 268 H PHE 55 H PHE 55 -6.960 -6.500 -5.634 269 HA PHE 55 HA PHE 55 -8.741 -4.714 -4.177 270 HB2 PHE 55 1HB PHE 55 -6.259 -4.388 -5.829 271 HB3 PHE 55 2HB PHE 55 -7.300 -2.997 -5.604 272 HD1 PHE 55 2HD PHE 55 -5.782 -5.757 -3.492 273 HD2 PHE 55 1HD PHE 55 -6.927 -1.606 -3.779 274 HE1 PHE 55 2HE PHE 55 -4.949 -5.362 -1.197 275 HE2 PHE 55 1HE PHE 55 -6.072 -1.220 -1.487 276 HZ PHE 55 HZ PHE 55 -5.124 -3.106 -0.177 277 H GLU 56 H GLU 56 -9.200 -6.244 -7.186 278 HA GLU 56 HA GLU 56 -10.457 -4.094 -8.596 279 HB2 GLU 56 1HB GLU 56 -11.050 -7.066 -8.815 280 HB3 GLU 56 2HB GLU 56 -11.530 -5.800 -9.958 281 HG2 GLU 56 1HG GLU 56 -9.062 -5.279 -10.242 282 HG3 GLU 56 2HG GLU 56 -8.742 -6.795 -9.385 283 H GLN 57 H GLN 57 -11.596 -5.891 -5.868 284 HA GLN 57 HA GLN 57 -14.429 -5.394 -6.224 285 HB2 GLN 57 1HB GLN 57 -14.690 -6.250 -4.032 286 HB3 GLN 57 2HB GLN 57 -13.401 -7.193 -4.780 287 HG2 GLN 57 1HG GLN 57 -11.736 -5.657 -3.567 288 HG3 GLN 57 2HG GLN 57 -13.112 -4.958 -2.721 289 HE21 GLN 57 2HE2 GLN 57 -10.819 -7.511 -2.669 290 HE22 GLN 57 1HE2 GLN 57 -11.569 -8.419 -1.359 291 H PHE 58 H PHE 58 -11.835 -3.291 -5.319 292 HA PHE 58 HA PHE 58 -13.616 -1.401 -3.883 293 HB2 PHE 58 1HB PHE 58 -10.629 -1.267 -4.386 294 HB3 PHE 58 2HB PHE 58 -11.554 -0.271 -3.280 295 HD1 PHE 58 2HD PHE 58 -13.164 -2.009 -1.649 296 HD2 PHE 58 1HD PHE 58 -9.216 -2.693 -3.229 297 HE1 PHE 58 2HE PHE 58 -12.696 -3.596 0.198 298 HE2 PHE 58 1HE PHE 58 -8.750 -4.290 -1.386 299 HZ PHE 58 HZ PHE 58 -10.495 -4.746 0.332 300 H GLY 59 H GLY 59 -12.437 -1.907 -7.070 301 HA2 GLY 59 1HA GLY 59 -13.740 -0.397 -8.668 302 HA3 GLY 59 2HA GLY 59 -12.897 0.937 -7.880 303 H ASP 60 H ASP 60 -12.104 1.442 -9.956 304 HA ASP 60 HA ASP 60 -10.496 -0.361 -11.533 305 HB2 ASP 60 1HB ASP 60 -11.007 2.633 -11.714 306 HB3 ASP 60 2HB ASP 60 -10.160 1.666 -12.922 307 H ILE 61 H ILE 61 -8.333 -0.440 -11.844 308 HA ILE 61 HA ILE 61 -6.607 0.755 -9.699 309 HB ILE 61 HB ILE 61 -6.307 -1.912 -11.093 310 HG12 ILE 61 1HG1 ILE 61 -7.363 -1.397 -8.272 311 HG13 ILE 61 2HG1 ILE 61 -8.381 -1.825 -9.645 312 HG21 ILE 61 1HG2 ILE 61 -4.189 -0.980 -10.235 313 HG22 ILE 61 2HG2 ILE 61 -4.933 -0.694 -8.648 314 HG23 ILE 61 3HG2 ILE 61 -4.670 -2.340 -9.240 315 HD11 ILE 61 3HD1 ILE 61 -8.051 -3.820 -8.489 316 HD12 ILE 61 1HD1 ILE 61 -7.048 -3.942 -9.927 317 HD13 ILE 61 2HD1 ILE 61 -6.302 -3.588 -8.345 318 H GLU 62 H GLU 62 -4.808 1.865 -10.290 319 HA GLU 62 HA GLU 62 -4.122 2.374 -13.105 320 HB2 GLU 62 1HB GLU 62 -3.168 3.332 -10.403 321 HB3 GLU 62 2HB GLU 62 -2.089 3.504 -11.771 322 HG2 GLU 62 1HG GLU 62 -4.910 4.584 -11.808 323 HG3 GLU 62 2HG GLU 62 -3.556 5.491 -11.154 324 H GLU 63 H GLU 63 -2.642 0.767 -10.266 325 HA GLU 63 HA GLU 63 -1.083 -1.142 -11.759 326 HB2 GLU 63 1HB GLU 63 0.236 0.950 -12.174 327 HB3 GLU 63 2HB GLU 63 0.369 1.201 -10.433 328 HG2 GLU 63 1HG GLU 63 1.726 -0.816 -10.202 329 HG3 GLU 63 2HG GLU 63 1.414 -1.269 -11.883 330 H ALA 64 H ALA 64 -0.103 -2.662 -10.313 331 HA ALA 64 HA ALA 64 -0.166 -2.188 -7.430 332 HB1 ALA 64 1HB ALA 64 -2.404 -3.161 -7.859 333 HB2 ALA 64 2HB ALA 64 -1.643 -4.519 -8.708 334 HB3 ALA 64 3HB ALA 64 -1.380 -4.312 -6.970 335 H VAL 65 H VAL 65 1.309 -3.447 -6.315 336 HA VAL 65 HA VAL 65 3.076 -5.360 -7.736 337 HB VAL 65 HB VAL 65 5.115 -4.130 -7.099 338 HG11 VAL 65 1HG1 VAL 65 4.233 -3.939 -9.408 339 HG12 VAL 65 2HG1 VAL 65 3.403 -2.432 -8.946 340 HG13 VAL 65 3HG1 VAL 65 5.170 -2.528 -8.892 341 HG21 VAL 65 3HG2 VAL 65 5.065 -1.735 -6.540 342 HG22 VAL 65 1HG2 VAL 65 3.295 -1.769 -6.458 343 HG23 VAL 65 2HG2 VAL 65 4.271 -2.691 -5.289 344 H VAL 66 H VAL 66 4.554 -6.471 -6.329 345 HA VAL 66 HA VAL 66 4.162 -6.115 -3.394 346 HB VAL 66 HB VAL 66 4.347 -8.797 -4.825 347 HG11 VAL 66 1HG1 VAL 66 5.677 -8.877 -2.747 348 HG12 VAL 66 2HG1 VAL 66 4.340 -8.135 -1.836 349 HG13 VAL 66 3HG1 VAL 66 4.169 -9.762 -2.514 350 HG21 VAL 66 3HG2 VAL 66 2.160 -9.229 -3.742 351 HG22 VAL 66 1HG2 VAL 66 2.160 -7.588 -3.066 352 HG23 VAL 66 2HG2 VAL 66 2.053 -7.834 -4.821 353 H ILE 67 H ILE 67 6.048 -5.977 -2.280 354 HA ILE 67 HA ILE 67 8.363 -5.323 -3.936 355 HB ILE 67 HB ILE 67 7.965 -5.207 -0.931 356 HG12 ILE 67 1HG1 ILE 67 6.392 -3.684 -1.982 357 HG13 ILE 67 2HG1 ILE 67 7.693 -2.818 -1.201 358 HG21 ILE 67 1HG2 ILE 67 10.342 -5.235 -1.402 359 HG22 ILE 67 2HG2 ILE 67 10.162 -4.035 -2.693 360 HG23 ILE 67 3HG2 ILE 67 9.854 -3.579 -1.006 361 HD11 ILE 67 3HD1 ILE 67 7.209 -1.650 -3.162 362 HD12 ILE 67 1HD1 ILE 67 8.772 -2.439 -3.437 363 HD13 ILE 67 2HD1 ILE 67 7.301 -3.116 -4.177 364 H THR 68 H THR 68 9.607 -6.818 -4.685 365 HA THR 68 HA THR 68 10.780 -8.904 -2.906 366 HB THR 68 HB THR 68 11.336 -10.097 -5.067 367 HG1 THR 68 1HG THR 68 10.898 -8.270 -6.424 368 HG21 THR 68 3HG2 THR 68 9.096 -11.091 -5.319 369 HG22 THR 68 1HG2 THR 68 9.506 -10.860 -3.612 370 HG23 THR 68 2HG2 THR 68 8.375 -9.744 -4.410 371 H ASP 69 H ASP 69 12.885 -8.804 -2.591 372 HA ASP 69 HA ASP 69 14.149 -6.439 -2.826 373 HB2 ASP 69 1HB ASP 69 14.621 -8.396 -1.342 374 HB3 ASP 69 2HB ASP 69 15.603 -9.075 -2.624 375 H ARG 70 H ARG 70 15.394 -5.258 -4.203 376 HA ARG 70 HA ARG 70 15.702 -5.930 -6.903 377 HB2 ARG 70 1HB ARG 70 17.052 -3.858 -5.177 378 HB3 ARG 70 2HB ARG 70 17.569 -4.117 -6.842 379 HG2 ARG 70 1HG ARG 70 15.160 -3.835 -7.591 380 HG3 ARG 70 2HG ARG 70 14.776 -3.341 -5.938 381 HD2 ARG 70 1HD ARG 70 15.110 -1.357 -7.262 382 HD3 ARG 70 2HD ARG 70 16.473 -1.499 -6.158 383 HE ARG 70 HE ARG 70 16.508 -2.141 -9.081 384 HH11 ARG 70 1HH1 ARG 70 18.368 -1.171 -6.210 385 HH12 ARG 70 2HH1 ARG 70 19.828 -0.978 -7.131 386 HH21 ARG 70 1HH2 ARG 70 18.424 -1.852 -10.181 387 HH22 ARG 70 2HH2 ARG 70 19.855 -1.346 -9.338 388 H ASN 71 H ASN 71 17.732 -6.928 -4.274 389 HA ASN 71 HA ASN 71 20.017 -7.679 -6.031 390 HB2 ASN 71 1HB ASN 71 19.954 -7.696 -2.999 391 HB3 ASN 71 2HB ASN 71 21.349 -7.642 -4.064 392 HD21 ASN 71 2HD2 ASN 71 18.787 -5.809 -2.545 393 HD22 ASN 71 1HD2 ASN 71 19.428 -4.206 -2.895 394 H THR 72 H THR 72 17.798 -9.043 -3.574 395 HA THR 72 HA THR 72 18.758 -11.820 -4.163 396 HB THR 72 HB THR 72 17.804 -12.236 -1.790 397 HG1 THR 72 1HG THR 72 17.961 -10.239 -0.566 398 HG21 THR 72 3HG2 THR 72 19.855 -11.423 -0.728 399 HG22 THR 72 1HG2 THR 72 20.250 -12.081 -2.325 400 HG23 THR 72 2HG2 THR 72 20.170 -10.319 -2.085 401 H GLN 73 H GLN 73 15.996 -9.925 -4.629 402 HA GLN 73 HA GLN 73 13.859 -10.316 -5.197 403 HB2 GLN 73 1HB GLN 73 14.964 -13.024 -6.030 404 HB3 GLN 73 2HB GLN 73 13.366 -12.438 -6.457 405 HG2 GLN 73 1HG GLN 73 15.889 -10.893 -7.198 406 HG3 GLN 73 2HG GLN 73 15.198 -12.158 -8.203 407 HE21 GLN 73 2HE2 GLN 73 14.575 -8.841 -6.922 408 HE22 GLN 73 1HE2 GLN 73 13.304 -8.525 -8.093 409 H LYS 74 H LYS 74 14.836 -11.274 -2.370 410 HA LYS 74 HA LYS 74 12.764 -13.137 -1.588 411 HB2 LYS 74 1HB LYS 74 13.663 -12.820 0.652 412 HB3 LYS 74 2HB LYS 74 14.934 -13.087 -0.518 413 HG2 LYS 74 1HG LYS 74 15.894 -11.407 0.684 414 HG3 LYS 74 2HG LYS 74 15.103 -10.460 -0.567 415 HD2 LYS 74 1HD LYS 74 13.117 -10.330 1.161 416 HD3 LYS 74 2HD LYS 74 14.321 -10.829 2.339 417 HE2 LYS 74 1HE LYS 74 14.434 -8.370 0.530 418 HE3 LYS 74 2HE LYS 74 13.997 -8.354 2.227 419 HZ1 LYS 74 3HZ LYS 74 16.308 -7.712 1.827 420 HZ2 LYS 74 1HZ LYS 74 16.262 -9.071 2.752 421 HZ3 LYS 74 2HZ LYS 74 16.649 -9.144 1.156 422 H SER 75 H SER 75 10.766 -12.723 -0.710 423 HA SER 75 HA SER 75 9.534 -10.170 -1.256 424 HB2 SER 75 1HB SER 75 8.472 -12.520 0.344 425 HB3 SER 75 2HB SER 75 7.519 -11.213 -0.380 426 HG SER 75 HG SER 75 7.602 -13.197 -1.638 427 H ARG 76 H ARG 76 9.118 -8.447 0.050 428 HA ARG 76 HA ARG 76 10.223 -8.369 2.766 429 HB2 ARG 76 1HB ARG 76 8.888 -6.317 1.025 430 HB3 ARG 76 2HB ARG 76 9.319 -6.051 2.718 431 HG2 ARG 76 1HG ARG 76 11.703 -7.010 1.999 432 HG3 ARG 76 2HG ARG 76 11.155 -6.555 0.378 433 HD2 ARG 76 1HD ARG 76 12.248 -4.648 1.257 434 HD3 ARG 76 2HD ARG 76 10.545 -4.303 1.361 435 HE ARG 76 HE ARG 76 10.671 -4.368 3.712 436 HH11 ARG 76 1HH1 ARG 76 13.874 -5.275 2.438 437 HH12 ARG 76 2HH1 ARG 76 14.575 -5.204 4.028 438 HH21 ARG 76 1HH2 ARG 76 11.626 -4.269 5.626 439 HH22 ARG 76 2HH2 ARG 76 13.322 -4.635 5.828 440 H GLY 77 H GLY 77 7.157 -9.344 1.627 441 HA2 GLY 77 1HA GLY 77 5.248 -9.953 2.866 442 HA3 GLY 77 2HA GLY 77 5.919 -9.146 4.306 443 H TYR 78 H TYR 78 6.068 -7.066 1.616 444 HA TYR 78 HA TYR 78 3.316 -6.113 1.845 445 HB2 TYR 78 1HB TYR 78 3.839 -3.926 2.478 446 HB3 TYR 78 2HB TYR 78 4.817 -4.899 3.552 447 HD1 TYR 78 2HD TYR 78 7.365 -4.895 3.253 448 HD2 TYR 78 1HD TYR 78 4.716 -2.468 0.851 449 HE1 TYR 78 2HE TYR 78 9.215 -3.347 2.722 450 HE2 TYR 78 1HE TYR 78 6.610 -0.984 0.279 451 HH TYR 78 HH TYR 78 8.884 -0.533 0.587 452 H GLY 79 H GLY 79 2.707 -4.518 0.363 453 HA2 GLY 79 1HA GLY 79 4.217 -4.200 -2.174 454 HA3 GLY 79 2HA GLY 79 2.612 -4.934 -2.193 455 H PHE 80 H PHE 80 2.475 -3.027 -3.663 456 HA PHE 80 HA PHE 80 1.138 -0.785 -2.270 457 HB2 PHE 80 1HB PHE 80 3.450 -0.591 -4.200 458 HB3 PHE 80 2HB PHE 80 2.173 0.597 -4.314 459 HD1 PHE 80 2HD PHE 80 1.677 2.168 -2.531 460 HD2 PHE 80 1HD PHE 80 5.023 -0.556 -2.247 461 HE1 PHE 80 2HE PHE 80 2.647 3.552 -0.714 462 HE2 PHE 80 1HE PHE 80 5.988 0.870 -0.458 463 HZ PHE 80 HZ PHE 80 4.812 2.901 0.319 464 H VAL 81 H VAL 81 -0.538 0.117 -3.363 465 HA VAL 81 HA VAL 81 -1.299 -0.886 -6.071 466 HB VAL 81 HB VAL 81 -3.278 -0.665 -3.757 467 HG11 VAL 81 1HG1 VAL 81 -4.344 -0.177 -5.894 468 HG12 VAL 81 2HG1 VAL 81 -3.599 -1.603 -6.643 469 HG13 VAL 81 3HG1 VAL 81 -4.834 -1.789 -5.389 470 HG21 VAL 81 3HG2 VAL 81 -3.517 -3.141 -3.947 471 HG22 VAL 81 1HG2 VAL 81 -2.126 -3.168 -5.049 472 HG23 VAL 81 2HG2 VAL 81 -1.931 -2.648 -3.360 473 H THR 82 H THR 82 -2.250 0.739 -7.346 474 HA THR 82 HA THR 82 -2.939 3.331 -6.008 475 HB THR 82 HB THR 82 -1.466 3.066 -8.653 476 HG1 THR 82 1HG THR 82 -0.116 2.729 -6.899 477 HG21 THR 82 3HG2 THR 82 -1.274 5.536 -8.479 478 HG22 THR 82 1HG2 THR 82 -2.969 5.052 -8.607 479 HG23 THR 82 2HG2 THR 82 -2.299 5.525 -7.030 480 H MET 83 H MET 83 -4.831 4.184 -6.591 481 HA MET 83 HA MET 83 -6.560 2.524 -8.363 482 HB2 MET 83 1HB MET 83 -7.351 4.545 -6.236 483 HB3 MET 83 2HB MET 83 -8.414 3.462 -7.110 484 HG2 MET 83 1HG MET 83 -6.213 2.683 -5.168 485 HG3 MET 83 2HG MET 83 -7.937 2.628 -4.861 486 HE1 MET 83 3HE MET 83 -9.199 -0.380 -6.913 487 HE2 MET 83 1HE MET 83 -9.571 0.836 -5.665 488 HE3 MET 83 2HE MET 83 -9.233 1.342 -7.337 489 H LYS 84 H LYS 84 -7.820 3.363 -10.024 490 HA LYS 84 HA LYS 84 -6.755 5.696 -11.393 491 HB2 LYS 84 1HB LYS 84 -9.002 3.735 -11.937 492 HB3 LYS 84 2HB LYS 84 -8.839 5.198 -12.909 493 HG2 LYS 84 1HG LYS 84 -6.526 4.600 -13.480 494 HG3 LYS 84 2HG LYS 84 -6.699 3.081 -12.576 495 HD2 LYS 84 1HD LYS 84 -8.526 2.405 -14.108 496 HD3 LYS 84 2HD LYS 84 -8.337 3.902 -15.020 497 HE2 LYS 84 1HE LYS 84 -6.177 1.770 -14.642 498 HE3 LYS 84 2HE LYS 84 -7.255 1.861 -16.035 499 HZ1 LYS 84 3HZ LYS 84 -5.175 2.922 -16.546 500 HZ2 LYS 84 1HZ LYS 84 -6.324 4.084 -16.500 501 HZ3 LYS 84 2HZ LYS 84 -5.257 3.920 -15.259 502 H ASP 85 H ASP 85 -9.296 5.358 -9.084 503 HA ASP 85 HA ASP 85 -10.002 8.237 -9.405 504 HB2 ASP 85 1HB ASP 85 -11.958 5.930 -9.122 505 HB3 ASP 85 2HB ASP 85 -12.375 7.608 -8.812 506 H ARG 86 H ARG 86 -10.489 9.311 -7.579 507 HA ARG 86 HA ARG 86 -9.014 8.482 -5.298 508 HB2 ARG 86 1HB ARG 86 -9.359 10.789 -6.265 509 HB3 ARG 86 2HB ARG 86 -10.937 10.833 -5.486 510 HG2 ARG 86 1HG ARG 86 -10.060 11.184 -3.405 511 HG3 ARG 86 2HG ARG 86 -8.669 10.141 -3.676 512 HD2 ARG 86 1HD ARG 86 -8.911 12.859 -5.035 513 HD3 ARG 86 2HD ARG 86 -8.237 12.660 -3.423 514 HE ARG 86 HE ARG 86 -7.032 10.824 -5.318 515 HH11 ARG 86 1HH1 ARG 86 -6.790 14.236 -4.347 516 HH12 ARG 86 2HH1 ARG 86 -5.042 14.199 -4.532 517 HH21 ARG 86 1HH2 ARG 86 -4.774 10.965 -5.587 518 HH22 ARG 86 2HH2 ARG 86 -4.009 12.519 -5.271 519 H ALA 87 H ALA 87 -12.520 8.482 -5.855 520 HA ALA 87 HA ALA 87 -13.252 7.681 -3.181 521 HB1 ALA 87 1HB ALA 87 -14.836 8.688 -4.799 522 HB2 ALA 87 2HB ALA 87 -14.682 7.260 -5.853 523 HB3 ALA 87 3HB ALA 87 -15.409 7.106 -4.240 524 H SER 88 H SER 88 -12.120 5.766 -5.998 525 HA SER 88 HA SER 88 -12.883 3.216 -4.913 526 HB2 SER 88 1HB SER 88 -10.674 3.890 -6.882 527 HB3 SER 88 2HB SER 88 -11.381 2.290 -6.605 528 HG SER 88 HG SER 88 -12.246 3.625 -8.439 529 H ALA 89 H ALA 89 -10.024 5.240 -4.339 530 HA ALA 89 HA ALA 89 -8.656 3.213 -2.756 531 HB1 ALA 89 1HB ALA 89 -7.469 5.095 -3.817 532 HB2 ALA 89 2HB ALA 89 -8.385 6.240 -2.807 533 HB3 ALA 89 3HB ALA 89 -7.244 5.103 -2.058 534 H GLU 90 H GLU 90 -11.152 5.662 -2.063 535 HA GLU 90 HA GLU 90 -11.064 5.321 0.802 536 HB2 GLU 90 1HB GLU 90 -13.349 6.357 -0.920 537 HB3 GLU 90 2HB GLU 90 -13.229 6.445 0.833 538 HG2 GLU 90 1HG GLU 90 -11.100 7.757 0.562 539 HG3 GLU 90 2HG GLU 90 -11.412 7.832 -1.164 540 H ARG 91 H ARG 91 -12.694 3.528 -1.792 541 HA ARG 91 HA ARG 91 -14.322 1.921 0.019 542 HB2 ARG 91 1HB ARG 91 -13.340 1.205 -2.766 543 HB3 ARG 91 2HB ARG 91 -14.570 0.348 -1.829 544 HG2 ARG 91 1HG ARG 91 -15.892 2.561 -1.799 545 HG3 ARG 91 2HG ARG 91 -14.729 3.135 -3.001 546 HD2 ARG 91 1HD ARG 91 -15.381 0.930 -4.300 547 HD3 ARG 91 2HD ARG 91 -16.784 0.933 -3.245 548 HE ARG 91 HE ARG 91 -17.570 2.931 -4.241 549 HH11 ARG 91 1HH1 ARG 91 -14.559 1.907 -5.807 550 HH12 ARG 91 2HH1 ARG 91 -14.624 3.176 -6.986 551 HH21 ARG 91 1HH2 ARG 91 -17.686 4.447 -5.900 552 HH22 ARG 91 2HH2 ARG 91 -16.451 4.495 -7.122 553 H ALA 92 H ALA 92 -10.988 1.682 -1.172 554 HA ALA 92 HA ALA 92 -10.490 -0.960 -0.098 555 HB1 ALA 92 1HB ALA 92 -9.258 0.012 -2.025 556 HB2 ALA 92 2HB ALA 92 -8.551 1.234 -0.949 557 HB3 ALA 92 3HB ALA 92 -8.176 -0.484 -0.711 558 H CYS 93 H CYS 93 -9.606 2.347 1.140 559 HA CYS 93 HA CYS 93 -8.208 1.235 3.382 560 HB2 CYS 93 1HB CYS 93 -7.882 3.503 4.081 561 HB3 CYS 93 2HB CYS 93 -7.756 3.456 2.311 562 HG CYS 93 HG CYS 93 -10.461 4.218 4.104 563 H LYS 94 H LYS 94 -11.608 1.700 3.002 564 HA LYS 94 HA LYS 94 -12.299 1.855 5.810 565 HB2 LYS 94 1HB LYS 94 -13.788 1.259 3.252 566 HB3 LYS 94 2HB LYS 94 -14.517 0.850 4.806 567 HG2 LYS 94 1HG LYS 94 -13.990 3.236 5.579 568 HG3 LYS 94 2HG LYS 94 -13.612 3.617 3.901 569 HD2 LYS 94 1HD LYS 94 -16.246 2.535 4.993 570 HD3 LYS 94 2HD LYS 94 -15.942 4.219 4.593 571 HE2 LYS 94 1HE LYS 94 -15.884 1.914 2.585 572 HE3 LYS 94 2HE LYS 94 -17.273 2.965 2.873 573 HZ1 LYS 94 3HZ LYS 94 -16.021 3.766 0.994 574 HZ2 LYS 94 1HZ LYS 94 -15.886 4.861 2.201 575 HZ3 LYS 94 2HZ LYS 94 -14.631 3.854 1.862 576 H ASP 95 H ASP 95 -11.132 -0.808 3.976 577 HA ASP 95 HA ASP 95 -11.636 -2.571 6.349 578 HB2 ASP 95 1HB ASP 95 -12.879 -3.371 4.451 579 HB3 ASP 95 2HB ASP 95 -11.404 -3.460 3.480 580 HA PRO 96 HA PRO 96 -7.187 -1.615 5.993 581 HB2 PRO 96 1HB PRO 96 -6.577 -1.360 8.637 582 HB3 PRO 96 2HB PRO 96 -7.443 -0.094 7.715 583 HG2 PRO 96 1HG PRO 96 -8.641 -2.252 9.487 584 HG3 PRO 96 2HG PRO 96 -8.985 -0.491 9.506 585 HD2 PRO 96 1HD PRO 96 -10.572 -2.266 8.159 586 HD3 PRO 96 2HD PRO 96 -10.257 -0.628 7.517 587 H ASN 97 H ASN 97 -8.789 -4.275 7.660 588 HA ASN 97 HA ASN 97 -6.296 -5.890 7.461 589 HB2 ASN 97 1HB ASN 97 -8.237 -6.005 9.782 590 HB3 ASN 97 2HB ASN 97 -6.809 -7.000 9.547 591 HD21 ASN 97 2HD2 ASN 97 -4.716 -5.405 9.005 592 HD22 ASN 97 1HD2 ASN 97 -4.522 -4.230 10.286 593 HA PRO 98 HA PRO 98 -9.801 -7.883 5.208 594 HB2 PRO 98 1HB PRO 98 -8.682 -8.087 2.736 595 HB3 PRO 98 2HB PRO 98 -9.358 -6.545 3.352 596 HG2 PRO 98 1HG PRO 98 -6.465 -7.474 3.376 597 HG3 PRO 98 2HG PRO 98 -7.122 -5.915 2.781 598 HD2 PRO 98 1HD PRO 98 -6.064 -6.209 5.277 599 HD3 PRO 98 2HD PRO 98 -7.467 -5.156 4.974 600 H ILE 99 H ILE 99 -6.621 -8.999 5.872 601 HA ILE 99 HA ILE 99 -5.628 -11.039 6.001 602 HB ILE 99 HB ILE 99 -8.255 -12.434 5.738 603 HG12 ILE 99 1HG1 ILE 99 -8.839 -10.717 7.293 604 HG13 ILE 99 2HG1 ILE 99 -8.631 -12.221 8.161 605 HG21 ILE 99 1HG2 ILE 99 -6.227 -13.840 5.906 606 HG22 ILE 99 2HG2 ILE 99 -5.740 -12.995 7.380 607 HG23 ILE 99 3HG2 ILE 99 -7.208 -13.990 7.363 608 HD11 ILE 99 3HD1 ILE 99 -7.727 -10.392 9.456 609 HD12 ILE 99 1HD1 ILE 99 -6.374 -11.409 8.936 610 HD13 ILE 99 2HD1 ILE 99 -6.714 -9.858 8.113 611 H ILE 100 H ILE 100 -5.024 -10.126 3.754 612 HA ILE 100 HA ILE 100 -6.030 -11.521 1.390 613 HB ILE 100 HB ILE 100 -3.704 -9.626 1.847 614 HG12 ILE 100 1HG1 ILE 100 -6.157 -9.273 0.086 615 HG13 ILE 100 2HG1 ILE 100 -6.235 -8.914 1.793 616 HG21 ILE 100 1HG2 ILE 100 -2.993 -11.108 0.024 617 HG22 ILE 100 2HG2 ILE 100 -4.569 -10.938 -0.778 618 HG23 ILE 100 3HG2 ILE 100 -3.458 -9.561 -0.662 619 HD11 ILE 100 3HD1 ILE 100 -5.811 -6.863 0.581 620 HD12 ILE 100 1HD1 ILE 100 -4.373 -7.260 1.539 621 HD13 ILE 100 2HD1 ILE 100 -4.389 -7.557 -0.215 622 H ASP 101 H ASP 101 -5.524 -13.444 0.746 623 HA ASP 101 HA ASP 101 -4.474 -15.359 0.269 624 HB2 ASP 101 1HB ASP 101 -2.888 -13.463 -0.566 625 HB3 ASP 101 2HB ASP 101 -1.821 -13.984 0.718 626 H GLY 102 H GLY 102 -4.822 -14.538 3.237 627 HA2 GLY 102 1HA GLY 102 -5.002 -16.036 5.033 628 HA3 GLY 102 2HA GLY 102 -3.718 -17.053 4.362 629 H ARG 103 H ARG 103 -3.532 -13.525 5.007 630 HA ARG 103 HA ARG 103 -2.360 -13.909 7.638 631 HB2 ARG 103 1HB ARG 103 -0.356 -14.202 6.062 632 HB3 ARG 103 2HB ARG 103 -0.591 -12.514 5.587 633 HG2 ARG 103 1HG ARG 103 -0.317 -11.854 8.019 634 HG3 ARG 103 2HG ARG 103 -0.020 -13.555 8.396 635 HD2 ARG 103 1HD ARG 103 1.961 -13.429 6.780 636 HD3 ARG 103 2HD ARG 103 1.672 -11.696 6.675 637 HE ARG 103 HE ARG 103 2.446 -11.392 8.889 638 HH11 ARG 103 1HH1 ARG 103 2.232 -14.885 8.251 639 HH12 ARG 103 2HH1 ARG 103 3.192 -15.269 9.645 640 HH21 ARG 103 1HH2 ARG 103 3.766 -11.972 10.561 641 HH22 ARG 103 2HH2 ARG 103 4.007 -13.647 10.964 642 H LYS 104 H LYS 104 -2.539 -12.025 8.890 643 HA LYS 104 HA LYS 104 -4.514 -10.145 8.056 644 HB2 LYS 104 1HB LYS 104 -4.114 -10.884 10.396 645 HB3 LYS 104 2HB LYS 104 -2.612 -9.960 10.407 646 HG2 LYS 104 1HG LYS 104 -4.745 -8.210 9.484 647 HG3 LYS 104 2HG LYS 104 -5.351 -9.073 10.883 648 HD2 LYS 104 1HD LYS 104 -2.748 -7.480 10.784 649 HD3 LYS 104 2HD LYS 104 -4.284 -6.902 11.450 650 HE2 LYS 104 1HE LYS 104 -4.277 -8.604 13.181 651 HE3 LYS 104 2HE LYS 104 -2.849 -9.383 12.483 652 HZ1 LYS 104 3HZ LYS 104 -2.261 -7.967 14.357 653 HZ2 LYS 104 1HZ LYS 104 -1.564 -7.409 12.986 654 HZ3 LYS 104 2HZ LYS 104 -2.876 -6.644 13.617 655 H ALA 105 H ALA 105 -4.006 -9.072 6.223 656 HA ALA 105 HA ALA 105 -1.620 -7.521 5.865 657 HB1 ALA 105 1HB ALA 105 -2.911 -8.449 3.988 658 HB2 ALA 105 2HB ALA 105 -4.301 -7.424 4.417 659 HB3 ALA 105 3HB ALA 105 -2.789 -6.688 3.856 660 H ASN 106 H ASN 106 -1.676 -5.174 5.489 661 HA ASN 106 HA ASN 106 -3.398 -3.639 7.391 662 HB2 ASN 106 1HB ASN 106 -0.379 -3.446 7.153 663 HB3 ASN 106 2HB ASN 106 -1.413 -2.460 8.186 664 HD21 ASN 106 2HD2 ASN 106 0.443 -5.321 8.041 665 HD22 ASN 106 1HD2 ASN 106 -0.269 -6.173 9.410 666 H VAL 107 H VAL 107 -4.589 -2.770 5.805 667 HA VAL 107 HA VAL 107 -3.341 -1.598 3.362 668 HB VAL 107 HB VAL 107 -6.237 -2.273 4.025 669 HG11 VAL 107 1HG1 VAL 107 -6.212 -0.372 2.458 670 HG12 VAL 107 2HG1 VAL 107 -5.009 -1.199 1.445 671 HG13 VAL 107 3HG1 VAL 107 -6.660 -1.840 1.589 672 HG21 VAL 107 3HG2 VAL 107 -5.959 -4.025 2.305 673 HG22 VAL 107 1HG2 VAL 107 -4.263 -3.568 2.114 674 HG23 VAL 107 2HG2 VAL 107 -4.826 -4.274 3.644 675 H ASN 108 H ASN 108 -3.046 0.521 3.211 676 HA ASN 108 HA ASN 108 -5.074 2.421 3.962 677 HB2 ASN 108 1HB ASN 108 -3.700 3.754 5.540 678 HB3 ASN 108 2HB ASN 108 -4.223 2.221 6.193 679 HD21 ASN 108 2HD2 ASN 108 -1.343 3.988 4.918 680 HD22 ASN 108 1HD2 ASN 108 -0.225 2.991 5.838 681 H LEU 109 H LEU 109 -4.566 4.625 3.381 682 HA LEU 109 HA LEU 109 -3.170 5.041 0.929 683 HB2 LEU 109 1HB LEU 109 -3.857 6.972 3.188 684 HB3 LEU 109 2HB LEU 109 -3.314 7.453 1.584 685 HG LEU 109 HG LEU 109 -5.904 5.942 2.150 686 HD11 LEU 109 1HD1 LEU 109 -5.965 8.218 3.043 687 HD12 LEU 109 2HD1 LEU 109 -5.390 8.869 1.498 688 HD13 LEU 109 3HD1 LEU 109 -6.990 8.099 1.603 689 HD21 LEU 109 3HD2 LEU 109 -6.441 6.601 -0.226 690 HD22 LEU 109 1HD2 LEU 109 -4.746 7.103 -0.422 691 HD23 LEU 109 2HD2 LEU 109 -5.147 5.408 -0.089 692 H ALA 110 H ALA 110 -1.153 5.770 0.467 693 HA ALA 110 HA ALA 110 1.036 4.858 1.825 694 HB1 ALA 110 1HB ALA 110 1.043 5.591 -0.487 695 HB2 ALA 110 2HB ALA 110 0.933 7.296 -0.004 696 HB3 ALA 110 3HB ALA 110 2.390 6.345 0.387 697 H TYR 111 H TYR 111 1.248 8.458 1.822 698 HA TYR 111 HA TYR 111 2.796 9.135 3.696 699 HB2 TYR 111 1HB TYR 111 1.761 11.191 3.762 700 HB3 TYR 111 2HB TYR 111 1.334 10.498 2.223 701 HD1 TYR 111 1HD TYR 111 -1.059 9.153 2.229 702 HD2 TYR 111 2HD TYR 111 0.104 12.259 4.994 703 HE1 TYR 111 1HE TYR 111 -3.442 9.566 2.776 704 HE2 TYR 111 2HE TYR 111 -2.285 12.706 5.495 705 HH TYR 111 HH TYR 111 -4.466 12.100 5.099 706 H LEU 112 H LEU 112 0.657 6.995 5.340 707 HA LEU 112 HA LEU 112 0.112 8.759 7.623 708 HB2 LEU 112 1HB LEU 112 -0.589 5.807 7.378 709 HB3 LEU 112 2HB LEU 112 -1.278 7.024 8.446 710 HG LEU 112 HG LEU 112 -1.658 6.656 5.477 711 HD11 LEU 112 1HD1 LEU 112 -3.078 5.347 7.053 712 HD12 LEU 112 2HD1 LEU 112 -3.697 6.877 7.713 713 HD13 LEU 112 3HD1 LEU 112 -3.998 6.460 6.009 714 HD21 LEU 112 3HD2 LEU 112 -3.137 8.649 5.506 715 HD22 LEU 112 1HD2 LEU 112 -2.424 9.094 7.083 716 HD23 LEU 112 2HD2 LEU 112 -1.408 8.978 5.619 717 H GLY 113 H GLY 113 1.298 5.388 7.668 718 HA2 GLY 113 1HA GLY 113 3.167 5.946 9.892 719 HA3 GLY 113 2HA GLY 113 2.784 4.367 9.155 720 H ALA 114 H ALA 114 3.438 6.757 6.837 721 HA ALA 114 HA ALA 114 5.682 5.454 5.745 722 HB1 ALA 114 1HB ALA 114 4.118 6.856 4.449 723 HB2 ALA 114 2HB ALA 114 4.665 8.305 5.335 724 HB3 ALA 114 3HB ALA 114 5.781 7.435 4.261 725 H LYS 115 H LYS 115 7.837 5.679 5.948 726 HA LYS 115 HA LYS 115 8.724 6.946 8.428 727 HB2 LYS 115 1HB LYS 115 10.123 5.038 6.515 728 HB3 LYS 115 2HB LYS 115 10.724 5.504 8.099 729 HG2 LYS 115 1HG LYS 115 8.175 3.915 7.559 730 HG3 LYS 115 2HG LYS 115 9.734 3.288 8.100 731 HD2 LYS 115 1HD LYS 115 9.551 4.564 10.213 732 HD3 LYS 115 2HD LYS 115 8.002 5.231 9.686 733 HE2 LYS 115 1HE LYS 115 7.656 3.402 11.261 734 HE3 LYS 115 2HE LYS 115 6.966 3.027 9.679 735 HZ1 LYS 115 3HZ LYS 115 8.268 1.171 10.738 736 HZ2 LYS 115 1HZ LYS 115 8.750 1.569 9.219 737 HZ3 LYS 115 2HZ LYS 115 9.628 2.048 10.530 738 HA PRO 116 HA PRO 116 11.301 10.257 6.757 739 HB2 PRO 116 1HB PRO 116 13.358 9.146 8.673 740 HB3 PRO 116 2HB PRO 116 12.851 10.844 8.425 741 HG2 PRO 116 1HG PRO 116 11.956 9.426 10.562 742 HG3 PRO 116 2HG PRO 116 10.844 10.504 9.657 743 HD2 PRO 116 1HD PRO 116 11.096 7.487 9.456 744 HD3 PRO 116 2HD PRO 116 9.642 8.525 9.487 745 H ARG 117 H ARG 117 12.743 10.355 5.063 746 HA ARG 117 HA ARG 117 14.729 8.301 4.495 747 HB2 ARG 117 1HB ARG 117 12.534 7.262 3.835 748 HB3 ARG 117 2HB ARG 117 12.354 8.512 2.602 749 HG2 ARG 117 1HG ARG 117 14.263 7.705 1.383 750 HG3 ARG 117 2HG ARG 117 14.846 6.760 2.772 751 HD2 ARG 117 1HD ARG 117 12.882 5.310 2.641 752 HD3 ARG 117 2HD ARG 117 12.292 6.195 1.223 753 HE ARG 117 HE ARG 117 14.625 5.519 0.232 754 HH11 ARG 117 1HH1 ARG 117 12.572 3.371 2.188 755 HH12 ARG 117 2HH1 ARG 117 13.269 1.950 1.411 756 HH21 ARG 117 1HH2 ARG 117 15.364 3.551 -0.695 757 HH22 ARG 117 2HH2 ARG 117 14.644 2.051 -0.113 758 H THR 118 H THR 118 16.160 8.909 2.846 759 HA THR 118 HA THR 118 16.674 11.672 2.541 760 HB THR 118 HB THR 118 18.385 9.916 2.473 761 HG1 THR 118 1HG THR 118 19.583 11.017 0.911 762 HG21 THR 118 3HG2 THR 118 18.913 8.714 0.430 763 HG22 THR 118 1HG2 THR 118 17.266 8.286 0.915 764 HG23 THR 118 2HG2 THR 118 17.530 9.431 -0.420 765 H ASN 119 H ASN 119 16.455 13.128 0.970 766 HA ASN 119 HA ASN 119 14.899 12.726 -1.472 767 HB2 ASN 119 1HB ASN 119 13.704 13.841 1.089 768 HB3 ASN 119 2HB ASN 119 13.208 14.521 -0.451 769 HD21 ASN 119 2HD2 ASN 119 12.692 11.867 1.712 770 HD22 ASN 119 1HD2 ASN 119 11.571 11.020 0.657 771 H VAL 120 H VAL 120 14.721 14.683 -2.721 772 HA VAL 120 HA VAL 120 16.033 17.142 -1.926 773 HB VAL 120 HB VAL 120 18.011 15.734 -2.397 774 HG11 VAL 120 1HG1 VAL 120 17.071 14.224 -4.129 775 HG12 VAL 120 2HG1 VAL 120 17.052 15.577 -5.284 776 HG13 VAL 120 3HG1 VAL 120 18.588 14.982 -4.631 777 HG21 VAL 120 3HG2 VAL 120 19.203 17.285 -3.799 778 HG22 VAL 120 1HG2 VAL 120 17.700 17.914 -4.492 779 HG23 VAL 120 2HG2 VAL 120 18.074 18.187 -2.774 780 H GLN 121 H GLN 121 15.551 18.850 -3.266 781 HA GLN 121 HA GLN 121 14.210 18.573 -5.839 782 HB2 GLN 121 1HB GLN 121 12.393 17.999 -4.223 783 HB3 GLN 121 2HB GLN 121 12.627 19.560 -3.426 784 HG2 GLN 121 1HG GLN 121 11.973 20.729 -5.519 785 HG3 GLN 121 2HG GLN 121 11.858 19.177 -6.352 786 HE21 GLN 121 2HE2 GLN 121 9.610 19.270 -6.859 787 HE22 GLN 121 1HE2 GLN 121 8.380 19.289 -5.601 788 H5' G 7 H5' G 7 4.234 -10.622 12.593 789 H5'' G 7 H5" G 7 4.845 -9.018 12.201 790 H4' G 7 H4' G 7 6.610 -10.728 12.818 791 H3' G 7 H3' G 7 6.672 -9.003 10.406 792 H2' G 7 H2' G 7 7.806 -10.450 9.067 793 HO2' G 7 2HO G 7 9.556 -10.079 11.002 794 H1' G 7 H1' G 7 8.060 -12.672 10.974 795 H8 G 7 8H G 7 7.871 -14.792 9.661 796 H1 G 7 1H G 7 4.264 -12.110 5.039 797 H21 G 7 1H2 G 7 3.900 -10.038 5.498 798 H22 G 7 2H2 G 7 4.557 -9.290 6.958 799 HO5' G 7 H5T G 7 4.710 -9.769 9.892 800 H5' U 8 H5' U 8 7.673 -6.683 10.109 801 H5'' U 8 H5" U 8 8.668 -5.837 11.302 802 H4' U 8 H4' U 8 7.495 -4.197 10.011 803 H3' U 8 H3' U 8 7.335 -4.266 12.801 804 H2' U 8 H2' U 8 5.169 -5.109 12.854 805 HO2' U 8 2HO U 8 5.074 -2.293 12.784 806 H1' U 8 H1' U 8 4.457 -3.404 10.435 807 H3 U 8 3H U 8 0.227 -4.825 11.772 808 H5 U 8 5H U 8 2.436 -8.372 11.627 809 H6 U 8 6H U 8 4.421 -7.070 11.006 810 H5' G 9 H5' G 9 9.092 -0.814 9.140 811 H5'' G 9 H5" G 9 7.582 -1.716 9.231 812 H4' G 9 H4' G 9 10.179 -2.674 7.946 813 H3' G 9 H3' G 9 7.611 -1.465 6.919 814 H2' G 9 H2' G 9 7.718 -2.855 4.992 815 HO2' G 9 2HO G 9 10.170 -2.502 5.035 816 H1' G 9 H1' G 9 8.574 -5.131 6.293 817 H8 G 9 8H G 9 6.505 -6.415 5.633 818 H1 G 9 1H G 9 2.472 -2.141 8.275 819 H21 G 9 1H2 G 9 3.670 -0.403 9.065 820 H22 G 9 2H2 G 9 5.408 -0.384 8.825 821 H5' U 10 H5' U 10 7.561 -0.500 3.604 822 H5'' U 10 H5" U 10 9.143 0.272 3.579 823 H4' U 10 H4' U 10 7.726 1.144 1.812 824 H3' U 10 H3' U 10 9.219 2.820 3.345 825 H2' U 10 H2' U 10 7.428 3.122 4.978 826 HO2' U 10 2HO U 10 8.127 5.216 3.516 827 H1' U 10 H1' U 10 5.696 3.628 2.549 828 H3 U 10 3H U 10 1.747 4.410 4.603 829 H5 U 10 5H U 10 3.740 1.990 7.376 830 H6 U 10 6H U 10 5.668 1.888 5.872 831 H5' G 11 H5' G 11 11.627 3.340 -0.711 832 H5'' G 11 H5" G 11 9.939 3.633 -1.099 833 H4' G 11 H4' G 11 10.588 1.479 0.905 834 H3' G 11 H3' G 11 12.006 1.325 -1.432 835 H2' G 11 H2' G 11 10.252 1.699 -2.870 836 HO2' G 11 2HO G 11 9.547 -0.277 -3.801 837 H1' G 11 H1' G 11 8.204 -0.051 -1.497 838 H8 G 11 8H G 11 7.386 3.393 -1.099 839 H1 G 11 1H G 11 6.091 1.609 -7.150 840 H21 G 11 1H2 G 11 7.156 -0.337 -7.564 841 H22 G 11 2H2 G 11 8.094 -1.097 -6.290 842 H5' C 12 H5' C 12 12.383 -2.850 -2.263 843 H5'' C 12 H5" C 12 11.941 -3.088 -0.579 844 H4' C 12 H4' C 12 13.064 -5.029 -1.103 845 H3' C 12 H3' C 12 14.187 -3.415 0.839 846 HO3' C 12 H3T C 12 15.298 -5.946 0.180 847 H2' C 12 H2' C 12 15.952 -2.488 -0.242 848 HO2' C 12 2HO C 12 16.972 -5.164 -0.016 849 H1' C 12 H1' C 12 16.610 -4.527 -2.247 850 H41 C 12 1H4 C 12 17.840 1.416 -4.233 851 H42 C 12 2H4 C 12 16.188 1.597 -4.822 852 H5 C 12 5H C 12 14.545 -0.173 -4.560 853 H6 C 12 6H C 12 14.140 -2.373 -3.606 Start of MODEL 20 1 H1 GLY 19 1H GLY 19 -20.258 19.474 10.885 2 H2 GLY 19 2H GLY 19 -18.761 19.932 10.403 3 H3 GLY 19 3H GLY 19 -19.944 19.699 9.292 4 HA2 GLY 19 1HA GLY 19 -20.037 17.347 9.789 5 HA3 GLY 19 2HA GLY 19 -18.424 17.844 9.244 6 H SER 20 H SER 20 -19.149 15.524 10.903 7 HA SER 20 HA SER 20 -18.177 16.135 13.624 8 HB2 SER 20 1HB SER 20 -18.766 13.747 14.003 9 HB3 SER 20 2HB SER 20 -20.109 14.726 13.395 10 HG SER 20 HG SER 20 -19.927 12.691 12.298 11 H THR 21 H THR 21 -16.631 15.364 10.723 12 HA THR 21 HA THR 21 -14.542 13.611 11.795 13 HB THR 21 HB THR 21 -13.595 13.896 9.463 14 HG1 THR 21 1HG THR 21 -14.942 14.915 7.968 15 HG21 THR 21 3HG2 THR 21 -15.309 12.523 8.378 16 HG22 THR 21 1HG2 THR 21 -15.088 12.001 10.055 17 HG23 THR 21 2HG2 THR 21 -16.505 12.977 9.611 18 H ASN 22 H ASN 22 -12.292 14.086 11.542 19 HA ASN 22 HA ASN 22 -11.637 16.738 12.641 20 HB2 ASN 22 1HB ASN 22 -9.694 15.712 13.522 21 HB3 ASN 22 2HB ASN 22 -11.036 14.626 13.837 22 HD21 ASN 22 2HD2 ASN 22 -8.092 14.061 13.673 23 HD22 ASN 22 1HD2 ASN 22 -7.944 12.817 12.443 24 H ALA 23 H ALA 23 -11.998 16.139 9.616 25 HA ALA 23 HA ALA 23 -9.625 17.576 8.623 26 HB1 ALA 23 1HB ALA 23 -8.925 15.194 8.623 27 HB2 ALA 23 2HB ALA 23 -10.361 14.768 7.666 28 HB3 ALA 23 3HB ALA 23 -9.099 15.804 6.969 29 H GLU 24 H GLU 24 -9.816 18.103 6.294 30 HA GLU 24 HA GLU 24 -12.391 19.293 5.820 31 HB2 GLU 24 1HB GLU 24 -9.905 19.176 4.076 32 HB3 GLU 24 2HB GLU 24 -11.321 20.165 3.738 33 HG2 GLU 24 1HG GLU 24 -9.500 20.434 6.169 34 HG3 GLU 24 2HG GLU 24 -9.514 21.479 4.757 35 HA PRO 25 HA PRO 25 -14.348 16.285 3.130 36 HB2 PRO 25 1HB PRO 25 -15.188 18.680 1.494 37 HB3 PRO 25 2HB PRO 25 -16.185 17.317 2.091 38 HG2 PRO 25 1HG PRO 25 -16.268 19.714 3.344 39 HG3 PRO 25 2HG PRO 25 -16.193 18.203 4.312 40 HD2 PRO 25 1HD PRO 25 -13.926 20.082 3.585 41 HD3 PRO 25 2HD PRO 25 -14.337 19.346 5.165 42 H VAL 26 H VAL 26 -14.246 15.360 1.003 43 HA VAL 26 HA VAL 26 -11.765 15.817 -0.458 44 HB VAL 26 HB VAL 26 -14.143 14.040 -1.153 45 HG11 VAL 26 1HG1 VAL 26 -12.862 14.531 -3.193 46 HG12 VAL 26 2HG1 VAL 26 -11.336 14.185 -2.355 47 HG13 VAL 26 3HG1 VAL 26 -12.505 12.884 -2.667 48 HG21 VAL 26 3HG2 VAL 26 -12.643 12.200 -0.373 49 HG22 VAL 26 1HG2 VAL 26 -11.464 13.415 0.165 50 HG23 VAL 26 2HG2 VAL 26 -13.062 13.317 0.930 51 H VAL 27 H VAL 27 -11.482 17.402 -1.795 52 HA VAL 27 HA VAL 27 -13.583 18.271 -3.708 53 HB VAL 27 HB VAL 27 -13.665 19.556 -1.552 54 HG11 VAL 27 1HG1 VAL 27 -11.241 19.766 -1.108 55 HG12 VAL 27 2HG1 VAL 27 -11.088 20.880 -2.482 56 HG13 VAL 27 3HG1 VAL 27 -12.078 21.324 -1.083 57 HG21 VAL 27 3HG2 VAL 27 -14.149 21.680 -2.526 58 HG22 VAL 27 1HG2 VAL 27 -13.176 21.336 -3.961 59 HG23 VAL 27 2HG2 VAL 27 -14.662 20.411 -3.650 60 H GLY 28 H GLY 28 -10.920 16.838 -3.855 61 HA2 GLY 28 1HA GLY 28 -9.932 17.545 -6.316 62 HA3 GLY 28 2HA GLY 28 -9.047 18.606 -5.235 63 H SER 29 H SER 29 -7.152 17.449 -6.037 64 HA SER 29 HA SER 29 -6.311 15.308 -4.279 65 HB2 SER 29 1HB SER 29 -7.624 14.130 -6.150 66 HB3 SER 29 2HB SER 29 -6.315 14.628 -7.233 67 HG SER 29 HG SER 29 -5.904 12.554 -6.377 68 H ARG 30 H ARG 30 -4.029 14.515 -5.051 69 HA ARG 30 HA ARG 30 -2.362 16.470 -6.418 70 HB2 ARG 30 1HB ARG 30 -2.697 17.581 -4.235 71 HB3 ARG 30 2HB ARG 30 -2.067 16.156 -3.399 72 HG2 ARG 30 1HG ARG 30 0.117 16.437 -4.436 73 HG3 ARG 30 2HG ARG 30 -0.478 17.738 -5.479 74 HD2 ARG 30 1HD ARG 30 -0.407 17.863 -2.436 75 HD3 ARG 30 2HD ARG 30 0.872 18.487 -3.495 76 HE ARG 30 HE ARG 30 -1.533 19.638 -4.387 77 HH11 ARG 30 1HH1 ARG 30 0.477 19.838 -1.485 78 HH12 ARG 30 2HH1 ARG 30 -0.033 21.463 -1.132 79 HH21 ARG 30 1HH2 ARG 30 -2.160 21.727 -3.872 80 HH22 ARG 30 2HH2 ARG 30 -1.505 22.515 -2.469 81 H ASP 31 H ASP 31 -0.838 15.341 -7.417 82 HA ASP 31 HA ASP 31 0.250 13.539 -8.257 83 HB2 ASP 31 1HB ASP 31 1.194 13.363 -5.380 84 HB3 ASP 31 2HB ASP 31 1.950 12.646 -6.805 85 H THR 32 H THR 32 0.630 11.370 -5.856 86 HA THR 32 HA THR 32 -1.942 9.909 -6.301 87 HB THR 32 HB THR 32 -0.663 7.802 -6.090 88 HG1 THR 32 1HG THR 32 1.639 8.018 -6.402 89 HG21 THR 32 3HG2 THR 32 0.277 7.791 -8.330 90 HG22 THR 32 1HG2 THR 32 -1.222 8.734 -8.324 91 HG23 THR 32 2HG2 THR 32 0.347 9.568 -8.362 92 H MET 33 H MET 33 -0.903 11.809 -4.110 93 HA MET 33 HA MET 33 -0.289 10.380 -1.749 94 HB2 MET 33 1HB MET 33 -0.001 12.809 -2.094 95 HB3 MET 33 2HB MET 33 -1.756 13.037 -2.078 96 HG2 MET 33 1HG MET 33 -1.895 12.313 0.232 97 HG3 MET 33 2HG MET 33 -0.199 11.847 0.252 98 HE1 MET 33 3HE MET 33 1.764 15.081 0.599 99 HE2 MET 33 1HE MET 33 1.727 13.321 0.828 100 HE3 MET 33 2HE MET 33 1.575 14.011 -0.805 101 H PHE 34 H PHE 34 -3.433 10.955 -3.216 102 HA PHE 34 HA PHE 34 -4.802 9.655 -0.905 103 HB2 PHE 34 1HB PHE 34 -6.027 11.382 -3.058 104 HB3 PHE 34 2HB PHE 34 -6.746 10.871 -1.532 105 HD1 PHE 34 2HD PHE 34 -5.163 11.566 0.633 106 HD2 PHE 34 1HD PHE 34 -5.364 13.594 -3.160 107 HE1 PHE 34 2HE PHE 34 -4.292 13.635 1.693 108 HE2 PHE 34 1HE PHE 34 -4.487 15.670 -2.099 109 HZ PHE 34 HZ PHE 34 -3.949 15.686 0.330 110 H THR 35 H THR 35 -3.550 8.553 -3.659 111 HA THR 35 HA THR 35 -5.782 6.631 -4.166 112 HB THR 35 HB THR 35 -5.239 6.680 -6.552 113 HG1 THR 35 1HG THR 35 -3.993 8.396 -7.326 114 HG21 THR 35 3HG2 THR 35 -6.431 8.701 -7.115 115 HG22 THR 35 1HG2 THR 35 -7.120 8.039 -5.623 116 HG23 THR 35 2HG2 THR 35 -6.034 9.444 -5.551 117 H LYS 36 H LYS 36 -2.320 7.079 -3.816 118 HA LYS 36 HA LYS 36 -1.880 4.227 -4.403 119 HB2 LYS 36 1HB LYS 36 -0.213 5.882 -5.116 120 HB3 LYS 36 2HB LYS 36 0.103 6.294 -3.416 121 HG2 LYS 36 1HG LYS 36 0.849 3.987 -2.982 122 HG3 LYS 36 2HG LYS 36 0.323 3.471 -4.582 123 HD2 LYS 36 1HD LYS 36 2.681 3.674 -4.691 124 HD3 LYS 36 2HD LYS 36 2.020 5.047 -5.586 125 HE2 LYS 36 1HE LYS 36 2.302 6.443 -3.478 126 HE3 LYS 36 2HE LYS 36 3.091 5.056 -2.721 127 HZ1 LYS 36 3HZ LYS 36 4.719 6.581 -3.678 128 HZ2 LYS 36 1HZ LYS 36 4.780 5.128 -4.434 129 HZ3 LYS 36 2HZ LYS 36 4.072 6.411 -5.172 130 H ILE 37 H ILE 37 -1.710 2.687 -3.025 131 HA ILE 37 HA ILE 37 -2.269 3.126 -0.118 132 HB ILE 37 HB ILE 37 -3.285 0.910 -1.947 133 HG12 ILE 37 1HG1 ILE 37 -4.851 3.374 -1.058 134 HG13 ILE 37 2HG1 ILE 37 -4.248 3.103 -2.691 135 HG21 ILE 37 1HG2 ILE 37 -3.146 0.440 0.521 136 HG22 ILE 37 2HG2 ILE 37 -4.253 1.799 0.800 137 HG23 ILE 37 3HG2 ILE 37 -4.781 0.373 -0.116 138 HD11 ILE 37 3HD1 ILE 37 -6.551 2.552 -2.689 139 HD12 ILE 37 1HD1 ILE 37 -5.633 1.049 -2.880 140 HD13 ILE 37 2HD1 ILE 37 -6.370 1.459 -1.307 141 H PHE 38 H PHE 38 -0.818 2.246 1.187 142 HA PHE 38 HA PHE 38 1.233 0.306 0.312 143 HB2 PHE 38 1HB PHE 38 1.999 2.027 1.818 144 HB3 PHE 38 2HB PHE 38 0.624 1.806 2.891 145 HD1 PHE 38 1HD PHE 38 3.755 0.115 1.654 146 HD2 PHE 38 2HD PHE 38 0.708 0.242 4.717 147 HE1 PHE 38 1HE PHE 38 5.067 -1.429 3.049 148 HE2 PHE 38 2HE PHE 38 2.003 -1.382 6.059 149 HZ PHE 38 HZ PHE 38 4.201 -2.240 5.210 150 H VAL 39 H VAL 39 1.071 -1.839 0.729 151 HA VAL 39 HA VAL 39 -1.128 -2.861 2.467 152 HB VAL 39 HB VAL 39 -0.559 -3.982 -0.311 153 HG11 VAL 39 1HG1 VAL 39 -1.329 -5.746 1.119 154 HG12 VAL 39 2HG1 VAL 39 -2.481 -4.702 1.946 155 HG13 VAL 39 3HG1 VAL 39 -2.780 -5.196 0.277 156 HG21 VAL 39 3HG2 VAL 39 -2.760 -3.147 -0.953 157 HG22 VAL 39 1HG2 VAL 39 -2.932 -2.319 0.615 158 HG23 VAL 39 2HG2 VAL 39 -1.690 -1.815 -0.554 159 H GLY 40 H GLY 40 0.595 -3.063 3.970 160 HA2 GLY 40 1HA GLY 40 2.489 -5.316 3.524 161 HA3 GLY 40 2HA GLY 40 2.455 -4.302 4.942 162 H GLY 41 H GLY 41 2.686 -6.719 5.572 163 HA2 GLY 41 1HA GLY 41 1.822 -8.382 6.862 164 HA3 GLY 41 2HA GLY 41 0.216 -7.629 6.770 165 H LEU 42 H LEU 42 1.979 -8.498 3.899 166 HA LEU 42 HA LEU 42 -0.011 -10.506 3.082 167 HB2 LEU 42 1HB LEU 42 2.515 -9.435 1.737 168 HB3 LEU 42 2HB LEU 42 1.346 -10.499 0.975 169 HG LEU 42 HG LEU 42 0.757 -7.655 1.918 170 HD11 LEU 42 1HD1 LEU 42 2.314 -7.726 0.006 171 HD12 LEU 42 2HD1 LEU 42 1.187 -8.766 -0.889 172 HD13 LEU 42 3HD1 LEU 42 0.731 -7.098 -0.478 173 HD21 LEU 42 3HD2 LEU 42 -1.338 -7.972 0.543 174 HD22 LEU 42 1HD2 LEU 42 -0.931 -9.691 0.395 175 HD23 LEU 42 2HD2 LEU 42 -1.277 -8.983 1.990 176 HA PRO 43 HA PRO 43 2.792 -13.914 4.073 177 HB2 PRO 43 1HB PRO 43 1.796 -15.912 2.534 178 HB3 PRO 43 2HB PRO 43 0.961 -15.322 4.002 179 HG2 PRO 43 1HG PRO 43 0.380 -14.630 1.120 180 HG3 PRO 43 2HG PRO 43 -0.776 -15.004 2.432 181 HD2 PRO 43 1HD PRO 43 -0.130 -12.420 1.663 182 HD3 PRO 43 2HD PRO 43 -0.638 -12.857 3.307 183 H TYR 44 H TYR 44 4.729 -14.627 3.120 184 HA TYR 44 HA TYR 44 5.764 -12.974 1.113 185 HB2 TYR 44 1HB TYR 44 6.833 -15.628 2.123 186 HB3 TYR 44 2HB TYR 44 7.774 -14.447 1.237 187 HD1 TYR 44 1HD TYR 44 6.793 -11.884 2.682 188 HD2 TYR 44 2HD TYR 44 8.145 -15.736 4.082 189 HE1 TYR 44 1HE TYR 44 7.595 -10.839 4.783 190 HE2 TYR 44 2HE TYR 44 8.968 -14.682 6.176 191 HH TYR 44 HH TYR 44 8.657 -11.165 6.804 192 H HIS 45 H HIS 45 3.925 -15.748 0.464 193 HA HIS 45 HA HIS 45 5.092 -16.199 -2.224 194 HB2 HIS 45 1HB HIS 45 3.531 -18.113 -2.294 195 HB3 HIS 45 2HB HIS 45 4.657 -18.154 -0.946 196 HD2 HIS 45 2HD HIS 45 3.458 -19.253 1.033 197 HE1 HIS 45 1HE HIS 45 -0.327 -17.325 0.799 198 HE2 HIS 45 2HE HIS 45 1.081 -18.983 2.124 199 H THR 46 H THR 46 2.975 -13.951 -1.076 200 HA THR 46 HA THR 46 0.956 -13.848 -3.166 201 HB THR 46 HB THR 46 2.081 -11.548 -1.506 202 HG1 THR 46 1HG THR 46 1.288 -13.079 -0.138 203 HG21 THR 46 3HG2 THR 46 -0.129 -10.532 -1.848 204 HG22 THR 46 1HG2 THR 46 0.619 -10.827 -3.422 205 HG23 THR 46 2HG2 THR 46 -0.652 -11.915 -2.818 206 H SER 47 H SER 47 1.074 -12.986 -5.207 207 HA SER 47 HA SER 47 3.664 -11.743 -6.079 208 HB2 SER 47 1HB SER 47 1.605 -13.285 -7.699 209 HB3 SER 47 2HB SER 47 3.056 -12.506 -8.337 210 HG SER 47 HG SER 47 2.988 -14.623 -6.418 211 H ASP 48 H ASP 48 3.407 -10.215 -7.949 212 HA ASP 48 HA ASP 48 1.950 -7.939 -7.208 213 HB2 ASP 48 1HB ASP 48 2.867 -8.645 -10.021 214 HB3 ASP 48 2HB ASP 48 2.649 -7.036 -9.342 215 H LYS 49 H LYS 49 1.054 -10.483 -9.540 216 HA LYS 49 HA LYS 49 -1.450 -9.249 -10.334 217 HB2 LYS 49 1HB LYS 49 -0.077 -10.850 -11.698 218 HB3 LYS 49 2HB LYS 49 -0.560 -12.151 -10.598 219 HG2 LYS 49 1HG LYS 49 -2.960 -11.690 -11.167 220 HG3 LYS 49 2HG LYS 49 -2.446 -10.434 -12.290 221 HD2 LYS 49 1HD LYS 49 -1.772 -13.405 -12.451 222 HD3 LYS 49 2HD LYS 49 -3.002 -12.592 -13.408 223 HE2 LYS 49 1HE LYS 49 -0.004 -11.999 -13.531 224 HE3 LYS 49 2HE LYS 49 -0.879 -13.045 -14.647 225 HZ1 LYS 49 3HZ LYS 49 -0.634 -10.839 -15.572 226 HZ2 LYS 49 1HZ LYS 49 -2.219 -11.131 -15.315 227 HZ3 LYS 49 2HZ LYS 49 -1.392 -10.143 -14.304 228 H THR 50 H THR 50 -0.558 -11.603 -7.795 229 HA THR 50 HA THR 50 -3.161 -12.451 -6.996 230 HB THR 50 HB THR 50 -0.861 -11.960 -5.084 231 HG1 THR 50 1HG THR 50 -1.190 -14.193 -6.802 232 HG21 THR 50 3HG2 THR 50 -1.682 -14.052 -4.032 233 HG22 THR 50 1HG2 THR 50 -2.924 -12.793 -4.046 234 HG23 THR 50 2HG2 THR 50 -3.005 -14.125 -5.218 235 H LEU 51 H LEU 51 -1.207 -9.625 -6.018 236 HA LEU 51 HA LEU 51 -3.192 -8.628 -4.186 237 HB2 LEU 51 1HB LEU 51 -0.697 -8.192 -4.119 238 HB3 LEU 51 2HB LEU 51 -0.871 -7.208 -5.569 239 HG LEU 51 HG LEU 51 -2.408 -5.669 -4.272 240 HD11 LEU 51 1HD1 LEU 51 -3.170 -7.197 -2.498 241 HD12 LEU 51 2HD1 LEU 51 -1.502 -7.358 -1.898 242 HD13 LEU 51 3HD1 LEU 51 -2.346 -5.797 -1.810 243 HD21 LEU 51 3HD2 LEU 51 -0.553 -4.638 -2.961 244 HD22 LEU 51 1HD2 LEU 51 0.408 -6.110 -3.196 245 HD23 LEU 51 2HD2 LEU 51 -0.066 -5.117 -4.596 246 H HIS 52 H HIS 52 -2.489 -7.853 -7.607 247 HA HIS 52 HA HIS 52 -4.427 -5.778 -7.906 248 HB2 HIS 52 1HB HIS 52 -2.641 -6.339 -9.547 249 HB3 HIS 52 2HB HIS 52 -3.437 -7.862 -9.900 250 HD2 HIS 52 2HD HIS 52 -3.559 -4.168 -10.796 251 HE1 HIS 52 1HE HIS 52 -6.697 -6.036 -12.977 252 HE2 HIS 52 2HE HIS 52 -5.340 -3.899 -12.707 253 H GLU 53 H GLU 53 -4.705 -9.302 -8.024 254 HA GLU 53 HA GLU 53 -7.464 -9.405 -8.900 255 HB2 GLU 53 1HB GLU 53 -5.503 -11.415 -7.767 256 HB3 GLU 53 2HB GLU 53 -7.200 -11.842 -8.038 257 HG2 GLU 53 1HG GLU 53 -7.002 -11.162 -10.416 258 HG3 GLU 53 2HG GLU 53 -5.286 -10.845 -10.187 259 H TYR 54 H TYR 54 -6.093 -8.737 -5.764 260 HA TYR 54 HA TYR 54 -8.668 -9.386 -4.430 261 HB2 TYR 54 1HB TYR 54 -6.480 -9.877 -3.307 262 HB3 TYR 54 2HB TYR 54 -6.184 -8.140 -3.211 263 HD1 TYR 54 1HD TYR 54 -8.425 -10.914 -2.153 264 HD2 TYR 54 2HD TYR 54 -7.415 -6.759 -1.586 265 HE1 TYR 54 1HE TYR 54 -9.997 -10.800 -0.232 266 HE2 TYR 54 2HE TYR 54 -8.983 -6.642 0.340 267 HH TYR 54 HH TYR 54 -10.973 -9.460 1.354 268 H PHE 55 H PHE 55 -6.718 -6.499 -5.332 269 HA PHE 55 HA PHE 55 -8.627 -4.716 -4.085 270 HB2 PHE 55 1HB PHE 55 -6.070 -4.348 -5.625 271 HB3 PHE 55 2HB PHE 55 -7.134 -2.974 -5.371 272 HD1 PHE 55 1HD PHE 55 -5.481 -5.757 -3.425 273 HD2 PHE 55 2HD PHE 55 -7.007 -1.722 -3.395 274 HE1 PHE 55 1HE PHE 55 -4.740 -5.488 -1.085 275 HE2 PHE 55 2HE PHE 55 -6.250 -1.463 -1.042 276 HZ PHE 55 HZ PHE 55 -5.154 -3.359 0.127 277 H GLU 56 H GLU 56 -8.651 -6.126 -7.231 278 HA GLU 56 HA GLU 56 -9.998 -3.999 -8.563 279 HB2 GLU 56 1HB GLU 56 -10.441 -5.604 -10.338 280 HB3 GLU 56 2HB GLU 56 -8.785 -5.640 -9.772 281 HG2 GLU 56 1HG GLU 56 -9.243 -7.872 -10.069 282 HG3 GLU 56 2HG GLU 56 -9.454 -7.684 -8.338 283 H GLN 57 H GLN 57 -11.257 -5.913 -6.081 284 HA GLN 57 HA GLN 57 -14.056 -5.759 -6.887 285 HB2 GLN 57 1HB GLN 57 -14.549 -6.678 -4.771 286 HB3 GLN 57 2HB GLN 57 -13.063 -7.468 -5.296 287 HG2 GLN 57 1HG GLN 57 -11.795 -5.763 -3.843 288 HG3 GLN 57 2HG GLN 57 -13.360 -5.245 -3.228 289 HE21 GLN 57 2HE2 GLN 57 -10.834 -7.558 -2.857 290 HE22 GLN 57 1HE2 GLN 57 -11.654 -8.543 -1.649 291 H PHE 58 H PHE 58 -11.800 -3.458 -5.617 292 HA PHE 58 HA PHE 58 -13.868 -1.806 -4.301 293 HB2 PHE 58 1HB PHE 58 -10.877 -1.374 -4.576 294 HB3 PHE 58 2HB PHE 58 -11.965 -0.513 -3.507 295 HD1 PHE 58 2HD PHE 58 -13.519 -2.460 -2.072 296 HD2 PHE 58 1HD PHE 58 -9.410 -2.702 -3.351 297 HE1 PHE 58 2HE PHE 58 -13.045 -4.079 -0.256 298 HE2 PHE 58 1HE PHE 58 -8.940 -4.329 -1.536 299 HZ PHE 58 HZ PHE 58 -10.763 -5.024 0.012 300 H GLY 59 H GLY 59 -12.369 -1.980 -7.397 301 HA2 GLY 59 1HA GLY 59 -13.682 -0.320 -8.943 302 HA3 GLY 59 2HA GLY 59 -12.830 0.900 -8.008 303 H ASP 60 H ASP 60 -11.563 1.701 -9.603 304 HA ASP 60 HA ASP 60 -10.266 -0.088 -11.557 305 HB2 ASP 60 1HB ASP 60 -10.516 2.937 -11.341 306 HB3 ASP 60 2HB ASP 60 -9.664 2.088 -12.632 307 H ILE 61 H ILE 61 -8.251 -0.769 -11.449 308 HA ILE 61 HA ILE 61 -6.294 0.495 -9.585 309 HB ILE 61 HB ILE 61 -6.132 -2.157 -11.041 310 HG12 ILE 61 1HG1 ILE 61 -6.689 -1.603 -8.088 311 HG13 ILE 61 2HG1 ILE 61 -7.935 -2.062 -9.251 312 HG21 ILE 61 1HG2 ILE 61 -3.916 -1.200 -10.582 313 HG22 ILE 61 2HG2 ILE 61 -4.384 -0.834 -8.903 314 HG23 ILE 61 3HG2 ILE 61 -4.187 -2.500 -9.452 315 HD11 ILE 61 3HD1 ILE 61 -7.240 -4.000 -7.995 316 HD12 ILE 61 1HD1 ILE 61 -6.764 -4.208 -9.680 317 HD13 ILE 61 2HD1 ILE 61 -5.561 -3.790 -8.429 318 H GLU 62 H GLU 62 -4.686 1.690 -10.282 319 HA GLU 62 HA GLU 62 -4.226 2.259 -13.127 320 HB2 GLU 62 1HB GLU 62 -4.321 3.899 -11.099 321 HB3 GLU 62 2HB GLU 62 -2.693 3.357 -10.743 322 HG2 GLU 62 1HG GLU 62 -3.648 4.630 -13.343 323 HG3 GLU 62 2HG GLU 62 -2.849 5.477 -12.022 324 H GLU 63 H GLU 63 -2.460 0.920 -10.297 325 HA GLU 63 HA GLU 63 -1.008 -1.033 -11.836 326 HB2 GLU 63 1HB GLU 63 0.365 1.002 -12.320 327 HB3 GLU 63 2HB GLU 63 0.591 1.255 -10.586 328 HG2 GLU 63 1HG GLU 63 1.850 -0.832 -10.405 329 HG3 GLU 63 2HG GLU 63 1.453 -1.264 -12.072 330 H ALA 64 H ALA 64 -0.068 -2.620 -10.423 331 HA ALA 64 HA ALA 64 -0.186 -2.181 -7.503 332 HB1 ALA 64 1HB ALA 64 -2.390 -3.133 -8.072 333 HB2 ALA 64 2HB ALA 64 -1.601 -4.458 -8.949 334 HB3 ALA 64 3HB ALA 64 -1.415 -4.328 -7.190 335 H VAL 65 H VAL 65 1.318 -3.347 -6.370 336 HA VAL 65 HA VAL 65 3.059 -5.312 -7.745 337 HB VAL 65 HB VAL 65 5.119 -4.097 -7.094 338 HG11 VAL 65 1HG1 VAL 65 4.263 -3.910 -9.416 339 HG12 VAL 65 2HG1 VAL 65 3.431 -2.400 -8.968 340 HG13 VAL 65 3HG1 VAL 65 5.199 -2.500 -8.895 341 HG21 VAL 65 3HG2 VAL 65 5.094 -1.719 -6.533 342 HG22 VAL 65 1HG2 VAL 65 3.322 -1.705 -6.503 343 HG23 VAL 65 2HG2 VAL 65 4.241 -2.641 -5.301 344 H VAL 66 H VAL 66 4.507 -6.434 -6.390 345 HA VAL 66 HA VAL 66 4.132 -6.140 -3.424 346 HB VAL 66 HB VAL 66 4.519 -8.739 -4.961 347 HG11 VAL 66 1HG1 VAL 66 5.844 -8.820 -2.882 348 HG12 VAL 66 2HG1 VAL 66 4.466 -8.198 -1.948 349 HG13 VAL 66 3HG1 VAL 66 4.396 -9.807 -2.689 350 HG21 VAL 66 3HG2 VAL 66 2.364 -9.363 -3.911 351 HG22 VAL 66 1HG2 VAL 66 2.250 -7.761 -3.158 352 HG23 VAL 66 2HG2 VAL 66 2.161 -7.928 -4.922 353 H ILE 67 H ILE 67 5.989 -5.979 -2.263 354 HA ILE 67 HA ILE 67 8.337 -5.166 -3.839 355 HB ILE 67 HB ILE 67 7.703 -4.890 -0.887 356 HG12 ILE 67 1HG1 ILE 67 6.059 -3.605 -2.039 357 HG13 ILE 67 2HG1 ILE 67 7.267 -2.481 -1.486 358 HG21 ILE 67 1HG2 ILE 67 10.074 -4.747 -1.237 359 HG22 ILE 67 2HG2 ILE 67 9.859 -3.541 -2.546 360 HG23 ILE 67 3HG2 ILE 67 9.443 -3.147 -0.878 361 HD11 ILE 67 3HD1 ILE 67 6.567 -1.811 -3.655 362 HD12 ILE 67 1HD1 ILE 67 8.230 -2.401 -3.805 363 HD13 ILE 67 2HD1 ILE 67 6.867 -3.415 -4.345 364 H THR 68 H THR 68 9.409 -6.790 -4.564 365 HA THR 68 HA THR 68 10.540 -8.884 -2.778 366 HB THR 68 HB THR 68 10.813 -10.176 -4.959 367 HG1 THR 68 1HG THR 68 10.376 -8.489 -6.381 368 HG21 THR 68 3HG2 THR 68 8.462 -10.978 -4.919 369 HG22 THR 68 1HG2 THR 68 9.173 -10.822 -3.306 370 HG23 THR 68 2HG2 THR 68 8.021 -9.596 -3.888 371 H ASP 69 H ASP 69 12.479 -8.536 -2.319 372 HA ASP 69 HA ASP 69 14.045 -6.509 -2.610 373 HB2 ASP 69 1HB ASP 69 14.343 -8.508 -1.234 374 HB3 ASP 69 2HB ASP 69 15.191 -9.278 -2.568 375 H ARG 70 H ARG 70 15.433 -5.349 -3.766 376 HA ARG 70 HA ARG 70 15.561 -5.568 -6.521 377 HB2 ARG 70 1HB ARG 70 17.290 -4.057 -4.570 378 HB3 ARG 70 2HB ARG 70 17.683 -4.069 -6.292 379 HG2 ARG 70 1HG ARG 70 15.363 -3.355 -6.842 380 HG3 ARG 70 2HG ARG 70 15.043 -3.208 -5.110 381 HD2 ARG 70 1HD ARG 70 16.731 -1.450 -4.910 382 HD3 ARG 70 2HD ARG 70 17.198 -1.660 -6.604 383 HE ARG 70 HE ARG 70 14.911 -0.966 -7.259 384 HH11 ARG 70 1HH1 ARG 70 16.082 0.300 -4.144 385 HH12 ARG 70 2HH1 ARG 70 14.604 1.230 -3.936 386 HH21 ARG 70 1HH2 ARG 70 13.162 0.450 -6.909 387 HH22 ARG 70 2HH2 ARG 70 13.110 1.341 -5.393 388 H ASN 71 H ASN 71 17.630 -7.186 -4.173 389 HA ASN 71 HA ASN 71 19.579 -8.053 -6.281 390 HB2 ASN 71 1HB ASN 71 19.969 -7.657 -3.290 391 HB3 ASN 71 2HB ASN 71 21.205 -8.166 -4.437 392 HD21 ASN 71 2HD2 ASN 71 19.833 -5.453 -2.901 393 HD22 ASN 71 1HD2 ASN 71 20.539 -4.228 -3.941 394 H THR 72 H THR 72 17.491 -9.231 -3.680 395 HA THR 72 HA THR 72 18.301 -12.063 -4.310 396 HB THR 72 HB THR 72 17.426 -12.606 -2.010 397 HG1 THR 72 1HG THR 72 17.631 -9.807 -1.649 398 HG21 THR 72 3HG2 THR 72 19.420 -11.820 -0.831 399 HG22 THR 72 1HG2 THR 72 19.857 -12.370 -2.459 400 HG23 THR 72 2HG2 THR 72 19.754 -10.630 -2.107 401 H GLN 73 H GLN 73 15.676 -9.937 -4.646 402 HA GLN 73 HA GLN 73 13.508 -10.152 -5.203 403 HB2 GLN 73 1HB GLN 73 14.500 -12.799 -6.316 404 HB3 GLN 73 2HB GLN 73 12.925 -12.109 -6.678 405 HG2 GLN 73 1HG GLN 73 15.472 -10.515 -7.216 406 HG3 GLN 73 2HG GLN 73 14.859 -11.712 -8.351 407 HE21 GLN 73 2HE2 GLN 73 14.135 -8.528 -6.845 408 HE22 GLN 73 1HE2 GLN 73 12.891 -8.136 -8.014 409 H LYS 74 H LYS 74 14.400 -11.286 -2.498 410 HA LYS 74 HA LYS 74 12.266 -13.139 -1.800 411 HB2 LYS 74 1HB LYS 74 13.259 -13.038 0.423 412 HB3 LYS 74 2HB LYS 74 14.491 -13.239 -0.812 413 HG2 LYS 74 1HG LYS 74 15.546 -11.744 0.474 414 HG3 LYS 74 2HG LYS 74 14.760 -10.659 -0.664 415 HD2 LYS 74 1HD LYS 74 12.904 -10.410 1.128 416 HD3 LYS 74 2HD LYS 74 14.024 -11.207 2.227 417 HE2 LYS 74 1HE LYS 74 14.516 -8.618 0.666 418 HE3 LYS 74 2HE LYS 74 14.130 -8.718 2.371 419 HZ1 LYS 74 3HZ LYS 74 16.515 -8.452 1.988 420 HZ2 LYS 74 1HZ LYS 74 16.246 -9.899 2.703 421 HZ3 LYS 74 2HZ LYS 74 16.584 -9.818 1.100 422 H SER 75 H SER 75 10.290 -12.648 -0.837 423 HA SER 75 HA SER 75 9.285 -9.919 -1.113 424 HB2 SER 75 1HB SER 75 7.802 -11.819 -1.455 425 HB3 SER 75 2HB SER 75 8.044 -12.340 0.226 426 HG SER 75 HG SER 75 6.117 -10.930 -0.339 427 H ARG 76 H ARG 76 9.060 -8.337 0.329 428 HA ARG 76 HA ARG 76 10.152 -8.683 3.061 429 HB2 ARG 76 1HB ARG 76 9.200 -6.190 1.605 430 HB3 ARG 76 2HB ARG 76 9.976 -6.265 3.203 431 HG2 ARG 76 1HG ARG 76 11.925 -7.471 2.024 432 HG3 ARG 76 2HG ARG 76 11.208 -6.918 0.503 433 HD2 ARG 76 1HD ARG 76 11.407 -4.585 1.231 434 HD3 ARG 76 2HD ARG 76 11.975 -5.110 2.831 435 HE ARG 76 HE ARG 76 13.532 -6.078 0.534 436 HH11 ARG 76 1HH1 ARG 76 13.287 -3.335 2.753 437 HH12 ARG 76 2HH1 ARG 76 14.944 -2.871 2.460 438 HH21 ARG 76 1HH2 ARG 76 15.685 -5.505 0.333 439 HH22 ARG 76 2HH2 ARG 76 16.169 -3.945 0.956 440 H GLY 77 H GLY 77 7.210 -9.372 1.800 441 HA2 GLY 77 1HA GLY 77 5.237 -9.909 2.917 442 HA3 GLY 77 2HA GLY 77 5.828 -9.090 4.383 443 H TYR 78 H TYR 78 6.087 -7.023 1.680 444 HA TYR 78 HA TYR 78 3.345 -6.023 1.908 445 HB2 TYR 78 1HB TYR 78 4.018 -3.765 2.361 446 HB3 TYR 78 2HB TYR 78 4.700 -4.801 3.596 447 HD1 TYR 78 1HD TYR 78 5.442 -2.560 0.780 448 HD2 TYR 78 2HD TYR 78 7.112 -5.112 3.814 449 HE1 TYR 78 1HE TYR 78 7.679 -1.489 0.457 450 HE2 TYR 78 2HE TYR 78 9.346 -4.074 3.458 451 HH TYR 78 HH TYR 78 9.907 -1.488 1.055 452 H GLY 79 H GLY 79 2.622 -4.590 0.424 453 HA2 GLY 79 1HA GLY 79 4.025 -4.323 -2.196 454 HA3 GLY 79 2HA GLY 79 2.398 -4.993 -2.098 455 H PHE 80 H PHE 80 2.444 -3.009 -3.633 456 HA PHE 80 HA PHE 80 1.066 -0.830 -2.191 457 HB2 PHE 80 1HB PHE 80 3.352 -0.485 -4.153 458 HB3 PHE 80 2HB PHE 80 2.112 0.740 -3.990 459 HD1 PHE 80 1HD PHE 80 4.752 -1.090 -2.076 460 HD2 PHE 80 2HD PHE 80 2.113 2.321 -2.206 461 HE1 PHE 80 1HE PHE 80 5.938 -0.084 -0.144 462 HE2 PHE 80 2HE PHE 80 3.313 3.317 -0.278 463 HZ PHE 80 HZ PHE 80 5.244 2.131 0.734 464 H VAL 81 H VAL 81 -0.649 0.006 -3.249 465 HA VAL 81 HA VAL 81 -1.276 -0.923 -6.038 466 HB VAL 81 HB VAL 81 -3.314 -0.813 -3.769 467 HG11 VAL 81 1HG1 VAL 81 -4.247 -0.303 -6.017 468 HG12 VAL 81 2HG1 VAL 81 -3.560 -1.808 -6.648 469 HG13 VAL 81 3HG1 VAL 81 -4.834 -1.854 -5.415 470 HG21 VAL 81 3HG2 VAL 81 -3.452 -3.294 -4.035 471 HG22 VAL 81 1HG2 VAL 81 -2.032 -3.237 -5.098 472 HG23 VAL 81 2HG2 VAL 81 -1.903 -2.757 -3.390 473 H THR 82 H THR 82 -1.750 0.760 -7.336 474 HA THR 82 HA THR 82 -2.617 3.369 -6.130 475 HB THR 82 HB THR 82 -1.326 2.954 -8.850 476 HG1 THR 82 1HG THR 82 0.177 2.561 -7.244 477 HG21 THR 82 3HG2 THR 82 -1.015 5.417 -8.701 478 HG22 THR 82 1HG2 THR 82 -2.731 4.989 -8.687 479 HG23 THR 82 2HG2 THR 82 -1.920 5.445 -7.172 480 H MET 83 H MET 83 -4.612 3.934 -6.456 481 HA MET 83 HA MET 83 -6.309 2.475 -8.419 482 HB2 MET 83 1HB MET 83 -7.162 4.424 -6.259 483 HB3 MET 83 2HB MET 83 -8.171 3.302 -7.152 484 HG2 MET 83 1HG MET 83 -6.039 2.599 -5.110 485 HG3 MET 83 2HG MET 83 -7.775 2.498 -4.892 486 HE1 MET 83 3HE MET 83 -8.862 -0.562 -6.954 487 HE2 MET 83 1HE MET 83 -9.322 0.678 -5.760 488 HE3 MET 83 2HE MET 83 -8.913 1.150 -7.425 489 H LYS 84 H LYS 84 -7.640 3.586 -9.937 490 HA LYS 84 HA LYS 84 -6.283 5.832 -11.175 491 HB2 LYS 84 1HB LYS 84 -8.894 4.424 -11.803 492 HB3 LYS 84 2HB LYS 84 -8.195 5.696 -12.805 493 HG2 LYS 84 1HG LYS 84 -6.066 4.228 -12.908 494 HG3 LYS 84 2HG LYS 84 -7.084 2.927 -12.261 495 HD2 LYS 84 1HD LYS 84 -8.657 3.308 -14.219 496 HD3 LYS 84 2HD LYS 84 -7.497 4.486 -14.854 497 HE2 LYS 84 1HE LYS 84 -5.741 2.723 -14.924 498 HE3 LYS 84 2HE LYS 84 -6.894 1.547 -14.279 499 HZ1 LYS 84 3HZ LYS 84 -6.732 1.392 -16.687 500 HZ2 LYS 84 1HZ LYS 84 -8.241 1.865 -16.279 501 HZ3 LYS 84 2HZ LYS 84 -7.174 2.953 -16.879 502 H ASP 85 H ASP 85 -8.796 5.766 -8.810 503 HA ASP 85 HA ASP 85 -8.894 8.700 -8.768 504 HB2 ASP 85 1HB ASP 85 -10.644 8.014 -10.443 505 HB3 ASP 85 2HB ASP 85 -11.454 7.101 -9.169 506 H ARG 86 H ARG 86 -9.821 9.571 -6.870 507 HA ARG 86 HA ARG 86 -9.262 8.190 -4.454 508 HB2 ARG 86 1HB ARG 86 -10.949 10.681 -4.935 509 HB3 ARG 86 2HB ARG 86 -10.479 10.072 -3.347 510 HG2 ARG 86 1HG ARG 86 -8.056 10.274 -4.043 511 HG3 ARG 86 2HG ARG 86 -8.598 11.038 -5.541 512 HD2 ARG 86 1HD ARG 86 -7.935 12.761 -4.014 513 HD3 ARG 86 2HD ARG 86 -9.688 12.851 -4.188 514 HE ARG 86 HE ARG 86 -9.226 11.199 -1.974 515 HH11 ARG 86 1HH1 ARG 86 -8.595 14.597 -2.730 516 HH12 ARG 86 2HH1 ARG 86 -8.291 14.997 -1.060 517 HH21 ARG 86 1HH2 ARG 86 -8.938 11.814 0.162 518 HH22 ARG 86 2HH2 ARG 86 -8.550 13.461 0.548 519 H ALA 87 H ALA 87 -12.311 8.347 -6.295 520 HA ALA 87 HA ALA 87 -13.975 7.287 -4.191 521 HB1 ALA 87 1HB ALA 87 -14.829 8.543 -6.148 522 HB2 ALA 87 2HB ALA 87 -14.313 7.228 -7.227 523 HB3 ALA 87 3HB ALA 87 -15.592 6.946 -6.030 524 H SER 88 H SER 88 -11.758 5.700 -6.436 525 HA SER 88 HA SER 88 -12.736 2.980 -5.695 526 HB2 SER 88 1HB SER 88 -10.336 3.887 -7.325 527 HB3 SER 88 2HB SER 88 -10.830 2.209 -7.042 528 HG SER 88 HG SER 88 -12.420 4.196 -8.352 529 H ALA 89 H ALA 89 -10.089 5.252 -4.875 530 HA ALA 89 HA ALA 89 -8.669 3.420 -3.177 531 HB1 ALA 89 1HB ALA 89 -7.717 5.476 -4.242 532 HB2 ALA 89 2HB ALA 89 -8.680 6.465 -3.118 533 HB3 ALA 89 3HB ALA 89 -7.422 5.384 -2.494 534 H GLU 90 H GLU 90 -11.326 5.742 -2.425 535 HA GLU 90 HA GLU 90 -11.181 5.298 0.387 536 HB2 GLU 90 1HB GLU 90 -13.193 6.369 0.629 537 HB3 GLU 90 2HB GLU 90 -12.385 7.182 -0.717 538 HG2 GLU 90 1HG GLU 90 -13.853 6.174 -2.310 539 HG3 GLU 90 2HG GLU 90 -14.555 5.103 -1.100 540 H ARG 91 H ARG 91 -13.033 3.641 -2.139 541 HA ARG 91 HA ARG 91 -14.397 1.750 -0.511 542 HB2 ARG 91 1HB ARG 91 -13.494 1.718 -3.401 543 HB3 ARG 91 2HB ARG 91 -14.385 0.367 -2.683 544 HG2 ARG 91 1HG ARG 91 -16.264 1.789 -2.126 545 HG3 ARG 91 2HG ARG 91 -15.402 3.239 -2.661 546 HD2 ARG 91 1HD ARG 91 -15.381 2.447 -4.975 547 HD3 ARG 91 2HD ARG 91 -16.044 0.888 -4.483 548 HE ARG 91 HE ARG 91 -18.154 1.763 -4.439 549 HH11 ARG 91 1HH1 ARG 91 -15.961 4.551 -4.477 550 HH12 ARG 91 2HH1 ARG 91 -17.284 5.679 -4.628 551 HH21 ARG 91 1HH2 ARG 91 -19.778 3.269 -4.670 552 HH22 ARG 91 2HH2 ARG 91 -19.401 4.961 -4.762 553 H ALA 92 H ALA 92 -11.085 1.722 -1.761 554 HA ALA 92 HA ALA 92 -10.508 -0.983 -0.886 555 HB1 ALA 92 1HB ALA 92 -9.431 0.085 -2.840 556 HB2 ALA 92 2HB ALA 92 -8.705 1.304 -1.774 557 HB3 ALA 92 3HB ALA 92 -8.235 -0.400 -1.626 558 H CYS 93 H CYS 93 -10.678 1.957 0.938 559 HA CYS 93 HA CYS 93 -8.881 0.797 3.022 560 HB2 CYS 93 1HB CYS 93 -8.396 2.962 3.737 561 HB3 CYS 93 2HB CYS 93 -8.374 3.062 1.972 562 HG CYS 93 HG CYS 93 -11.019 3.831 1.896 563 H LYS 94 H LYS 94 -12.150 0.835 2.432 564 HA LYS 94 HA LYS 94 -13.314 1.565 4.909 565 HB2 LYS 94 1HB LYS 94 -14.203 -0.627 2.985 566 HB3 LYS 94 2HB LYS 94 -15.198 0.150 4.202 567 HG2 LYS 94 1HG LYS 94 -14.059 1.404 1.691 568 HG3 LYS 94 2HG LYS 94 -15.740 1.000 2.002 569 HD2 LYS 94 1HD LYS 94 -15.817 2.734 3.801 570 HD3 LYS 94 2HD LYS 94 -14.128 3.164 3.426 571 HE2 LYS 94 1HE LYS 94 -14.783 3.663 1.080 572 HE3 LYS 94 2HE LYS 94 -16.467 3.296 1.465 573 HZ1 LYS 94 3HZ LYS 94 -15.940 5.703 1.534 574 HZ2 LYS 94 1HZ LYS 94 -16.494 5.161 2.982 575 HZ3 LYS 94 2HZ LYS 94 -14.897 5.452 2.769 576 H ASP 95 H ASP 95 -11.664 -1.389 4.072 577 HA ASP 95 HA ASP 95 -11.852 -2.317 6.911 578 HB2 ASP 95 1HB ASP 95 -13.084 -3.816 5.438 579 HB3 ASP 95 2HB ASP 95 -11.662 -4.028 4.417 580 HA PRO 96 HA PRO 96 -7.452 -1.429 6.173 581 HB2 PRO 96 1HB PRO 96 -6.614 -1.078 8.731 582 HB3 PRO 96 2HB PRO 96 -7.652 0.117 7.892 583 HG2 PRO 96 1HG PRO 96 -8.520 -2.089 9.793 584 HG3 PRO 96 2HG PRO 96 -8.966 -0.353 9.841 585 HD2 PRO 96 1HD PRO 96 -10.558 -2.252 8.682 586 HD3 PRO 96 2HD PRO 96 -10.447 -0.589 8.026 587 H ASN 97 H ASN 97 -8.844 -4.213 7.728 588 HA ASN 97 HA ASN 97 -6.253 -5.656 7.541 589 HB2 ASN 97 1HB ASN 97 -8.165 -5.942 9.876 590 HB3 ASN 97 2HB ASN 97 -6.681 -6.835 9.610 591 HD21 ASN 97 2HD2 ASN 97 -4.653 -5.267 9.235 592 HD22 ASN 97 1HD2 ASN 97 -4.531 -4.025 10.461 593 HA PRO 98 HA PRO 98 -9.758 -7.699 5.318 594 HB2 PRO 98 1HB PRO 98 -8.644 -7.899 2.825 595 HB3 PRO 98 2HB PRO 98 -9.415 -6.404 3.450 596 HG2 PRO 98 1HG PRO 98 -6.473 -7.138 3.386 597 HG3 PRO 98 2HG PRO 98 -7.250 -5.609 2.872 598 HD2 PRO 98 1HD PRO 98 -6.082 -5.924 5.323 599 HD3 PRO 98 2HD PRO 98 -7.537 -4.932 5.100 600 H ILE 99 H ILE 99 -6.580 -8.856 5.916 601 HA ILE 99 HA ILE 99 -5.614 -10.914 6.037 602 HB ILE 99 HB ILE 99 -8.279 -12.262 5.807 603 HG12 ILE 99 1HG1 ILE 99 -8.787 -10.540 7.373 604 HG13 ILE 99 2HG1 ILE 99 -8.601 -12.053 8.236 605 HG21 ILE 99 1HG2 ILE 99 -6.295 -13.715 5.927 606 HG22 ILE 99 2HG2 ILE 99 -5.740 -12.885 7.387 607 HG23 ILE 99 3HG2 ILE 99 -7.234 -13.841 7.413 608 HD11 ILE 99 3HD1 ILE 99 -7.616 -10.250 9.519 609 HD12 ILE 99 1HD1 ILE 99 -6.307 -11.310 8.969 610 HD13 ILE 99 2HD1 ILE 99 -6.616 -9.749 8.153 611 H ILE 100 H ILE 100 -4.929 -10.091 3.833 612 HA ILE 100 HA ILE 100 -6.020 -11.385 1.457 613 HB ILE 100 HB ILE 100 -3.533 -9.709 1.898 614 HG12 ILE 100 1HG1 ILE 100 -6.045 -9.041 0.306 615 HG13 ILE 100 2HG1 ILE 100 -5.964 -8.747 2.029 616 HG21 ILE 100 1HG2 ILE 100 -3.077 -11.189 -0.022 617 HG22 ILE 100 2HG2 ILE 100 -4.660 -10.805 -0.730 618 HG23 ILE 100 3HG2 ILE 100 -3.397 -9.567 -0.614 619 HD11 ILE 100 3HD1 ILE 100 -5.419 -6.706 0.863 620 HD12 ILE 100 1HD1 ILE 100 -3.975 -7.287 1.712 621 HD13 ILE 100 2HD1 ILE 100 -4.123 -7.508 -0.045 622 H ASP 101 H ASP 101 -5.770 -13.365 0.941 623 HA ASP 101 HA ASP 101 -5.036 -15.406 0.542 624 HB2 ASP 101 1HB ASP 101 -3.284 -13.793 -0.645 625 HB3 ASP 101 2HB ASP 101 -2.157 -14.549 0.466 626 H GLY 102 H GLY 102 -4.939 -14.463 3.446 627 HA2 GLY 102 1HA GLY 102 -5.120 -16.018 5.229 628 HA3 GLY 102 2HA GLY 102 -3.864 -17.037 4.512 629 H ARG 103 H ARG 103 -3.604 -13.517 5.124 630 HA ARG 103 HA ARG 103 -2.305 -13.868 7.707 631 HB2 ARG 103 1HB ARG 103 -0.426 -14.285 6.020 632 HB3 ARG 103 2HB ARG 103 -0.688 -12.649 5.432 633 HG2 ARG 103 1HG ARG 103 1.212 -12.622 6.868 634 HG3 ARG 103 2HG ARG 103 -0.080 -11.756 7.693 635 HD2 ARG 103 1HD ARG 103 -0.535 -13.798 9.067 636 HD3 ARG 103 2HD ARG 103 0.768 -14.635 8.226 637 HE ARG 103 HE ARG 103 1.121 -12.175 9.933 638 HH11 ARG 103 1HH1 ARG 103 2.499 -15.270 8.857 639 HH12 ARG 103 2HH1 ARG 103 3.854 -15.107 9.934 640 HH21 ARG 103 1HH2 ARG 103 2.804 -12.077 11.268 641 HH22 ARG 103 2HH2 ARG 103 4.100 -13.247 11.210 642 H LYS 104 H LYS 104 -2.413 -11.971 8.942 643 HA LYS 104 HA LYS 104 -4.419 -10.119 8.100 644 HB2 LYS 104 1HB LYS 104 -4.122 -10.839 10.422 645 HB3 LYS 104 2HB LYS 104 -2.580 -9.970 10.508 646 HG2 LYS 104 1HG LYS 104 -3.719 -7.817 10.183 647 HG3 LYS 104 2HG LYS 104 -5.244 -8.626 9.821 648 HD2 LYS 104 1HD LYS 104 -5.298 -7.713 12.059 649 HD3 LYS 104 2HD LYS 104 -5.383 -9.480 12.118 650 HE2 LYS 104 1HE LYS 104 -2.966 -9.588 12.670 651 HE3 LYS 104 2HE LYS 104 -2.851 -7.825 12.560 652 HZ1 LYS 104 3HZ LYS 104 -3.098 -8.560 14.858 653 HZ2 LYS 104 1HZ LYS 104 -4.404 -7.677 14.430 654 HZ3 LYS 104 2HZ LYS 104 -4.512 -9.307 14.528 655 H ALA 105 H ALA 105 -4.083 -8.830 6.449 656 HA ALA 105 HA ALA 105 -1.637 -7.366 5.983 657 HB1 ALA 105 1HB ALA 105 -2.983 -8.168 4.123 658 HB2 ALA 105 2HB ALA 105 -4.380 -7.219 4.678 659 HB3 ALA 105 3HB ALA 105 -2.919 -6.398 4.094 660 H ASN 106 H ASN 106 -1.559 -5.017 5.812 661 HA ASN 106 HA ASN 106 -3.452 -3.507 7.568 662 HB2 ASN 106 1HB ASN 106 -0.430 -3.202 7.463 663 HB3 ASN 106 2HB ASN 106 -1.527 -2.057 8.224 664 HD21 ASN 106 2HD2 ASN 106 0.298 -4.906 8.740 665 HD22 ASN 106 1HD2 ASN 106 -0.372 -5.301 10.319 666 H VAL 107 H VAL 107 -4.576 -2.340 6.194 667 HA VAL 107 HA VAL 107 -3.335 -1.352 3.655 668 HB VAL 107 HB VAL 107 -6.237 -2.025 4.274 669 HG11 VAL 107 1HG1 VAL 107 -6.105 -0.231 2.572 670 HG12 VAL 107 2HG1 VAL 107 -4.886 -1.167 1.674 671 HG13 VAL 107 3HG1 VAL 107 -6.550 -1.762 1.809 672 HG21 VAL 107 3HG2 VAL 107 -5.832 -3.873 2.630 673 HG22 VAL 107 1HG2 VAL 107 -4.118 -3.434 2.606 674 HG23 VAL 107 2HG2 VAL 107 -4.857 -4.057 4.097 675 H ASN 108 H ASN 108 -3.039 0.707 3.417 676 HA ASN 108 HA ASN 108 -4.935 2.757 4.130 677 HB2 ASN 108 1HB ASN 108 -3.477 4.015 5.689 678 HB3 ASN 108 2HB ASN 108 -4.037 2.501 6.363 679 HD21 ASN 108 2HD2 ASN 108 -1.129 4.094 4.876 680 HD22 ASN 108 1HD2 ASN 108 -0.019 3.107 5.798 681 H LEU 109 H LEU 109 -4.130 4.962 3.511 682 HA LEU 109 HA LEU 109 -2.868 5.017 0.955 683 HB2 LEU 109 1HB LEU 109 -3.243 7.196 3.047 684 HB3 LEU 109 2HB LEU 109 -2.694 7.487 1.399 685 HG LEU 109 HG LEU 109 -5.403 6.275 2.106 686 HD11 LEU 109 1HD1 LEU 109 -5.238 8.603 2.861 687 HD12 LEU 109 2HD1 LEU 109 -4.659 9.106 1.261 688 HD13 LEU 109 3HD1 LEU 109 -6.311 8.482 1.457 689 HD21 LEU 109 3HD2 LEU 109 -5.939 6.812 -0.284 690 HD22 LEU 109 1HD2 LEU 109 -4.228 7.226 -0.547 691 HD23 LEU 109 2HD2 LEU 109 -4.700 5.567 -0.127 692 H ALA 110 H ALA 110 -0.866 5.463 0.271 693 HA ALA 110 HA ALA 110 1.378 4.548 1.558 694 HB1 ALA 110 1HB ALA 110 1.275 4.930 -0.821 695 HB2 ALA 110 2HB ALA 110 1.301 6.695 -0.596 696 HB3 ALA 110 3HB ALA 110 2.720 5.708 -0.150 697 H TYR 111 H TYR 111 1.804 8.104 1.023 698 HA TYR 111 HA TYR 111 3.606 8.880 2.589 699 HB2 TYR 111 1HB TYR 111 2.727 11.003 2.534 700 HB3 TYR 111 2HB TYR 111 2.057 10.175 1.155 701 HD1 TYR 111 1HD TYR 111 -0.386 9.006 1.661 702 HD2 TYR 111 2HD TYR 111 1.309 12.373 3.764 703 HE1 TYR 111 1HE TYR 111 -2.647 9.692 2.392 704 HE2 TYR 111 2HE TYR 111 -0.966 13.093 4.443 705 HH TYR 111 HH TYR 111 -3.223 12.630 4.368 706 H LEU 112 H LEU 112 1.507 7.152 4.722 707 HA LEU 112 HA LEU 112 1.388 9.175 6.832 708 HB2 LEU 112 1HB LEU 112 0.561 6.250 7.007 709 HB3 LEU 112 2HB LEU 112 0.006 7.610 7.977 710 HG LEU 112 HG LEU 112 -0.624 7.005 5.073 711 HD11 LEU 112 1HD1 LEU 112 -1.913 5.719 6.754 712 HD12 LEU 112 2HD1 LEU 112 -2.468 7.246 7.475 713 HD13 LEU 112 3HD1 LEU 112 -2.929 6.827 5.807 714 HD21 LEU 112 3HD2 LEU 112 -2.111 8.977 5.114 715 HD22 LEU 112 1HD2 LEU 112 -1.348 9.479 6.648 716 HD23 LEU 112 2HD2 LEU 112 -0.387 9.356 5.150 717 H GLY 113 H GLY 113 2.675 5.845 6.657 718 HA2 GLY 113 1HA GLY 113 4.658 6.360 8.804 719 HA3 GLY 113 2HA GLY 113 4.268 4.801 8.040 720 H ALA 114 H ALA 114 4.785 7.358 5.824 721 HA ALA 114 HA ALA 114 6.794 6.011 4.417 722 HB1 ALA 114 1HB ALA 114 5.237 7.523 3.378 723 HB2 ALA 114 2HB ALA 114 5.908 8.910 4.282 724 HB3 ALA 114 3HB ALA 114 6.890 8.073 3.060 725 H LYS 115 H LYS 115 9.033 6.137 4.288 726 HA LYS 115 HA LYS 115 10.403 7.574 6.490 727 HB2 LYS 115 1HB LYS 115 11.484 5.479 4.580 728 HB3 LYS 115 2HB LYS 115 12.305 6.113 5.997 729 HG2 LYS 115 1HG LYS 115 9.944 4.253 5.856 730 HG3 LYS 115 2HG LYS 115 11.524 3.957 6.554 731 HD2 LYS 115 1HD LYS 115 11.028 5.579 8.383 732 HD3 LYS 115 2HD LYS 115 9.415 5.849 7.705 733 HE2 LYS 115 1HE LYS 115 10.496 3.212 8.781 734 HE3 LYS 115 2HE LYS 115 9.309 4.265 9.565 735 HZ1 LYS 115 3HZ LYS 115 8.192 2.466 8.410 736 HZ2 LYS 115 1HZ LYS 115 7.856 3.877 7.601 737 HZ3 LYS 115 2HZ LYS 115 8.963 2.792 7.028 738 HA PRO 116 HA PRO 116 12.219 10.558 3.715 739 HB2 PRO 116 1HB PRO 116 14.309 11.498 5.177 740 HB3 PRO 116 2HB PRO 116 12.610 11.743 5.683 741 HG2 PRO 116 1HG PRO 116 14.529 9.574 6.604 742 HG3 PRO 116 2HG PRO 116 13.541 10.677 7.620 743 HD2 PRO 116 1HD PRO 116 12.715 8.156 6.989 744 HD3 PRO 116 2HD PRO 116 11.554 9.510 7.116 745 H ARG 117 H ARG 117 14.245 11.102 2.593 746 HA ARG 117 HA ARG 117 16.282 8.938 2.360 747 HB2 ARG 117 1HB ARG 117 14.751 10.279 0.091 748 HB3 ARG 117 2HB ARG 117 16.211 9.333 -0.166 749 HG2 ARG 117 1HG ARG 117 13.643 8.223 1.034 750 HG3 ARG 117 2HG ARG 117 14.165 8.060 -0.641 751 HD2 ARG 117 1HD ARG 117 16.217 6.874 0.092 752 HD3 ARG 117 2HD ARG 117 15.692 6.976 1.771 753 HE ARG 117 HE ARG 117 14.600 5.246 -0.355 754 HH11 ARG 117 1HH1 ARG 117 14.038 6.404 2.975 755 HH12 ARG 117 2HH1 ARG 117 13.033 5.005 3.311 756 HH21 ARG 117 1HH2 ARG 117 13.193 3.650 0.178 757 HH22 ARG 117 2HH2 ARG 117 12.536 3.558 1.797 758 H THR 118 H THR 118 16.059 11.803 3.471 759 HA THR 118 HA THR 118 17.325 13.697 3.715 760 HB THR 118 HB THR 118 19.694 13.196 4.219 761 HG1 THR 118 1HG THR 118 20.029 11.585 2.636 762 HG21 THR 118 3HG2 THR 118 19.256 11.662 6.052 763 HG22 THR 118 1HG2 THR 118 17.903 12.791 5.885 764 HG23 THR 118 2HG2 THR 118 17.743 11.118 5.302 765 H ASN 119 H ASN 119 16.480 13.757 1.144 766 HA ASN 119 HA ASN 119 18.590 14.195 -0.746 767 HB2 ASN 119 1HB ASN 119 16.231 13.597 -1.311 768 HB3 ASN 119 2HB ASN 119 15.716 15.197 -0.772 769 HD21 ASN 119 2HD2 ASN 119 14.857 15.533 -2.968 770 HD22 ASN 119 1HD2 ASN 119 15.963 15.944 -4.266 771 H VAL 120 H VAL 120 19.297 16.154 -1.685 772 HA VAL 120 HA VAL 120 18.842 18.761 -0.571 773 HB VAL 120 HB VAL 120 20.202 17.880 1.280 774 HG11 VAL 120 1HG1 VAL 120 21.582 16.208 0.060 775 HG12 VAL 120 2HG1 VAL 120 22.497 17.534 -0.693 776 HG13 VAL 120 3HG1 VAL 120 22.547 17.301 1.062 777 HG21 VAL 120 3HG2 VAL 120 21.799 19.680 1.443 778 HG22 VAL 120 1HG2 VAL 120 21.764 19.948 -0.309 779 HG23 VAL 120 2HG2 VAL 120 20.320 20.280 0.676 780 H GLN 121 H GLN 121 19.556 20.338 -1.935 781 HA GLN 121 HA GLN 121 21.302 19.735 -4.250 782 HB2 GLN 121 1HB GLN 121 18.393 20.620 -4.497 783 HB3 GLN 121 2HB GLN 121 19.576 20.640 -5.807 784 HG2 GLN 121 1HG GLN 121 19.859 18.161 -5.550 785 HG3 GLN 121 2HG GLN 121 18.544 18.156 -4.369 786 HE21 GLN 121 2HE2 GLN 121 18.967 17.164 -7.382 787 HE22 GLN 121 1HE2 GLN 121 17.439 17.659 -8.099 788 H5' G 7 H5' G 7 6.642 -10.255 13.241 789 H5'' G 7 H5" G 7 5.380 -10.536 12.037 790 H4' G 7 H4' G 7 7.526 -12.526 12.842 791 H3' G 7 H3' G 7 7.268 -10.858 10.312 792 H2' G 7 H2' G 7 8.607 -12.555 9.312 793 HO2' G 7 2HO G 7 10.175 -12.615 11.127 794 H1' G 7 H1' G 7 7.547 -14.531 11.117 795 H8 G 7 8H G 7 7.387 -16.251 9.375 796 H1 G 7 1H G 7 4.160 -12.483 5.255 797 H21 G 7 1H2 G 7 3.954 -10.492 6.081 798 H22 G 7 2H2 G 7 4.622 -10.077 7.658 799 HO5' G 7 H5T G 7 4.695 -10.959 14.251 800 H5' U 8 H5' U 8 8.737 -7.576 12.441 801 H5'' U 8 H5" U 8 7.186 -8.311 12.018 802 H4' U 8 H4' U 8 8.269 -5.711 10.857 803 H3' U 8 H3' U 8 7.446 -5.976 13.448 804 H2' U 8 H2' U 8 5.451 -7.105 12.986 805 HO2' U 8 2HO U 8 4.985 -4.336 13.250 806 H1' U 8 H1' U 8 4.709 -5.200 10.758 807 H3 U 8 3H U 8 1.111 -8.117 11.673 808 H5 U 8 5H U 8 4.128 -10.551 10.098 809 H6 U 8 6H U 8 5.614 -8.627 10.057 810 H5' G 9 H5' G 9 8.748 -1.652 10.171 811 H5'' G 9 H5" G 9 7.345 -2.724 10.268 812 H4' G 9 H4' G 9 9.904 -3.433 8.767 813 H3' G 9 H3' G 9 7.366 -2.078 7.852 814 H2' G 9 H2' G 9 7.538 -3.225 5.771 815 HO2' G 9 2HO G 9 10.026 -2.974 5.918 816 H1' G 9 H1' G 9 8.295 -5.637 6.884 817 H8 G 9 8H G 9 6.246 -6.747 5.944 818 H1 G 9 1H G 9 2.162 -2.593 8.701 819 H21 G 9 1H2 G 9 3.361 -1.038 9.838 820 H22 G 9 2H2 G 9 5.114 -1.123 9.805 821 H5' U 10 H5' U 10 7.430 -1.425 4.139 822 H5'' U 10 H5" U 10 9.063 -0.844 4.453 823 H4' U 10 H4' U 10 8.144 0.139 2.421 824 H3' U 10 H3' U 10 9.505 1.636 4.230 825 H2' U 10 H2' U 10 7.474 2.152 5.423 826 HO2' U 10 2HO U 10 8.269 4.310 3.845 827 H1' U 10 H1' U 10 6.303 2.904 2.734 828 H3 U 10 3H U 10 2.316 4.421 4.277 829 H5 U 10 5H U 10 3.627 1.963 7.397 830 H6 U 10 6H U 10 5.600 1.386 6.077 831 H5' G 11 H5' G 11 9.631 4.397 -1.094 832 H5'' G 11 H5" G 11 8.391 4.058 0.122 833 H4' G 11 H4' G 11 9.493 1.602 0.002 834 H3' G 11 H3' G 11 10.239 2.842 -2.633 835 H2' G 11 H2' G 11 9.331 1.074 -3.822 836 HO2' G 11 2HO G 11 10.524 -0.367 -2.129 837 H1' G 11 H1' G 11 7.334 0.220 -1.959 838 H8 G 11 8H G 11 5.852 3.290 -2.090 839 H1 G 11 1H G 11 5.880 1.077 -8.136 840 H21 G 11 1H2 G 11 7.297 -0.678 -8.259 841 H22 G 11 2H2 G 11 8.138 -1.208 -6.811 842 H5' C 12 H5' C 12 12.942 0.773 0.175 843 H5'' C 12 H5" C 12 14.653 1.197 0.172 844 H4' C 12 H4' C 12 14.249 -1.104 0.920 845 H3' C 12 H3' C 12 16.188 -0.354 -0.989 846 HO3' C 12 H3T C 12 17.285 -2.107 -0.082 847 H2' C 12 H2' C 12 15.134 -1.372 -2.784 848 HO2' C 12 2HO C 12 17.104 -2.701 -2.351 849 H1' C 12 H1' C 12 14.184 -3.537 -0.926 850 H41 C 12 1H4 C 12 11.107 -5.909 -5.616 851 H42 C 12 2H4 C 12 11.102 -4.471 -6.629 852 H5 C 12 5H C 12 12.196 -2.465 -5.854 853 H6 C 12 6H C 12 13.457 -1.551 -4.012
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