NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3142 | 1d8b | 4445 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 11 HN GLU 11 19.530 -1.863 -1.700 2 HA GLU 11 HA GLU 11 17.461 -0.708 -3.428 3 1HB GLU 11 HB2 GLU 11 19.374 -2.473 -4.136 4 2HB GLU 11 HB3 GLU 11 18.095 -3.588 -3.664 5 1HG GLU 11 HG2 GLU 11 17.408 -3.341 -5.772 6 2HG GLU 11 HG3 GLU 11 16.719 -1.827 -5.185 7 H LEU 12 HN LEU 12 17.422 -1.240 -0.510 8 HA LEU 12 HA LEU 12 15.475 -3.347 -0.138 9 1HB LEU 12 HB2 LEU 12 17.066 -1.541 1.563 10 2HB LEU 12 HB3 LEU 12 15.487 -1.970 2.198 11 HG LEU 12 HG LEU 12 17.033 -4.246 1.167 12 1HD1 LEU 12 HD11 LEU 12 18.544 -2.451 2.559 13 2HD1 LEU 12 HD12 LEU 12 17.944 -3.499 3.844 14 3HD1 LEU 12 HD13 LEU 12 18.841 -4.188 2.494 15 1HD2 LEU 12 HD21 LEU 12 16.127 -5.322 3.081 16 2HD2 LEU 12 HD22 LEU 12 15.712 -3.774 3.819 17 3HD2 LEU 12 HD23 LEU 12 14.857 -4.316 2.376 18 H ASN 13 HN ASN 13 14.312 -2.057 -1.890 19 HA ASN 13 HA ASN 13 12.970 0.299 -1.476 20 1HB ASN 13 HB2 ASN 13 13.200 -1.259 -3.579 21 2HB ASN 13 HB3 ASN 13 11.673 -1.924 -3.008 22 1HD2 ASN 13 HD21 ASN 13 13.263 1.119 -3.867 23 2HD2 ASN 13 HD22 ASN 13 11.826 1.883 -4.465 24 H ASN 14 HN ASN 14 11.936 0.645 0.348 25 HA ASN 14 HA ASN 14 10.360 -1.227 1.768 26 1HB ASN 14 HB2 ASN 14 11.299 1.323 2.269 27 2HB ASN 14 HB3 ASN 14 9.567 1.581 2.103 28 1HD2 ASN 14 HD21 ASN 14 10.876 2.035 4.476 29 2HD2 ASN 14 HD22 ASN 14 10.372 0.857 5.637 30 H LEU 15 HN LEU 15 9.744 0.933 -0.873 31 HA LEU 15 HA LEU 15 6.933 1.024 -0.803 32 1HB LEU 15 HB2 LEU 15 8.913 2.073 -2.358 33 2HB LEU 15 HB3 LEU 15 8.218 0.893 -3.451 34 HG LEU 15 HG LEU 15 6.322 2.709 -2.075 35 1HD1 LEU 15 HD11 LEU 15 7.686 4.462 -2.593 36 2HD1 LEU 15 HD12 LEU 15 8.459 3.610 -3.931 37 3HD1 LEU 15 HD13 LEU 15 6.840 4.283 -4.131 38 1HD2 LEU 15 HD21 LEU 15 5.161 2.549 -4.176 39 2HD2 LEU 15 HD22 LEU 15 6.552 1.776 -4.933 40 3HD2 LEU 15 HD23 LEU 15 5.653 0.930 -3.675 41 H ARG 16 HN ARG 16 9.210 -1.331 -2.056 42 HA ARG 16 HA ARG 16 7.300 -2.921 -3.444 43 1HB ARG 16 HB2 ARG 16 9.624 -3.140 -4.034 44 2HB ARG 16 HB3 ARG 16 10.061 -3.530 -2.378 45 1HG ARG 16 HG2 ARG 16 10.089 -5.496 -3.846 46 2HG ARG 16 HG3 ARG 16 8.927 -5.651 -2.531 47 1HD ARG 16 HD2 ARG 16 7.332 -6.081 -4.018 48 2HD ARG 16 HD3 ARG 16 7.547 -4.460 -4.675 49 HE ARG 16 HE ARG 16 8.699 -5.347 -6.463 50 1HH1 ARG 16 HH12 ARG 16 8.296 -7.859 -4.022 51 2HH1 ARG 16 HH11 ARG 16 8.774 -9.133 -5.104 52 1HH2 ARG 16 HH22 ARG 16 9.333 -7.027 -7.840 53 2HH2 ARG 16 HH21 ARG 16 9.381 -8.663 -7.251 54 H MET 17 HN MET 17 8.648 -2.885 -0.203 55 HA MET 17 HA MET 17 7.400 -5.275 0.702 56 1HB MET 17 HB2 MET 17 9.210 -3.454 1.772 57 2HB MET 17 HB3 MET 17 7.785 -3.243 2.777 58 1HG MET 17 HG2 MET 17 8.636 -4.932 3.961 59 2HG MET 17 HG3 MET 17 7.979 -5.951 2.681 60 1HE MET 17 HE1 MET 17 11.756 -4.535 4.005 61 2HE MET 17 HE2 MET 17 12.118 -4.165 2.318 62 3HE MET 17 HE3 MET 17 10.698 -3.461 3.089 63 H THR 18 HN THR 18 6.476 -1.924 0.464 64 HA THR 18 HA THR 18 4.117 -2.025 2.016 65 HB THR 18 HB THR 18 4.757 -0.178 -0.299 66 HG1 THR 18 HG1 THR 18 6.340 -0.214 1.458 67 1HG2 THR 18 HG21 THR 18 3.032 1.181 0.370 68 2HG2 THR 18 HG22 THR 18 3.118 0.639 2.048 69 3HG2 THR 18 HG23 THR 18 2.363 -0.387 0.830 70 H TYR 19 HN TYR 19 4.661 -2.167 -1.494 71 HA TYR 19 HA TYR 19 2.036 -2.600 -2.319 72 1HB TYR 19 HB2 TYR 19 3.851 -1.989 -3.834 73 2HB TYR 19 HB3 TYR 19 4.640 -3.532 -3.538 74 HD1 TYR 19 HD1 TYR 19 1.534 -2.039 -4.965 75 HD2 TYR 19 HD2 TYR 19 4.184 -5.366 -4.913 76 HE1 TYR 19 HE1 TYR 19 0.390 -2.980 -6.934 77 HE2 TYR 19 HE2 TYR 19 3.056 -6.312 -6.869 78 HH TYR 19 HH TYR 19 0.072 -5.119 -8.072 79 H GLU 20 HN GLU 20 4.533 -4.868 -1.298 80 HA GLU 20 HA GLU 20 3.040 -7.209 -1.897 81 1HB GLU 20 HB2 GLU 20 5.266 -7.716 -1.805 82 2HB GLU 20 HB3 GLU 20 5.584 -6.553 -0.525 83 1HG GLU 20 HG2 GLU 20 4.210 -8.167 0.928 84 2HG GLU 20 HG3 GLU 20 4.592 -9.347 -0.325 85 H ARG 21 HN ARG 21 3.595 -5.311 1.074 86 HA ARG 21 HA ARG 21 2.249 -7.026 2.851 87 1HB ARG 21 HB2 ARG 21 3.647 -4.733 3.140 88 2HB ARG 21 HB3 ARG 21 2.006 -4.136 3.387 89 1HG ARG 21 HG2 ARG 21 2.493 -4.726 5.519 90 2HG ARG 21 HG3 ARG 21 1.892 -6.285 4.949 91 1HD ARG 21 HD2 ARG 21 4.762 -5.407 5.117 92 2HD ARG 21 HD3 ARG 21 3.980 -6.572 6.174 93 HE ARG 21 HE ARG 21 5.094 -7.045 3.573 94 1HH1 ARG 21 HH12 ARG 21 2.653 -8.196 5.830 95 2HH1 ARG 21 HH11 ARG 21 2.559 -9.775 5.112 96 1HH2 ARG 21 HH22 ARG 21 5.001 -9.138 2.684 97 2HH2 ARG 21 HH21 ARG 21 3.891 -10.316 3.340 98 H LEU 22 HN LEU 22 1.166 -4.556 0.646 99 HA LEU 22 HA LEU 22 -1.532 -4.373 1.601 100 1HB LEU 22 HB2 LEU 22 0.006 -3.472 -0.780 101 2HB LEU 22 HB3 LEU 22 -1.737 -3.548 -0.929 102 HG LEU 22 HG LEU 22 -0.586 -2.124 1.411 103 1HD1 LEU 22 HD11 LEU 22 -0.902 -0.152 -0.498 104 2HD1 LEU 22 HD12 LEU 22 0.625 -0.756 0.141 105 3HD1 LEU 22 HD13 LEU 22 -0.033 -1.429 -1.351 106 1HD2 LEU 22 HD21 LEU 22 -2.831 -1.994 1.583 107 2HD2 LEU 22 HD22 LEU 22 -2.621 -0.648 0.464 108 3HD2 LEU 22 HD23 LEU 22 -3.092 -2.237 -0.148 109 H ARG 23 HN ARG 23 0.135 -6.205 -0.920 110 HA ARG 23 HA ARG 23 -2.144 -7.400 -2.080 111 1HB ARG 23 HB2 ARG 23 0.054 -7.365 -3.157 112 2HB ARG 23 HB3 ARG 23 0.710 -8.379 -1.884 113 1HG ARG 23 HG2 ARG 23 0.038 -10.237 -2.893 114 2HG ARG 23 HG3 ARG 23 -1.592 -9.592 -3.145 115 1HD ARG 23 HD2 ARG 23 0.586 -8.491 -4.829 116 2HD ARG 23 HD3 ARG 23 0.096 -10.145 -5.148 117 HE ARG 23 HE ARG 23 -2.276 -8.986 -5.143 118 1HH1 ARG 23 HH12 ARG 23 0.745 -8.027 -6.633 119 2HH1 ARG 23 HH11 ARG 23 -0.018 -7.053 -7.853 120 1HH2 ARG 23 HH22 ARG 23 -3.290 -7.806 -6.820 121 2HH2 ARG 23 HH21 ARG 23 -2.312 -6.929 -7.962 122 H GLU 24 HN GLU 24 -0.019 -8.360 0.577 123 HA GLU 24 HA GLU 24 -1.255 -10.884 1.043 124 1HB GLU 24 HB2 GLU 24 0.974 -9.461 1.983 125 2HB GLU 24 HB3 GLU 24 -0.030 -9.753 3.392 126 1HG GLU 24 HG2 GLU 24 -0.057 -12.153 2.851 127 2HG GLU 24 HG3 GLU 24 1.025 -11.828 1.490 128 H LEU 25 HN LEU 25 -1.712 -7.632 2.304 129 HA LEU 25 HA LEU 25 -3.503 -8.408 4.375 130 1HB LEU 25 HB2 LEU 25 -2.072 -6.150 3.774 131 2HB LEU 25 HB3 LEU 25 -3.703 -5.655 3.380 132 HG LEU 25 HG LEU 25 -2.436 -5.908 5.957 133 1HD1 LEU 25 HD11 LEU 25 -5.026 -4.881 6.201 134 2HD1 LEU 25 HD12 LEU 25 -3.506 -3.994 6.081 135 3HD1 LEU 25 HD13 LEU 25 -4.429 -4.366 4.623 136 1HD2 LEU 25 HD21 LEU 25 -3.447 -7.800 6.664 137 2HD2 LEU 25 HD22 LEU 25 -4.842 -6.742 6.863 138 3HD2 LEU 25 HD23 LEU 25 -4.688 -7.742 5.414 139 H SER 26 HN SER 26 -3.890 -7.247 1.060 140 HA SER 26 HA SER 26 -6.679 -6.845 1.130 141 1HB SER 26 HB2 SER 26 -5.030 -7.717 -1.265 142 2HB SER 26 HB3 SER 26 -6.597 -6.916 -1.302 143 HG SER 26 HG SER 26 -4.140 -5.840 -0.397 144 H LEU 27 HN LEU 27 -4.717 -9.717 0.470 145 HA LEU 27 HA LEU 27 -7.014 -11.311 -0.199 146 1HB LEU 27 HB2 LEU 27 -4.153 -11.604 -0.276 147 2HB LEU 27 HB3 LEU 27 -4.872 -13.006 0.495 148 HG LEU 27 HG LEU 27 -6.312 -13.344 -1.468 149 1HD1 LEU 27 HD11 LEU 27 -5.721 -10.693 -2.006 150 2HD1 LEU 27 HD12 LEU 27 -4.868 -11.590 -3.263 151 3HD1 LEU 27 HD13 LEU 27 -6.606 -11.804 -3.050 152 1HD2 LEU 27 HD21 LEU 27 -4.643 -14.221 -2.917 153 2HD2 LEU 27 HD22 LEU 27 -3.439 -13.072 -2.332 154 3HD2 LEU 27 HD23 LEU 27 -4.021 -14.365 -1.276 155 H ASN 28 HN ASN 28 -5.207 -10.561 2.661 156 HA ASN 28 HA ASN 28 -6.163 -12.701 4.278 157 1HB ASN 28 HB2 ASN 28 -4.550 -10.283 4.639 158 2HB ASN 28 HB3 ASN 28 -5.555 -10.645 6.035 159 1HD2 ASN 28 HD21 ASN 28 -2.872 -11.676 4.075 160 2HD2 ASN 28 HD22 ASN 28 -2.295 -12.903 5.157 161 H LEU 29 HN LEU 29 -6.977 -9.225 4.343 162 HA LEU 29 HA LEU 29 -9.251 -9.564 6.001 163 1HB LEU 29 HB2 LEU 29 -8.547 -7.322 4.099 164 2HB LEU 29 HB3 LEU 29 -9.824 -7.251 5.296 165 HG LEU 29 HG LEU 29 -7.014 -7.802 6.155 166 1HD1 LEU 29 HD11 LEU 29 -7.834 -5.006 6.237 167 2HD1 LEU 29 HD12 LEU 29 -6.282 -5.732 5.817 168 3HD1 LEU 29 HD13 LEU 29 -7.565 -5.636 4.612 169 1HD2 LEU 29 HD21 LEU 29 -7.791 -7.448 8.205 170 2HD2 LEU 29 HD22 LEU 29 -8.673 -6.001 7.721 171 3HD2 LEU 29 HD23 LEU 29 -9.403 -7.593 7.507 172 H GLY 30 HN GLY 30 -8.753 -9.633 2.542 173 1HA GLY 30 HA1 GLY 30 -11.410 -9.293 1.737 174 2HA GLY 30 HA2 GLY 30 -10.173 -10.109 0.798 175 H ASN 31 HN ASN 31 -9.680 -12.167 2.790 176 HA ASN 31 HA ASN 31 -11.938 -13.877 2.094 177 1HB ASN 31 HB2 ASN 31 -9.373 -14.465 1.994 178 2HB ASN 31 HB3 ASN 31 -9.568 -14.776 3.714 179 1HD2 ASN 31 HD21 ASN 31 -10.331 -15.848 0.506 180 2HD2 ASN 31 HD22 ASN 31 -10.993 -17.378 0.970 181 H ARG 32 HN ARG 32 -10.992 -11.916 4.650 182 HA ARG 32 HA ARG 32 -12.315 -13.494 6.700 183 1HB ARG 32 HB2 ARG 32 -10.163 -11.934 6.887 184 2HB ARG 32 HB3 ARG 32 -11.381 -10.710 7.210 185 1HG ARG 32 HG2 ARG 32 -11.858 -11.541 9.250 186 2HG ARG 32 HG3 ARG 32 -11.657 -13.215 8.733 187 1HD ARG 32 HD2 ARG 32 -9.523 -11.237 9.503 188 2HD ARG 32 HD3 ARG 32 -9.924 -12.764 10.291 189 HE ARG 32 HE ARG 32 -9.150 -13.765 8.044 190 1HH1 ARG 32 HH12 ARG 32 -7.849 -10.886 9.525 191 2HH1 ARG 32 HH11 ARG 32 -6.267 -11.071 8.822 192 1HH2 ARG 32 HH22 ARG 32 -7.117 -14.056 7.134 193 2HH2 ARG 32 HH21 ARG 32 -5.849 -12.906 7.447 194 H MET 33 HN MET 33 -13.267 -11.486 4.288 195 HA MET 33 HA MET 33 -15.412 -10.236 5.833 196 1HB MET 33 HB2 MET 33 -14.210 -8.781 4.265 197 2HB MET 33 HB3 MET 33 -14.605 -9.862 2.940 198 1HG MET 33 HG2 MET 33 -16.878 -9.294 3.002 199 2HG MET 33 HG3 MET 33 -16.722 -8.523 4.579 200 1HE MET 33 HE1 MET 33 -15.737 -6.227 5.031 201 2HE MET 33 HE2 MET 33 -16.016 -4.954 3.844 202 3HE MET 33 HE3 MET 33 -17.354 -5.975 4.374 203 H VAL 34 HN VAL 34 -17.585 -10.727 5.467 204 HA VAL 34 HA VAL 34 -18.037 -13.038 3.688 205 HB VAL 34 HB VAL 34 -19.770 -12.583 6.092 206 1HG1 VAL 34 HG11 VAL 34 -20.051 -14.296 4.094 207 2HG1 VAL 34 HG12 VAL 34 -18.959 -15.255 5.091 208 3HG1 VAL 34 HG13 VAL 34 -20.505 -14.710 5.747 209 1HG2 VAL 34 HG21 VAL 34 -18.373 -13.615 7.587 210 2HG2 VAL 34 HG22 VAL 34 -17.448 -14.430 6.331 211 3HG2 VAL 34 HG23 VAL 34 -17.203 -12.706 6.632 212 HA PRO 35 HA PRO 35 -18.952 -13.679 2.154 213 1HB PRO 35 HB2 PRO 35 -19.413 -13.157 -0.441 214 2HB PRO 35 HB3 PRO 35 -20.684 -13.768 0.622 215 1HG PRO 35 HG2 PRO 35 -20.166 -10.969 -0.296 216 2HG PRO 35 HG3 PRO 35 -21.711 -11.832 -0.162 217 1HD PRO 35 HD2 PRO 35 -20.799 -10.052 1.707 218 2HD PRO 35 HD3 PRO 35 -21.894 -11.397 2.079 219 HA PRO 36 HA PRO 36 -14.875 -12.302 1.243 220 1HB PRO 36 HB2 PRO 36 -15.005 -14.079 -1.154 221 2HB PRO 36 HB3 PRO 36 -13.776 -13.982 0.117 222 1HG PRO 36 HG2 PRO 36 -15.523 -15.964 0.139 223 2HG PRO 36 HG3 PRO 36 -15.076 -15.161 1.651 224 1HD PRO 36 HD2 PRO 36 -17.568 -14.865 0.016 225 2HD PRO 36 HD3 PRO 36 -17.373 -14.881 1.782 226 H VAL 37 HN VAL 37 -13.937 -10.707 0.181 227 HA VAL 37 HA VAL 37 -15.470 -9.222 -1.720 228 HB VAL 37 HB VAL 37 -12.617 -8.546 -1.243 229 1HG1 VAL 37 HG11 VAL 37 -13.408 -6.718 -2.241 230 2HG1 VAL 37 HG12 VAL 37 -15.083 -7.205 -1.977 231 3HG1 VAL 37 HG13 VAL 37 -14.205 -6.348 -0.712 232 1HG2 VAL 37 HG21 VAL 37 -14.650 -8.744 0.910 233 2HG2 VAL 37 HG22 VAL 37 -12.912 -9.032 0.966 234 3HG2 VAL 37 HG23 VAL 37 -13.535 -7.377 0.934 235 H GLY 38 HN GLY 38 -12.465 -11.103 -1.854 236 1HA GLY 38 HA1 GLY 38 -11.576 -12.172 -3.738 237 2HA GLY 38 HA2 GLY 38 -12.773 -11.340 -4.733 238 H ASN 39 HN ASN 39 -12.501 -8.847 -4.580 239 HA ASN 39 HA ASN 39 -9.643 -8.239 -4.919 240 1HB ASN 39 HB2 ASN 39 -11.279 -8.129 -6.985 241 2HB ASN 39 HB3 ASN 39 -11.770 -6.600 -6.256 242 1HD2 ASN 39 HD21 ASN 39 -10.927 -5.685 -8.254 243 2HD2 ASN 39 HD22 ASN 39 -9.229 -5.362 -8.374 244 H PHE 40 HN PHE 40 -9.569 -7.798 -2.672 245 HA PHE 40 HA PHE 40 -11.240 -5.997 -1.320 246 1HB PHE 40 HB2 PHE 40 -9.690 -7.623 -0.256 247 2HB PHE 40 HB3 PHE 40 -8.333 -6.623 -0.753 248 HD1 PHE 40 HD1 PHE 40 -7.390 -5.592 1.003 249 HD2 PHE 40 HD2 PHE 40 -11.630 -5.896 0.882 250 HE1 PHE 40 HE1 PHE 40 -7.521 -4.325 3.094 251 HE2 PHE 40 HE2 PHE 40 -11.783 -4.611 2.980 252 HZ PHE 40 HZ PHE 40 -9.726 -3.826 4.093 253 H MET 41 HN MET 41 -8.209 -5.519 -3.036 254 HA MET 41 HA MET 41 -8.872 -2.729 -3.439 255 1HB MET 41 HB2 MET 41 -7.377 -3.029 -1.348 256 2HB MET 41 HB3 MET 41 -6.097 -3.427 -2.481 257 1HG MET 41 HG2 MET 41 -6.155 -1.043 -1.743 258 2HG MET 41 HG3 MET 41 -6.199 -1.285 -3.492 259 1HE MET 41 HE1 MET 41 -8.863 -0.322 -0.366 260 2HE MET 41 HE2 MET 41 -7.328 0.489 -0.686 261 3HE MET 41 HE3 MET 41 -8.846 1.272 -1.121 262 HA PRO 42 HA PRO 42 -7.611 -4.105 -7.472 263 1HB PRO 42 HB2 PRO 42 -7.450 -1.180 -8.004 264 2HB PRO 42 HB3 PRO 42 -8.360 -2.435 -8.857 265 1HG PRO 42 HG2 PRO 42 -9.587 -0.697 -7.263 266 2HG PRO 42 HG3 PRO 42 -10.090 -2.399 -7.320 267 1HD PRO 42 HD2 PRO 42 -8.425 -0.977 -5.267 268 2HD PRO 42 HD3 PRO 42 -9.699 -2.189 -5.034 269 H ASP 43 HN ASP 43 -5.762 -4.298 -8.619 270 HA ASP 43 HA ASP 43 -3.296 -4.054 -7.423 271 1HB ASP 43 HB2 ASP 43 -3.962 -5.396 -9.488 272 2HB ASP 43 HB3 ASP 43 -3.673 -3.926 -10.414 273 H SER 44 HN SER 44 -4.889 -1.751 -9.599 274 HA SER 44 HA SER 44 -2.714 -0.001 -9.913 275 1HB SER 44 HB2 SER 44 -5.037 1.554 -10.076 276 2HB SER 44 HB3 SER 44 -4.194 0.759 -11.412 277 HG SER 44 HG SER 44 -6.465 0.203 -11.178 278 H ILE 45 HN ILE 45 -5.438 0.066 -7.616 279 HA ILE 45 HA ILE 45 -4.662 2.455 -6.331 280 HB ILE 45 HB ILE 45 -6.233 0.185 -5.123 281 1HG1 ILE 45 HG12 ILE 45 -7.168 0.964 -7.295 282 2HG1 ILE 45 HG13 ILE 45 -8.233 1.291 -5.931 283 1HG2 ILE 45 HG21 ILE 45 -6.903 2.910 -4.349 284 2HG2 ILE 45 HG22 ILE 45 -6.595 1.495 -3.344 285 3HG2 ILE 45 HG23 ILE 45 -5.247 2.468 -3.937 286 1HD1 ILE 45 HD11 ILE 45 -8.243 3.462 -6.389 287 2HD1 ILE 45 HD12 ILE 45 -6.482 3.532 -6.435 288 3HD1 ILE 45 HD13 ILE 45 -7.386 3.085 -7.882 289 H LEU 46 HN LEU 46 -3.876 -0.947 -5.753 290 HA LEU 46 HA LEU 46 -2.550 -0.623 -3.279 291 1HB LEU 46 HB2 LEU 46 -2.051 -2.636 -5.479 292 2HB LEU 46 HB3 LEU 46 -1.390 -2.751 -3.859 293 HG LEU 46 HG LEU 46 -4.359 -2.646 -4.329 294 1HD1 LEU 46 HD11 LEU 46 -4.356 -5.098 -4.255 295 2HD1 LEU 46 HD12 LEU 46 -3.515 -4.477 -5.679 296 3HD1 LEU 46 HD13 LEU 46 -2.591 -5.085 -4.307 297 1HD2 LEU 46 HD21 LEU 46 -2.656 -3.788 -2.113 298 2HD2 LEU 46 HD22 LEU 46 -3.576 -2.284 -2.044 299 3HD2 LEU 46 HD23 LEU 46 -4.421 -3.827 -2.189 300 H LYS 47 HN LYS 47 -1.504 -0.199 -6.603 301 HA LYS 47 HA LYS 47 1.267 0.056 -6.065 302 1HB LYS 47 HB2 LYS 47 -0.537 0.521 -8.346 303 2HB LYS 47 HB3 LYS 47 0.956 1.443 -8.361 304 1HG LYS 47 HG2 LYS 47 2.255 -0.609 -8.203 305 2HG LYS 47 HG3 LYS 47 0.769 -1.555 -8.124 306 1HD LYS 47 HD2 LYS 47 1.086 0.295 -10.419 307 2HD LYS 47 HD3 LYS 47 2.101 -1.149 -10.402 308 1HE LYS 47 HE2 LYS 47 0.032 -2.510 -10.071 309 2HE LYS 47 HE3 LYS 47 -0.911 -1.033 -10.268 310 1HZ LYS 47 HZ1 LYS 47 -0.788 -2.252 -12.328 311 2HZ LYS 47 HZ2 LYS 47 0.909 -2.215 -12.284 312 3HZ LYS 47 HZ3 LYS 47 0.034 -0.772 -12.471 313 H LYS 48 HN LYS 48 -1.161 2.577 -6.833 314 HA LYS 48 HA LYS 48 0.621 4.722 -6.405 315 1HB LYS 48 HB2 LYS 48 -1.664 6.008 -6.069 316 2HB LYS 48 HB3 LYS 48 -1.177 5.422 -7.649 317 1HG LYS 48 HG2 LYS 48 -2.584 3.462 -7.392 318 2HG LYS 48 HG3 LYS 48 -3.043 3.996 -5.774 319 1HD LYS 48 HD2 LYS 48 -4.804 4.883 -6.865 320 2HD LYS 48 HD3 LYS 48 -3.671 6.191 -7.204 321 1HE LYS 48 HE2 LYS 48 -3.196 4.300 -9.189 322 2HE LYS 48 HE3 LYS 48 -4.952 4.334 -9.015 323 1HZ LYS 48 HZ1 LYS 48 -4.521 6.007 -10.555 324 2HZ LYS 48 HZ2 LYS 48 -3.123 6.533 -9.758 325 3HZ LYS 48 HZ3 LYS 48 -4.647 6.870 -9.101 326 H MET 49 HN MET 49 -1.711 3.151 -4.252 327 HA MET 49 HA MET 49 -1.360 5.016 -2.161 328 1HB MET 49 HB2 MET 49 -2.912 3.824 -1.052 329 2HB MET 49 HB3 MET 49 -3.145 3.060 -2.615 330 1HG MET 49 HG2 MET 49 -2.350 1.090 -1.907 331 2HG MET 49 HG3 MET 49 -1.087 1.838 -0.925 332 1HE MET 49 HE1 MET 49 -5.379 0.849 0.350 333 2HE MET 49 HE2 MET 49 -4.906 1.367 -1.268 334 3HE MET 49 HE3 MET 49 -4.388 -0.204 -0.661 335 H ALA 50 HN ALA 50 0.425 2.192 -3.137 336 HA ALA 50 HA ALA 50 1.888 1.936 -0.691 337 1HB ALA 50 HB1 ALA 50 3.410 0.834 -2.775 338 2HB ALA 50 HB2 ALA 50 2.355 -0.013 -1.641 339 3HB ALA 50 HB3 ALA 50 1.721 0.551 -3.187 340 H ALA 51 HN ALA 51 2.289 3.777 -3.627 341 HA ALA 51 HA ALA 51 5.026 4.497 -2.967 342 1HB ALA 51 HB1 ALA 51 4.084 4.111 -5.317 343 2HB ALA 51 HB2 ALA 51 3.391 5.724 -5.160 344 3HB ALA 51 HB3 ALA 51 5.139 5.503 -5.072 345 H ILE 52 HN ILE 52 1.859 6.099 -3.114 346 HA ILE 52 HA ILE 52 2.993 8.611 -2.255 347 HB ILE 52 HB ILE 52 0.254 7.630 -2.919 348 1HG1 ILE 52 HG12 ILE 52 0.470 9.990 -4.134 349 2HG1 ILE 52 HG13 ILE 52 2.184 9.675 -3.909 350 1HG2 ILE 52 HG21 ILE 52 -0.366 8.780 -0.997 351 2HG2 ILE 52 HG22 ILE 52 0.849 10.036 -1.237 352 3HG2 ILE 52 HG23 ILE 52 -0.576 9.965 -2.283 353 1HD1 ILE 52 HD11 ILE 52 1.875 7.503 -5.062 354 2HD1 ILE 52 HD12 ILE 52 0.205 7.963 -5.376 355 3HD1 ILE 52 HD13 ILE 52 1.519 8.906 -6.076 356 H LEU 53 HN LEU 53 1.308 5.914 -0.808 357 HA LEU 53 HA LEU 53 0.711 5.382 1.311 358 1HB LEU 53 HB2 LEU 53 3.369 6.721 1.625 359 2HB LEU 53 HB3 LEU 53 2.504 6.131 3.029 360 HG LEU 53 HG LEU 53 3.138 4.368 0.677 361 1HD1 LEU 53 HD11 LEU 53 4.927 5.403 2.697 362 2HD1 LEU 53 HD12 LEU 53 4.823 3.643 2.749 363 3HD1 LEU 53 HD13 LEU 53 5.275 4.452 1.250 364 1HD2 LEU 53 HD21 LEU 53 1.871 2.917 1.777 365 2HD2 LEU 53 HD22 LEU 53 3.012 2.973 3.123 366 3HD2 LEU 53 HD23 LEU 53 1.632 4.073 3.085 367 HA PRO 54 HA PRO 54 -1.082 9.534 2.324 368 1HB PRO 54 HB2 PRO 54 -3.689 8.526 1.702 369 2HB PRO 54 HB3 PRO 54 -2.765 9.752 0.837 370 1HG PRO 54 HG2 PRO 54 -3.394 7.252 -0.153 371 2HG PRO 54 HG3 PRO 54 -2.081 8.277 -0.750 372 1HD PRO 54 HD2 PRO 54 -1.974 5.939 1.097 373 2HD PRO 54 HD3 PRO 54 -0.822 6.445 -0.156 374 H MET 55 HN MET 55 -1.213 9.706 4.455 375 HA MET 55 HA MET 55 -2.378 7.529 6.027 376 1HB MET 55 HB2 MET 55 -0.429 9.696 6.486 377 2HB MET 55 HB3 MET 55 -1.472 9.321 7.846 378 1HG MET 55 HG2 MET 55 -0.779 6.873 7.361 379 2HG MET 55 HG3 MET 55 0.562 7.625 6.502 380 1HE MET 55 HE1 MET 55 -1.567 7.800 9.525 381 2HE MET 55 HE2 MET 55 -0.473 7.719 10.900 382 3HE MET 55 HE3 MET 55 -0.825 9.277 10.148 383 H ASN 56 HN ASN 56 -3.683 10.012 4.515 384 HA ASN 56 HA ASN 56 -5.786 10.299 6.483 385 1HB ASN 56 HB2 ASN 56 -3.819 12.244 6.434 386 2HB ASN 56 HB3 ASN 56 -5.074 12.913 5.395 387 1HD2 ASN 56 HD21 ASN 56 -4.316 14.045 7.814 388 2HD2 ASN 56 HD22 ASN 56 -5.649 13.933 8.915 389 H ASP 57 HN ASP 57 -7.715 11.286 5.625 390 HA ASP 57 HA ASP 57 -8.263 10.441 2.974 391 1HB ASP 57 HB2 ASP 57 -10.319 10.480 3.858 392 2HB ASP 57 HB3 ASP 57 -9.750 11.413 5.236 393 H SER 58 HN SER 58 -7.469 13.528 4.409 394 HA SER 58 HA SER 58 -8.057 15.158 2.182 395 1HB SER 58 HB2 SER 58 -5.940 16.338 3.601 396 2HB SER 58 HB3 SER 58 -7.665 16.642 3.832 397 HG SER 58 HG SER 58 -5.999 15.571 5.552 398 H ALA 59 HN ALA 59 -5.462 13.008 2.925 399 HA ALA 59 HA ALA 59 -3.675 14.128 0.920 400 1HB ALA 59 HB1 ALA 59 -3.351 11.754 2.746 401 2HB ALA 59 HB2 ALA 59 -2.121 12.372 1.647 402 3HB ALA 59 HB3 ALA 59 -2.681 13.367 2.993 403 H PHE 60 HN PHE 60 -5.858 11.485 1.419 404 HA PHE 60 HA PHE 60 -5.161 9.652 -0.503 405 1HB PHE 60 HB2 PHE 60 -7.632 10.385 0.909 406 2HB PHE 60 HB3 PHE 60 -7.891 9.570 -0.634 407 HD1 PHE 60 HD1 PHE 60 -8.485 8.615 2.251 408 HD2 PHE 60 HD2 PHE 60 -5.302 7.925 -0.476 409 HE1 PHE 60 HE1 PHE 60 -8.054 6.439 3.304 410 HE2 PHE 60 HE2 PHE 60 -4.861 5.754 0.568 411 HZ PHE 60 HZ PHE 60 -6.231 5.012 2.467 412 H ALA 61 HN ALA 61 -6.565 12.779 -0.983 413 HA ALA 61 HA ALA 61 -7.711 12.455 -3.511 414 1HB ALA 61 HB1 ALA 61 -7.912 14.734 -3.573 415 2HB ALA 61 HB2 ALA 61 -7.716 14.465 -1.842 416 3HB ALA 61 HB3 ALA 61 -6.343 15.005 -2.810 417 H THR 62 HN THR 62 -4.356 12.519 -2.610 418 HA THR 62 HA THR 62 -3.419 13.340 -5.210 419 HB THR 62 HB THR 62 -1.162 12.665 -4.365 420 HG1 THR 62 HG1 THR 62 -2.570 12.260 -1.902 421 1HG2 THR 62 HG21 THR 62 -2.832 14.616 -2.794 422 2HG2 THR 62 HG22 THR 62 -1.791 14.950 -4.181 423 3HG2 THR 62 HG23 THR 62 -1.082 14.485 -2.636 424 H LEU 63 HN LEU 63 -4.820 10.554 -4.184 425 HA LEU 63 HA LEU 63 -3.121 8.630 -5.498 426 1HB LEU 63 HB2 LEU 63 -5.884 8.536 -4.311 427 2HB LEU 63 HB3 LEU 63 -5.258 7.187 -5.236 428 HG LEU 63 HG LEU 63 -4.252 8.250 -2.605 429 1HD1 LEU 63 HD11 LEU 63 -5.662 5.844 -3.571 430 2HD1 LEU 63 HD12 LEU 63 -4.433 5.605 -2.329 431 3HD1 LEU 63 HD13 LEU 63 -5.789 6.696 -2.033 432 1HD2 LEU 63 HD21 LEU 63 -2.572 6.297 -2.925 433 2HD2 LEU 63 HD22 LEU 63 -2.861 6.574 -4.646 434 3HD2 LEU 63 HD23 LEU 63 -2.223 7.874 -3.638 435 H GLY 64 HN GLY 64 -5.049 11.031 -6.622 436 1HA GLY 64 HA1 GLY 64 -5.507 11.551 -8.827 437 2HA GLY 64 HA2 GLY 64 -5.107 9.905 -9.276 438 H THR 65 HN THR 65 -6.777 8.227 -8.521 439 HA THR 65 HA THR 65 -9.477 9.321 -8.394 440 HB THR 65 HB THR 65 -9.715 7.314 -10.274 441 HG1 THR 65 HG1 THR 65 -7.703 9.101 -11.214 442 1HG2 THR 65 HG21 THR 65 -10.194 10.162 -10.056 443 2HG2 THR 65 HG22 THR 65 -11.131 8.929 -10.900 444 3HG2 THR 65 HG23 THR 65 -9.765 9.703 -11.704 445 H VAL 66 HN VAL 66 -9.974 8.350 -6.450 446 HA VAL 66 HA VAL 66 -9.950 5.410 -6.513 447 HB VAL 66 HB VAL 66 -10.099 5.472 -3.999 448 1HG1 VAL 66 HG11 VAL 66 -7.451 6.495 -4.286 449 2HG1 VAL 66 HG12 VAL 66 -8.002 4.830 -4.101 450 3HG1 VAL 66 HG13 VAL 66 -7.875 5.546 -5.711 451 1HG2 VAL 66 HG21 VAL 66 -10.628 7.928 -3.888 452 2HG2 VAL 66 HG22 VAL 66 -9.410 7.339 -2.757 453 3HG2 VAL 66 HG23 VAL 66 -8.919 8.228 -4.209 454 H GLU 67 HN GLU 67 -11.870 4.548 -6.657 455 HA GLU 67 HA GLU 67 -14.232 5.976 -6.838 456 1HB GLU 67 HB2 GLU 67 -13.435 3.268 -6.990 457 2HB GLU 67 HB3 GLU 67 -14.784 3.335 -5.867 458 1HG GLU 67 HG2 GLU 67 -14.915 4.644 -8.553 459 2HG GLU 67 HG3 GLU 67 -15.279 2.936 -8.326 460 H ASP 68 HN ASP 68 -16.048 6.178 -5.424 461 HA ASP 68 HA ASP 68 -15.395 6.828 -2.766 462 1HB ASP 68 HB2 ASP 68 -17.405 7.600 -4.205 463 2HB ASP 68 HB3 ASP 68 -18.194 6.138 -3.620 464 H LYS 69 HN LYS 69 -16.567 3.909 -4.290 465 HA LYS 69 HA LYS 69 -17.207 2.532 -1.864 466 1HB LYS 69 HB2 LYS 69 -17.506 0.588 -3.197 467 2HB LYS 69 HB3 LYS 69 -18.065 1.932 -4.177 468 1HG LYS 69 HG2 LYS 69 -15.543 1.807 -5.040 469 2HG LYS 69 HG3 LYS 69 -15.762 0.125 -4.560 470 1HD LYS 69 HD2 LYS 69 -17.631 1.631 -6.397 471 2HD LYS 69 HD3 LYS 69 -16.318 0.588 -6.952 472 1HE LYS 69 HE2 LYS 69 -17.811 -0.871 -5.047 473 2HE LYS 69 HE3 LYS 69 -18.963 -0.123 -6.153 474 1HZ LYS 69 HZ1 LYS 69 -17.584 -1.046 -8.003 475 2HZ LYS 69 HZ2 LYS 69 -18.359 -2.218 -7.057 476 3HZ LYS 69 HZ3 LYS 69 -16.703 -1.920 -6.848 477 H TYR 70 HN TYR 70 -14.340 3.139 -3.683 478 HA TYR 70 HA TYR 70 -12.742 1.089 -2.461 479 1HB TYR 70 HB2 TYR 70 -12.073 3.528 -4.118 480 2HB TYR 70 HB3 TYR 70 -10.827 2.479 -3.460 481 HD1 TYR 70 HD1 TYR 70 -10.802 2.883 -6.272 482 HD2 TYR 70 HD2 TYR 70 -13.195 0.178 -4.037 483 HE1 TYR 70 HE1 TYR 70 -10.994 1.433 -8.246 484 HE2 TYR 70 HE2 TYR 70 -13.402 -1.276 -5.999 485 HH TYR 70 HH TYR 70 -12.979 -0.466 -8.955 486 H ARG 71 HN ARG 71 -13.494 4.451 -1.923 487 HA ARG 71 HA ARG 71 -11.546 5.039 0.015 488 1HB ARG 71 HB2 ARG 71 -13.440 6.468 -1.315 489 2HB ARG 71 HB3 ARG 71 -14.137 6.397 0.292 490 1HG ARG 71 HG2 ARG 71 -12.707 7.897 1.091 491 2HG ARG 71 HG3 ARG 71 -11.322 7.078 0.369 492 1HD ARG 71 HD2 ARG 71 -11.782 9.445 -0.420 493 2HD ARG 71 HD3 ARG 71 -11.593 8.218 -1.674 494 HE ARG 71 HE ARG 71 -14.315 8.487 -0.982 495 1HH1 ARG 71 HH12 ARG 71 -11.774 10.239 -2.629 496 2HH1 ARG 71 HH11 ARG 71 -12.858 11.002 -3.757 497 1HH2 ARG 71 HH22 ARG 71 -15.757 9.491 -2.449 498 2HH2 ARG 71 HH21 ARG 71 -15.129 10.600 -3.640 499 H ARG 72 HN ARG 72 -14.688 3.524 0.217 500 HA ARG 72 HA ARG 72 -15.096 3.721 2.995 501 1HB ARG 72 HB2 ARG 72 -16.065 1.633 1.038 502 2HB ARG 72 HB3 ARG 72 -16.619 1.765 2.701 503 1HG ARG 72 HG2 ARG 72 -17.798 3.701 2.295 504 2HG ARG 72 HG3 ARG 72 -16.833 4.105 0.869 505 1HD ARG 72 HD2 ARG 72 -18.667 3.313 -0.211 506 2HD ARG 72 HD3 ARG 72 -17.824 1.782 0.056 507 HE ARG 72 HE ARG 72 -20.043 2.792 1.733 508 1HH1 ARG 72 HH12 ARG 72 -18.234 0.151 0.315 509 2HH1 ARG 72 HH11 ARG 72 -19.248 -1.081 1.000 510 1HH2 ARG 72 HH22 ARG 72 -21.354 1.186 2.664 511 2HH2 ARG 72 HH21 ARG 72 -21.009 -0.496 2.373 512 H ARG 73 HN ARG 73 -14.205 0.744 1.242 513 HA ARG 73 HA ARG 73 -13.384 -0.593 3.585 514 1HB ARG 73 HB2 ARG 73 -13.111 -2.420 2.279 515 2HB ARG 73 HB3 ARG 73 -14.041 -1.452 1.152 516 1HG ARG 73 HG2 ARG 73 -11.064 -1.326 1.078 517 2HG ARG 73 HG3 ARG 73 -11.905 -2.707 0.366 518 1HD ARG 73 HD2 ARG 73 -12.314 0.200 -0.290 519 2HD ARG 73 HD3 ARG 73 -11.504 -0.992 -1.310 520 HE ARG 73 HE ARG 73 -14.374 -0.680 -0.885 521 1HH1 ARG 73 HH12 ARG 73 -11.804 -2.642 -2.227 522 2HH1 ARG 73 HH11 ARG 73 -12.855 -3.446 -3.357 523 1HH2 ARG 73 HH22 ARG 73 -15.739 -1.743 -2.364 524 2HH2 ARG 73 HH21 ARG 73 -15.073 -2.946 -3.430 525 H PHE 74 HN PHE 74 -11.941 1.885 2.058 526 HA PHE 74 HA PHE 74 -9.177 1.323 2.086 527 1HB PHE 74 HB2 PHE 74 -10.852 3.612 1.761 528 2HB PHE 74 HB3 PHE 74 -9.619 4.015 2.949 529 HD1 PHE 74 HD1 PHE 74 -10.137 4.947 -0.042 530 HD2 PHE 74 HD2 PHE 74 -7.401 2.276 1.835 531 HE1 PHE 74 HE1 PHE 74 -8.507 5.346 -1.842 532 HE2 PHE 74 HE2 PHE 74 -5.778 2.682 0.036 533 HZ PHE 74 HZ PHE 74 -6.332 4.214 -1.802 534 H LYS 75 HN LYS 75 -11.429 2.254 4.585 535 HA LYS 75 HA LYS 75 -9.777 2.992 6.688 536 1HB LYS 75 HB2 LYS 75 -11.650 2.404 8.140 537 2HB LYS 75 HB3 LYS 75 -12.221 3.223 6.695 538 1HG LYS 75 HG2 LYS 75 -12.975 1.153 5.734 539 2HG LYS 75 HG3 LYS 75 -12.250 0.237 7.066 540 1HD LYS 75 HD2 LYS 75 -14.387 0.339 7.834 541 2HD LYS 75 HD3 LYS 75 -13.785 1.859 8.506 542 1HE LYS 75 HE2 LYS 75 -14.607 2.978 6.409 543 2HE LYS 75 HE3 LYS 75 -15.387 1.453 5.994 544 1HZ LYS 75 HZ1 LYS 75 -17.043 2.655 7.039 545 2HZ LYS 75 HZ2 LYS 75 -16.001 3.299 8.203 546 3HZ LYS 75 HZ3 LYS 75 -16.462 1.669 8.292 547 H TYR 76 HN TYR 76 -10.304 -0.196 5.389 548 HA TYR 76 HA TYR 76 -9.380 -1.525 7.784 549 1HB TYR 76 HB2 TYR 76 -9.900 -2.604 5.010 550 2HB TYR 76 HB3 TYR 76 -9.576 -3.575 6.439 551 HD1 TYR 76 HD1 TYR 76 -12.126 -2.726 4.367 552 HD2 TYR 76 HD2 TYR 76 -11.202 -2.622 8.523 553 HE1 TYR 76 HE1 TYR 76 -14.529 -2.773 4.903 554 HE2 TYR 76 HE2 TYR 76 -13.598 -2.667 9.064 555 HH TYR 76 HH TYR 76 -15.683 -3.232 8.157 556 H PHE 77 HN PHE 77 -7.861 0.135 5.360 557 HA PHE 77 HA PHE 77 -5.447 -1.549 5.442 558 1HB PHE 77 HB2 PHE 77 -6.649 0.282 3.462 559 2HB PHE 77 HB3 PHE 77 -4.897 0.359 3.601 560 HD1 PHE 77 HD1 PHE 77 -7.218 -0.834 1.589 561 HD2 PHE 77 HD2 PHE 77 -4.047 -2.360 3.979 562 HE1 PHE 77 HE1 PHE 77 -7.034 -2.778 0.094 563 HE2 PHE 77 HE2 PHE 77 -3.872 -4.309 2.496 564 HZ PHE 77 HZ PHE 77 -5.361 -4.516 0.548 565 H LYS 78 HN LYS 78 -6.771 1.354 6.589 566 HA LYS 78 HA LYS 78 -4.726 3.166 6.660 567 1HB LYS 78 HB2 LYS 78 -7.248 3.002 7.750 568 2HB LYS 78 HB3 LYS 78 -6.223 3.108 9.173 569 1HG LYS 78 HG2 LYS 78 -6.567 5.317 8.796 570 2HG LYS 78 HG3 LYS 78 -5.130 5.085 7.800 571 1HD LYS 78 HD2 LYS 78 -6.539 6.221 6.347 572 2HD LYS 78 HD3 LYS 78 -6.846 4.532 5.921 573 1HE LYS 78 HE2 LYS 78 -9.000 5.297 6.113 574 2HE LYS 78 HE3 LYS 78 -8.712 4.745 7.758 575 1HZ LYS 78 HZ1 LYS 78 -9.399 7.328 6.899 576 2HZ LYS 78 HZ2 LYS 78 -7.850 7.401 7.576 577 3HZ LYS 78 HZ3 LYS 78 -9.140 6.770 8.481 578 H ALA 79 HN ALA 79 -5.134 0.415 8.875 579 HA ALA 79 HA ALA 79 -3.167 1.249 10.731 580 1HB ALA 79 HB1 ALA 79 -4.848 -0.418 11.293 581 2HB ALA 79 HB2 ALA 79 -4.127 -1.546 10.145 582 3HB ALA 79 HB3 ALA 79 -3.220 -1.033 11.571 583 H THR 80 HN THR 80 -2.965 -0.510 7.708 584 HA THR 80 HA THR 80 -0.180 -1.184 8.147 585 HB THR 80 HB THR 80 -1.620 -1.524 5.526 586 HG1 THR 80 HG1 THR 80 -2.979 -2.437 7.128 587 1HG2 THR 80 HG21 THR 80 -0.180 -3.602 5.509 588 2HG2 THR 80 HG22 THR 80 0.619 -2.960 6.944 589 3HG2 THR 80 HG23 THR 80 0.696 -2.074 5.421 590 H ILE 81 HN ILE 81 -2.084 0.981 6.064 591 HA ILE 81 HA ILE 81 0.048 2.025 4.553 592 HB ILE 81 HB ILE 81 -2.423 3.563 5.385 593 1HG1 ILE 81 HG12 ILE 81 -2.103 1.942 2.855 594 2HG1 ILE 81 HG13 ILE 81 -2.837 1.268 4.310 595 1HG2 ILE 81 HG21 ILE 81 -1.948 4.460 2.943 596 2HG2 ILE 81 HG22 ILE 81 -1.129 5.146 4.344 597 3HG2 ILE 81 HG23 ILE 81 -0.297 3.971 3.323 598 1HD1 ILE 81 HD11 ILE 81 -4.327 2.323 2.466 599 2HD1 ILE 81 HD12 ILE 81 -4.680 2.618 4.171 600 3HD1 ILE 81 HD13 ILE 81 -3.844 3.842 3.221 601 H ALA 82 HN ALA 82 -1.316 3.061 7.656 602 HA ALA 82 HA ALA 82 0.215 5.400 7.979 603 1HB ALA 82 HB1 ALA 82 -0.812 5.580 9.954 604 2HB ALA 82 HB2 ALA 82 -1.795 4.237 9.375 605 3HB ALA 82 HB3 ALA 82 -0.417 3.932 10.438 606 H ASP 83 HN ASP 83 0.847 2.041 8.828 607 HA ASP 83 HA ASP 83 3.226 2.526 10.309 608 1HB ASP 83 HB2 ASP 83 1.605 0.348 9.859 609 2HB ASP 83 HB3 ASP 83 3.057 -0.080 8.955 610 H LEU 84 HN LEU 84 2.659 1.520 6.937 611 HA LEU 84 HA LEU 84 5.424 1.382 6.291 612 1HB LEU 84 HB2 LEU 84 3.063 1.666 4.443 613 2HB LEU 84 HB3 LEU 84 4.691 1.212 3.969 614 HG LEU 84 HG LEU 84 3.394 -0.457 6.051 615 1HD1 LEU 84 HD11 LEU 84 2.737 -1.170 3.266 616 2HD1 LEU 84 HD12 LEU 84 1.823 -1.421 4.751 617 3HD1 LEU 84 HD13 LEU 84 1.822 0.162 3.972 618 1HD2 LEU 84 HD21 LEU 84 5.660 -0.925 5.279 619 2HD2 LEU 84 HD22 LEU 84 4.568 -2.233 4.825 620 3HD2 LEU 84 HD23 LEU 84 5.084 -1.052 3.620 621 H SER 85 HN SER 85 3.068 3.974 6.233 622 HA SER 85 HA SER 85 4.637 5.744 4.626 623 1HB SER 85 HB2 SER 85 2.132 5.895 5.035 624 2HB SER 85 HB3 SER 85 2.526 6.558 6.629 625 HG SER 85 HG SER 85 2.341 7.863 4.372 626 H LYS 86 HN LYS 86 4.473 4.894 7.983 627 HA LYS 86 HA LYS 86 6.087 7.102 8.903 628 1HB LYS 86 HB2 LYS 86 4.458 5.098 10.101 629 2HB LYS 86 HB3 LYS 86 6.086 4.890 10.735 630 1HG LYS 86 HG2 LYS 86 5.924 6.706 12.016 631 2HG LYS 86 HG3 LYS 86 5.264 7.675 10.694 632 1HD LYS 86 HD2 LYS 86 3.549 7.633 12.289 633 2HD LYS 86 HD3 LYS 86 3.073 6.413 11.106 634 1HE LYS 86 HE2 LYS 86 2.724 5.585 13.362 635 2HE LYS 86 HE3 LYS 86 3.996 4.660 12.558 636 1HZ LYS 86 HZ1 LYS 86 5.645 5.701 13.834 637 2HZ LYS 86 HZ2 LYS 86 4.405 5.382 14.942 638 3HZ LYS 86 HZ3 LYS 86 4.612 6.952 14.332 639 H LYS 87 HN LYS 87 6.527 3.705 8.085 640 HA LYS 87 HA LYS 87 9.276 3.596 8.883 641 1HB LYS 87 HB2 LYS 87 7.547 1.759 7.213 642 2HB LYS 87 HB3 LYS 87 9.229 1.416 7.599 643 1HG LYS 87 HG2 LYS 87 7.507 2.058 9.895 644 2HG LYS 87 HG3 LYS 87 7.144 0.550 9.053 645 1HD LYS 87 HD2 LYS 87 9.951 0.699 9.303 646 2HD LYS 87 HD3 LYS 87 9.275 1.119 10.879 647 1HE LYS 87 HE2 LYS 87 8.361 -0.956 11.192 648 2HE LYS 87 HE3 LYS 87 8.125 -1.232 9.468 649 1HZ LYS 87 HZ1 LYS 87 9.925 -2.500 9.554 650 2HZ LYS 87 HZ2 LYS 87 10.277 -2.024 11.140 651 3HZ LYS 87 HZ3 LYS 87 10.858 -1.111 9.834 652 H ARG 88 HN ARG 88 7.685 4.858 6.178 653 HA ARG 88 HA ARG 88 9.450 4.298 4.086 654 1HB ARG 88 HB2 ARG 88 7.263 5.293 3.695 655 2HB ARG 88 HB3 ARG 88 7.722 6.741 4.578 656 1HG ARG 88 HG2 ARG 88 9.327 7.315 2.867 657 2HG ARG 88 HG3 ARG 88 8.990 5.813 2.004 658 1HD ARG 88 HD2 ARG 88 7.754 7.461 0.874 659 2HD ARG 88 HD3 ARG 88 6.577 6.618 1.880 660 HE ARG 88 HE ARG 88 7.732 8.979 3.096 661 1HH1 ARG 88 HH12 ARG 88 5.114 7.694 1.147 662 2HH1 ARG 88 HH11 ARG 88 4.052 9.031 1.440 663 1HH2 ARG 88 HH22 ARG 88 6.292 10.722 3.561 664 2HH2 ARG 88 HH21 ARG 88 4.710 10.750 2.835 665 H SER 89 HN SER 89 9.644 6.625 6.693 666 HA SER 89 HA SER 89 12.035 7.834 5.530 667 1HB SER 89 HB2 SER 89 11.229 8.838 8.139 668 2HB SER 89 HB3 SER 89 11.407 9.701 6.610 669 HG SER 89 HG SER 89 9.174 9.234 7.779 670 H SER 90 HN SER 90 11.587 5.104 7.054 671 HA SER 90 HA SER 90 13.873 5.428 8.886 672 1HB SER 90 HB2 SER 90 12.058 3.065 9.089 673 2HB SER 90 HB3 SER 90 12.936 3.931 10.360 674 HG SER 90 HG SER 90 11.449 5.684 10.023 675 H GLU 91 HN GLU 91 12.363 3.270 6.517 676 HA GLU 91 HA GLU 91 15.024 2.093 6.057 677 1HB GLU 91 HB2 GLU 91 12.321 0.750 6.034 678 2HB GLU 91 HB3 GLU 91 13.766 0.013 5.354 679 1HG GLU 91 HG2 GLU 91 14.708 -0.359 7.387 680 2HG GLU 91 HG3 GLU 91 13.877 0.989 8.155 Start of MODEL 2 1 H GLU 11 HN GLU 11 19.582 3.388 -3.686 2 HA GLU 11 HA GLU 11 17.402 2.665 -5.404 3 1HB GLU 11 HB2 GLU 11 19.301 1.163 -5.154 4 2HB GLU 11 HB3 GLU 11 18.989 1.012 -3.429 5 1HG GLU 11 HG2 GLU 11 17.515 -0.621 -3.765 6 2HG GLU 11 HG3 GLU 11 16.646 0.321 -4.976 7 H LEU 12 HN LEU 12 17.821 1.625 -2.042 8 HA LEU 12 HA LEU 12 16.292 1.150 -0.447 9 1HB LEU 12 HB2 LEU 12 15.089 3.810 -0.761 10 2HB LEU 12 HB3 LEU 12 15.767 3.039 0.659 11 HG LEU 12 HG LEU 12 17.630 3.866 -1.488 12 1HD1 LEU 12 HD11 LEU 12 17.148 5.967 0.477 13 2HD1 LEU 12 HD12 LEU 12 17.348 6.081 -1.270 14 3HD1 LEU 12 HD13 LEU 12 15.773 5.687 -0.590 15 1HD2 LEU 12 HD21 LEU 12 19.156 4.087 0.277 16 2HD2 LEU 12 HD22 LEU 12 17.870 4.168 1.484 17 3HD2 LEU 12 HD23 LEU 12 18.211 2.648 0.660 18 H ASN 13 HN ASN 13 15.267 -0.124 -2.481 19 HA ASN 13 HA ASN 13 12.620 0.787 -3.187 20 1HB ASN 13 HB2 ASN 13 12.513 -1.306 -4.495 21 2HB ASN 13 HB3 ASN 13 13.964 -0.372 -4.841 22 1HD2 ASN 13 HD21 ASN 13 13.287 -3.224 -5.129 23 2HD2 ASN 13 HD22 ASN 13 14.551 -4.077 -4.324 24 H ASN 14 HN ASN 14 12.461 0.748 -0.575 25 HA ASN 14 HA ASN 14 11.604 -1.805 0.448 26 1HB ASN 14 HB2 ASN 14 11.951 -0.846 2.435 27 2HB ASN 14 HB3 ASN 14 12.435 0.615 1.602 28 1HD2 ASN 14 HD21 ASN 14 10.020 -0.967 3.449 29 2HD2 ASN 14 HD22 ASN 14 8.944 0.383 3.629 30 H LEU 15 HN LEU 15 10.278 0.577 -1.459 31 HA LEU 15 HA LEU 15 7.592 0.726 -0.732 32 1HB LEU 15 HB2 LEU 15 9.126 1.749 -2.723 33 2HB LEU 15 HB3 LEU 15 8.171 0.587 -3.620 34 HG LEU 15 HG LEU 15 6.533 2.182 -1.838 35 1HD1 LEU 15 HD11 LEU 15 7.551 3.784 -4.112 36 2HD1 LEU 15 HD12 LEU 15 6.920 4.302 -2.549 37 3HD1 LEU 15 HD13 LEU 15 8.566 3.682 -2.674 38 1HD2 LEU 15 HD21 LEU 15 5.739 2.655 -4.415 39 2HD2 LEU 15 HD22 LEU 15 6.508 1.072 -4.529 40 3HD2 LEU 15 HD23 LEU 15 5.184 1.328 -3.395 41 H ARG 16 HN ARG 16 9.367 -1.836 -2.336 42 HA ARG 16 HA ARG 16 7.167 -3.242 -3.404 43 1HB ARG 16 HB2 ARG 16 9.589 -3.681 -3.962 44 2HB ARG 16 HB3 ARG 16 9.741 -4.462 -2.396 45 1HG ARG 16 HG2 ARG 16 8.237 -6.179 -2.991 46 2HG ARG 16 HG3 ARG 16 7.724 -5.313 -4.436 47 1HD ARG 16 HD2 ARG 16 9.205 -6.622 -5.499 48 2HD ARG 16 HD3 ARG 16 10.400 -5.503 -4.852 49 HE ARG 16 HE ARG 16 11.099 -7.114 -3.344 50 1HH1 ARG 16 HH12 ARG 16 8.229 -8.182 -5.039 51 2HH1 ARG 16 HH11 ARG 16 8.333 -9.819 -4.463 52 1HH2 ARG 16 HH22 ARG 16 11.260 -9.291 -2.576 53 2HH2 ARG 16 HH21 ARG 16 10.064 -10.449 -3.067 54 H MET 17 HN MET 17 8.736 -3.242 -0.270 55 HA MET 17 HA MET 17 7.330 -5.417 0.871 56 1HB MET 17 HB2 MET 17 9.353 -3.689 1.692 57 2HB MET 17 HB3 MET 17 8.013 -3.294 2.759 58 1HG MET 17 HG2 MET 17 8.605 -6.164 2.396 59 2HG MET 17 HG3 MET 17 9.793 -5.206 3.279 60 1HE MET 17 HE1 MET 17 5.756 -6.669 4.442 61 2HE MET 17 HE2 MET 17 6.811 -7.061 3.087 62 3HE MET 17 HE3 MET 17 7.196 -7.657 4.700 63 H THR 18 HN THR 18 6.666 -2.004 0.519 64 HA THR 18 HA THR 18 4.395 -1.856 2.220 65 HB THR 18 HB THR 18 4.796 -0.128 -0.214 66 HG1 THR 18 HG1 THR 18 6.412 -0.289 2.092 67 1HG2 THR 18 HG21 THR 18 4.106 1.629 1.535 68 2HG2 THR 18 HG22 THR 18 3.609 0.247 2.514 69 3HG2 THR 18 HG23 THR 18 2.870 0.520 0.936 70 H TYR 19 HN TYR 19 4.779 -2.235 -1.292 71 HA TYR 19 HA TYR 19 2.015 -2.467 -1.859 72 1HB TYR 19 HB2 TYR 19 3.521 -1.793 -3.602 73 2HB TYR 19 HB3 TYR 19 4.475 -3.256 -3.428 74 HD1 TYR 19 HD1 TYR 19 1.077 -2.071 -4.379 75 HD2 TYR 19 HD2 TYR 19 4.029 -5.106 -4.781 76 HE1 TYR 19 HE1 TYR 19 -0.267 -3.140 -6.139 77 HE2 TYR 19 HE2 TYR 19 2.693 -6.182 -6.541 78 HH TYR 19 HH TYR 19 0.376 -6.283 -7.314 79 H GLU 20 HN GLU 20 4.551 -4.844 -1.232 80 HA GLU 20 HA GLU 20 3.003 -7.134 -1.863 81 1HB GLU 20 HB2 GLU 20 5.541 -6.622 -0.379 82 2HB GLU 20 HB3 GLU 20 4.773 -8.189 -0.196 83 1HG GLU 20 HG2 GLU 20 5.624 -6.929 -2.794 84 2HG GLU 20 HG3 GLU 20 6.481 -8.207 -1.938 85 H ARG 21 HN ARG 21 3.491 -5.267 1.088 86 HA ARG 21 HA ARG 21 2.153 -7.093 2.818 87 1HB ARG 21 HB2 ARG 21 3.719 -5.140 3.459 88 2HB ARG 21 HB3 ARG 21 2.305 -4.113 3.274 89 1HG ARG 21 HG2 ARG 21 1.770 -4.570 5.374 90 2HG ARG 21 HG3 ARG 21 1.499 -6.251 4.907 91 1HD ARG 21 HD2 ARG 21 3.101 -6.678 6.416 92 2HD ARG 21 HD3 ARG 21 4.194 -6.193 5.122 93 HE ARG 21 HE ARG 21 3.520 -3.880 6.456 94 1HH1 ARG 21 HH12 ARG 21 5.070 -6.913 7.254 95 2HH1 ARG 21 HH11 ARG 21 6.007 -6.238 8.553 96 1HH2 ARG 21 HH22 ARG 21 4.748 -2.982 8.140 97 2HH2 ARG 21 HH21 ARG 21 5.838 -3.989 9.046 98 H LEU 22 HN LEU 22 1.177 -4.537 0.703 99 HA LEU 22 HA LEU 22 -1.528 -4.326 1.640 100 1HB LEU 22 HB2 LEU 22 0.049 -3.312 -0.672 101 2HB LEU 22 HB3 LEU 22 -1.692 -3.281 -0.789 102 HG LEU 22 HG LEU 22 -0.342 -2.038 1.579 103 1HD1 LEU 22 HD11 LEU 22 0.845 -1.100 -0.306 104 2HD1 LEU 22 HD12 LEU 22 -0.674 -0.787 -1.147 105 3HD1 LEU 22 HD13 LEU 22 -0.288 0.093 0.330 106 1HD2 LEU 22 HD21 LEU 22 -2.465 -1.546 2.027 107 2HD2 LEU 22 HD22 LEU 22 -2.518 -0.574 0.556 108 3HD2 LEU 22 HD23 LEU 22 -2.989 -2.275 0.505 109 H ARG 23 HN ARG 23 0.170 -6.069 -0.904 110 HA ARG 23 HA ARG 23 -2.144 -7.092 -2.198 111 1HB ARG 23 HB2 ARG 23 0.437 -6.952 -2.893 112 2HB ARG 23 HB3 ARG 23 0.423 -8.604 -2.290 113 1HG ARG 23 HG2 ARG 23 0.018 -8.843 -4.557 114 2HG ARG 23 HG3 ARG 23 -1.590 -8.938 -3.843 115 1HD ARG 23 HD2 ARG 23 -2.170 -6.802 -4.560 116 2HD ARG 23 HD3 ARG 23 -0.491 -6.323 -4.802 117 HE ARG 23 HE ARG 23 -0.554 -7.240 -6.903 118 1HH1 ARG 23 HH12 ARG 23 -3.369 -8.279 -5.108 119 2HH1 ARG 23 HH11 ARG 23 -4.160 -9.001 -6.470 120 1HH2 ARG 23 HH22 ARG 23 -1.601 -8.176 -8.742 121 2HH2 ARG 23 HH21 ARG 23 -3.148 -8.947 -8.540 122 H GLU 24 HN GLU 24 -0.101 -8.190 0.422 123 HA GLU 24 HA GLU 24 -1.291 -10.796 0.600 124 1HB GLU 24 HB2 GLU 24 1.036 -10.184 1.386 125 2HB GLU 24 HB3 GLU 24 0.288 -9.339 2.726 126 1HG GLU 24 HG2 GLU 24 -0.752 -11.996 2.535 127 2HG GLU 24 HG3 GLU 24 1.007 -12.004 2.595 128 H LEU 25 HN LEU 25 -1.726 -7.683 2.172 129 HA LEU 25 HA LEU 25 -3.581 -8.612 4.131 130 1HB LEU 25 HB2 LEU 25 -2.152 -6.294 3.713 131 2HB LEU 25 HB3 LEU 25 -3.775 -5.797 3.303 132 HG LEU 25 HG LEU 25 -2.568 -6.247 5.903 133 1HD1 LEU 25 HD11 LEU 25 -4.390 -4.495 4.575 134 2HD1 LEU 25 HD12 LEU 25 -5.065 -5.023 6.115 135 3HD1 LEU 25 HD13 LEU 25 -3.481 -4.252 6.071 136 1HD2 LEU 25 HD21 LEU 25 -3.764 -8.027 6.555 137 2HD2 LEU 25 HD22 LEU 25 -5.157 -6.943 6.556 138 3HD2 LEU 25 HD23 LEU 25 -4.815 -7.950 5.145 139 H SER 26 HN SER 26 -3.809 -7.300 0.871 140 HA SER 26 HA SER 26 -6.602 -6.859 0.822 141 1HB SER 26 HB2 SER 26 -5.090 -5.833 -0.803 142 2HB SER 26 HB3 SER 26 -4.633 -7.419 -1.416 143 HG SER 26 HG SER 26 -6.167 -6.986 -2.796 144 H LEU 27 HN LEU 27 -4.611 -9.665 -0.044 145 HA LEU 27 HA LEU 27 -6.846 -11.163 -1.012 146 1HB LEU 27 HB2 LEU 27 -3.969 -11.533 -0.767 147 2HB LEU 27 HB3 LEU 27 -4.881 -13.004 -0.491 148 HG LEU 27 HG LEU 27 -6.089 -12.456 -2.701 149 1HD1 LEU 27 HD11 LEU 27 -4.837 -10.124 -2.634 150 2HD1 LEU 27 HD12 LEU 27 -3.599 -11.050 -3.489 151 3HD1 LEU 27 HD13 LEU 27 -5.233 -10.932 -4.147 152 1HD2 LEU 27 HD21 LEU 27 -4.810 -14.046 -3.582 153 2HD2 LEU 27 HD22 LEU 27 -3.352 -13.065 -3.456 154 3HD2 LEU 27 HD23 LEU 27 -3.906 -13.999 -2.067 155 H ASN 28 HN ASN 28 -5.213 -10.813 2.029 156 HA ASN 28 HA ASN 28 -6.430 -13.114 3.226 157 1HB ASN 28 HB2 ASN 28 -4.607 -10.970 4.100 158 2HB ASN 28 HB3 ASN 28 -5.676 -11.601 5.349 159 1HD2 ASN 28 HD21 ASN 28 -2.696 -11.879 4.296 160 2HD2 ASN 28 HD22 ASN 28 -2.386 -13.561 4.600 161 H LEU 29 HN LEU 29 -6.895 -9.579 3.632 162 HA LEU 29 HA LEU 29 -9.148 -9.776 5.311 163 1HB LEU 29 HB2 LEU 29 -8.178 -7.621 3.455 164 2HB LEU 29 HB3 LEU 29 -9.683 -7.453 4.337 165 HG LEU 29 HG LEU 29 -7.104 -8.005 5.775 166 1HD1 LEU 29 HD11 LEU 29 -7.225 -5.911 4.166 167 2HD1 LEU 29 HD12 LEU 29 -8.146 -5.239 5.508 168 3HD1 LEU 29 HD13 LEU 29 -6.494 -5.809 5.771 169 1HD2 LEU 29 HD21 LEU 29 -8.233 -7.402 7.668 170 2HD2 LEU 29 HD22 LEU 29 -9.362 -6.364 6.796 171 3HD2 LEU 29 HD23 LEU 29 -9.549 -8.115 6.731 172 H GLY 30 HN GLY 30 -8.810 -9.613 1.809 173 1HA GLY 30 HA1 GLY 30 -11.518 -9.325 1.180 174 2HA GLY 30 HA2 GLY 30 -10.303 -10.009 0.119 175 H ASN 31 HN ASN 31 -9.705 -12.188 2.092 176 HA ASN 31 HA ASN 31 -11.975 -13.879 1.345 177 1HB ASN 31 HB2 ASN 31 -9.287 -14.349 1.188 178 2HB ASN 31 HB3 ASN 31 -9.700 -15.168 2.689 179 1HD2 ASN 31 HD21 ASN 31 -8.866 -16.876 1.075 180 2HD2 ASN 31 HD22 ASN 31 -10.099 -17.734 0.216 181 H ARG 32 HN ARG 32 -10.775 -12.199 4.004 182 HA ARG 32 HA ARG 32 -11.969 -13.976 6.001 183 1HB ARG 32 HB2 ARG 32 -9.738 -12.861 6.325 184 2HB ARG 32 HB3 ARG 32 -10.587 -11.329 6.419 185 1HG ARG 32 HG2 ARG 32 -11.936 -12.559 8.298 186 2HG ARG 32 HG3 ARG 32 -10.498 -13.577 8.363 187 1HD ARG 32 HD2 ARG 32 -10.622 -10.582 8.715 188 2HD ARG 32 HD3 ARG 32 -10.302 -11.787 9.961 189 HE ARG 32 HE ARG 32 -8.336 -12.236 8.139 190 1HH1 ARG 32 HH12 ARG 32 -9.460 -9.413 9.880 191 2HH1 ARG 32 HH11 ARG 32 -7.900 -8.642 9.913 192 1HH2 ARG 32 HH22 ARG 32 -6.247 -11.260 8.239 193 2HH2 ARG 32 HH21 ARG 32 -6.072 -9.700 8.991 194 H MET 33 HN MET 33 -12.917 -11.551 3.980 195 HA MET 33 HA MET 33 -14.842 -10.327 5.795 196 1HB MET 33 HB2 MET 33 -13.636 -9.647 3.185 197 2HB MET 33 HB3 MET 33 -15.329 -9.211 3.350 198 1HG MET 33 HG2 MET 33 -14.700 -8.043 5.486 199 2HG MET 33 HG3 MET 33 -13.016 -8.299 5.035 200 1HE MET 33 HE1 MET 33 -16.369 -6.801 4.235 201 2HE MET 33 HE2 MET 33 -16.060 -5.531 3.047 202 3HE MET 33 HE3 MET 33 -16.111 -7.218 2.540 203 H VAL 34 HN VAL 34 -17.114 -10.282 5.272 204 HA VAL 34 HA VAL 34 -17.942 -12.560 3.581 205 HB VAL 34 HB VAL 34 -19.319 -11.586 6.097 206 1HG1 VAL 34 HG11 VAL 34 -19.860 -13.997 4.376 207 2HG1 VAL 34 HG12 VAL 34 -20.734 -13.542 5.838 208 3HG1 VAL 34 HG13 VAL 34 -20.822 -12.520 4.402 209 1HG2 VAL 34 HG21 VAL 34 -17.837 -12.803 7.218 210 2HG2 VAL 34 HG22 VAL 34 -18.534 -14.228 6.445 211 3HG2 VAL 34 HG23 VAL 34 -17.133 -13.432 5.729 212 HA PRO 35 HA PRO 35 -18.790 -13.050 2.129 213 1HB PRO 35 HB2 PRO 35 -19.307 -12.442 -0.563 214 2HB PRO 35 HB3 PRO 35 -20.358 -13.331 0.539 215 1HG PRO 35 HG2 PRO 35 -20.854 -10.795 -0.580 216 2HG PRO 35 HG3 PRO 35 -21.768 -11.581 0.715 217 1HD PRO 35 HD2 PRO 35 -19.685 -9.475 0.869 218 2HD PRO 35 HD3 PRO 35 -21.065 -9.788 1.942 219 HA PRO 36 HA PRO 36 -14.607 -12.405 0.917 220 1HB PRO 36 HB2 PRO 36 -15.228 -14.317 -1.307 221 2HB PRO 36 HB3 PRO 36 -13.850 -14.307 -0.194 222 1HG PRO 36 HG2 PRO 36 -15.832 -16.004 0.221 223 2HG PRO 36 HG3 PRO 36 -15.115 -15.136 1.586 224 1HD PRO 36 HD2 PRO 36 -17.737 -14.664 0.220 225 2HD PRO 36 HD3 PRO 36 -17.306 -14.487 1.934 226 H VAL 37 HN VAL 37 -14.046 -10.598 0.019 227 HA VAL 37 HA VAL 37 -15.356 -9.380 -2.189 228 HB VAL 37 HB VAL 37 -12.637 -8.539 -1.245 229 1HG1 VAL 37 HG11 VAL 37 -14.415 -6.391 -1.428 230 2HG1 VAL 37 HG12 VAL 37 -13.079 -6.789 -2.505 231 3HG1 VAL 37 HG13 VAL 37 -14.699 -7.397 -2.849 232 1HG2 VAL 37 HG21 VAL 37 -14.038 -7.129 0.452 233 2HG2 VAL 37 HG22 VAL 37 -15.164 -8.478 0.326 234 3HG2 VAL 37 HG23 VAL 37 -13.504 -8.762 0.861 235 H GLY 38 HN GLY 38 -12.386 -11.223 -1.839 236 1HA GLY 38 HA1 GLY 38 -11.216 -12.323 -3.524 237 2HA GLY 38 HA2 GLY 38 -12.247 -11.532 -4.711 238 H ASN 39 HN ASN 39 -11.935 -9.100 -4.805 239 HA ASN 39 HA ASN 39 -9.048 -8.508 -4.699 240 1HB ASN 39 HB2 ASN 39 -10.262 -8.554 -6.991 241 2HB ASN 39 HB3 ASN 39 -11.019 -7.049 -6.474 242 1HD2 ASN 39 HD21 ASN 39 -9.974 -6.022 -8.252 243 2HD2 ASN 39 HD22 ASN 39 -8.293 -5.603 -8.165 244 H PHE 40 HN PHE 40 -9.303 -7.901 -2.521 245 HA PHE 40 HA PHE 40 -11.114 -6.084 -1.467 246 1HB PHE 40 HB2 PHE 40 -9.664 -7.544 -0.166 247 2HB PHE 40 HB3 PHE 40 -8.253 -6.638 -0.680 248 HD1 PHE 40 HD1 PHE 40 -7.337 -5.444 0.987 249 HD2 PHE 40 HD2 PHE 40 -11.575 -5.754 0.807 250 HE1 PHE 40 HE1 PHE 40 -7.504 -4.046 2.991 251 HE2 PHE 40 HE2 PHE 40 -11.763 -4.341 2.813 252 HZ PHE 40 HZ PHE 40 -9.732 -3.482 3.908 253 H MET 41 HN MET 41 -7.856 -5.484 -2.755 254 HA MET 41 HA MET 41 -8.663 -2.733 -3.339 255 1HB MET 41 HB2 MET 41 -7.174 -3.035 -1.209 256 2HB MET 41 HB3 MET 41 -5.885 -3.284 -2.380 257 1HG MET 41 HG2 MET 41 -6.161 -0.940 -1.531 258 2HG MET 41 HG3 MET 41 -6.146 -1.134 -3.283 259 1HE MET 41 HE1 MET 41 -8.233 1.486 -1.156 260 2HE MET 41 HE2 MET 41 -9.208 0.220 -0.409 261 3HE MET 41 HE3 MET 41 -7.446 0.129 -0.352 262 HA PRO 42 HA PRO 42 -7.281 -4.149 -7.336 263 1HB PRO 42 HB2 PRO 42 -7.186 -1.220 -7.840 264 2HB PRO 42 HB3 PRO 42 -8.010 -2.486 -8.753 265 1HG PRO 42 HG2 PRO 42 -9.385 -0.822 -7.206 266 2HG PRO 42 HG3 PRO 42 -9.818 -2.540 -7.296 267 1HD PRO 42 HD2 PRO 42 -8.361 -1.064 -5.154 268 2HD PRO 42 HD3 PRO 42 -9.554 -2.370 -5.008 269 H ASP 43 HN ASP 43 -5.363 -4.361 -8.353 270 HA ASP 43 HA ASP 43 -2.982 -3.902 -7.033 271 1HB ASP 43 HB2 ASP 43 -2.649 -5.472 -8.628 272 2HB ASP 43 HB3 ASP 43 -3.793 -4.733 -9.738 273 H SER 44 HN SER 44 -4.547 -1.882 -9.463 274 HA SER 44 HA SER 44 -2.437 -0.074 -9.861 275 1HB SER 44 HB2 SER 44 -4.925 1.277 -10.139 276 2HB SER 44 HB3 SER 44 -3.885 0.625 -11.410 277 HG SER 44 HG SER 44 -4.977 -1.302 -11.331 278 H ILE 45 HN ILE 45 -5.103 -0.113 -7.539 279 HA ILE 45 HA ILE 45 -4.519 2.449 -6.436 280 HB ILE 45 HB ILE 45 -6.085 0.175 -5.202 281 1HG1 ILE 45 HG12 ILE 45 -6.854 1.092 -7.468 282 2HG1 ILE 45 HG13 ILE 45 -8.041 1.080 -6.166 283 1HG2 ILE 45 HG21 ILE 45 -5.642 3.014 -4.395 284 2HG2 ILE 45 HG22 ILE 45 -7.210 2.274 -4.077 285 3HG2 ILE 45 HG23 ILE 45 -5.744 1.566 -3.395 286 1HD1 ILE 45 HD11 ILE 45 -7.959 3.164 -7.594 287 2HD1 ILE 45 HD12 ILE 45 -7.866 3.404 -5.849 288 3HD1 ILE 45 HD13 ILE 45 -6.407 3.514 -6.830 289 H LEU 46 HN LEU 46 -3.601 -0.860 -5.665 290 HA LEU 46 HA LEU 46 -2.436 -0.337 -3.154 291 1HB LEU 46 HB2 LEU 46 -1.766 -2.454 -5.203 292 2HB LEU 46 HB3 LEU 46 -1.163 -2.439 -3.555 293 HG LEU 46 HG LEU 46 -4.095 -2.551 -4.240 294 1HD1 LEU 46 HD11 LEU 46 -3.639 -4.998 -3.353 295 2HD1 LEU 46 HD12 LEU 46 -3.489 -4.584 -5.061 296 3HD1 LEU 46 HD13 LEU 46 -2.048 -4.692 -4.045 297 1HD2 LEU 46 HD21 LEU 46 -2.551 -2.337 -1.786 298 2HD2 LEU 46 HD22 LEU 46 -4.275 -2.094 -2.065 299 3HD2 LEU 46 HD23 LEU 46 -3.646 -3.718 -1.782 300 H LYS 47 HN LYS 47 -1.132 -0.246 -6.448 301 HA LYS 47 HA LYS 47 1.566 0.154 -5.759 302 1HB LYS 47 HB2 LYS 47 -0.108 0.618 -8.191 303 2HB LYS 47 HB3 LYS 47 1.522 1.288 -8.139 304 1HG LYS 47 HG2 LYS 47 2.454 -0.907 -7.764 305 2HG LYS 47 HG3 LYS 47 0.837 -1.612 -7.697 306 1HD LYS 47 HD2 LYS 47 0.460 -0.954 -10.029 307 2HD LYS 47 HD3 LYS 47 2.082 -0.257 -10.089 308 1HE LYS 47 HE2 LYS 47 3.027 -2.242 -10.419 309 2HE LYS 47 HE3 LYS 47 2.086 -3.000 -9.137 310 1HZ LYS 47 HZ1 LYS 47 0.235 -3.234 -10.669 311 2HZ LYS 47 HZ2 LYS 47 1.610 -4.008 -11.279 312 3HZ LYS 47 HZ3 LYS 47 1.135 -2.500 -11.912 313 H LYS 48 HN LYS 48 -0.991 2.499 -6.579 314 HA LYS 48 HA LYS 48 0.735 4.734 -6.210 315 1HB LYS 48 HB2 LYS 48 -1.497 6.013 -6.124 316 2HB LYS 48 HB3 LYS 48 -1.057 5.199 -7.619 317 1HG LYS 48 HG2 LYS 48 -2.524 3.330 -7.024 318 2HG LYS 48 HG3 LYS 48 -2.954 4.156 -5.528 319 1HD LYS 48 HD2 LYS 48 -4.725 4.732 -6.887 320 2HD LYS 48 HD3 LYS 48 -3.647 6.103 -7.104 321 1HE LYS 48 HE2 LYS 48 -2.845 5.189 -9.199 322 2HE LYS 48 HE3 LYS 48 -3.801 3.731 -8.967 323 1HZ LYS 48 HZ1 LYS 48 -4.581 6.238 -10.074 324 2HZ LYS 48 HZ2 LYS 48 -5.596 5.815 -8.785 325 3HZ LYS 48 HZ3 LYS 48 -5.399 4.754 -10.096 326 H MET 49 HN MET 49 -1.646 3.137 -4.121 327 HA MET 49 HA MET 49 -1.487 5.079 -2.066 328 1HB MET 49 HB2 MET 49 -3.044 3.863 -1.003 329 2HB MET 49 HB3 MET 49 -3.154 2.990 -2.524 330 1HG MET 49 HG2 MET 49 -2.328 1.115 -1.640 331 2HG MET 49 HG3 MET 49 -1.090 1.980 -0.727 332 1HE MET 49 HE1 MET 49 -5.425 1.278 0.500 333 2HE MET 49 HE2 MET 49 -4.706 1.195 -1.115 334 3HE MET 49 HE3 MET 49 -4.473 -0.129 0.022 335 H ALA 50 HN ALA 50 0.497 2.323 -2.870 336 HA ALA 50 HA ALA 50 1.831 2.324 -0.303 337 1HB ALA 50 HB1 ALA 50 1.665 0.546 -2.514 338 2HB ALA 50 HB2 ALA 50 3.366 0.935 -2.248 339 3HB ALA 50 HB3 ALA 50 2.397 0.273 -0.934 340 H ALA 51 HN ALA 51 2.360 3.614 -3.511 341 HA ALA 51 HA ALA 51 5.090 4.359 -3.041 342 1HB ALA 51 HB1 ALA 51 3.218 5.357 -5.189 343 2HB ALA 51 HB2 ALA 51 4.980 5.450 -5.196 344 3HB ALA 51 HB3 ALA 51 4.178 3.882 -5.296 345 H ILE 52 HN ILE 52 1.985 5.980 -2.865 346 HA ILE 52 HA ILE 52 3.261 8.508 -2.169 347 HB ILE 52 HB ILE 52 0.464 7.696 -2.855 348 1HG1 ILE 52 HG12 ILE 52 1.045 9.927 -4.306 349 2HG1 ILE 52 HG13 ILE 52 2.655 9.238 -4.103 350 1HG2 ILE 52 HG21 ILE 52 1.214 10.411 -1.810 351 2HG2 ILE 52 HG22 ILE 52 -0.380 9.883 -2.348 352 3HG2 ILE 52 HG23 ILE 52 0.342 9.183 -0.895 353 1HD1 ILE 52 HD11 ILE 52 1.398 8.573 -6.179 354 2HD1 ILE 52 HD12 ILE 52 2.038 7.249 -5.203 355 3HD1 ILE 52 HD13 ILE 52 0.327 7.646 -5.124 356 H LEU 53 HN LEU 53 1.267 5.973 -0.767 357 HA LEU 53 HA LEU 53 0.501 5.559 1.325 358 1HB LEU 53 HB2 LEU 53 3.234 6.685 1.757 359 2HB LEU 53 HB3 LEU 53 2.233 6.329 3.145 360 HG LEU 53 HG LEU 53 3.011 4.351 1.013 361 1HD1 LEU 53 HD11 LEU 53 3.952 3.750 3.654 362 2HD1 LEU 53 HD12 LEU 53 4.860 3.916 2.153 363 3HD1 LEU 53 HD13 LEU 53 4.527 5.336 3.149 364 1HD2 LEU 53 HD21 LEU 53 0.783 4.179 2.441 365 2HD2 LEU 53 HD22 LEU 53 1.766 2.766 2.057 366 3HD2 LEU 53 HD23 LEU 53 1.907 3.533 3.638 367 HA PRO 54 HA PRO 54 -1.058 9.805 2.113 368 1HB PRO 54 HB2 PRO 54 -3.576 9.311 1.039 369 2HB PRO 54 HB3 PRO 54 -2.228 10.066 0.190 370 1HG PRO 54 HG2 PRO 54 -3.416 7.535 -0.345 371 2HG PRO 54 HG3 PRO 54 -1.993 8.241 -1.128 372 1HD PRO 54 HD2 PRO 54 -2.164 6.237 1.047 373 2HD PRO 54 HD3 PRO 54 -0.887 6.491 -0.162 374 H MET 55 HN MET 55 -1.310 9.736 4.315 375 HA MET 55 HA MET 55 -3.445 8.034 5.398 376 1HB MET 55 HB2 MET 55 -0.971 9.261 6.496 377 2HB MET 55 HB3 MET 55 -2.332 9.066 7.593 378 1HG MET 55 HG2 MET 55 -1.213 6.844 5.920 379 2HG MET 55 HG3 MET 55 -0.678 7.199 7.554 380 1HE MET 55 HE1 MET 55 -3.408 8.163 8.864 381 2HE MET 55 HE2 MET 55 -4.059 6.673 9.548 382 3HE MET 55 HE3 MET 55 -2.343 7.038 9.708 383 H ASN 56 HN ASN 56 -3.998 10.470 3.895 384 HA ASN 56 HA ASN 56 -5.808 11.679 5.785 385 1HB ASN 56 HB2 ASN 56 -4.500 13.438 6.319 386 2HB ASN 56 HB3 ASN 56 -3.283 12.969 5.145 387 1HD2 ASN 56 HD21 ASN 56 -6.025 15.002 5.784 388 2HD2 ASN 56 HD22 ASN 56 -5.865 15.999 4.374 389 H ASP 57 HN ASP 57 -7.535 12.710 4.767 390 HA ASP 57 HA ASP 57 -8.375 11.675 2.357 391 1HB ASP 57 HB2 ASP 57 -9.840 12.657 4.069 392 2HB ASP 57 HB3 ASP 57 -9.299 14.264 3.591 393 H SER 58 HN SER 58 -6.917 14.888 2.880 394 HA SER 58 HA SER 58 -7.281 15.797 0.247 395 1HB SER 58 HB2 SER 58 -4.876 16.733 1.685 396 2HB SER 58 HB3 SER 58 -6.190 17.655 0.950 397 HG SER 58 HG SER 58 -7.505 17.042 2.741 398 H ALA 59 HN ALA 59 -4.783 13.823 1.698 399 HA ALA 59 HA ALA 59 -3.037 13.945 -0.581 400 1HB ALA 59 HB1 ALA 59 -2.651 13.305 2.023 401 2HB ALA 59 HB2 ALA 59 -2.697 11.705 1.288 402 3HB ALA 59 HB3 ALA 59 -1.530 12.906 0.724 403 H PHE 60 HN PHE 60 -5.630 11.881 0.522 404 HA PHE 60 HA PHE 60 -5.128 9.608 -1.043 405 1HB PHE 60 HB2 PHE 60 -7.433 10.689 0.423 406 2HB PHE 60 HB3 PHE 60 -7.868 9.704 -0.968 407 HD1 PHE 60 HD1 PHE 60 -8.393 9.048 1.936 408 HD2 PHE 60 HD2 PHE 60 -5.187 8.015 -0.658 409 HE1 PHE 60 HE1 PHE 60 -7.973 7.035 3.268 410 HE2 PHE 60 HE2 PHE 60 -4.765 5.988 0.678 411 HZ PHE 60 HZ PHE 60 -6.131 5.437 2.527 412 H ALA 61 HN ALA 61 -6.334 12.705 -1.934 413 HA ALA 61 HA ALA 61 -7.736 12.093 -4.275 414 1HB ALA 61 HB1 ALA 61 -6.235 14.567 -4.474 415 2HB ALA 61 HB2 ALA 61 -7.977 14.297 -4.397 416 3HB ALA 61 HB3 ALA 61 -7.030 14.395 -2.910 417 H THR 62 HN THR 62 -4.305 12.122 -3.653 418 HA THR 62 HA THR 62 -3.442 12.448 -6.345 419 HB THR 62 HB THR 62 -1.273 11.638 -5.555 420 HG1 THR 62 HG1 THR 62 -2.381 11.366 -2.957 421 1HG2 THR 62 HG21 THR 62 -1.068 13.309 -3.585 422 2HG2 THR 62 HG22 THR 62 -2.755 13.684 -3.933 423 3HG2 THR 62 HG23 THR 62 -1.524 13.925 -5.173 424 H LEU 63 HN LEU 63 -4.916 9.871 -4.733 425 HA LEU 63 HA LEU 63 -3.709 7.753 -6.266 426 1HB LEU 63 HB2 LEU 63 -6.229 7.743 -4.605 427 2HB LEU 63 HB3 LEU 63 -5.411 6.327 -5.234 428 HG LEU 63 HG LEU 63 -4.446 8.192 -3.068 429 1HD1 LEU 63 HD11 LEU 63 -6.066 6.580 -2.338 430 2HD1 LEU 63 HD12 LEU 63 -5.175 5.272 -3.112 431 3HD1 LEU 63 HD13 LEU 63 -4.472 6.124 -1.738 432 1HD2 LEU 63 HD21 LEU 63 -2.617 6.241 -3.064 433 2HD2 LEU 63 HD22 LEU 63 -2.962 6.298 -4.792 434 3HD2 LEU 63 HD23 LEU 63 -2.410 7.750 -3.956 435 H GLY 64 HN GLY 64 -5.443 10.172 -7.355 436 1HA GLY 64 HA1 GLY 64 -6.507 10.324 -9.437 437 2HA GLY 64 HA2 GLY 64 -6.707 8.571 -9.434 438 H THR 65 HN THR 65 -7.504 10.769 -6.861 439 HA THR 65 HA THR 65 -9.359 11.058 -5.614 440 HB THR 65 HB THR 65 -11.504 11.507 -6.969 441 HG1 THR 65 HG1 THR 65 -10.214 10.402 -8.874 442 1HG2 THR 65 HG21 THR 65 -9.650 13.117 -6.077 443 2HG2 THR 65 HG22 THR 65 -10.867 13.714 -7.202 444 3HG2 THR 65 HG23 THR 65 -9.256 13.298 -7.787 445 H VAL 66 HN VAL 66 -9.188 8.910 -4.745 446 HA VAL 66 HA VAL 66 -10.504 6.662 -5.775 447 HB VAL 66 HB VAL 66 -10.516 5.819 -3.394 448 1HG1 VAL 66 HG11 VAL 66 -7.802 6.327 -3.413 449 2HG1 VAL 66 HG12 VAL 66 -8.624 4.984 -4.206 450 3HG1 VAL 66 HG13 VAL 66 -8.276 6.459 -5.107 451 1HG2 VAL 66 HG21 VAL 66 -8.664 7.686 -2.318 452 2HG2 VAL 66 HG22 VAL 66 -10.116 8.556 -2.807 453 3HG2 VAL 66 HG23 VAL 66 -10.238 7.199 -1.683 454 H GLU 67 HN GLU 67 -12.516 5.977 -5.746 455 HA GLU 67 HA GLU 67 -14.640 7.752 -5.158 456 1HB GLU 67 HB2 GLU 67 -14.314 5.361 -6.590 457 2HB GLU 67 HB3 GLU 67 -15.492 4.993 -5.342 458 1HG GLU 67 HG2 GLU 67 -16.953 6.632 -6.100 459 2HG GLU 67 HG3 GLU 67 -15.731 7.393 -7.114 460 H ASP 68 HN ASP 68 -16.478 7.210 -3.691 461 HA ASP 68 HA ASP 68 -15.583 6.921 -1.052 462 1HB ASP 68 HB2 ASP 68 -17.806 7.927 -2.005 463 2HB ASP 68 HB3 ASP 68 -18.422 6.295 -1.743 464 H LYS 69 HN LYS 69 -16.887 4.544 -3.311 465 HA LYS 69 HA LYS 69 -17.320 2.455 -1.497 466 1HB LYS 69 HB2 LYS 69 -17.088 0.929 -3.440 467 2HB LYS 69 HB3 LYS 69 -18.165 2.279 -3.754 468 1HG LYS 69 HG2 LYS 69 -15.717 3.191 -4.622 469 2HG LYS 69 HG3 LYS 69 -15.726 1.491 -5.088 470 1HD LYS 69 HD2 LYS 69 -18.274 2.466 -5.715 471 2HD LYS 69 HD3 LYS 69 -17.141 3.713 -6.240 472 1HE LYS 69 HE2 LYS 69 -15.836 1.674 -7.223 473 2HE LYS 69 HE3 LYS 69 -17.412 0.889 -7.132 474 1HZ LYS 69 HZ1 LYS 69 -18.068 1.966 -8.935 475 2HZ LYS 69 HZ2 LYS 69 -16.496 2.570 -9.119 476 3HZ LYS 69 HZ3 LYS 69 -17.656 3.474 -8.270 477 H TYR 70 HN TYR 70 -14.380 3.748 -2.801 478 HA TYR 70 HA TYR 70 -12.785 1.467 -1.978 479 1HB TYR 70 HB2 TYR 70 -12.020 4.177 -3.084 480 2HB TYR 70 HB3 TYR 70 -10.858 2.931 -2.653 481 HD1 TYR 70 HD1 TYR 70 -13.338 3.997 -5.109 482 HD2 TYR 70 HD2 TYR 70 -10.692 0.867 -3.958 483 HE1 TYR 70 HE1 TYR 70 -13.536 3.005 -7.353 484 HE2 TYR 70 HE2 TYR 70 -10.884 -0.134 -6.200 485 HH TYR 70 HH TYR 70 -11.632 1.180 -8.743 486 H ARG 71 HN ARG 71 -13.725 4.605 -0.863 487 HA ARG 71 HA ARG 71 -11.854 4.928 1.221 488 1HB ARG 71 HB2 ARG 71 -14.037 6.358 0.138 489 2HB ARG 71 HB3 ARG 71 -14.323 6.205 1.863 490 1HG ARG 71 HG2 ARG 71 -12.744 7.691 2.354 491 2HG ARG 71 HG3 ARG 71 -11.592 6.944 1.238 492 1HD ARG 71 HD2 ARG 71 -12.158 9.259 0.600 493 2HD ARG 71 HD3 ARG 71 -12.601 8.071 -0.626 494 HE ARG 71 HE ARG 71 -14.921 8.265 0.272 495 1HH1 ARG 71 HH12 ARG 71 -12.638 10.895 0.703 496 2HH1 ARG 71 HH11 ARG 71 -13.878 12.097 0.876 497 1HH2 ARG 71 HH22 ARG 71 -16.529 9.834 0.545 498 2HH2 ARG 71 HH21 ARG 71 -16.072 11.496 0.800 499 H ARG 72 HN ARG 72 -15.102 3.523 1.084 500 HA ARG 72 HA ARG 72 -15.633 3.224 3.788 501 1HB ARG 72 HB2 ARG 72 -16.445 1.530 1.445 502 2HB ARG 72 HB3 ARG 72 -17.064 1.277 3.074 503 1HG ARG 72 HG2 ARG 72 -18.533 2.923 2.849 504 2HG ARG 72 HG3 ARG 72 -17.290 4.045 2.280 505 1HD ARG 72 HD2 ARG 72 -17.877 3.768 0.151 506 2HD ARG 72 HD3 ARG 72 -17.903 2.012 0.330 507 HE ARG 72 HE ARG 72 -20.161 3.809 0.994 508 1HH1 ARG 72 HH12 ARG 72 -18.916 0.721 -0.123 509 2HH1 ARG 72 HH11 ARG 72 -20.495 0.062 -0.447 510 1HH2 ARG 72 HH22 ARG 72 -22.224 2.959 0.570 511 2HH2 ARG 72 HH21 ARG 72 -22.389 1.340 -0.054 512 H ARG 73 HN ARG 73 -13.925 0.947 1.649 513 HA ARG 73 HA ARG 73 -13.403 -0.741 3.969 514 1HB ARG 73 HB2 ARG 73 -13.042 -2.484 2.550 515 2HB ARG 73 HB3 ARG 73 -14.041 -1.500 1.495 516 1HG ARG 73 HG2 ARG 73 -11.082 -1.174 1.410 517 2HG ARG 73 HG3 ARG 73 -11.832 -2.564 0.623 518 1HD ARG 73 HD2 ARG 73 -13.435 -0.588 -0.261 519 2HD ARG 73 HD3 ARG 73 -11.923 0.299 -0.059 520 HE ARG 73 HE ARG 73 -10.926 -1.511 -1.504 521 1HH1 ARG 73 HH12 ARG 73 -14.301 -0.617 -1.776 522 2HH1 ARG 73 HH11 ARG 73 -14.472 -1.259 -3.382 523 1HH2 ARG 73 HH22 ARG 73 -11.137 -2.310 -3.618 524 2HH2 ARG 73 HH21 ARG 73 -12.659 -2.193 -4.449 525 H PHE 74 HN PHE 74 -12.094 1.918 2.561 526 HA PHE 74 HA PHE 74 -9.328 1.405 2.450 527 1HB PHE 74 HB2 PHE 74 -10.997 3.691 2.246 528 2HB PHE 74 HB3 PHE 74 -9.768 4.061 3.449 529 HD1 PHE 74 HD1 PHE 74 -10.295 5.115 0.535 530 HD2 PHE 74 HD2 PHE 74 -7.550 2.353 2.249 531 HE1 PHE 74 HE1 PHE 74 -8.690 5.597 -1.254 532 HE2 PHE 74 HE2 PHE 74 -5.935 2.849 0.462 533 HZ PHE 74 HZ PHE 74 -6.493 4.370 -1.301 534 H LYS 75 HN LYS 75 -11.431 2.158 5.135 535 HA LYS 75 HA LYS 75 -9.536 2.778 7.089 536 1HB LYS 75 HB2 LYS 75 -11.423 1.688 8.617 537 2HB LYS 75 HB3 LYS 75 -11.625 3.254 7.850 538 1HG LYS 75 HG2 LYS 75 -13.368 2.547 6.697 539 2HG LYS 75 HG3 LYS 75 -12.493 1.132 6.089 540 1HD LYS 75 HD2 LYS 75 -13.483 -0.225 7.589 541 2HD LYS 75 HD3 LYS 75 -13.220 0.912 8.913 542 1HE LYS 75 HE2 LYS 75 -15.226 1.872 7.065 543 2HE LYS 75 HE3 LYS 75 -15.647 0.285 7.702 544 1HZ LYS 75 HZ1 LYS 75 -15.424 1.124 9.926 545 2HZ LYS 75 HZ2 LYS 75 -16.487 2.132 9.063 546 3HZ LYS 75 HZ3 LYS 75 -14.900 2.634 9.354 547 H TYR 76 HN TYR 76 -10.335 -0.272 5.684 548 HA TYR 76 HA TYR 76 -9.293 -1.863 7.838 549 1HB TYR 76 HB2 TYR 76 -10.128 -2.514 5.020 550 2HB TYR 76 HB3 TYR 76 -9.421 -3.714 6.094 551 HD1 TYR 76 HD1 TYR 76 -12.408 -1.891 5.215 552 HD2 TYR 76 HD2 TYR 76 -10.616 -4.326 8.205 553 HE1 TYR 76 HE1 TYR 76 -14.630 -2.326 6.176 554 HE2 TYR 76 HE2 TYR 76 -12.831 -4.774 9.173 555 HH TYR 76 HH TYR 76 -15.305 -3.133 8.947 556 H PHE 77 HN PHE 77 -7.879 0.067 5.550 557 HA PHE 77 HA PHE 77 -5.402 -1.533 5.537 558 1HB PHE 77 HB2 PHE 77 -6.703 0.202 3.514 559 2HB PHE 77 HB3 PHE 77 -4.963 0.393 3.668 560 HD1 PHE 77 HD1 PHE 77 -7.041 -0.922 1.497 561 HD2 PHE 77 HD2 PHE 77 -4.076 -2.314 4.211 562 HE1 PHE 77 HE1 PHE 77 -6.702 -2.918 0.105 563 HE2 PHE 77 HE2 PHE 77 -3.739 -4.313 2.826 564 HZ PHE 77 HZ PHE 77 -5.031 -4.506 0.621 565 H LYS 78 HN LYS 78 -6.941 1.309 6.608 566 HA LYS 78 HA LYS 78 -4.942 3.205 6.770 567 1HB LYS 78 HB2 LYS 78 -7.539 2.782 7.882 568 2HB LYS 78 HB3 LYS 78 -6.465 3.407 9.130 569 1HG LYS 78 HG2 LYS 78 -6.507 5.452 8.260 570 2HG LYS 78 HG3 LYS 78 -6.116 4.834 6.647 571 1HD LYS 78 HD2 LYS 78 -8.232 4.987 5.977 572 2HD LYS 78 HD3 LYS 78 -8.831 4.196 7.430 573 1HE LYS 78 HE2 LYS 78 -8.155 6.629 8.417 574 2HE LYS 78 HE3 LYS 78 -8.628 7.064 6.777 575 1HZ LYS 78 HZ1 LYS 78 -10.549 7.197 8.100 576 2HZ LYS 78 HZ2 LYS 78 -10.260 5.698 8.837 577 3HZ LYS 78 HZ3 LYS 78 -10.714 5.766 7.204 578 H ALA 79 HN ALA 79 -5.379 0.381 8.793 579 HA ALA 79 HA ALA 79 -3.668 1.252 10.901 580 1HB ALA 79 HB1 ALA 79 -3.674 -1.176 11.513 581 2HB ALA 79 HB2 ALA 79 -5.273 -0.448 11.376 582 3HB ALA 79 HB3 ALA 79 -4.652 -1.474 10.079 583 H THR 80 HN THR 80 -3.183 -0.476 7.866 584 HA THR 80 HA THR 80 -0.416 -1.041 8.506 585 HB THR 80 HB THR 80 -1.515 -1.412 5.755 586 HG1 THR 80 HG1 THR 80 -2.032 -3.344 7.763 587 1HG2 THR 80 HG21 THR 80 -0.282 -3.715 6.461 588 2HG2 THR 80 HG22 THR 80 0.584 -2.571 7.490 589 3HG2 THR 80 HG23 THR 80 0.554 -2.348 5.739 590 H ILE 81 HN ILE 81 -2.263 1.110 6.397 591 HA ILE 81 HA ILE 81 -0.146 2.230 4.945 592 HB ILE 81 HB ILE 81 -2.657 3.674 5.821 593 1HG1 ILE 81 HG12 ILE 81 -2.175 2.229 3.222 594 2HG1 ILE 81 HG13 ILE 81 -3.017 1.504 4.589 595 1HG2 ILE 81 HG21 ILE 81 -1.991 4.655 3.366 596 2HG2 ILE 81 HG22 ILE 81 -1.590 5.418 4.905 597 3HG2 ILE 81 HG23 ILE 81 -0.406 4.395 4.094 598 1HD1 ILE 81 HD11 ILE 81 -4.558 2.405 2.910 599 2HD1 ILE 81 HD12 ILE 81 -4.738 3.203 4.473 600 3HD1 ILE 81 HD13 ILE 81 -3.880 4.012 3.161 601 H ALA 82 HN ALA 82 -1.560 3.126 8.066 602 HA ALA 82 HA ALA 82 -0.113 5.466 8.569 603 1HB ALA 82 HB1 ALA 82 -1.970 3.842 9.950 604 2HB ALA 82 HB2 ALA 82 -0.594 4.077 11.025 605 3HB ALA 82 HB3 ALA 82 -1.445 5.473 10.355 606 H ASP 83 HN ASP 83 0.666 2.090 9.252 607 HA ASP 83 HA ASP 83 3.037 2.734 10.722 608 1HB ASP 83 HB2 ASP 83 1.932 0.685 11.274 609 2HB ASP 83 HB3 ASP 83 1.960 0.139 9.601 610 H LEU 84 HN LEU 84 2.418 1.494 7.454 611 HA LEU 84 HA LEU 84 5.097 1.199 6.696 612 1HB LEU 84 HB2 LEU 84 2.625 1.700 5.064 613 2HB LEU 84 HB3 LEU 84 4.186 1.330 4.355 614 HG LEU 84 HG LEU 84 2.951 -0.518 6.365 615 1HD1 LEU 84 HD11 LEU 84 1.346 -1.165 5.014 616 2HD1 LEU 84 HD12 LEU 84 1.752 0.164 3.930 617 3HD1 LEU 84 HD13 LEU 84 2.500 -1.418 3.698 618 1HD2 LEU 84 HD21 LEU 84 4.969 -0.785 4.161 619 2HD2 LEU 84 HD22 LEU 84 5.192 -1.038 5.891 620 3HD2 LEU 84 HD23 LEU 84 4.224 -2.176 4.951 621 H SER 85 HN SER 85 3.044 4.060 6.742 622 HA SER 85 HA SER 85 4.780 5.644 5.101 623 1HB SER 85 HB2 SER 85 3.409 7.559 6.257 624 2HB SER 85 HB3 SER 85 2.614 6.503 5.098 625 HG SER 85 HG SER 85 1.595 5.460 6.711 626 H LYS 86 HN LYS 86 4.600 4.841 8.469 627 HA LYS 86 HA LYS 86 6.584 6.877 9.160 628 1HB LYS 86 HB2 LYS 86 4.791 5.078 10.764 629 2HB LYS 86 HB3 LYS 86 6.165 5.886 11.507 630 1HG LYS 86 HG2 LYS 86 5.256 8.029 11.079 631 2HG LYS 86 HG3 LYS 86 4.046 7.369 9.980 632 1HD LYS 86 HD2 LYS 86 2.796 6.439 11.736 633 2HD LYS 86 HD3 LYS 86 4.125 6.601 12.885 634 1HE LYS 86 HE2 LYS 86 3.378 8.603 13.490 635 2HE LYS 86 HE3 LYS 86 3.513 9.172 11.827 636 1HZ LYS 86 HZ1 LYS 86 1.200 7.517 12.350 637 2HZ LYS 86 HZ2 LYS 86 1.326 8.972 11.497 638 3HZ LYS 86 HZ3 LYS 86 1.206 8.999 13.185 639 H LYS 87 HN LYS 87 6.745 4.003 7.775 640 HA LYS 87 HA LYS 87 9.240 3.284 9.160 641 1HB LYS 87 HB2 LYS 87 7.150 1.320 8.189 642 2HB LYS 87 HB3 LYS 87 8.731 0.885 8.822 643 1HG LYS 87 HG2 LYS 87 7.343 2.596 10.660 644 2HG LYS 87 HG3 LYS 87 6.345 1.210 10.216 645 1HD LYS 87 HD2 LYS 87 8.080 -0.318 10.855 646 2HD LYS 87 HD3 LYS 87 9.190 1.019 11.192 647 1HE LYS 87 HE2 LYS 87 8.426 0.941 13.293 648 2HE LYS 87 HE3 LYS 87 6.948 1.649 12.644 649 1HZ LYS 87 HZ1 LYS 87 6.395 -0.277 13.923 650 2HZ LYS 87 HZ2 LYS 87 7.483 -1.243 13.041 651 3HZ LYS 87 HZ3 LYS 87 6.104 -0.610 12.285 652 H ARG 88 HN ARG 88 7.937 4.350 6.397 653 HA ARG 88 HA ARG 88 9.040 2.730 4.393 654 1HB ARG 88 HB2 ARG 88 7.342 4.426 3.919 655 2HB ARG 88 HB3 ARG 88 8.477 5.704 4.350 656 1HG ARG 88 HG2 ARG 88 9.930 4.549 2.474 657 2HG ARG 88 HG3 ARG 88 8.344 4.014 1.914 658 1HD ARG 88 HD2 ARG 88 9.468 6.354 1.207 659 2HD ARG 88 HD3 ARG 88 7.729 6.075 1.266 660 HE ARG 88 HE ARG 88 8.702 6.966 3.783 661 1HH1 ARG 88 HH12 ARG 88 7.953 8.078 0.556 662 2HH1 ARG 88 HH11 ARG 88 7.550 9.692 1.052 663 1HH2 ARG 88 HH22 ARG 88 8.222 9.098 4.467 664 2HH2 ARG 88 HH21 ARG 88 7.701 10.283 3.296 665 H SER 89 HN SER 89 11.027 2.338 3.859 666 HA SER 89 HA SER 89 13.234 2.433 3.503 667 1HB SER 89 HB2 SER 89 13.165 5.399 4.031 668 2HB SER 89 HB3 SER 89 14.289 4.486 3.021 669 HG SER 89 HG SER 89 11.799 4.028 2.173 670 H SER 90 HN SER 90 12.501 4.716 6.128 671 HA SER 90 HA SER 90 14.104 3.085 7.941 672 1HB SER 90 HB2 SER 90 14.634 5.958 8.277 673 2HB SER 90 HB3 SER 90 15.748 4.595 8.333 674 HG SER 90 HG SER 90 15.921 4.635 6.125 675 H GLU 91 HN GLU 91 12.370 6.181 7.691 676 HA GLU 91 HA GLU 91 10.245 5.471 9.375 677 1HB GLU 91 HB2 GLU 91 12.125 5.634 11.068 678 2HB GLU 91 HB3 GLU 91 12.240 7.343 10.668 679 1HG GLU 91 HG2 GLU 91 9.677 7.298 11.211 680 2HG GLU 91 HG3 GLU 91 10.128 5.879 12.155 Start of MODEL 3 1 H GLU 11 HN GLU 11 19.209 -1.505 0.328 2 HA GLU 11 HA GLU 11 17.808 -3.888 1.235 3 1HB GLU 11 HB2 GLU 11 19.904 -3.467 2.675 4 2HB GLU 11 HB3 GLU 11 19.043 -2.062 3.290 5 1HG GLU 11 HG2 GLU 11 18.265 -3.460 4.845 6 2HG GLU 11 HG3 GLU 11 17.185 -4.036 3.578 7 H LEU 12 HN LEU 12 17.610 -0.928 0.044 8 HA LEU 12 HA LEU 12 15.535 0.101 1.789 9 1HB LEU 12 HB2 LEU 12 16.599 1.258 -0.776 10 2HB LEU 12 HB3 LEU 12 15.581 2.064 0.402 11 HG LEU 12 HG LEU 12 18.337 1.067 1.058 12 1HD1 LEU 12 HD11 LEU 12 18.373 3.861 0.899 13 2HD1 LEU 12 HD12 LEU 12 19.194 2.717 -0.161 14 3HD1 LEU 12 HD13 LEU 12 17.585 3.311 -0.579 15 1HD2 LEU 12 HD21 LEU 12 18.119 2.733 2.885 16 2HD2 LEU 12 HD22 LEU 12 16.449 2.999 2.385 17 3HD2 LEU 12 HD23 LEU 12 16.951 1.415 2.978 18 H ASN 13 HN ASN 13 14.846 -2.289 0.676 19 HA ASN 13 HA ASN 13 13.134 -1.851 -1.629 20 1HB ASN 13 HB2 ASN 13 14.556 -3.989 -0.937 21 2HB ASN 13 HB3 ASN 13 13.109 -4.373 -0.004 22 1HD2 ASN 13 HD21 ASN 13 11.867 -5.739 -1.026 23 2HD2 ASN 13 HD22 ASN 13 11.602 -5.801 -2.733 24 H ASN 14 HN ASN 14 12.554 -0.310 0.656 25 HA ASN 14 HA ASN 14 10.485 -1.398 2.243 26 1HB ASN 14 HB2 ASN 14 9.972 1.092 2.681 27 2HB ASN 14 HB3 ASN 14 11.534 0.465 3.186 28 1HD2 ASN 14 HD21 ASN 14 13.336 1.350 2.400 29 2HD2 ASN 14 HD22 ASN 14 13.376 2.624 1.215 30 H LEU 15 HN LEU 15 10.379 0.635 -0.694 31 HA LEU 15 HA LEU 15 7.603 1.005 -0.710 32 1HB LEU 15 HB2 LEU 15 9.640 1.905 -2.267 33 2HB LEU 15 HB3 LEU 15 8.872 0.762 -3.355 34 HG LEU 15 HG LEU 15 7.023 2.606 -1.985 35 1HD1 LEU 15 HD11 LEU 15 7.794 4.569 -2.720 36 2HD1 LEU 15 HD12 LEU 15 9.344 3.749 -2.897 37 3HD1 LEU 15 HD13 LEU 15 8.266 3.903 -4.284 38 1HD2 LEU 15 HD21 LEU 15 7.300 1.172 -4.536 39 2HD2 LEU 15 HD22 LEU 15 5.863 1.521 -3.576 40 3HD2 LEU 15 HD23 LEU 15 6.533 2.757 -4.648 41 H ARG 16 HN ARG 16 9.589 -1.586 -2.093 42 HA ARG 16 HA ARG 16 7.423 -2.874 -3.406 43 1HB ARG 16 HB2 ARG 16 10.112 -3.238 -3.447 44 2HB ARG 16 HB3 ARG 16 9.624 -4.586 -2.431 45 1HG ARG 16 HG2 ARG 16 7.855 -4.887 -4.365 46 2HG ARG 16 HG3 ARG 16 9.094 -4.058 -5.293 47 1HD ARG 16 HD2 ARG 16 10.262 -5.939 -5.456 48 2HD ARG 16 HD3 ARG 16 10.332 -6.064 -3.698 49 HE ARG 16 HE ARG 16 8.538 -7.550 -3.733 50 1HH1 ARG 16 HH12 ARG 16 9.196 -6.301 -6.948 51 2HH1 ARG 16 HH11 ARG 16 8.213 -7.490 -7.751 52 1HH2 ARG 16 HH22 ARG 16 7.280 -9.122 -4.761 53 2HH2 ARG 16 HH21 ARG 16 7.150 -9.138 -6.501 54 H MET 17 HN MET 17 8.845 -3.119 -0.198 55 HA MET 17 HA MET 17 7.334 -5.338 0.717 56 1HB MET 17 HB2 MET 17 9.348 -3.684 1.751 57 2HB MET 17 HB3 MET 17 7.973 -3.431 2.817 58 1HG MET 17 HG2 MET 17 8.610 -6.231 2.138 59 2HG MET 17 HG3 MET 17 9.780 -5.376 3.133 60 1HE MET 17 HE1 MET 17 9.132 -7.236 5.344 61 2HE MET 17 HE2 MET 17 7.456 -7.779 5.327 62 3HE MET 17 HE3 MET 17 8.427 -7.898 3.862 63 H THR 18 HN THR 18 6.739 -1.911 0.537 64 HA THR 18 HA THR 18 4.473 -1.768 2.203 65 HB THR 18 HB THR 18 5.020 -0.046 -0.230 66 HG1 THR 18 HG1 THR 18 6.747 -0.292 1.558 67 1HG2 THR 18 HG21 THR 18 3.732 1.633 0.898 68 2HG2 THR 18 HG22 THR 18 3.605 0.636 2.348 69 3HG2 THR 18 HG23 THR 18 2.783 0.145 0.868 70 H TYR 19 HN TYR 19 4.747 -2.064 -1.356 71 HA TYR 19 HA TYR 19 1.977 -2.367 -1.855 72 1HB TYR 19 HB2 TYR 19 3.384 -1.751 -3.686 73 2HB TYR 19 HB3 TYR 19 4.432 -3.142 -3.447 74 HD1 TYR 19 HD1 TYR 19 1.219 -1.988 -4.814 75 HD2 TYR 19 HD2 TYR 19 3.794 -5.340 -4.302 76 HE1 TYR 19 HE1 TYR 19 -0.099 -3.249 -6.464 77 HE2 TYR 19 HE2 TYR 19 2.481 -6.609 -5.949 78 HH TYR 19 HH TYR 19 -0.016 -5.117 -7.885 79 H GLU 20 HN GLU 20 4.555 -4.716 -1.280 80 HA GLU 20 HA GLU 20 3.023 -7.020 -1.791 81 1HB GLU 20 HB2 GLU 20 5.594 -6.415 -0.437 82 2HB GLU 20 HB3 GLU 20 4.847 -7.967 -0.093 83 1HG GLU 20 HG2 GLU 20 4.674 -8.246 -2.623 84 2HG GLU 20 HG3 GLU 20 5.799 -6.893 -2.717 85 H ARG 21 HN ARG 21 3.552 -5.155 1.175 86 HA ARG 21 HA ARG 21 2.220 -6.996 2.894 87 1HB ARG 21 HB2 ARG 21 3.812 -4.951 3.395 88 2HB ARG 21 HB3 ARG 21 2.297 -4.067 3.480 89 1HG ARG 21 HG2 ARG 21 2.682 -4.648 5.678 90 2HG ARG 21 HG3 ARG 21 1.565 -5.897 5.127 91 1HD ARG 21 HD2 ARG 21 4.099 -6.897 4.538 92 2HD ARG 21 HD3 ARG 21 4.266 -6.144 6.126 93 HE ARG 21 HE ARG 21 2.377 -7.558 6.843 94 1HH1 ARG 21 HH12 ARG 21 4.249 -8.486 4.029 95 2HH1 ARG 21 HH11 ARG 21 3.810 -10.169 4.130 96 1HH2 ARG 21 HH22 ARG 21 1.797 -9.772 6.992 97 2HH2 ARG 21 HH21 ARG 21 2.426 -10.909 5.827 98 H LEU 22 HN LEU 22 1.191 -4.281 0.940 99 HA LEU 22 HA LEU 22 -1.476 -4.114 2.009 100 1HB LEU 22 HB2 LEU 22 -0.072 -3.053 -0.434 101 2HB LEU 22 HB3 LEU 22 -1.814 -2.930 -0.292 102 HG LEU 22 HG LEU 22 -0.159 -1.907 1.959 103 1HD1 LEU 22 HD11 LEU 22 -0.104 0.303 0.743 104 2HD1 LEU 22 HD12 LEU 22 1.024 -0.919 0.155 105 3HD1 LEU 22 HD13 LEU 22 -0.467 -0.593 -0.732 106 1HD2 LEU 22 HD21 LEU 22 -2.224 -1.352 2.554 107 2HD2 LEU 22 HD22 LEU 22 -2.187 -0.155 1.257 108 3HD2 LEU 22 HD23 LEU 22 -2.865 -1.762 0.962 109 H ARG 23 HN ARG 23 0.111 -5.852 -0.587 110 HA ARG 23 HA ARG 23 -2.297 -6.809 -1.775 111 1HB ARG 23 HB2 ARG 23 0.049 -6.638 -2.815 112 2HB ARG 23 HB3 ARG 23 0.392 -8.139 -1.966 113 1HG ARG 23 HG2 ARG 23 -1.799 -8.947 -3.155 114 2HG ARG 23 HG3 ARG 23 -1.423 -7.627 -4.266 115 1HD ARG 23 HD2 ARG 23 1.001 -8.769 -4.089 116 2HD ARG 23 HD3 ARG 23 -0.018 -10.181 -3.805 117 HE ARG 23 HE ARG 23 -1.123 -9.007 -5.982 118 1HH1 ARG 23 HH12 ARG 23 2.115 -10.114 -5.213 119 2HH1 ARG 23 HH11 ARG 23 2.510 -10.473 -6.873 120 1HH2 ARG 23 HH22 ARG 23 -0.622 -9.469 -8.120 121 2HH2 ARG 23 HH21 ARG 23 0.957 -10.075 -8.538 122 H GLU 24 HN GLU 24 -0.073 -7.973 0.691 123 HA GLU 24 HA GLU 24 -1.200 -10.573 0.932 124 1HB GLU 24 HB2 GLU 24 1.026 -9.270 1.950 125 2HB GLU 24 HB3 GLU 24 0.002 -9.451 3.363 126 1HG GLU 24 HG2 GLU 24 1.753 -11.280 2.672 127 2HG GLU 24 HG3 GLU 24 0.207 -11.714 3.399 128 H LEU 25 HN LEU 25 -1.753 -7.445 2.411 129 HA LEU 25 HA LEU 25 -3.611 -8.327 4.373 130 1HB LEU 25 HB2 LEU 25 -2.288 -5.979 3.839 131 2HB LEU 25 HB3 LEU 25 -3.923 -5.582 3.351 132 HG LEU 25 HG LEU 25 -2.807 -5.999 6.039 133 1HD1 LEU 25 HD11 LEU 25 -3.492 -3.881 5.919 134 2HD1 LEU 25 HD12 LEU 25 -4.669 -4.228 4.650 135 3HD1 LEU 25 HD13 LEU 25 -5.060 -4.578 6.332 136 1HD2 LEU 25 HD21 LEU 25 -4.277 -7.433 6.861 137 2HD2 LEU 25 HD22 LEU 25 -5.599 -6.435 6.263 138 3HD2 LEU 25 HD23 LEU 25 -4.917 -7.691 5.235 139 H SER 26 HN SER 26 -3.811 -7.183 1.064 140 HA SER 26 HA SER 26 -6.600 -6.934 0.853 141 1HB SER 26 HB2 SER 26 -4.267 -6.860 -0.910 142 2HB SER 26 HB3 SER 26 -5.700 -7.508 -1.697 143 HG SER 26 HG SER 26 -5.150 -4.960 -0.848 144 H LEU 27 HN LEU 27 -4.433 -9.689 0.399 145 HA LEU 27 HA LEU 27 -6.487 -11.363 -0.690 146 1HB LEU 27 HB2 LEU 27 -3.666 -11.587 -0.018 147 2HB LEU 27 HB3 LEU 27 -4.564 -13.038 0.382 148 HG LEU 27 HG LEU 27 -5.460 -12.962 -2.011 149 1HD1 LEU 27 HD11 LEU 27 -4.671 -10.556 -2.302 150 2HD1 LEU 27 HD12 LEU 27 -3.058 -11.239 -2.508 151 3HD1 LEU 27 HD13 LEU 27 -4.344 -11.679 -3.626 152 1HD2 LEU 27 HD21 LEU 27 -3.402 -13.981 -2.920 153 2HD2 LEU 27 HD22 LEU 27 -2.537 -13.440 -1.481 154 3HD2 LEU 27 HD23 LEU 27 -3.844 -14.609 -1.329 155 H ASN 28 HN ASN 28 -5.305 -10.574 2.482 156 HA ASN 28 HA ASN 28 -6.661 -12.746 3.776 157 1HB ASN 28 HB2 ASN 28 -4.833 -12.102 5.023 158 2HB ASN 28 HB3 ASN 28 -5.052 -10.391 4.663 159 1HD2 ASN 28 HD21 ASN 28 -5.770 -9.197 6.238 160 2HD2 ASN 28 HD22 ASN 28 -6.628 -9.750 7.631 161 H LEU 29 HN LEU 29 -7.174 -9.193 3.900 162 HA LEU 29 HA LEU 29 -9.652 -9.364 5.225 163 1HB LEU 29 HB2 LEU 29 -8.569 -7.205 3.416 164 2HB LEU 29 HB3 LEU 29 -10.026 -7.046 4.370 165 HG LEU 29 HG LEU 29 -7.364 -7.619 5.626 166 1HD1 LEU 29 HD11 LEU 29 -7.653 -5.425 4.181 167 2HD1 LEU 29 HD12 LEU 29 -8.493 -4.878 5.633 168 3HD1 LEU 29 HD13 LEU 29 -6.818 -5.412 5.734 169 1HD2 LEU 29 HD21 LEU 29 -9.834 -7.775 6.687 170 2HD2 LEU 29 HD22 LEU 29 -8.391 -7.346 7.607 171 3HD2 LEU 29 HD23 LEU 29 -9.455 -6.078 6.998 172 H GLY 30 HN GLY 30 -8.788 -9.478 1.847 173 1HA GLY 30 HA1 GLY 30 -11.317 -9.008 0.756 174 2HA GLY 30 HA2 GLY 30 -10.011 -9.868 -0.040 175 H ASN 31 HN ASN 31 -9.777 -12.101 1.634 176 HA ASN 31 HA ASN 31 -12.095 -13.614 0.768 177 1HB ASN 31 HB2 ASN 31 -9.559 -14.327 0.797 178 2HB ASN 31 HB3 ASN 31 -9.912 -14.788 2.460 179 1HD2 ASN 31 HD21 ASN 31 -10.742 -16.765 2.797 180 2HD2 ASN 31 HD22 ASN 31 -11.427 -17.774 1.566 181 H ARG 32 HN ARG 32 -11.176 -11.953 3.561 182 HA ARG 32 HA ARG 32 -12.677 -13.644 5.383 183 1HB ARG 32 HB2 ARG 32 -10.471 -12.211 5.786 184 2HB ARG 32 HB3 ARG 32 -11.654 -10.978 6.197 185 1HG ARG 32 HG2 ARG 32 -12.634 -13.036 7.605 186 2HG ARG 32 HG3 ARG 32 -10.917 -13.444 7.621 187 1HD ARG 32 HD2 ARG 32 -11.481 -12.073 9.548 188 2HD ARG 32 HD3 ARG 32 -10.408 -11.196 8.455 189 HE ARG 32 HE ARG 32 -13.084 -10.601 7.821 190 1HH1 ARG 32 HH12 ARG 32 -10.682 -9.962 10.294 191 2HH1 ARG 32 HH11 ARG 32 -11.427 -8.471 10.794 192 1HH2 ARG 32 HH22 ARG 32 -14.012 -8.620 8.410 193 2HH2 ARG 32 HH21 ARG 32 -13.310 -7.690 9.711 194 H MET 33 HN MET 33 -13.343 -11.264 3.194 195 HA MET 33 HA MET 33 -15.556 -10.071 4.702 196 1HB MET 33 HB2 MET 33 -13.788 -9.087 2.700 197 2HB MET 33 HB3 MET 33 -15.385 -9.143 1.976 198 1HG MET 33 HG2 MET 33 -16.284 -7.650 3.513 199 2HG MET 33 HG3 MET 33 -14.965 -7.888 4.659 200 1HE MET 33 HE1 MET 33 -12.640 -5.259 4.116 201 2HE MET 33 HE2 MET 33 -13.131 -6.745 4.927 202 3HE MET 33 HE3 MET 33 -12.099 -6.815 3.496 203 H VAL 34 HN VAL 34 -17.717 -10.128 3.833 204 HA VAL 34 HA VAL 34 -18.155 -12.235 1.820 205 HB VAL 34 HB VAL 34 -20.011 -11.917 4.166 206 1HG1 VAL 34 HG11 VAL 34 -19.727 -14.558 3.114 207 2HG1 VAL 34 HG12 VAL 34 -21.151 -13.521 3.162 208 3HG1 VAL 34 HG13 VAL 34 -20.033 -13.421 1.801 209 1HG2 VAL 34 HG21 VAL 34 -18.269 -12.566 5.459 210 2HG2 VAL 34 HG22 VAL 34 -18.702 -14.158 4.834 211 3HG2 VAL 34 HG23 VAL 34 -17.379 -13.253 4.101 212 HA PRO 35 HA PRO 35 -19.263 -12.704 0.123 213 1HB PRO 35 HB2 PRO 35 -19.251 -11.017 -2.266 214 2HB PRO 35 HB3 PRO 35 -20.149 -12.503 -1.956 215 1HG PRO 35 HG2 PRO 35 -21.375 -10.106 -2.098 216 2HG PRO 35 HG3 PRO 35 -21.946 -11.379 -1.001 217 1HD PRO 35 HD2 PRO 35 -20.280 -8.960 -0.390 218 2HD PRO 35 HD3 PRO 35 -21.631 -9.657 0.529 219 HA PRO 36 HA PRO 36 -14.940 -11.822 0.166 220 1HB PRO 36 HB2 PRO 36 -14.781 -13.766 -2.076 221 2HB PRO 36 HB3 PRO 36 -13.895 -13.745 -0.550 222 1HG PRO 36 HG2 PRO 36 -15.875 -15.478 -0.898 223 2HG PRO 36 HG3 PRO 36 -15.689 -14.639 0.657 224 1HD PRO 36 HD2 PRO 36 -17.639 -14.088 -1.563 225 2HD PRO 36 HD3 PRO 36 -17.899 -14.051 0.196 226 H VAL 37 HN VAL 37 -13.850 -10.242 -0.698 227 HA VAL 37 HA VAL 37 -14.655 -9.010 -3.155 228 HB VAL 37 HB VAL 37 -12.068 -8.252 -1.919 229 1HG1 VAL 37 HG11 VAL 37 -13.829 -7.146 -3.737 230 2HG1 VAL 37 HG12 VAL 37 -14.070 -6.198 -2.268 231 3HG1 VAL 37 HG13 VAL 37 -12.461 -6.339 -2.968 232 1HG2 VAL 37 HG21 VAL 37 -12.834 -8.119 0.170 233 2HG2 VAL 37 HG22 VAL 37 -13.946 -6.869 -0.387 234 3HG2 VAL 37 HG23 VAL 37 -14.471 -8.552 -0.327 235 H GLY 38 HN GLY 38 -12.343 -11.358 -2.211 236 1HA GLY 38 HA1 GLY 38 -10.943 -12.685 -3.496 237 2HA GLY 38 HA2 GLY 38 -11.461 -11.792 -4.924 238 H ASN 39 HN ASN 39 -10.671 -9.574 -5.100 239 HA ASN 39 HA ASN 39 -7.940 -9.324 -4.046 240 1HB ASN 39 HB2 ASN 39 -7.603 -7.743 -6.047 241 2HB ASN 39 HB3 ASN 39 -7.680 -9.467 -6.397 242 1HD2 ASN 39 HD21 ASN 39 -9.555 -10.304 -7.407 243 2HD2 ASN 39 HD22 ASN 39 -10.658 -9.259 -8.254 244 H PHE 40 HN PHE 40 -9.035 -8.504 -2.169 245 HA PHE 40 HA PHE 40 -10.703 -6.638 -1.487 246 1HB PHE 40 HB2 PHE 40 -8.973 -7.602 -0.017 247 2HB PHE 40 HB3 PHE 40 -7.798 -6.486 -0.682 248 HD1 PHE 40 HD1 PHE 40 -7.133 -5.289 1.120 249 HD2 PHE 40 HD2 PHE 40 -11.295 -5.773 0.407 250 HE1 PHE 40 HE1 PHE 40 -7.595 -3.694 2.925 251 HE2 PHE 40 HE2 PHE 40 -11.794 -4.171 2.203 252 HZ PHE 40 HZ PHE 40 -9.947 -3.114 3.463 253 H MET 41 HN MET 41 -7.459 -5.350 -2.204 254 HA MET 41 HA MET 41 -8.783 -3.002 -3.396 255 1HB MET 41 HB2 MET 41 -7.250 -2.796 -1.333 256 2HB MET 41 HB3 MET 41 -5.930 -3.138 -2.444 257 1HG MET 41 HG2 MET 41 -6.285 -0.749 -2.013 258 2HG MET 41 HG3 MET 41 -6.405 -1.190 -3.716 259 1HE MET 41 HE1 MET 41 -8.026 -0.145 -0.530 260 2HE MET 41 HE2 MET 41 -7.964 1.343 -1.474 261 3HE MET 41 HE3 MET 41 -9.521 0.648 -1.028 262 HA PRO 42 HA PRO 42 -7.304 -4.479 -7.321 263 1HB PRO 42 HB2 PRO 42 -7.182 -1.615 -8.070 264 2HB PRO 42 HB3 PRO 42 -8.055 -2.948 -8.832 265 1HG PRO 42 HG2 PRO 42 -9.352 -1.101 -7.400 266 2HG PRO 42 HG3 PRO 42 -9.846 -2.801 -7.380 267 1HD PRO 42 HD2 PRO 42 -8.336 -1.249 -5.325 268 2HD PRO 42 HD3 PRO 42 -9.559 -2.519 -5.113 269 H ASP 43 HN ASP 43 -5.382 -4.700 -8.388 270 HA ASP 43 HA ASP 43 -2.982 -4.249 -7.108 271 1HB ASP 43 HB2 ASP 43 -2.750 -5.821 -8.757 272 2HB ASP 43 HB3 ASP 43 -3.809 -4.966 -9.868 273 H SER 44 HN SER 44 -4.592 -2.231 -9.508 274 HA SER 44 HA SER 44 -2.521 -0.397 -9.971 275 1HB SER 44 HB2 SER 44 -5.049 0.903 -10.214 276 2HB SER 44 HB3 SER 44 -4.016 0.265 -11.493 277 HG SER 44 HG SER 44 -6.348 -0.608 -10.950 278 H ILE 45 HN ILE 45 -5.260 -0.289 -7.703 279 HA ILE 45 HA ILE 45 -4.611 2.244 -6.624 280 HB ILE 45 HB ILE 45 -6.172 0.052 -5.253 281 1HG1 ILE 45 HG12 ILE 45 -6.821 1.076 -7.671 282 2HG1 ILE 45 HG13 ILE 45 -8.013 0.526 -6.499 283 1HG2 ILE 45 HG21 ILE 45 -5.377 1.977 -3.868 284 2HG2 ILE 45 HG22 ILE 45 -6.356 3.033 -4.882 285 3HG2 ILE 45 HG23 ILE 45 -7.128 1.772 -3.913 286 1HD1 ILE 45 HD11 ILE 45 -8.522 2.717 -7.529 287 2HD1 ILE 45 HD12 ILE 45 -8.416 2.768 -5.772 288 3HD1 ILE 45 HD13 ILE 45 -7.080 3.377 -6.756 289 H LEU 46 HN LEU 46 -3.763 -1.070 -5.700 290 HA LEU 46 HA LEU 46 -2.580 -0.486 -3.211 291 1HB LEU 46 HB2 LEU 46 -1.904 -2.674 -5.194 292 2HB LEU 46 HB3 LEU 46 -1.305 -2.600 -3.553 293 HG LEU 46 HG LEU 46 -4.249 -2.776 -4.188 294 1HD1 LEU 46 HD11 LEU 46 -2.378 -5.051 -3.546 295 2HD1 LEU 46 HD12 LEU 46 -4.112 -5.150 -3.845 296 3HD1 LEU 46 HD13 LEU 46 -3.016 -4.691 -5.150 297 1HD2 LEU 46 HD21 LEU 46 -4.220 -2.191 -2.002 298 2HD2 LEU 46 HD22 LEU 46 -3.921 -3.917 -1.782 299 3HD2 LEU 46 HD23 LEU 46 -2.575 -2.772 -1.749 300 H LYS 47 HN LYS 47 -1.278 -0.380 -6.498 301 HA LYS 47 HA LYS 47 1.422 -0.008 -5.717 302 1HB LYS 47 HB2 LYS 47 -0.117 0.243 -8.233 303 2HB LYS 47 HB3 LYS 47 1.425 1.085 -8.154 304 1HG LYS 47 HG2 LYS 47 2.550 -0.999 -7.602 305 2HG LYS 47 HG3 LYS 47 1.004 -1.849 -7.640 306 1HD LYS 47 HD2 LYS 47 2.257 -0.398 -9.962 307 2HD LYS 47 HD3 LYS 47 2.270 -2.147 -9.718 308 1HE LYS 47 HE2 LYS 47 -0.370 -1.580 -9.455 309 2HE LYS 47 HE3 LYS 47 0.120 -0.380 -10.646 310 1HZ LYS 47 HZ1 LYS 47 1.172 -2.997 -11.189 311 2HZ LYS 47 HZ2 LYS 47 0.332 -1.940 -12.212 312 3HZ LYS 47 HZ3 LYS 47 -0.522 -2.970 -11.168 313 H LYS 48 HN LYS 48 -1.096 2.332 -6.694 314 HA LYS 48 HA LYS 48 0.629 4.576 -6.439 315 1HB LYS 48 HB2 LYS 48 -1.652 5.830 -6.261 316 2HB LYS 48 HB3 LYS 48 -1.195 5.077 -7.779 317 1HG LYS 48 HG2 LYS 48 -2.644 3.211 -7.353 318 2HG LYS 48 HG3 LYS 48 -2.988 3.806 -5.726 319 1HD LYS 48 HD2 LYS 48 -4.830 4.595 -6.795 320 2HD LYS 48 HD3 LYS 48 -3.741 5.952 -7.090 321 1HE LYS 48 HE2 LYS 48 -3.190 5.051 -9.277 322 2HE LYS 48 HE3 LYS 48 -4.222 3.654 -8.974 323 1HZ LYS 48 HZ1 LYS 48 -6.061 4.808 -9.420 324 2HZ LYS 48 HZ2 LYS 48 -5.024 5.874 -10.235 325 3HZ LYS 48 HZ3 LYS 48 -5.522 6.218 -8.649 326 H MET 49 HN MET 49 -1.664 3.005 -4.300 327 HA MET 49 HA MET 49 -1.549 4.895 -2.204 328 1HB MET 49 HB2 MET 49 -3.187 3.645 -1.377 329 2HB MET 49 HB3 MET 49 -3.006 2.608 -2.784 330 1HG MET 49 HG2 MET 49 -1.080 1.611 -1.184 331 2HG MET 49 HG3 MET 49 -2.259 2.158 0.003 332 1HE MET 49 HE1 MET 49 -4.790 -0.055 0.291 333 2HE MET 49 HE2 MET 49 -4.472 1.674 0.131 334 3HE MET 49 HE3 MET 49 -5.434 0.838 -1.087 335 H ALA 50 HN ALA 50 0.471 2.181 -3.073 336 HA ALA 50 HA ALA 50 1.895 2.181 -0.561 337 1HB ALA 50 HB1 ALA 50 1.764 0.090 -1.667 338 2HB ALA 50 HB2 ALA 50 2.354 0.778 -3.181 339 3HB ALA 50 HB3 ALA 50 3.440 0.622 -1.802 340 H ALA 51 HN ALA 51 2.324 3.577 -3.767 341 HA ALA 51 HA ALA 51 5.042 4.377 -3.273 342 1HB ALA 51 HB1 ALA 51 4.759 4.159 -5.516 343 2HB ALA 51 HB2 ALA 51 3.088 4.719 -5.476 344 3HB ALA 51 HB3 ALA 51 4.410 5.883 -5.375 345 H ILE 52 HN ILE 52 1.898 6.023 -3.283 346 HA ILE 52 HA ILE 52 3.106 8.544 -2.510 347 HB ILE 52 HB ILE 52 0.332 7.623 -3.154 348 1HG1 ILE 52 HG12 ILE 52 0.518 9.787 -4.557 349 2HG1 ILE 52 HG13 ILE 52 2.223 9.747 -4.134 350 1HG2 ILE 52 HG21 ILE 52 -0.367 10.064 -2.589 351 2HG2 ILE 52 HG22 ILE 52 -0.325 8.847 -1.310 352 3HG2 ILE 52 HG23 ILE 52 0.998 9.997 -1.473 353 1HD1 ILE 52 HD11 ILE 52 0.700 8.068 -6.011 354 2HD1 ILE 52 HD12 ILE 52 2.377 8.619 -6.068 355 3HD1 ILE 52 HD13 ILE 52 1.938 7.250 -5.056 356 H LEU 53 HN LEU 53 1.336 5.916 -1.040 357 HA LEU 53 HA LEU 53 0.768 5.405 1.085 358 1HB LEU 53 HB2 LEU 53 3.392 6.810 1.392 359 2HB LEU 53 HB3 LEU 53 2.496 6.309 2.814 360 HG LEU 53 HG LEU 53 3.485 4.499 0.615 361 1HD1 LEU 53 HD11 LEU 53 4.482 3.669 3.061 362 2HD1 LEU 53 HD12 LEU 53 5.374 4.514 1.795 363 3HD1 LEU 53 HD13 LEU 53 4.628 5.425 3.112 364 1HD2 LEU 53 HD21 LEU 53 1.967 3.853 3.137 365 2HD2 LEU 53 HD22 LEU 53 1.337 3.751 1.493 366 3HD2 LEU 53 HD23 LEU 53 2.640 2.679 2.006 367 HA PRO 54 HA PRO 54 -1.232 9.525 1.819 368 1HB PRO 54 HB2 PRO 54 -3.717 8.018 1.619 369 2HB PRO 54 HB3 PRO 54 -3.182 9.406 0.670 370 1HG PRO 54 HG2 PRO 54 -3.404 6.926 -0.375 371 2HG PRO 54 HG3 PRO 54 -2.190 8.090 -0.930 372 1HD PRO 54 HD2 PRO 54 -1.870 5.778 0.949 373 2HD PRO 54 HD3 PRO 54 -0.799 6.312 -0.367 374 H MET 55 HN MET 55 -0.819 9.779 3.922 375 HA MET 55 HA MET 55 -1.749 7.911 5.926 376 1HB MET 55 HB2 MET 55 0.081 10.173 5.768 377 2HB MET 55 HB3 MET 55 -0.871 10.174 7.245 378 1HG MET 55 HG2 MET 55 -0.092 7.594 7.150 379 2HG MET 55 HG3 MET 55 1.272 8.384 6.359 380 1HE MET 55 HE1 MET 55 -0.114 7.670 10.198 381 2HE MET 55 HE2 MET 55 -0.425 9.387 10.456 382 3HE MET 55 HE3 MET 55 -1.196 8.543 9.114 383 H ASN 56 HN ASN 56 -2.734 10.958 4.575 384 HA ASN 56 HA ASN 56 -5.007 10.993 6.453 385 1HB ASN 56 HB2 ASN 56 -3.140 12.956 6.294 386 2HB ASN 56 HB3 ASN 56 -4.303 13.513 5.097 387 1HD2 ASN 56 HD21 ASN 56 -3.608 14.688 7.661 388 2HD2 ASN 56 HD22 ASN 56 -5.082 14.755 8.571 389 H ASP 57 HN ASP 57 -6.904 12.236 5.536 390 HA ASP 57 HA ASP 57 -7.735 10.950 3.146 391 1HB ASP 57 HB2 ASP 57 -8.913 12.784 5.101 392 2HB ASP 57 HB3 ASP 57 -9.530 12.984 3.470 393 H SER 58 HN SER 58 -6.286 14.027 3.835 394 HA SER 58 HA SER 58 -6.902 15.324 1.385 395 1HB SER 58 HB2 SER 58 -4.470 16.355 2.345 396 2HB SER 58 HB3 SER 58 -6.079 17.006 2.640 397 HG SER 58 HG SER 58 -6.220 15.795 4.524 398 H ALA 59 HN ALA 59 -4.360 13.203 2.523 399 HA ALA 59 HA ALA 59 -2.653 13.483 0.259 400 1HB ALA 59 HB1 ALA 59 -1.395 11.679 1.202 401 2HB ALA 59 HB2 ALA 59 -1.923 12.732 2.515 402 3HB ALA 59 HB3 ALA 59 -2.754 11.206 2.223 403 H PHE 60 HN PHE 60 -5.426 11.582 1.017 404 HA PHE 60 HA PHE 60 -5.094 9.491 -0.836 405 1HB PHE 60 HB2 PHE 60 -7.299 10.519 0.836 406 2HB PHE 60 HB3 PHE 60 -7.805 9.701 -0.638 407 HD1 PHE 60 HD1 PHE 60 -7.877 8.957 2.501 408 HD2 PHE 60 HD2 PHE 60 -5.632 7.721 -0.888 409 HE1 PHE 60 HE1 PHE 60 -7.453 6.784 3.575 410 HE2 PHE 60 HE2 PHE 60 -5.207 5.549 0.173 411 HZ PHE 60 HZ PHE 60 -6.118 5.073 2.392 412 H ALA 61 HN ALA 61 -6.074 12.781 -1.229 413 HA ALA 61 HA ALA 61 -7.515 12.565 -3.633 414 1HB ALA 61 HB1 ALA 61 -6.457 15.028 -3.840 415 2HB ALA 61 HB2 ALA 61 -7.829 14.629 -2.803 416 3HB ALA 61 HB3 ALA 61 -6.210 14.720 -2.118 417 H THR 62 HN THR 62 -4.078 12.464 -2.971 418 HA THR 62 HA THR 62 -3.337 13.012 -5.695 419 HB THR 62 HB THR 62 -1.159 11.825 -4.576 420 HG1 THR 62 HG1 THR 62 -2.194 11.835 -2.513 421 1HG2 THR 62 HG21 THR 62 -1.334 13.941 -5.892 422 2HG2 THR 62 HG22 THR 62 -0.228 14.013 -4.522 423 3HG2 THR 62 HG23 THR 62 -1.826 14.747 -4.397 424 H LEU 63 HN LEU 63 -4.823 10.435 -4.393 425 HA LEU 63 HA LEU 63 -3.339 8.321 -5.724 426 1HB LEU 63 HB2 LEU 63 -5.872 8.466 -4.117 427 2HB LEU 63 HB3 LEU 63 -5.567 7.062 -5.114 428 HG LEU 63 HG LEU 63 -4.170 7.960 -2.637 429 1HD1 LEU 63 HD11 LEU 63 -5.399 6.293 -1.880 430 2HD1 LEU 63 HD12 LEU 63 -5.849 5.788 -3.507 431 3HD1 LEU 63 HD13 LEU 63 -4.345 5.205 -2.782 432 1HD2 LEU 63 HD21 LEU 63 -2.309 7.675 -4.133 433 2HD2 LEU 63 HD22 LEU 63 -2.412 6.270 -3.069 434 3HD2 LEU 63 HD23 LEU 63 -2.975 6.156 -4.739 435 H GLY 64 HN GLY 64 -5.778 10.580 -6.414 436 1HA GLY 64 HA1 GLY 64 -6.228 10.867 -8.828 437 2HA GLY 64 HA2 GLY 64 -6.462 9.128 -8.877 438 H THR 65 HN THR 65 -8.434 8.285 -8.421 439 HA THR 65 HA THR 65 -10.404 9.974 -7.086 440 HB THR 65 HB THR 65 -12.039 9.022 -8.954 441 HG1 THR 65 HG1 THR 65 -10.597 8.017 -10.293 442 1HG2 THR 65 HG21 THR 65 -10.548 11.514 -8.612 443 2HG2 THR 65 HG22 THR 65 -12.272 11.247 -8.871 444 3HG2 THR 65 HG23 THR 65 -11.165 11.261 -10.245 445 H VAL 66 HN VAL 66 -10.872 8.697 -5.370 446 HA VAL 66 HA VAL 66 -11.439 5.868 -5.955 447 HB VAL 66 HB VAL 66 -11.154 5.453 -3.503 448 1HG1 VAL 66 HG11 VAL 66 -8.638 5.698 -3.542 449 2HG1 VAL 66 HG12 VAL 66 -9.369 4.822 -4.892 450 3HG1 VAL 66 HG13 VAL 66 -8.844 6.487 -5.107 451 1HG2 VAL 66 HG21 VAL 66 -10.084 7.059 -2.077 452 2HG2 VAL 66 HG22 VAL 66 -9.893 8.194 -3.415 453 3HG2 VAL 66 HG23 VAL 66 -11.502 7.832 -2.788 454 H GLU 67 HN GLU 67 -13.494 5.281 -5.901 455 HA GLU 67 HA GLU 67 -15.566 7.090 -5.246 456 1HB GLU 67 HB2 GLU 67 -15.363 4.277 -6.164 457 2HB GLU 67 HB3 GLU 67 -16.859 4.730 -5.367 458 1HG GLU 67 HG2 GLU 67 -17.367 5.153 -7.557 459 2HG GLU 67 HG3 GLU 67 -16.818 6.740 -7.014 460 H ASP 68 HN ASP 68 -17.388 6.449 -3.775 461 HA ASP 68 HA ASP 68 -16.567 6.480 -1.129 462 1HB ASP 68 HB2 ASP 68 -18.761 7.248 -1.559 463 2HB ASP 68 HB3 ASP 68 -19.195 5.773 -2.416 464 H LYS 69 HN LYS 69 -17.465 3.716 -3.154 465 HA LYS 69 HA LYS 69 -17.496 1.773 -1.107 466 1HB LYS 69 HB2 LYS 69 -17.314 0.120 -2.903 467 2HB LYS 69 HB3 LYS 69 -18.473 1.373 -3.320 468 1HG LYS 69 HG2 LYS 69 -16.503 2.469 -4.573 469 2HG LYS 69 HG3 LYS 69 -15.761 0.867 -4.459 470 1HD LYS 69 HD2 LYS 69 -17.344 -0.102 -5.817 471 2HD LYS 69 HD3 LYS 69 -18.570 1.109 -5.432 472 1HE LYS 69 HE2 LYS 69 -18.073 2.108 -7.364 473 2HE LYS 69 HE3 LYS 69 -16.521 2.542 -6.645 474 1HZ LYS 69 HZ1 LYS 69 -15.784 1.446 -8.458 475 2HZ LYS 69 HZ2 LYS 69 -17.160 0.462 -8.588 476 3HZ LYS 69 HZ3 LYS 69 -15.958 0.096 -7.440 477 H TYR 70 HN TYR 70 -14.897 3.290 -2.838 478 HA TYR 70 HA TYR 70 -12.921 1.329 -2.056 479 1HB TYR 70 HB2 TYR 70 -12.737 4.031 -3.391 480 2HB TYR 70 HB3 TYR 70 -11.309 3.118 -2.922 481 HD1 TYR 70 HD1 TYR 70 -14.004 3.438 -5.339 482 HD2 TYR 70 HD2 TYR 70 -10.827 0.942 -4.007 483 HE1 TYR 70 HE1 TYR 70 -14.106 2.186 -7.456 484 HE2 TYR 70 HE2 TYR 70 -10.921 -0.308 -6.113 485 HH TYR 70 HH TYR 70 -12.863 0.725 -8.803 486 H ARG 71 HN ARG 71 -14.017 4.510 -1.036 487 HA ARG 71 HA ARG 71 -11.969 4.921 0.913 488 1HB ARG 71 HB2 ARG 71 -14.730 6.143 0.609 489 2HB ARG 71 HB3 ARG 71 -13.556 6.650 1.814 490 1HG ARG 71 HG2 ARG 71 -12.094 6.788 -0.476 491 2HG ARG 71 HG3 ARG 71 -13.703 7.253 -1.032 492 1HD ARG 71 HD2 ARG 71 -13.764 8.830 0.958 493 2HD ARG 71 HD3 ARG 71 -12.035 8.524 1.112 494 HE ARG 71 HE ARG 71 -11.728 9.530 -1.052 495 1HH1 ARG 71 HH12 ARG 71 -14.888 9.952 0.368 496 2HH1 ARG 71 HH11 ARG 71 -15.291 11.325 -0.613 497 1HH2 ARG 71 HH22 ARG 71 -12.237 11.329 -2.343 498 2HH2 ARG 71 HH21 ARG 71 -13.775 12.117 -2.162 499 H ARG 72 HN ARG 72 -15.127 3.417 0.895 500 HA ARG 72 HA ARG 72 -15.499 3.154 3.641 501 1HB ARG 72 HB2 ARG 72 -17.452 2.768 2.595 502 2HB ARG 72 HB3 ARG 72 -16.667 2.046 1.197 503 1HG ARG 72 HG2 ARG 72 -16.177 0.230 3.149 504 2HG ARG 72 HG3 ARG 72 -17.794 0.797 3.562 505 1HD ARG 72 HD2 ARG 72 -18.508 0.345 1.251 506 2HD ARG 72 HD3 ARG 72 -16.891 -0.267 0.901 507 HE ARG 72 HE ARG 72 -18.779 -1.507 2.803 508 1HH1 ARG 72 HH12 ARG 72 -16.177 -1.742 0.471 509 2HH1 ARG 72 HH11 ARG 72 -16.043 -3.470 0.597 510 1HH2 ARG 72 HH22 ARG 72 -18.591 -3.783 2.984 511 2HH2 ARG 72 HH21 ARG 72 -17.397 -4.619 2.033 512 H ARG 73 HN ARG 73 -13.722 1.137 1.342 513 HA ARG 73 HA ARG 73 -13.177 -0.764 3.505 514 1HB ARG 73 HB2 ARG 73 -13.003 -2.389 1.962 515 2HB ARG 73 HB3 ARG 73 -13.807 -1.252 0.894 516 1HG ARG 73 HG2 ARG 73 -10.841 -1.161 1.063 517 2HG ARG 73 HG3 ARG 73 -11.602 -2.497 0.189 518 1HD ARG 73 HD2 ARG 73 -12.201 0.413 -0.287 519 2HD ARG 73 HD3 ARG 73 -11.037 -0.527 -1.227 520 HE ARG 73 HE ARG 73 -13.950 -0.834 -1.243 521 1HH1 ARG 73 HH12 ARG 73 -10.808 -1.644 -2.570 522 2HH1 ARG 73 HH11 ARG 73 -11.461 -2.530 -3.910 523 1HH2 ARG 73 HH22 ARG 73 -14.817 -1.938 -3.040 524 2HH2 ARG 73 HH21 ARG 73 -13.739 -2.678 -4.189 525 H PHE 74 HN PHE 74 -11.954 1.993 2.287 526 HA PHE 74 HA PHE 74 -9.152 1.461 2.204 527 1HB PHE 74 HB2 PHE 74 -10.872 3.708 1.821 528 2HB PHE 74 HB3 PHE 74 -9.616 4.172 2.966 529 HD1 PHE 74 HD1 PHE 74 -10.166 5.049 -0.020 530 HD2 PHE 74 HD2 PHE 74 -7.469 2.340 1.850 531 HE1 PHE 74 HE1 PHE 74 -8.584 5.339 -1.886 532 HE2 PHE 74 HE2 PHE 74 -5.890 2.626 -0.002 533 HZ PHE 74 HZ PHE 74 -6.439 4.128 -1.871 534 H LYS 75 HN LYS 75 -11.409 2.376 4.728 535 HA LYS 75 HA LYS 75 -9.594 3.127 6.716 536 1HB LYS 75 HB2 LYS 75 -11.438 2.415 8.300 537 2HB LYS 75 HB3 LYS 75 -11.880 3.605 7.084 538 1HG LYS 75 HG2 LYS 75 -12.656 1.526 5.718 539 2HG LYS 75 HG3 LYS 75 -12.668 0.734 7.302 540 1HD LYS 75 HD2 LYS 75 -13.994 2.906 7.999 541 2HD LYS 75 HD3 LYS 75 -14.359 2.959 6.274 542 1HE LYS 75 HE2 LYS 75 -16.006 1.508 6.643 543 2HE LYS 75 HE3 LYS 75 -14.788 0.303 7.048 544 1HZ LYS 75 HZ1 LYS 75 -16.520 0.639 8.769 545 2HZ LYS 75 HZ2 LYS 75 -15.932 2.208 9.015 546 3HZ LYS 75 HZ3 LYS 75 -14.939 0.870 9.342 547 H TYR 76 HN TYR 76 -10.433 -0.014 5.498 548 HA TYR 76 HA TYR 76 -9.424 -1.517 7.736 549 1HB TYR 76 HB2 TYR 76 -10.101 -2.360 4.906 550 2HB TYR 76 HB3 TYR 76 -9.677 -3.468 6.204 551 HD1 TYR 76 HD1 TYR 76 -12.344 -2.659 4.402 552 HD2 TYR 76 HD2 TYR 76 -11.159 -2.493 8.484 553 HE1 TYR 76 HE1 TYR 76 -14.705 -2.752 5.090 554 HE2 TYR 76 HE2 TYR 76 -13.512 -2.589 9.180 555 HH TYR 76 HH TYR 76 -15.630 -2.725 8.522 556 H PHE 77 HN PHE 77 -8.023 0.283 5.333 557 HA PHE 77 HA PHE 77 -5.528 -1.298 5.331 558 1HB PHE 77 HB2 PHE 77 -6.900 0.400 3.341 559 2HB PHE 77 HB3 PHE 77 -5.162 0.642 3.458 560 HD1 PHE 77 HD1 PHE 77 -7.023 -0.516 1.227 561 HD2 PHE 77 HD2 PHE 77 -4.402 -2.254 4.090 562 HE1 PHE 77 HE1 PHE 77 -6.662 -2.424 -0.268 563 HE2 PHE 77 HE2 PHE 77 -4.039 -4.179 2.589 564 HZ PHE 77 HZ PHE 77 -5.169 -4.254 0.394 565 H LYS 78 HN LYS 78 -7.023 1.625 6.352 566 HA LYS 78 HA LYS 78 -4.939 3.449 6.364 567 1HB LYS 78 HB2 LYS 78 -7.394 3.128 8.050 568 2HB LYS 78 HB3 LYS 78 -6.228 4.392 8.425 569 1HG LYS 78 HG2 LYS 78 -6.579 4.732 5.742 570 2HG LYS 78 HG3 LYS 78 -8.185 4.214 6.259 571 1HD LYS 78 HD2 LYS 78 -8.428 6.028 7.726 572 2HD LYS 78 HD3 LYS 78 -6.691 6.346 7.742 573 1HE LYS 78 HE2 LYS 78 -6.979 7.861 6.151 574 2HE LYS 78 HE3 LYS 78 -7.525 6.585 5.058 575 1HZ LYS 78 HZ1 LYS 78 -9.349 7.915 6.980 576 2HZ LYS 78 HZ2 LYS 78 -9.755 6.989 5.620 577 3HZ LYS 78 HZ3 LYS 78 -9.086 8.540 5.424 578 H ALA 79 HN ALA 79 -5.552 0.868 8.667 579 HA ALA 79 HA ALA 79 -3.771 1.888 10.641 580 1HB ALA 79 HB1 ALA 79 -5.547 0.343 11.231 581 2HB ALA 79 HB2 ALA 79 -4.784 -0.925 10.274 582 3HB ALA 79 HB3 ALA 79 -3.976 -0.294 11.714 583 H THR 80 HN THR 80 -3.402 -0.163 7.864 584 HA THR 80 HA THR 80 -0.669 -0.862 8.578 585 HB THR 80 HB THR 80 -2.016 -1.558 5.981 586 HG1 THR 80 HG1 THR 80 -3.352 -2.186 7.813 587 1HG2 THR 80 HG21 THR 80 -0.373 -3.605 7.138 588 2HG2 THR 80 HG22 THR 80 0.521 -2.086 7.108 589 3HG2 THR 80 HG23 THR 80 -0.157 -2.737 5.617 590 H ILE 81 HN ILE 81 -2.377 1.128 6.152 591 HA ILE 81 HA ILE 81 -0.139 1.825 4.603 592 HB ILE 81 HB ILE 81 -2.666 3.389 5.171 593 1HG1 ILE 81 HG12 ILE 81 -1.825 1.651 2.838 594 2HG1 ILE 81 HG13 ILE 81 -3.072 1.284 4.025 595 1HG2 ILE 81 HG21 ILE 81 -1.620 4.168 2.696 596 2HG2 ILE 81 HG22 ILE 81 -1.756 5.143 4.160 597 3HG2 ILE 81 HG23 ILE 81 -0.270 4.243 3.831 598 1HD1 ILE 81 HD11 ILE 81 -4.151 3.492 3.157 599 2HD1 ILE 81 HD12 ILE 81 -3.127 3.204 1.752 600 3HD1 ILE 81 HD13 ILE 81 -4.318 1.997 2.237 601 H ALA 82 HN ALA 82 -1.507 3.332 7.511 602 HA ALA 82 HA ALA 82 0.282 5.525 7.624 603 1HB ALA 82 HB1 ALA 82 -0.780 6.088 9.554 604 2HB ALA 82 HB2 ALA 82 -1.975 4.957 8.918 605 3HB ALA 82 HB3 ALA 82 -0.823 4.429 10.145 606 H ASP 83 HN ASP 83 0.458 2.239 8.837 607 HA ASP 83 HA ASP 83 2.732 2.652 10.498 608 1HB ASP 83 HB2 ASP 83 0.962 0.646 10.318 609 2HB ASP 83 HB3 ASP 83 2.236 -0.030 9.310 610 H LEU 84 HN LEU 84 2.257 1.586 7.170 611 HA LEU 84 HA LEU 84 4.981 0.958 6.704 612 1HB LEU 84 HB2 LEU 84 2.794 1.636 4.752 613 2HB LEU 84 HB3 LEU 84 4.356 0.968 4.321 614 HG LEU 84 HG LEU 84 2.610 -0.506 6.250 615 1HD1 LEU 84 HD11 LEU 84 1.209 -1.345 4.685 616 2HD1 LEU 84 HD12 LEU 84 1.487 0.238 3.961 617 3HD1 LEU 84 HD13 LEU 84 2.378 -1.166 3.376 618 1HD2 LEU 84 HD21 LEU 84 3.950 -2.283 5.797 619 2HD2 LEU 84 HD22 LEU 84 4.235 -1.789 4.127 620 3HD2 LEU 84 HD23 LEU 84 5.098 -0.992 5.441 621 H SER 85 HN SER 85 3.137 3.947 6.412 622 HA SER 85 HA SER 85 5.071 5.295 4.822 623 1HB SER 85 HB2 SER 85 3.722 7.315 5.989 624 2HB SER 85 HB3 SER 85 3.122 6.413 4.597 625 HG SER 85 HG SER 85 1.796 5.261 5.907 626 H LYS 86 HN LYS 86 4.507 4.975 8.274 627 HA LYS 86 HA LYS 86 6.376 6.989 9.027 628 1HB LYS 86 HB2 LYS 86 4.987 4.767 10.491 629 2HB LYS 86 HB3 LYS 86 6.254 5.695 11.282 630 1HG LYS 86 HG2 LYS 86 5.013 7.695 11.147 631 2HG LYS 86 HG3 LYS 86 3.871 6.995 9.995 632 1HD LYS 86 HD2 LYS 86 3.612 5.275 12.061 633 2HD LYS 86 HD3 LYS 86 3.978 6.773 12.923 634 1HE LYS 86 HE2 LYS 86 2.177 7.735 11.226 635 2HE LYS 86 HE3 LYS 86 1.630 6.057 11.251 636 1HZ LYS 86 HZ1 LYS 86 1.681 8.021 13.447 637 2HZ LYS 86 HZ2 LYS 86 1.774 6.370 13.804 638 3HZ LYS 86 HZ3 LYS 86 0.435 6.977 12.964 639 H LYS 87 HN LYS 87 6.517 3.521 8.533 640 HA LYS 87 HA LYS 87 9.196 3.221 9.467 641 1HB LYS 87 HB2 LYS 87 7.523 1.425 7.711 642 2HB LYS 87 HB3 LYS 87 9.060 0.975 8.432 643 1HG LYS 87 HG2 LYS 87 7.012 1.954 10.310 644 2HG LYS 87 HG3 LYS 87 6.640 0.428 9.507 645 1HD LYS 87 HD2 LYS 87 7.962 -0.604 10.966 646 2HD LYS 87 HD3 LYS 87 9.338 0.263 10.283 647 1HE LYS 87 HE2 LYS 87 7.918 2.016 12.014 648 2HE LYS 87 HE3 LYS 87 8.213 0.503 12.870 649 1HZ LYS 87 HZ1 LYS 87 10.579 1.094 11.584 650 2HZ LYS 87 HZ2 LYS 87 10.257 1.247 13.242 651 3HZ LYS 87 HZ3 LYS 87 10.044 2.574 12.212 652 H ARG 88 HN ARG 88 7.722 4.075 6.442 653 HA ARG 88 HA ARG 88 10.085 3.597 4.861 654 1HB ARG 88 HB2 ARG 88 7.584 3.571 4.112 655 2HB ARG 88 HB3 ARG 88 7.787 5.313 3.961 656 1HG ARG 88 HG2 ARG 88 9.688 4.920 2.441 657 2HG ARG 88 HG3 ARG 88 9.367 3.185 2.536 658 1HD ARG 88 HD2 ARG 88 7.969 3.450 0.820 659 2HD ARG 88 HD3 ARG 88 6.907 4.336 1.914 660 HE ARG 88 HE ARG 88 8.921 6.035 0.855 661 1HH1 ARG 88 HH12 ARG 88 5.950 4.441 -0.070 662 2HH1 ARG 88 HH11 ARG 88 5.515 5.659 -1.228 663 1HH2 ARG 88 HH22 ARG 88 8.340 7.644 -0.632 664 2HH2 ARG 88 HH21 ARG 88 6.868 7.496 -1.548 665 H SER 89 HN SER 89 9.235 5.965 7.042 666 HA SER 89 HA SER 89 10.528 8.158 5.629 667 1HB SER 89 HB2 SER 89 9.470 8.078 8.464 668 2HB SER 89 HB3 SER 89 9.942 9.513 7.553 669 HG SER 89 HG SER 89 7.795 7.748 6.996 670 H SER 90 HN SER 90 11.378 5.558 7.571 671 HA SER 90 HA SER 90 13.956 6.796 8.254 672 1HB SER 90 HB2 SER 90 13.585 4.477 9.829 673 2HB SER 90 HB3 SER 90 13.594 6.150 10.372 674 HG SER 90 HG SER 90 11.380 6.241 10.103 675 H GLU 91 HN GLU 91 14.427 3.761 9.083 676 HA GLU 91 HA GLU 91 15.073 2.804 6.384 677 1HB GLU 91 HB2 GLU 91 16.836 2.083 8.687 678 2HB GLU 91 HB3 GLU 91 17.221 2.159 6.974 679 1HG GLU 91 HG2 GLU 91 16.589 4.782 7.808 680 2HG GLU 91 HG3 GLU 91 17.677 4.090 9.011 Start of MODEL 4 1 H GLU 11 HN GLU 11 18.652 0.787 2.336 2 HA GLU 11 HA GLU 11 17.033 -0.423 1.307 3 1HB GLU 11 HB2 GLU 11 16.698 -0.586 4.062 4 2HB GLU 11 HB3 GLU 11 15.074 -0.353 3.431 5 1HG GLU 11 HG2 GLU 11 16.172 -2.746 3.702 6 2HG GLU 11 HG3 GLU 11 15.034 -2.364 2.410 7 H LEU 12 HN LEU 12 16.852 1.874 0.215 8 HA LEU 12 HA LEU 12 14.401 3.289 0.617 9 1HB LEU 12 HB2 LEU 12 16.633 3.385 -1.356 10 2HB LEU 12 HB3 LEU 12 15.109 4.133 -1.800 11 HG LEU 12 HG LEU 12 16.618 4.815 0.723 12 1HD1 LEU 12 HD11 LEU 12 16.582 6.417 -1.828 13 2HD1 LEU 12 HD12 LEU 12 17.504 6.739 -0.359 14 3HD1 LEU 12 HD13 LEU 12 17.905 5.347 -1.363 15 1HD2 LEU 12 HD21 LEU 12 14.814 6.792 -0.423 16 2HD2 LEU 12 HD22 LEU 12 14.000 5.293 0.028 17 3HD2 LEU 12 HD23 LEU 12 14.933 6.185 1.229 18 H ASN 13 HN ASN 13 15.068 0.353 -0.798 19 HA ASN 13 HA ASN 13 13.003 0.496 -2.847 20 1HB ASN 13 HB2 ASN 13 15.321 -0.939 -2.687 21 2HB ASN 13 HB3 ASN 13 14.153 -2.142 -2.151 22 1HD2 ASN 13 HD21 ASN 13 14.932 0.109 -4.736 23 2HD2 ASN 13 HD22 ASN 13 14.156 -0.797 -5.991 24 H ASN 14 HN ASN 14 12.720 0.570 0.244 25 HA ASN 14 HA ASN 14 11.288 -1.675 1.117 26 1HB ASN 14 HB2 ASN 14 10.650 -0.366 2.990 27 2HB ASN 14 HB3 ASN 14 12.231 0.256 2.519 28 1HD2 ASN 14 HD21 ASN 14 8.868 0.957 2.870 29 2HD2 ASN 14 HD22 ASN 14 8.954 2.625 2.428 30 H LEU 15 HN LEU 15 10.423 0.824 -1.042 31 HA LEU 15 HA LEU 15 7.669 1.040 -0.695 32 1HB LEU 15 HB2 LEU 15 9.504 2.112 -2.392 33 2HB LEU 15 HB3 LEU 15 8.640 1.040 -3.476 34 HG LEU 15 HG LEU 15 7.100 2.928 -1.750 35 1HD1 LEU 15 HD11 LEU 15 7.286 4.693 -3.357 36 2HD1 LEU 15 HD12 LEU 15 8.909 4.240 -2.839 37 3HD1 LEU 15 HD13 LEU 15 8.300 3.702 -4.406 38 1HD2 LEU 15 HD21 LEU 15 5.516 2.821 -3.555 39 2HD2 LEU 15 HD22 LEU 15 6.643 1.892 -4.543 40 3HD2 LEU 15 HD23 LEU 15 5.966 1.187 -3.077 41 H ARG 16 HN ARG 16 9.624 -1.408 -2.208 42 HA ARG 16 HA ARG 16 7.584 -2.750 -3.642 43 1HB ARG 16 HB2 ARG 16 9.919 -3.126 -4.172 44 2HB ARG 16 HB3 ARG 16 10.234 -3.715 -2.548 45 1HG ARG 16 HG2 ARG 16 8.205 -5.337 -3.520 46 2HG ARG 16 HG3 ARG 16 9.296 -5.118 -4.885 47 1HD ARG 16 HD2 ARG 16 10.337 -6.876 -3.904 48 2HD ARG 16 HD3 ARG 16 11.106 -5.578 -2.995 49 HE ARG 16 HE ARG 16 8.769 -7.072 -1.991 50 1HH1 ARG 16 HH12 ARG 16 11.894 -5.561 -1.464 51 2HH1 ARG 16 HH11 ARG 16 11.958 -6.020 0.214 52 1HH2 ARG 16 HH22 ARG 16 8.823 -7.602 0.196 53 2HH2 ARG 16 HH21 ARG 16 10.212 -7.184 1.167 54 H MET 17 HN MET 17 8.844 -3.016 -0.362 55 HA MET 17 HA MET 17 7.390 -5.344 0.347 56 1HB MET 17 HB2 MET 17 9.397 -4.331 1.582 57 2HB MET 17 HB3 MET 17 8.253 -3.195 2.280 58 1HG MET 17 HG2 MET 17 7.407 -4.710 3.698 59 2HG MET 17 HG3 MET 17 7.473 -6.012 2.508 60 1HE MET 17 HE1 MET 17 9.860 -4.066 5.273 61 2HE MET 17 HE2 MET 17 8.371 -4.928 5.651 62 3HE MET 17 HE3 MET 17 9.933 -5.624 6.092 63 H THR 18 HN THR 18 6.736 -1.906 0.434 64 HA THR 18 HA THR 18 4.411 -1.901 1.988 65 HB THR 18 HB THR 18 4.881 -0.063 -0.347 66 HG1 THR 18 HG1 THR 18 6.276 1.118 0.989 67 1HG2 THR 18 HG21 THR 18 3.737 1.573 0.975 68 2HG2 THR 18 HG22 THR 18 3.746 0.515 2.387 69 3HG2 THR 18 HG23 THR 18 2.760 0.102 0.986 70 H TYR 19 HN TYR 19 4.789 -2.023 -1.556 71 HA TYR 19 HA TYR 19 2.051 -2.269 -2.152 72 1HB TYR 19 HB2 TYR 19 3.350 -1.662 -3.986 73 2HB TYR 19 HB3 TYR 19 4.593 -2.852 -3.629 74 HD1 TYR 19 HD1 TYR 19 1.132 -2.481 -4.911 75 HD2 TYR 19 HD2 TYR 19 4.605 -4.926 -4.711 76 HE1 TYR 19 HE1 TYR 19 0.183 -3.967 -6.638 77 HE2 TYR 19 HE2 TYR 19 3.670 -6.420 -6.422 78 HH TYR 19 HH TYR 19 0.452 -5.842 -7.828 79 H GLU 20 HN GLU 20 4.571 -4.679 -1.589 80 HA GLU 20 HA GLU 20 3.057 -6.969 -2.191 81 1HB GLU 20 HB2 GLU 20 5.589 -6.358 -0.837 82 2HB GLU 20 HB3 GLU 20 4.795 -7.807 -0.244 83 1HG GLU 20 HG2 GLU 20 4.872 -8.829 -2.374 84 2HG GLU 20 HG3 GLU 20 5.332 -7.318 -3.155 85 H ARG 21 HN ARG 21 3.653 -5.281 0.855 86 HA ARG 21 HA ARG 21 2.203 -6.986 2.532 87 1HB ARG 21 HB2 ARG 21 3.775 -5.264 3.312 88 2HB ARG 21 HB3 ARG 21 2.664 -4.012 2.785 89 1HG ARG 21 HG2 ARG 21 1.627 -4.081 4.727 90 2HG ARG 21 HG3 ARG 21 1.266 -5.791 4.500 91 1HD ARG 21 HD2 ARG 21 3.919 -5.831 5.176 92 2HD ARG 21 HD3 ARG 21 3.299 -4.513 6.173 93 HE ARG 21 HE ARG 21 2.107 -7.223 6.169 94 1HH1 ARG 21 HH12 ARG 21 3.249 -4.369 7.845 95 2HH1 ARG 21 HH11 ARG 21 2.889 -4.992 9.426 96 1HH2 ARG 21 HH22 ARG 21 1.584 -8.038 8.263 97 2HH2 ARG 21 HH21 ARG 21 1.917 -7.056 9.662 98 H LEU 22 HN LEU 22 1.191 -4.273 0.524 99 HA LEU 22 HA LEU 22 -1.444 -4.130 1.629 100 1HB LEU 22 HB2 LEU 22 -0.053 -2.967 -0.728 101 2HB LEU 22 HB3 LEU 22 -1.802 -2.907 -0.682 102 HG LEU 22 HG LEU 22 -0.330 -1.972 1.721 103 1HD1 LEU 22 HD11 LEU 22 -0.647 0.256 0.026 104 2HD1 LEU 22 HD12 LEU 22 0.855 -0.427 0.652 105 3HD1 LEU 22 HD13 LEU 22 0.214 -0.972 -0.900 106 1HD2 LEU 22 HD21 LEU 22 -2.386 -0.245 0.775 107 2HD2 LEU 22 HD22 LEU 22 -2.982 -1.906 0.693 108 3HD2 LEU 22 HD23 LEU 22 -2.375 -1.253 2.220 109 H ARG 23 HN ARG 23 0.006 -5.812 -1.112 110 HA ARG 23 HA ARG 23 -2.488 -6.706 -2.172 111 1HB ARG 23 HB2 ARG 23 -0.144 -6.568 -3.308 112 2HB ARG 23 HB3 ARG 23 0.096 -8.163 -2.605 113 1HG ARG 23 HG2 ARG 23 -1.516 -9.134 -3.943 114 2HG ARG 23 HG3 ARG 23 -2.353 -7.607 -4.230 115 1HD ARG 23 HD2 ARG 23 -1.148 -7.200 -6.055 116 2HD ARG 23 HD3 ARG 23 0.368 -7.515 -5.214 117 HE ARG 23 HE ARG 23 0.071 -9.876 -5.731 118 1HH1 ARG 23 HH12 ARG 23 -1.818 -7.551 -7.542 119 2HH1 ARG 23 HH11 ARG 23 -2.152 -8.636 -8.859 120 1HH2 ARG 23 HH22 ARG 23 -0.387 -11.340 -7.432 121 2HH2 ARG 23 HH21 ARG 23 -1.333 -10.803 -8.791 122 H GLU 24 HN GLU 24 -0.103 -8.020 0.053 123 HA GLU 24 HA GLU 24 -1.343 -10.571 0.311 124 1HB GLU 24 HB2 GLU 24 1.065 -9.670 1.006 125 2HB GLU 24 HB3 GLU 24 0.254 -9.424 2.546 126 1HG GLU 24 HG2 GLU 24 1.183 -11.540 2.735 127 2HG GLU 24 HG3 GLU 24 -0.502 -11.854 2.339 128 H LEU 25 HN LEU 25 -1.688 -7.466 1.909 129 HA LEU 25 HA LEU 25 -3.366 -8.449 4.022 130 1HB LEU 25 HB2 LEU 25 -1.957 -6.134 3.612 131 2HB LEU 25 HB3 LEU 25 -3.589 -5.611 3.258 132 HG LEU 25 HG LEU 25 -2.314 -6.071 5.805 133 1HD1 LEU 25 HD11 LEU 25 -4.434 -4.492 4.596 134 2HD1 LEU 25 HD12 LEU 25 -4.760 -4.956 6.264 135 3HD1 LEU 25 HD13 LEU 25 -3.284 -4.075 5.867 136 1HD2 LEU 25 HD21 LEU 25 -4.669 -7.731 5.124 137 2HD2 LEU 25 HD22 LEU 25 -3.338 -8.057 6.232 138 3HD2 LEU 25 HD23 LEU 25 -4.639 -6.964 6.713 139 H SER 26 HN SER 26 -3.779 -7.154 0.808 140 HA SER 26 HA SER 26 -6.543 -6.621 0.884 141 1HB SER 26 HB2 SER 26 -4.427 -6.711 -1.112 142 2HB SER 26 HB3 SER 26 -5.923 -7.371 -1.748 143 HG SER 26 HG SER 26 -5.379 -4.794 -0.793 144 H LEU 27 HN LEU 27 -4.646 -9.496 0.230 145 HA LEU 27 HA LEU 27 -6.910 -11.086 -0.547 146 1HB LEU 27 HB2 LEU 27 -4.023 -11.403 -0.366 147 2HB LEU 27 HB3 LEU 27 -4.893 -12.829 0.157 148 HG LEU 27 HG LEU 27 -5.956 -13.077 -1.964 149 1HD1 LEU 27 HD11 LEU 27 -5.931 -11.538 -3.721 150 2HD1 LEU 27 HD12 LEU 27 -6.226 -10.558 -2.285 151 3HD1 LEU 27 HD13 LEU 27 -4.616 -10.604 -3.007 152 1HD2 LEU 27 HD21 LEU 27 -3.172 -13.144 -1.620 153 2HD2 LEU 27 HD22 LEU 27 -4.145 -14.031 -2.795 154 3HD2 LEU 27 HD23 LEU 27 -3.465 -12.464 -3.221 155 H ASN 28 HN ASN 28 -5.198 -10.363 2.396 156 HA ASN 28 HA ASN 28 -6.333 -12.524 3.903 157 1HB ASN 28 HB2 ASN 28 -4.167 -10.997 4.316 158 2HB ASN 28 HB3 ASN 28 -5.326 -10.113 5.308 159 1HD2 ASN 28 HD21 ASN 28 -3.877 -13.267 4.763 160 2HD2 ASN 28 HD22 ASN 28 -4.081 -13.846 6.388 161 H LEU 29 HN LEU 29 -6.789 -8.972 4.120 162 HA LEU 29 HA LEU 29 -9.005 -9.069 5.837 163 1HB LEU 29 HB2 LEU 29 -8.163 -6.992 3.826 164 2HB LEU 29 HB3 LEU 29 -9.528 -6.775 4.908 165 HG LEU 29 HG LEU 29 -6.755 -7.345 5.923 166 1HD1 LEU 29 HD11 LEU 29 -8.038 -4.657 5.502 167 2HD1 LEU 29 HD12 LEU 29 -6.447 -4.979 6.190 168 3HD1 LEU 29 HD13 LEU 29 -6.763 -5.341 4.490 169 1HD2 LEU 29 HD21 LEU 29 -9.003 -5.875 7.276 170 2HD2 LEU 29 HD22 LEU 29 -8.814 -7.629 7.391 171 3HD2 LEU 29 HD23 LEU 29 -7.543 -6.565 7.989 172 H GLY 30 HN GLY 30 -8.764 -9.241 2.342 173 1HA GLY 30 HA1 GLY 30 -11.453 -8.821 1.709 174 2HA GLY 30 HA2 GLY 30 -10.320 -9.736 0.735 175 H ASN 31 HN ASN 31 -9.810 -11.766 2.793 176 HA ASN 31 HA ASN 31 -12.280 -13.307 2.455 177 1HB ASN 31 HB2 ASN 31 -10.053 -14.277 1.757 178 2HB ASN 31 HB3 ASN 31 -9.585 -14.268 3.456 179 1HD2 ASN 31 HD21 ASN 31 -10.003 -16.004 4.604 180 2HD2 ASN 31 HD22 ASN 31 -11.112 -17.262 4.172 181 H ARG 32 HN ARG 32 -10.552 -11.546 4.788 182 HA ARG 32 HA ARG 32 -11.555 -12.956 7.111 183 1HB ARG 32 HB2 ARG 32 -9.378 -11.393 6.720 184 2HB ARG 32 HB3 ARG 32 -10.490 -10.199 7.373 185 1HG ARG 32 HG2 ARG 32 -10.012 -10.900 9.411 186 2HG ARG 32 HG3 ARG 32 -10.692 -12.481 9.015 187 1HD ARG 32 HD2 ARG 32 -8.574 -13.285 8.272 188 2HD ARG 32 HD3 ARG 32 -7.867 -11.671 8.362 189 HE ARG 32 HE ARG 32 -8.880 -12.628 10.872 190 1HH1 ARG 32 HH12 ARG 32 -6.119 -12.560 8.722 191 2HH1 ARG 32 HH11 ARG 32 -4.977 -12.980 9.966 192 1HH2 ARG 32 HH22 ARG 32 -7.397 -13.118 12.517 193 2HH2 ARG 32 HH21 ARG 32 -5.701 -13.245 12.150 194 H MET 33 HN MET 33 -12.733 -10.829 4.884 195 HA MET 33 HA MET 33 -14.489 -9.351 6.653 196 1HB MET 33 HB2 MET 33 -13.383 -8.410 4.527 197 2HB MET 33 HB3 MET 33 -14.556 -9.370 3.631 198 1HG MET 33 HG2 MET 33 -16.062 -7.782 3.864 199 2HG MET 33 HG3 MET 33 -15.952 -7.909 5.616 200 1HE MET 33 HE1 MET 33 -16.920 -5.391 4.964 201 2HE MET 33 HE2 MET 33 -15.842 -4.047 4.594 202 3HE MET 33 HE3 MET 33 -16.296 -5.186 3.324 203 H VAL 34 HN VAL 34 -16.698 -9.643 6.740 204 HA VAL 34 HA VAL 34 -17.838 -11.934 5.292 205 HB VAL 34 HB VAL 34 -18.451 -11.313 8.201 206 1HG1 VAL 34 HG11 VAL 34 -19.084 -13.950 7.081 207 2HG1 VAL 34 HG12 VAL 34 -20.054 -12.887 8.102 208 3HG1 VAL 34 HG13 VAL 34 -19.984 -12.617 6.359 209 1HG2 VAL 34 HG21 VAL 34 -16.098 -12.225 7.666 210 2HG2 VAL 34 HG22 VAL 34 -17.058 -13.062 8.886 211 3HG2 VAL 34 HG23 VAL 34 -16.933 -13.725 7.256 212 HA PRO 35 HA PRO 35 -19.192 -12.318 3.986 213 1HB PRO 35 HB2 PRO 35 -20.035 -10.928 1.600 214 2HB PRO 35 HB3 PRO 35 -20.814 -12.275 2.424 215 1HG PRO 35 HG2 PRO 35 -21.828 -9.707 2.300 216 2HG PRO 35 HG3 PRO 35 -22.275 -10.929 3.501 217 1HD PRO 35 HD2 PRO 35 -20.461 -8.588 3.769 218 2HD PRO 35 HD3 PRO 35 -21.507 -9.352 4.981 219 HA PRO 36 HA PRO 36 -15.156 -11.373 2.465 220 1HB PRO 36 HB2 PRO 36 -15.832 -13.211 0.225 221 2HB PRO 36 HB3 PRO 36 -14.448 -13.233 1.329 222 1HG PRO 36 HG2 PRO 36 -16.410 -14.978 1.653 223 2HG PRO 36 HG3 PRO 36 -15.677 -14.191 3.061 224 1HD PRO 36 HD2 PRO 36 -18.290 -13.616 1.720 225 2HD PRO 36 HD3 PRO 36 -17.890 -13.648 3.450 226 H VAL 37 HN VAL 37 -14.174 -10.045 1.066 227 HA VAL 37 HA VAL 37 -15.873 -8.584 -0.774 228 HB VAL 37 HB VAL 37 -12.945 -8.042 -0.518 229 1HG1 VAL 37 HG11 VAL 37 -13.698 -6.421 -1.862 230 2HG1 VAL 37 HG12 VAL 37 -15.366 -6.585 -1.312 231 3HG1 VAL 37 HG13 VAL 37 -14.211 -5.652 -0.357 232 1HG2 VAL 37 HG21 VAL 37 -14.968 -7.334 1.597 233 2HG2 VAL 37 HG22 VAL 37 -13.561 -8.383 1.777 234 3HG2 VAL 37 HG23 VAL 37 -13.343 -6.658 1.482 235 H GLY 38 HN GLY 38 -13.252 -10.850 -0.868 236 1HA GLY 38 HA1 GLY 38 -12.565 -12.165 -2.650 237 2HA GLY 38 HA2 GLY 38 -13.686 -11.292 -3.689 238 H ASN 39 HN ASN 39 -13.093 -9.132 -4.348 239 HA ASN 39 HA ASN 39 -10.182 -8.864 -4.660 240 1HB ASN 39 HB2 ASN 39 -11.755 -8.911 -6.713 241 2HB ASN 39 HB3 ASN 39 -12.270 -7.311 -6.188 242 1HD2 ASN 39 HD21 ASN 39 -11.443 -6.690 -8.308 243 2HD2 ASN 39 HD22 ASN 39 -9.757 -6.345 -8.481 244 H PHE 40 HN PHE 40 -9.842 -8.009 -2.626 245 HA PHE 40 HA PHE 40 -11.254 -5.955 -1.386 246 1HB PHE 40 HB2 PHE 40 -9.447 -7.521 -0.454 247 2HB PHE 40 HB3 PHE 40 -8.283 -6.373 -1.090 248 HD1 PHE 40 HD1 PHE 40 -7.285 -5.447 0.750 249 HD2 PHE 40 HD2 PHE 40 -11.529 -5.753 0.652 250 HE1 PHE 40 HE1 PHE 40 -7.402 -4.174 2.844 251 HE2 PHE 40 HE2 PHE 40 -11.663 -4.471 2.751 252 HZ PHE 40 HZ PHE 40 -9.604 -3.678 3.848 253 H MET 41 HN MET 41 -7.908 -5.243 -2.313 254 HA MET 41 HA MET 41 -8.893 -2.730 -3.483 255 1HB MET 41 HB2 MET 41 -7.383 -2.758 -1.388 256 2HB MET 41 HB3 MET 41 -6.095 -3.210 -2.489 257 1HG MET 41 HG2 MET 41 -6.133 -0.818 -1.997 258 2HG MET 41 HG3 MET 41 -6.366 -1.154 -3.715 259 1HE MET 41 HE1 MET 41 -7.847 1.269 -0.974 260 2HE MET 41 HE2 MET 41 -9.383 0.443 -0.703 261 3HE MET 41 HE3 MET 41 -7.865 -0.397 -0.392 262 HA PRO 42 HA PRO 42 -7.376 -4.269 -7.384 263 1HB PRO 42 HB2 PRO 42 -7.138 -1.463 -8.220 264 2HB PRO 42 HB3 PRO 42 -8.166 -2.745 -8.869 265 1HG PRO 42 HG2 PRO 42 -9.176 -0.697 -7.442 266 2HG PRO 42 HG3 PRO 42 -9.856 -2.332 -7.378 267 1HD PRO 42 HD2 PRO 42 -8.071 -0.942 -5.428 268 2HD PRO 42 HD3 PRO 42 -9.468 -1.997 -5.130 269 H ASP 43 HN ASP 43 -5.476 -4.506 -8.451 270 HA ASP 43 HA ASP 43 -3.077 -4.134 -7.118 271 1HB ASP 43 HB2 ASP 43 -3.537 -5.708 -9.043 272 2HB ASP 43 HB3 ASP 43 -3.385 -4.321 -10.119 273 H SER 44 HN SER 44 -4.628 -2.073 -9.509 274 HA SER 44 HA SER 44 -2.542 -0.293 -10.013 275 1HB SER 44 HB2 SER 44 -4.943 1.168 -10.149 276 2HB SER 44 HB3 SER 44 -4.112 0.347 -11.470 277 HG SER 44 HG SER 44 -6.187 -0.445 -11.363 278 H ILE 45 HN ILE 45 -5.267 0.066 -7.734 279 HA ILE 45 HA ILE 45 -4.329 2.469 -6.604 280 HB ILE 45 HB ILE 45 -6.061 0.413 -5.223 281 1HG1 ILE 45 HG12 ILE 45 -6.851 1.177 -7.534 282 2HG1 ILE 45 HG13 ILE 45 -7.981 1.385 -6.201 283 1HG2 ILE 45 HG21 ILE 45 -5.473 1.941 -3.586 284 2HG2 ILE 45 HG22 ILE 45 -5.464 3.302 -4.705 285 3HG2 ILE 45 HG23 ILE 45 -6.995 2.593 -4.186 286 1HD1 ILE 45 HD11 ILE 45 -6.816 3.790 -6.138 287 2HD1 ILE 45 HD12 ILE 45 -6.594 3.404 -7.846 288 3HD1 ILE 45 HD13 ILE 45 -8.212 3.417 -7.150 289 H LEU 46 HN LEU 46 -3.780 -0.912 -5.745 290 HA LEU 46 HA LEU 46 -2.554 -0.570 -3.261 291 1HB LEU 46 HB2 LEU 46 -2.051 -2.628 -5.407 292 2HB LEU 46 HB3 LEU 46 -1.331 -2.710 -3.813 293 HG LEU 46 HG LEU 46 -4.308 -2.726 -4.322 294 1HD1 LEU 46 HD11 LEU 46 -2.383 -5.004 -3.876 295 2HD1 LEU 46 HD12 LEU 46 -4.141 -5.144 -3.821 296 3HD1 LEU 46 HD13 LEU 46 -3.342 -4.685 -5.323 297 1HD2 LEU 46 HD21 LEU 46 -4.386 -3.638 -2.009 298 2HD2 LEU 46 HD22 LEU 46 -2.659 -3.303 -1.859 299 3HD2 LEU 46 HD23 LEU 46 -3.796 -1.973 -2.094 300 H LYS 47 HN LYS 47 -1.267 -0.256 -6.500 301 HA LYS 47 HA LYS 47 1.438 -0.037 -5.653 302 1HB LYS 47 HB2 LYS 47 -0.011 0.413 -8.225 303 2HB LYS 47 HB3 LYS 47 1.685 0.854 -8.063 304 1HG LYS 47 HG2 LYS 47 2.204 -1.451 -7.427 305 2HG LYS 47 HG3 LYS 47 0.506 -1.880 -7.614 306 1HD LYS 47 HD2 LYS 47 0.587 -1.394 -9.964 307 2HD LYS 47 HD3 LYS 47 2.234 -0.776 -9.813 308 1HE LYS 47 HE2 LYS 47 3.134 -2.827 -9.799 309 2HE LYS 47 HE3 LYS 47 1.861 -3.485 -8.775 310 1HZ LYS 47 HZ1 LYS 47 0.459 -3.817 -10.607 311 2HZ LYS 47 HZ2 LYS 47 1.974 -4.398 -11.091 312 3HZ LYS 47 HZ3 LYS 47 1.438 -2.883 -11.635 313 H LYS 48 HN LYS 48 -1.013 2.413 -6.621 314 HA LYS 48 HA LYS 48 0.855 4.560 -6.334 315 1HB LYS 48 HB2 LYS 48 -1.675 5.672 -5.895 316 2HB LYS 48 HB3 LYS 48 -0.769 5.664 -7.397 317 1HG LYS 48 HG2 LYS 48 -1.885 3.675 -8.121 318 2HG LYS 48 HG3 LYS 48 -2.685 3.509 -6.559 319 1HD LYS 48 HD2 LYS 48 -4.355 4.779 -7.285 320 2HD LYS 48 HD3 LYS 48 -3.227 6.109 -7.533 321 1HE LYS 48 HE2 LYS 48 -2.660 4.904 -9.751 322 2HE LYS 48 HE3 LYS 48 -4.193 4.070 -9.494 323 1HZ LYS 48 HZ1 LYS 48 -5.104 5.827 -10.497 324 2HZ LYS 48 HZ2 LYS 48 -3.696 6.764 -10.356 325 3HZ LYS 48 HZ3 LYS 48 -4.802 6.697 -9.070 326 H MET 49 HN MET 49 -1.555 3.091 -4.257 327 HA MET 49 HA MET 49 -1.297 4.903 -2.107 328 1HB MET 49 HB2 MET 49 -2.967 3.732 -1.219 329 2HB MET 49 HB3 MET 49 -2.979 2.829 -2.726 330 1HG MET 49 HG2 MET 49 -1.063 1.520 -1.361 331 2HG MET 49 HG3 MET 49 -2.130 2.046 -0.065 332 1HE MET 49 HE1 MET 49 -5.099 -0.006 -0.179 333 2HE MET 49 HE2 MET 49 -4.272 1.449 0.379 334 3HE MET 49 HE3 MET 49 -5.298 1.514 -1.053 335 H ALA 50 HN ALA 50 0.535 2.122 -3.104 336 HA ALA 50 HA ALA 50 1.941 1.785 -0.628 337 1HB ALA 50 HB1 ALA 50 3.133 0.846 -3.184 338 2HB ALA 50 HB2 ALA 50 2.981 0.020 -1.634 339 3HB ALA 50 HB3 ALA 50 1.584 0.152 -2.705 340 H ALA 51 HN ALA 51 2.361 3.700 -3.522 341 HA ALA 51 HA ALA 51 5.105 4.385 -2.874 342 1HB ALA 51 HB1 ALA 51 5.218 4.776 -5.055 343 2HB ALA 51 HB2 ALA 51 3.494 4.434 -5.206 344 3HB ALA 51 HB3 ALA 51 4.045 6.082 -4.904 345 H ILE 52 HN ILE 52 1.961 6.052 -2.949 346 HA ILE 52 HA ILE 52 3.111 8.501 -1.956 347 HB ILE 52 HB ILE 52 0.328 7.593 -2.602 348 1HG1 ILE 52 HG12 ILE 52 0.816 10.035 -3.803 349 2HG1 ILE 52 HG13 ILE 52 2.404 9.270 -3.814 350 1HG2 ILE 52 HG21 ILE 52 0.313 8.977 -0.488 351 2HG2 ILE 52 HG22 ILE 52 0.915 10.314 -1.467 352 3HG2 ILE 52 HG23 ILE 52 -0.657 9.594 -1.825 353 1HD1 ILE 52 HD11 ILE 52 0.907 8.940 -5.841 354 2HD1 ILE 52 HD12 ILE 52 1.660 7.506 -5.151 355 3HD1 ILE 52 HD13 ILE 52 -0.041 7.860 -4.819 356 H LEU 53 HN LEU 53 1.299 5.800 -0.647 357 HA LEU 53 HA LEU 53 0.731 5.155 1.444 358 1HB LEU 53 HB2 LEU 53 3.358 6.504 1.754 359 2HB LEU 53 HB3 LEU 53 2.461 6.158 3.226 360 HG LEU 53 HG LEU 53 3.224 4.118 1.134 361 1HD1 LEU 53 HD11 LEU 53 5.131 3.721 2.216 362 2HD1 LEU 53 HD12 LEU 53 4.894 5.299 2.964 363 3HD1 LEU 53 HD13 LEU 53 4.359 3.831 3.795 364 1HD2 LEU 53 HD21 LEU 53 1.332 4.067 3.303 365 2HD2 LEU 53 HD22 LEU 53 1.667 2.847 2.075 366 3HD2 LEU 53 HD23 LEU 53 2.614 2.888 3.566 367 HA PRO 54 HA PRO 54 -1.310 9.222 2.300 368 1HB PRO 54 HB2 PRO 54 -3.812 8.021 1.535 369 2HB PRO 54 HB3 PRO 54 -2.940 9.338 0.752 370 1HG PRO 54 HG2 PRO 54 -3.282 6.867 -0.369 371 2HG PRO 54 HG3 PRO 54 -1.935 7.953 -0.758 372 1HD PRO 54 HD2 PRO 54 -1.995 5.598 1.095 373 2HD PRO 54 HD3 PRO 54 -0.738 6.093 -0.065 374 H MET 55 HN MET 55 -1.450 9.375 4.444 375 HA MET 55 HA MET 55 -2.835 7.296 5.963 376 1HB MET 55 HB2 MET 55 -1.013 9.563 6.691 377 2HB MET 55 HB3 MET 55 -2.059 8.850 7.916 378 1HG MET 55 HG2 MET 55 -1.079 6.664 7.488 379 2HG MET 55 HG3 MET 55 -0.036 7.367 6.254 380 1HE MET 55 HE1 MET 55 -1.355 8.148 9.659 381 2HE MET 55 HE2 MET 55 0.043 8.253 10.724 382 3HE MET 55 HE3 MET 55 -0.413 9.639 9.726 383 H ASN 56 HN ASN 56 -3.323 10.504 4.789 384 HA ASN 56 HA ASN 56 -5.819 10.739 6.345 385 1HB ASN 56 HB2 ASN 56 -3.736 12.490 6.424 386 2HB ASN 56 HB3 ASN 56 -4.727 13.185 5.142 387 1HD2 ASN 56 HD21 ASN 56 -4.587 14.833 7.099 388 2HD2 ASN 56 HD22 ASN 56 -5.957 14.777 8.158 389 H ASP 57 HN ASP 57 -7.536 12.005 5.240 390 HA ASP 57 HA ASP 57 -8.139 10.878 2.736 391 1HB ASP 57 HB2 ASP 57 -9.819 11.738 4.389 392 2HB ASP 57 HB3 ASP 57 -9.368 13.374 3.919 393 H SER 58 HN SER 58 -6.634 13.933 3.589 394 HA SER 58 HA SER 58 -6.878 15.232 1.112 395 1HB SER 58 HB2 SER 58 -4.395 15.853 2.459 396 2HB SER 58 HB3 SER 58 -5.830 16.860 2.250 397 HG SER 58 HG SER 58 -6.115 16.562 4.307 398 H ALA 59 HN ALA 59 -4.530 12.965 2.385 399 HA ALA 59 HA ALA 59 -2.699 13.125 0.203 400 1HB ALA 59 HB1 ALA 59 -2.105 10.745 1.239 401 2HB ALA 59 HB2 ALA 59 -1.606 12.254 2.002 402 3HB ALA 59 HB3 ALA 59 -3.031 11.394 2.590 403 H PHE 60 HN PHE 60 -5.625 11.406 0.847 404 HA PHE 60 HA PHE 60 -5.326 9.342 -1.069 405 1HB PHE 60 HB2 PHE 60 -7.562 10.439 0.562 406 2HB PHE 60 HB3 PHE 60 -7.993 9.495 -0.863 407 HD1 PHE 60 HD1 PHE 60 -8.505 8.770 2.075 408 HD2 PHE 60 HD2 PHE 60 -5.391 7.801 -0.652 409 HE1 PHE 60 HE1 PHE 60 -8.065 6.695 3.320 410 HE2 PHE 60 HE2 PHE 60 -4.946 5.729 0.580 411 HZ PHE 60 HZ PHE 60 -6.267 5.172 2.555 412 H ALA 61 HN ALA 61 -6.154 12.678 -1.292 413 HA ALA 61 HA ALA 61 -7.592 12.615 -3.718 414 1HB ALA 61 HB1 ALA 61 -7.831 14.747 -3.192 415 2HB ALA 61 HB2 ALA 61 -6.592 14.602 -1.944 416 3HB ALA 61 HB3 ALA 61 -6.137 15.033 -3.591 417 H THR 62 HN THR 62 -4.188 12.405 -2.990 418 HA THR 62 HA THR 62 -3.321 12.963 -5.669 419 HB THR 62 HB THR 62 -1.236 11.718 -4.404 420 HG1 THR 62 HG1 THR 62 -2.259 11.834 -2.392 421 1HG2 THR 62 HG21 THR 62 -1.689 14.673 -4.321 422 2HG2 THR 62 HG22 THR 62 -1.408 13.827 -5.842 423 3HG2 THR 62 HG23 THR 62 -0.179 13.799 -4.577 424 H LEU 63 HN LEU 63 -4.804 10.341 -4.317 425 HA LEU 63 HA LEU 63 -3.329 8.232 -5.648 426 1HB LEU 63 HB2 LEU 63 -5.921 8.395 -4.141 427 2HB LEU 63 HB3 LEU 63 -5.555 6.978 -5.091 428 HG LEU 63 HG LEU 63 -4.472 7.843 -2.494 429 1HD1 LEU 63 HD11 LEU 63 -6.038 5.975 -2.823 430 2HD1 LEU 63 HD12 LEU 63 -4.804 5.143 -3.768 431 3HD1 LEU 63 HD13 LEU 63 -4.525 5.483 -2.060 432 1HD2 LEU 63 HD21 LEU 63 -2.414 8.006 -3.600 433 2HD2 LEU 63 HD22 LEU 63 -2.430 6.391 -2.887 434 3HD2 LEU 63 HD23 LEU 63 -2.748 6.601 -4.613 435 H GLY 64 HN GLY 64 -5.513 10.604 -6.509 436 1HA GLY 64 HA1 GLY 64 -5.907 10.867 -8.932 437 2HA GLY 64 HA2 GLY 64 -6.346 9.159 -8.938 438 H THR 65 HN THR 65 -8.352 8.545 -8.359 439 HA THR 65 HA THR 65 -10.139 10.355 -6.992 440 HB THR 65 HB THR 65 -11.685 9.516 -9.168 441 HG1 THR 65 HG1 THR 65 -9.124 9.974 -9.920 442 1HG2 THR 65 HG21 THR 65 -10.707 12.116 -8.098 443 2HG2 THR 65 HG22 THR 65 -12.350 11.479 -8.176 444 3HG2 THR 65 HG23 THR 65 -11.571 12.089 -9.636 445 H VAL 66 HN VAL 66 -9.792 8.482 -5.532 446 HA VAL 66 HA VAL 66 -10.744 5.913 -6.313 447 HB VAL 66 HB VAL 66 -10.792 5.407 -3.849 448 1HG1 VAL 66 HG11 VAL 66 -8.819 5.085 -5.346 449 2HG1 VAL 66 HG12 VAL 66 -8.194 6.621 -4.738 450 3HG1 VAL 66 HG13 VAL 66 -8.445 5.273 -3.631 451 1HG2 VAL 66 HG21 VAL 66 -9.353 7.304 -2.615 452 2HG2 VAL 66 HG22 VAL 66 -10.299 8.318 -3.706 453 3HG2 VAL 66 HG23 VAL 66 -11.115 7.243 -2.567 454 H GLU 67 HN GLU 67 -12.726 4.987 -6.081 455 HA GLU 67 HA GLU 67 -14.982 6.694 -5.913 456 1HB GLU 67 HB2 GLU 67 -14.488 3.794 -6.287 457 2HB GLU 67 HB3 GLU 67 -16.082 4.261 -5.731 458 1HG GLU 67 HG2 GLU 67 -16.659 4.757 -7.800 459 2HG GLU 67 HG3 GLU 67 -15.364 5.950 -7.888 460 H ASP 68 HN ASP 68 -16.757 6.408 -4.395 461 HA ASP 68 HA ASP 68 -15.925 6.657 -1.735 462 1HB ASP 68 HB2 ASP 68 -18.156 7.382 -2.966 463 2HB ASP 68 HB3 ASP 68 -18.737 5.851 -2.306 464 H LYS 69 HN LYS 69 -17.002 3.888 -3.591 465 HA LYS 69 HA LYS 69 -17.381 2.145 -1.370 466 1HB LYS 69 HB2 LYS 69 -17.199 0.310 -3.082 467 2HB LYS 69 HB3 LYS 69 -18.437 1.512 -3.396 468 1HG LYS 69 HG2 LYS 69 -16.148 2.416 -4.729 469 2HG LYS 69 HG3 LYS 69 -16.253 0.686 -5.042 470 1HD LYS 69 HD2 LYS 69 -18.827 1.399 -5.364 471 2HD LYS 69 HD3 LYS 69 -18.023 2.881 -5.883 472 1HE LYS 69 HE2 LYS 69 -16.557 0.843 -7.064 473 2HE LYS 69 HE3 LYS 69 -18.230 0.320 -7.213 474 1HZ LYS 69 HZ1 LYS 69 -18.154 1.599 -9.045 475 2HZ LYS 69 HZ2 LYS 69 -16.847 2.529 -8.488 476 3HZ LYS 69 HZ3 LYS 69 -18.420 2.872 -7.957 477 H TYR 70 HN TYR 70 -14.633 3.199 -3.208 478 HA TYR 70 HA TYR 70 -12.856 1.154 -2.242 479 1HB TYR 70 HB2 TYR 70 -12.318 3.826 -3.568 480 2HB TYR 70 HB3 TYR 70 -11.040 2.749 -3.032 481 HD1 TYR 70 HD1 TYR 70 -10.012 1.733 -4.806 482 HD2 TYR 70 HD2 TYR 70 -14.227 2.238 -4.905 483 HE1 TYR 70 HE1 TYR 70 -10.094 0.525 -6.942 484 HE2 TYR 70 HE2 TYR 70 -14.333 1.029 -7.042 485 HH TYR 70 HH TYR 70 -11.563 -0.637 -8.356 486 H ARG 71 HN ARG 71 -13.888 4.334 -1.297 487 HA ARG 71 HA ARG 71 -11.944 4.890 0.662 488 1HB ARG 71 HB2 ARG 71 -14.799 5.828 0.378 489 2HB ARG 71 HB3 ARG 71 -13.637 6.519 1.497 490 1HG ARG 71 HG2 ARG 71 -12.271 6.669 -0.848 491 2HG ARG 71 HG3 ARG 71 -13.937 6.923 -1.380 492 1HD ARG 71 HD2 ARG 71 -12.869 8.379 1.000 493 2HD ARG 71 HD3 ARG 71 -12.495 8.949 -0.629 494 HE ARG 71 HE ARG 71 -15.301 8.474 -0.222 495 1HH1 ARG 71 HH12 ARG 71 -12.716 10.789 0.270 496 2HH1 ARG 71 HH11 ARG 71 -13.767 12.166 0.252 497 1HH2 ARG 71 HH22 ARG 71 -16.695 10.281 -0.247 498 2HH2 ARG 71 HH21 ARG 71 -16.041 11.882 -0.069 499 H ARG 72 HN ARG 72 -14.880 3.012 0.714 500 HA ARG 72 HA ARG 72 -15.254 2.826 3.483 501 1HB ARG 72 HB2 ARG 72 -16.143 1.341 1.117 502 2HB ARG 72 HB3 ARG 72 -16.253 0.496 2.653 503 1HG ARG 72 HG2 ARG 72 -17.946 1.744 3.356 504 2HG ARG 72 HG3 ARG 72 -17.249 3.238 2.724 505 1HD ARG 72 HD2 ARG 72 -17.877 1.788 0.478 506 2HD ARG 72 HD3 ARG 72 -19.237 1.470 1.558 507 HE ARG 72 HE ARG 72 -18.494 4.029 0.376 508 1HH1 ARG 72 HH12 ARG 72 -20.486 2.346 2.721 509 2HH1 ARG 72 HH11 ARG 72 -21.649 3.638 2.836 510 1HH2 ARG 72 HH22 ARG 72 -20.035 5.707 0.492 511 2HH2 ARG 72 HH21 ARG 72 -21.397 5.537 1.562 512 H ARG 73 HN ARG 73 -13.973 0.259 1.350 513 HA ARG 73 HA ARG 73 -12.871 -1.161 3.554 514 1HB ARG 73 HB2 ARG 73 -12.453 -2.822 2.077 515 2HB ARG 73 HB3 ARG 73 -13.555 -1.892 1.074 516 1HG ARG 73 HG2 ARG 73 -10.578 -1.546 0.956 517 2HG ARG 73 HG3 ARG 73 -11.448 -2.734 -0.017 518 1HD ARG 73 HD2 ARG 73 -12.032 0.221 0.010 519 2HD ARG 73 HD3 ARG 73 -11.023 -0.586 -1.195 520 HE ARG 73 HE ARG 73 -13.923 -1.040 -0.811 521 1HH1 ARG 73 HH12 ARG 73 -11.064 -1.155 -2.851 522 2HH1 ARG 73 HH11 ARG 73 -11.960 -1.562 -4.283 523 1HH2 ARG 73 HH22 ARG 73 -15.072 -1.553 -2.672 524 2HH2 ARG 73 HH21 ARG 73 -14.243 -1.771 -4.184 525 H PHE 74 HN PHE 74 -11.940 1.649 2.182 526 HA PHE 74 HA PHE 74 -9.096 1.369 2.050 527 1HB PHE 74 HB2 PHE 74 -10.977 3.397 1.533 528 2HB PHE 74 HB3 PHE 74 -9.907 4.035 2.777 529 HD1 PHE 74 HD1 PHE 74 -10.234 4.909 -0.172 530 HD2 PHE 74 HD2 PHE 74 -7.469 2.373 1.837 531 HE1 PHE 74 HE1 PHE 74 -8.543 5.397 -1.895 532 HE2 PHE 74 HE2 PHE 74 -5.778 2.860 0.123 533 HZ PHE 74 HZ PHE 74 -6.305 4.376 -1.733 534 H LYS 75 HN LYS 75 -11.346 2.321 4.578 535 HA LYS 75 HA LYS 75 -9.437 3.207 6.439 536 1HB LYS 75 HB2 LYS 75 -11.209 2.984 8.109 537 2HB LYS 75 HB3 LYS 75 -11.807 3.755 6.648 538 1HG LYS 75 HG2 LYS 75 -12.799 1.643 5.937 539 2HG LYS 75 HG3 LYS 75 -12.192 0.868 7.403 540 1HD LYS 75 HD2 LYS 75 -13.930 1.604 8.591 541 2HD LYS 75 HD3 LYS 75 -13.649 3.267 8.063 542 1HE LYS 75 HE2 LYS 75 -14.823 2.702 5.937 543 2HE LYS 75 HE3 LYS 75 -15.226 1.132 6.633 544 1HZ LYS 75 HZ1 LYS 75 -15.927 3.596 8.078 545 2HZ LYS 75 HZ2 LYS 75 -16.675 2.070 8.121 546 3HZ LYS 75 HZ3 LYS 75 -16.887 3.082 6.777 547 H TYR 76 HN TYR 76 -10.417 0.015 5.510 548 HA TYR 76 HA TYR 76 -9.411 -1.253 7.893 549 1HB TYR 76 HB2 TYR 76 -9.948 -2.564 5.226 550 2HB TYR 76 HB3 TYR 76 -9.888 -3.329 6.806 551 HD1 TYR 76 HD1 TYR 76 -12.075 -2.816 4.402 552 HD2 TYR 76 HD2 TYR 76 -11.588 -1.652 8.463 553 HE1 TYR 76 HE1 TYR 76 -14.504 -2.540 4.605 554 HE2 TYR 76 HE2 TYR 76 -14.027 -1.367 8.681 555 HH TYR 76 HH TYR 76 -16.162 -2.570 7.181 556 H PHE 77 HN PHE 77 -8.046 0.160 5.211 557 HA PHE 77 HA PHE 77 -5.626 -1.501 5.253 558 1HB PHE 77 HB2 PHE 77 -7.024 0.118 3.285 559 2HB PHE 77 HB3 PHE 77 -5.320 0.547 3.385 560 HD1 PHE 77 HD1 PHE 77 -6.926 -0.775 1.060 561 HD2 PHE 77 HD2 PHE 77 -4.418 -2.276 4.145 562 HE1 PHE 77 HE1 PHE 77 -6.382 -2.727 -0.338 563 HE2 PHE 77 HE2 PHE 77 -3.873 -4.223 2.762 564 HZ PHE 77 HZ PHE 77 -4.835 -4.328 0.353 565 H LYS 78 HN LYS 78 -6.931 1.440 6.353 566 HA LYS 78 HA LYS 78 -4.747 3.155 6.369 567 1HB LYS 78 HB2 LYS 78 -7.374 3.229 7.288 568 2HB LYS 78 HB3 LYS 78 -6.394 3.508 8.721 569 1HG LYS 78 HG2 LYS 78 -6.370 5.638 8.087 570 2HG LYS 78 HG3 LYS 78 -5.214 5.137 6.855 571 1HD LYS 78 HD2 LYS 78 -6.728 5.294 5.175 572 2HD LYS 78 HD3 LYS 78 -8.066 4.752 6.190 573 1HE LYS 78 HE2 LYS 78 -6.805 7.493 6.237 574 2HE LYS 78 HE3 LYS 78 -8.346 7.080 5.494 575 1HZ LYS 78 HZ1 LYS 78 -7.690 7.481 8.288 576 2HZ LYS 78 HZ2 LYS 78 -8.690 6.153 7.981 577 3HZ LYS 78 HZ3 LYS 78 -9.160 7.706 7.470 578 H ALA 79 HN ALA 79 -5.510 0.518 8.514 579 HA ALA 79 HA ALA 79 -3.817 1.224 10.648 580 1HB ALA 79 HB1 ALA 79 -3.873 -1.352 10.989 581 2HB ALA 79 HB2 ALA 79 -5.352 -0.409 11.189 582 3HB ALA 79 HB3 ALA 79 -5.075 -1.306 9.700 583 H THR 80 HN THR 80 -3.286 -0.439 7.609 584 HA THR 80 HA THR 80 -0.571 -1.139 8.310 585 HB THR 80 HB THR 80 -1.310 -1.428 5.515 586 HG1 THR 80 HG1 THR 80 -2.881 -2.900 7.372 587 1HG2 THR 80 HG21 THR 80 -1.021 -3.788 7.244 588 2HG2 THR 80 HG22 THR 80 0.349 -2.676 7.278 589 3HG2 THR 80 HG23 THR 80 -0.188 -3.374 5.749 590 H ILE 81 HN ILE 81 -2.243 1.054 6.091 591 HA ILE 81 HA ILE 81 0.000 2.066 4.756 592 HB ILE 81 HB ILE 81 -2.552 3.562 5.378 593 1HG1 ILE 81 HG12 ILE 81 -1.915 1.992 2.882 594 2HG1 ILE 81 HG13 ILE 81 -2.818 1.320 4.234 595 1HG2 ILE 81 HG21 ILE 81 -1.290 5.226 4.524 596 2HG2 ILE 81 HG22 ILE 81 -0.228 4.129 3.639 597 3HG2 ILE 81 HG23 ILE 81 -1.830 4.510 3.003 598 1HD1 ILE 81 HD11 ILE 81 -4.364 2.075 2.583 599 2HD1 ILE 81 HD12 ILE 81 -4.470 3.135 3.988 600 3HD1 ILE 81 HD13 ILE 81 -3.609 3.668 2.541 601 H ALA 82 HN ALA 82 -1.512 3.046 7.798 602 HA ALA 82 HA ALA 82 0.014 5.395 8.189 603 1HB ALA 82 HB1 ALA 82 -1.428 5.608 9.843 604 2HB ALA 82 HB2 ALA 82 -1.974 3.947 9.605 605 3HB ALA 82 HB3 ALA 82 -0.635 4.288 10.702 606 H ASP 83 HN ASP 83 0.484 2.045 9.264 607 HA ASP 83 HA ASP 83 2.810 2.512 10.795 608 1HB ASP 83 HB2 ASP 83 1.708 0.467 11.203 609 2HB ASP 83 HB3 ASP 83 1.620 0.069 9.492 610 H LEU 84 HN LEU 84 2.337 1.513 7.422 611 HA LEU 84 HA LEU 84 5.100 1.278 6.841 612 1HB LEU 84 HB2 LEU 84 2.603 1.466 5.203 613 2HB LEU 84 HB3 LEU 84 4.164 1.592 4.419 614 HG LEU 84 HG LEU 84 3.711 -0.729 6.227 615 1HD1 LEU 84 HD11 LEU 84 2.152 -0.156 3.806 616 2HD1 LEU 84 HD12 LEU 84 2.917 -1.745 3.844 617 3HD1 LEU 84 HD13 LEU 84 1.820 -1.259 5.140 618 1HD2 LEU 84 HD21 LEU 84 5.887 -0.376 5.182 619 2HD2 LEU 84 HD22 LEU 84 5.117 -1.840 4.568 620 3HD2 LEU 84 HD23 LEU 84 5.127 -0.377 3.588 621 H SER 85 HN SER 85 2.837 3.983 6.703 622 HA SER 85 HA SER 85 4.597 5.693 5.235 623 1HB SER 85 HB2 SER 85 2.037 5.863 5.536 624 2HB SER 85 HB3 SER 85 2.418 6.687 7.044 625 HG SER 85 HG SER 85 2.443 7.645 4.535 626 H LYS 86 HN LYS 86 4.205 4.784 8.528 627 HA LYS 86 HA LYS 86 5.650 6.996 9.639 628 1HB LYS 86 HB2 LYS 86 4.276 4.619 10.652 629 2HB LYS 86 HB3 LYS 86 5.759 4.983 11.526 630 1HG LYS 86 HG2 LYS 86 4.975 7.230 11.970 631 2HG LYS 86 HG3 LYS 86 3.502 6.910 11.052 632 1HD LYS 86 HD2 LYS 86 3.959 4.900 13.092 633 2HD LYS 86 HD3 LYS 86 3.880 6.527 13.773 634 1HE LYS 86 HE2 LYS 86 1.787 6.722 12.188 635 2HE LYS 86 HE3 LYS 86 1.796 4.965 12.323 636 1HZ LYS 86 HZ1 LYS 86 0.605 5.334 14.147 637 2HZ LYS 86 HZ2 LYS 86 1.070 6.962 14.277 638 3HZ LYS 86 HZ3 LYS 86 2.077 5.734 14.881 639 H LYS 87 HN LYS 87 6.372 3.537 9.221 640 HA LYS 87 HA LYS 87 9.062 3.708 10.035 641 1HB LYS 87 HB2 LYS 87 7.864 1.636 8.203 642 2HB LYS 87 HB3 LYS 87 9.296 1.461 9.210 643 1HG LYS 87 HG2 LYS 87 7.097 2.238 10.849 644 2HG LYS 87 HG3 LYS 87 6.627 0.863 9.849 645 1HD LYS 87 HD2 LYS 87 7.680 -0.444 11.314 646 2HD LYS 87 HD3 LYS 87 9.190 0.248 10.717 647 1HE LYS 87 HE2 LYS 87 8.511 2.172 12.423 648 2HE LYS 87 HE3 LYS 87 7.687 0.823 13.204 649 1HZ LYS 87 HZ1 LYS 87 10.577 1.089 12.603 650 2HZ LYS 87 HZ2 LYS 87 9.866 -0.387 13.048 651 3HZ LYS 87 HZ3 LYS 87 9.841 0.923 14.121 652 H ARG 88 HN ARG 88 7.628 4.465 6.961 653 HA ARG 88 HA ARG 88 10.040 4.118 5.440 654 1HB ARG 88 HB2 ARG 88 8.856 5.051 3.589 655 2HB ARG 88 HB3 ARG 88 7.744 3.996 4.449 656 1HG ARG 88 HG2 ARG 88 6.316 5.637 4.785 657 2HG ARG 88 HG3 ARG 88 7.575 6.675 5.457 658 1HD ARG 88 HD2 ARG 88 8.254 7.267 3.144 659 2HD ARG 88 HD3 ARG 88 6.909 6.305 2.534 660 HE ARG 88 HE ARG 88 6.469 8.606 4.320 661 1HH1 ARG 88 HH12 ARG 88 5.859 6.910 1.307 662 2HH1 ARG 88 HH11 ARG 88 4.579 7.977 0.825 663 1HH2 ARG 88 HH22 ARG 88 4.724 9.950 3.720 664 2HH2 ARG 88 HH21 ARG 88 3.909 9.682 2.205 665 H SER 89 HN SER 89 8.922 6.617 7.519 666 HA SER 89 HA SER 89 11.088 8.325 6.500 667 1HB SER 89 HB2 SER 89 9.001 9.987 7.544 668 2HB SER 89 HB3 SER 89 9.672 9.949 5.914 669 HG SER 89 HG SER 89 7.323 8.900 6.881 670 H SER 90 HN SER 90 8.890 7.758 9.229 671 HA SER 90 HA SER 90 10.618 9.202 11.033 672 1HB SER 90 HB2 SER 90 8.116 7.584 11.592 673 2HB SER 90 HB3 SER 90 8.927 8.663 12.733 674 HG SER 90 HG SER 90 8.436 10.401 11.385 675 H GLU 91 HN GLU 91 12.164 7.295 10.024 676 HA GLU 91 HA GLU 91 12.468 5.429 12.271 677 1HB GLU 91 HB2 GLU 91 11.649 4.379 10.047 678 2HB GLU 91 HB3 GLU 91 13.277 4.697 9.456 679 1HG GLU 91 HG2 GLU 91 13.635 2.609 10.208 680 2HG GLU 91 HG3 GLU 91 13.868 3.450 11.739 Start of MODEL 5 1 H GLU 11 HN GLU 11 14.774 -4.737 -2.136 2 HA GLU 11 HA GLU 11 15.893 -3.773 -0.420 3 1HB GLU 11 HB2 GLU 11 17.972 -4.946 -1.747 4 2HB GLU 11 HB3 GLU 11 18.454 -3.254 -1.728 5 1HG GLU 11 HG2 GLU 11 17.434 -4.293 0.818 6 2HG GLU 11 HG3 GLU 11 18.935 -5.028 0.258 7 H LEU 12 HN LEU 12 16.767 -2.407 -3.563 8 HA LEU 12 HA LEU 12 17.081 0.271 -2.685 9 1HB LEU 12 HB2 LEU 12 16.177 -0.495 -5.450 10 2HB LEU 12 HB3 LEU 12 17.226 0.828 -4.974 11 HG LEU 12 HG LEU 12 18.255 -1.889 -4.411 12 1HD1 LEU 12 HD11 LEU 12 18.852 -2.395 -6.646 13 2HD1 LEU 12 HD12 LEU 12 17.120 -2.071 -6.642 14 3HD1 LEU 12 HD13 LEU 12 18.242 -0.845 -7.233 15 1HD2 LEU 12 HD21 LEU 12 19.654 0.298 -5.877 16 2HD2 LEU 12 HD22 LEU 12 19.342 0.458 -4.148 17 3HD2 LEU 12 HD23 LEU 12 20.298 -0.896 -4.747 18 H ASN 13 HN ASN 13 14.380 -1.654 -3.773 19 HA ASN 13 HA ASN 13 12.615 0.673 -3.636 20 1HB ASN 13 HB2 ASN 13 10.955 -1.211 -4.522 21 2HB ASN 13 HB3 ASN 13 12.023 -0.316 -5.593 22 1HD2 ASN 13 HD21 ASN 13 13.321 -1.403 -6.844 23 2HD2 ASN 13 HD22 ASN 13 13.699 -3.091 -6.696 24 H ASN 14 HN ASN 14 12.408 0.898 -1.392 25 HA ASN 14 HA ASN 14 11.662 -1.291 0.282 26 1HB ASN 14 HB2 ASN 14 12.172 0.212 1.862 27 2HB ASN 14 HB3 ASN 14 12.300 1.468 0.640 28 1HD2 ASN 14 HD21 ASN 14 10.689 0.441 3.379 29 2HD2 ASN 14 HD22 ASN 14 9.350 1.539 3.312 30 H LEU 15 HN LEU 15 10.067 0.834 -1.830 31 HA LEU 15 HA LEU 15 7.428 0.818 -0.950 32 1HB LEU 15 HB2 LEU 15 8.775 1.881 -3.052 33 2HB LEU 15 HB3 LEU 15 7.884 0.603 -3.858 34 HG LEU 15 HG LEU 15 6.237 2.234 -2.059 35 1HD1 LEU 15 HD11 LEU 15 6.867 4.255 -2.741 36 2HD1 LEU 15 HD12 LEU 15 8.082 3.557 -3.816 37 3HD1 LEU 15 HD13 LEU 15 6.429 3.793 -4.383 38 1HD2 LEU 15 HD21 LEU 15 4.878 1.028 -3.393 39 2HD2 LEU 15 HD22 LEU 15 5.132 2.361 -4.522 40 3HD2 LEU 15 HD23 LEU 15 6.091 0.888 -4.666 41 H ARG 16 HN ARG 16 9.346 -1.633 -2.455 42 HA ARG 16 HA ARG 16 7.384 -3.300 -3.530 43 1HB ARG 16 HB2 ARG 16 9.943 -3.472 -3.713 44 2HB ARG 16 HB3 ARG 16 9.876 -4.292 -2.164 45 1HG ARG 16 HG2 ARG 16 9.685 -6.159 -3.342 46 2HG ARG 16 HG3 ARG 16 8.011 -5.664 -3.607 47 1HD ARG 16 HD2 ARG 16 10.164 -4.662 -5.434 48 2HD ARG 16 HD3 ARG 16 9.531 -6.297 -5.637 49 HE ARG 16 HE ARG 16 8.244 -3.848 -6.353 50 1HH1 ARG 16 HH12 ARG 16 7.623 -7.146 -5.277 51 2HH1 ARG 16 HH11 ARG 16 6.025 -7.191 -5.953 52 1HH2 ARG 16 HH22 ARG 16 6.134 -3.903 -7.172 53 2HH2 ARG 16 HH21 ARG 16 5.180 -5.342 -7.020 54 H MET 17 HN MET 17 8.643 -3.006 -0.240 55 HA MET 17 HA MET 17 7.203 -5.244 0.802 56 1HB MET 17 HB2 MET 17 8.807 -3.032 1.949 57 2HB MET 17 HB3 MET 17 7.665 -3.829 3.015 58 1HG MET 17 HG2 MET 17 9.415 -5.175 3.411 59 2HG MET 17 HG3 MET 17 8.825 -5.977 1.955 60 1HE MET 17 HE1 MET 17 10.010 -6.763 0.540 61 2HE MET 17 HE2 MET 17 10.760 -5.698 -0.650 62 3HE MET 17 HE3 MET 17 11.766 -6.649 0.442 63 H THR 18 HN THR 18 6.598 -1.815 0.478 64 HA THR 18 HA THR 18 4.319 -1.580 2.103 65 HB THR 18 HB THR 18 4.617 -0.066 -0.468 66 HG1 THR 18 HG1 THR 18 6.076 0.726 1.806 67 1HG2 THR 18 HG21 THR 18 4.151 1.377 2.038 68 2HG2 THR 18 HG22 THR 18 2.896 0.203 1.642 69 3HG2 THR 18 HG23 THR 18 3.306 1.480 0.493 70 H TYR 19 HN TYR 19 4.654 -2.126 -1.369 71 HA TYR 19 HA TYR 19 1.913 -2.497 -1.940 72 1HB TYR 19 HB2 TYR 19 3.445 -1.917 -3.706 73 2HB TYR 19 HB3 TYR 19 4.442 -3.325 -3.389 74 HD1 TYR 19 HD1 TYR 19 1.266 -2.158 -4.854 75 HD2 TYR 19 HD2 TYR 19 3.914 -5.442 -4.327 76 HE1 TYR 19 HE1 TYR 19 0.080 -3.394 -6.614 77 HE2 TYR 19 HE2 TYR 19 2.735 -6.697 -6.083 78 HH TYR 19 HH TYR 19 0.012 -5.249 -7.864 79 H GLU 20 HN GLU 20 4.506 -4.744 -1.057 80 HA GLU 20 HA GLU 20 3.044 -7.101 -1.543 81 1HB GLU 20 HB2 GLU 20 5.269 -7.543 -1.456 82 2HB GLU 20 HB3 GLU 20 5.561 -6.384 -0.169 83 1HG GLU 20 HG2 GLU 20 4.868 -7.856 1.473 84 2HG GLU 20 HG3 GLU 20 4.088 -8.936 0.327 85 H ARG 21 HN ARG 21 3.528 -5.195 1.431 86 HA ARG 21 HA ARG 21 2.091 -6.945 3.132 87 1HB ARG 21 HB2 ARG 21 3.644 -4.969 3.749 88 2HB ARG 21 HB3 ARG 21 2.223 -3.959 3.532 89 1HG ARG 21 HG2 ARG 21 2.077 -4.336 5.761 90 2HG ARG 21 HG3 ARG 21 1.148 -5.717 5.176 91 1HD ARG 21 HD2 ARG 21 3.875 -6.472 5.218 92 2HD ARG 21 HD3 ARG 21 3.522 -5.686 6.755 93 HE ARG 21 HE ARG 21 2.279 -8.147 5.719 94 1HH1 ARG 21 HH12 ARG 21 2.665 -5.805 8.297 95 2HH1 ARG 21 HH11 ARG 21 1.929 -6.811 9.500 96 1HH2 ARG 21 HH22 ARG 21 1.270 -9.472 7.294 97 2HH2 ARG 21 HH21 ARG 21 1.122 -8.897 8.938 98 H LEU 22 HN LEU 22 1.100 -4.393 0.947 99 HA LEU 22 HA LEU 22 -1.611 -4.214 1.881 100 1HB LEU 22 HB2 LEU 22 -0.098 -3.300 -0.543 101 2HB LEU 22 HB3 LEU 22 -1.847 -3.237 -0.553 102 HG LEU 22 HG LEU 22 -0.427 -1.979 1.734 103 1HD1 LEU 22 HD11 LEU 22 -0.518 0.140 0.178 104 2HD1 LEU 22 HD12 LEU 22 0.890 -0.927 0.179 105 3HD1 LEU 22 HD13 LEU 22 -0.313 -1.063 -1.096 106 1HD2 LEU 22 HD21 LEU 22 -3.030 -1.991 0.469 107 2HD2 LEU 22 HD22 LEU 22 -2.565 -1.496 2.101 108 3HD2 LEU 22 HD23 LEU 22 -2.428 -0.356 0.763 109 H ARG 23 HN ARG 23 0.118 -6.071 -0.547 110 HA ARG 23 HA ARG 23 -2.187 -7.225 -1.757 111 1HB ARG 23 HB2 ARG 23 -0.240 -7.288 -3.078 112 2HB ARG 23 HB3 ARG 23 0.759 -7.840 -1.743 113 1HG ARG 23 HG2 ARG 23 -0.444 -10.029 -1.853 114 2HG ARG 23 HG3 ARG 23 -1.230 -9.447 -3.322 115 1HD ARG 23 HD2 ARG 23 0.522 -10.429 -4.332 116 2HD ARG 23 HD3 ARG 23 1.330 -8.916 -3.934 117 HE ARG 23 HE ARG 23 1.587 -10.773 -1.804 118 1HH1 ARG 23 HH12 ARG 23 2.816 -10.049 -4.996 119 2HH1 ARG 23 HH11 ARG 23 4.332 -10.854 -4.735 120 1HH2 ARG 23 HH22 ARG 23 3.588 -11.809 -1.448 121 2HH2 ARG 23 HH21 ARG 23 4.776 -11.851 -2.715 122 H GLU 24 HN GLU 24 -0.049 -8.077 0.877 123 HA GLU 24 HA GLU 24 -1.093 -10.682 1.364 124 1HB GLU 24 HB2 GLU 24 1.136 -10.045 2.094 125 2HB GLU 24 HB3 GLU 24 0.479 -8.766 3.102 126 1HG GLU 24 HG2 GLU 24 -0.790 -10.745 4.249 127 2HG GLU 24 HG3 GLU 24 0.519 -11.702 3.549 128 H LEU 25 HN LEU 25 -1.808 -7.458 2.581 129 HA LEU 25 HA LEU 25 -3.642 -8.368 4.598 130 1HB LEU 25 HB2 LEU 25 -2.323 -5.996 4.047 131 2HB LEU 25 HB3 LEU 25 -3.982 -5.629 3.613 132 HG LEU 25 HG LEU 25 -2.759 -5.889 6.228 133 1HD1 LEU 25 HD11 LEU 25 -5.356 -4.733 5.273 134 2HD1 LEU 25 HD12 LEU 25 -4.695 -4.541 6.895 135 3HD1 LEU 25 HD13 LEU 25 -3.834 -3.869 5.504 136 1HD2 LEU 25 HD21 LEU 25 -3.823 -8.014 6.376 137 2HD2 LEU 25 HD22 LEU 25 -4.780 -6.863 7.314 138 3HD2 LEU 25 HD23 LEU 25 -5.324 -7.366 5.714 139 H SER 26 HN SER 26 -3.822 -7.215 1.287 140 HA SER 26 HA SER 26 -6.620 -6.958 1.071 141 1HB SER 26 HB2 SER 26 -4.301 -6.866 -0.676 142 2HB SER 26 HB3 SER 26 -5.655 -7.667 -1.457 143 HG SER 26 HG SER 26 -5.533 -5.058 -0.394 144 H LEU 27 HN LEU 27 -4.436 -9.681 0.820 145 HA LEU 27 HA LEU 27 -6.419 -11.451 -0.282 146 1HB LEU 27 HB2 LEU 27 -3.590 -11.533 0.358 147 2HB LEU 27 HB3 LEU 27 -4.410 -12.987 0.897 148 HG LEU 27 HG LEU 27 -5.069 -13.560 -1.301 149 1HD1 LEU 27 HD11 LEU 27 -3.935 -11.371 -2.806 150 2HD1 LEU 27 HD12 LEU 27 -5.547 -12.081 -2.894 151 3HD1 LEU 27 HD13 LEU 27 -5.207 -10.814 -1.718 152 1HD2 LEU 27 HD21 LEU 27 -2.439 -13.327 -0.592 153 2HD2 LEU 27 HD22 LEU 27 -3.044 -14.193 -2.003 154 3HD2 LEU 27 HD23 LEU 27 -2.484 -12.529 -2.163 155 H ASN 28 HN ASN 28 -5.199 -10.583 2.878 156 HA ASN 28 HA ASN 28 -6.462 -12.729 4.279 157 1HB ASN 28 HB2 ASN 28 -4.480 -11.072 4.971 158 2HB ASN 28 HB3 ASN 28 -5.822 -10.209 5.724 159 1HD2 ASN 28 HD21 ASN 28 -3.815 -13.006 5.809 160 2HD2 ASN 28 HD22 ASN 28 -4.420 -13.656 7.298 161 H LEU 29 HN LEU 29 -7.170 -9.213 4.266 162 HA LEU 29 HA LEU 29 -9.625 -9.452 5.621 163 1HB LEU 29 HB2 LEU 29 -8.747 -7.319 3.671 164 2HB LEU 29 HB3 LEU 29 -10.099 -7.184 4.782 165 HG LEU 29 HG LEU 29 -7.380 -7.728 5.893 166 1HD1 LEU 29 HD11 LEU 29 -6.607 -5.950 4.757 167 2HD1 LEU 29 HD12 LEU 29 -8.213 -5.264 4.506 168 3HD1 LEU 29 HD13 LEU 29 -7.407 -5.072 6.062 169 1HD2 LEU 29 HD21 LEU 29 -8.222 -6.790 7.824 170 2HD2 LEU 29 HD22 LEU 29 -9.464 -5.878 6.968 171 3HD2 LEU 29 HD23 LEU 29 -9.627 -7.626 7.161 172 H GLY 30 HN GLY 30 -8.808 -9.588 2.201 173 1HA GLY 30 HA1 GLY 30 -11.445 -9.456 1.203 174 2HA GLY 30 HA2 GLY 30 -10.064 -10.138 0.360 175 H ASN 31 HN ASN 31 -9.642 -12.122 2.566 176 HA ASN 31 HA ASN 31 -11.711 -13.990 1.663 177 1HB ASN 31 HB2 ASN 31 -9.766 -15.110 1.260 178 2HB ASN 31 HB3 ASN 31 -8.865 -14.184 2.450 179 1HD2 ASN 31 HD21 ASN 31 -10.808 -16.988 1.867 180 2HD2 ASN 31 HD22 ASN 31 -10.465 -17.783 3.369 181 H ARG 32 HN ARG 32 -10.845 -12.111 4.338 182 HA ARG 32 HA ARG 32 -12.083 -13.855 6.301 183 1HB ARG 32 HB2 ARG 32 -10.007 -12.329 6.637 184 2HB ARG 32 HB3 ARG 32 -11.183 -11.039 6.830 185 1HG ARG 32 HG2 ARG 32 -12.135 -12.089 8.735 186 2HG ARG 32 HG3 ARG 32 -11.191 -13.557 8.475 187 1HD ARG 32 HD2 ARG 32 -9.194 -11.795 8.618 188 2HD ARG 32 HD3 ARG 32 -10.376 -10.941 9.608 189 HE ARG 32 HE ARG 32 -10.394 -13.506 10.570 190 1HH1 ARG 32 HH12 ARG 32 -7.963 -10.998 10.181 191 2HH1 ARG 32 HH11 ARG 32 -6.980 -11.559 11.497 192 1HH2 ARG 32 HH22 ARG 32 -9.159 -14.220 12.310 193 2HH2 ARG 32 HH21 ARG 32 -7.678 -13.405 12.730 194 H MET 33 HN MET 33 -13.132 -11.693 4.040 195 HA MET 33 HA MET 33 -15.293 -10.571 5.652 196 1HB MET 33 HB2 MET 33 -13.828 -9.562 3.541 197 2HB MET 33 HB3 MET 33 -15.343 -10.026 2.775 198 1HG MET 33 HG2 MET 33 -16.574 -8.681 4.411 199 2HG MET 33 HG3 MET 33 -15.050 -8.200 5.149 200 1HE MET 33 HE1 MET 33 -16.705 -7.367 1.092 201 2HE MET 33 HE2 MET 33 -17.411 -8.233 2.454 202 3HE MET 33 HE3 MET 33 -17.584 -6.479 2.337 203 H VAL 34 HN VAL 34 -17.528 -10.697 4.840 204 HA VAL 34 HA VAL 34 -18.069 -13.203 3.373 205 HB VAL 34 HB VAL 34 -19.623 -12.176 5.765 206 1HG1 VAL 34 HG11 VAL 34 -20.997 -13.305 4.049 207 2HG1 VAL 34 HG12 VAL 34 -19.991 -14.739 4.225 208 3HG1 VAL 34 HG13 VAL 34 -20.954 -14.168 5.587 209 1HG2 VAL 34 HG21 VAL 34 -18.428 -13.503 7.105 210 2HG2 VAL 34 HG22 VAL 34 -18.437 -14.834 5.953 211 3HG2 VAL 34 HG23 VAL 34 -17.238 -13.540 5.804 212 HA PRO 35 HA PRO 35 -18.755 -13.867 1.836 213 1HB PRO 35 HB2 PRO 35 -18.936 -13.614 -0.839 214 2HB PRO 35 HB3 PRO 35 -20.337 -14.046 0.147 215 1HG PRO 35 HG2 PRO 35 -19.592 -11.417 -1.048 216 2HG PRO 35 HG3 PRO 35 -21.192 -12.171 -0.911 217 1HD PRO 35 HD2 PRO 35 -20.214 -10.209 0.772 218 2HD PRO 35 HD3 PRO 35 -21.512 -11.340 1.201 219 HA PRO 36 HA PRO 36 -14.556 -12.720 1.148 220 1HB PRO 36 HB2 PRO 36 -14.526 -14.705 -1.089 221 2HB PRO 36 HB3 PRO 36 -13.424 -14.539 0.285 222 1HG PRO 36 HG2 PRO 36 -15.246 -16.461 0.272 223 2HG PRO 36 HG3 PRO 36 -14.910 -15.556 1.763 224 1HD PRO 36 HD2 PRO 36 -17.213 -15.295 -0.133 225 2HD PRO 36 HD3 PRO 36 -17.201 -15.197 1.637 226 H VAL 37 HN VAL 37 -13.852 -10.980 0.178 227 HA VAL 37 HA VAL 37 -15.097 -9.842 -2.099 228 HB VAL 37 HB VAL 37 -12.384 -8.986 -1.151 229 1HG1 VAL 37 HG11 VAL 37 -12.824 -7.190 -2.376 230 2HG1 VAL 37 HG12 VAL 37 -14.329 -7.947 -2.906 231 3HG1 VAL 37 HG13 VAL 37 -14.316 -6.909 -1.481 232 1HG2 VAL 37 HG21 VAL 37 -13.836 -7.501 0.458 233 2HG2 VAL 37 HG22 VAL 37 -14.934 -8.877 0.377 234 3HG2 VAL 37 HG23 VAL 37 -13.281 -9.102 0.950 235 H GLY 38 HN GLY 38 -11.982 -11.429 -1.581 236 1HA GLY 38 HA1 GLY 38 -10.703 -12.609 -3.119 237 2HA GLY 38 HA2 GLY 38 -11.861 -12.175 -4.376 238 H ASN 39 HN ASN 39 -11.892 -9.757 -4.865 239 HA ASN 39 HA ASN 39 -9.108 -8.871 -5.161 240 1HB ASN 39 HB2 ASN 39 -9.901 -7.493 -7.036 241 2HB ASN 39 HB3 ASN 39 -10.313 -9.185 -7.269 242 1HD2 ASN 39 HD21 ASN 39 -11.448 -6.540 -8.224 243 2HD2 ASN 39 HD22 ASN 39 -13.146 -6.678 -7.923 244 H PHE 40 HN PHE 40 -9.650 -8.404 -2.780 245 HA PHE 40 HA PHE 40 -11.183 -6.501 -1.662 246 1HB PHE 40 HB2 PHE 40 -9.342 -7.889 -0.618 247 2HB PHE 40 HB3 PHE 40 -8.209 -6.671 -1.174 248 HD1 PHE 40 HD1 PHE 40 -7.390 -5.632 0.741 249 HD2 PHE 40 HD2 PHE 40 -11.571 -6.330 0.357 250 HE1 PHE 40 HE1 PHE 40 -7.796 -4.338 2.795 251 HE2 PHE 40 HE2 PHE 40 -11.999 -5.040 2.399 252 HZ PHE 40 HZ PHE 40 -9.984 -4.084 3.678 253 H MET 41 HN MET 41 -7.870 -5.481 -2.396 254 HA MET 41 HA MET 41 -8.943 -2.904 -3.313 255 1HB MET 41 HB2 MET 41 -7.299 -3.203 -1.272 256 2HB MET 41 HB3 MET 41 -6.085 -3.306 -2.536 257 1HG MET 41 HG2 MET 41 -6.530 -1.043 -1.478 258 2HG MET 41 HG3 MET 41 -6.437 -1.135 -3.235 259 1HE MET 41 HE1 MET 41 -9.719 0.461 -0.696 260 2HE MET 41 HE2 MET 41 -8.149 -0.186 -0.222 261 3HE MET 41 HE3 MET 41 -8.240 1.284 -1.196 262 HA PRO 42 HA PRO 42 -7.667 -4.234 -7.367 263 1HB PRO 42 HB2 PRO 42 -7.624 -1.308 -7.909 264 2HB PRO 42 HB3 PRO 42 -8.488 -2.604 -8.746 265 1HG PRO 42 HG2 PRO 42 -9.796 -0.925 -7.144 266 2HG PRO 42 HG3 PRO 42 -10.214 -2.648 -7.205 267 1HD PRO 42 HD2 PRO 42 -8.648 -1.141 -5.149 268 2HD PRO 42 HD3 PRO 42 -9.834 -2.448 -4.934 269 H ASP 43 HN ASP 43 -5.799 -4.422 -8.496 270 HA ASP 43 HA ASP 43 -3.345 -3.990 -7.286 271 1HB ASP 43 HB2 ASP 43 -4.198 -5.272 -9.536 272 2HB ASP 43 HB3 ASP 43 -3.284 -3.937 -10.228 273 H SER 44 HN SER 44 -5.083 -1.938 -9.567 274 HA SER 44 HA SER 44 -3.048 -0.065 -10.069 275 1HB SER 44 HB2 SER 44 -5.576 1.243 -10.127 276 2HB SER 44 HB3 SER 44 -4.653 0.611 -11.493 277 HG SER 44 HG SER 44 -5.992 -1.009 -11.617 278 H ILE 45 HN ILE 45 -5.580 -0.168 -7.596 279 HA ILE 45 HA ILE 45 -4.911 2.354 -6.443 280 HB ILE 45 HB ILE 45 -6.427 0.081 -5.156 281 1HG1 ILE 45 HG12 ILE 45 -7.350 0.833 -7.383 282 2HG1 ILE 45 HG13 ILE 45 -8.450 1.019 -6.022 283 1HG2 ILE 45 HG21 ILE 45 -6.305 1.424 -3.366 284 2HG2 ILE 45 HG22 ILE 45 -5.762 2.801 -4.323 285 3HG2 ILE 45 HG23 ILE 45 -7.485 2.424 -4.214 286 1HD1 ILE 45 HD11 ILE 45 -8.646 3.184 -6.407 287 2HD1 ILE 45 HD12 ILE 45 -6.896 3.403 -6.389 288 3HD1 ILE 45 HD13 ILE 45 -7.710 2.950 -7.882 289 H LEU 46 HN LEU 46 -4.004 -1.000 -5.782 290 HA LEU 46 HA LEU 46 -2.709 -0.527 -3.309 291 1HB LEU 46 HB2 LEU 46 -2.192 -2.657 -5.388 292 2HB LEU 46 HB3 LEU 46 -1.493 -2.658 -3.783 293 HG LEU 46 HG LEU 46 -4.476 -2.689 -4.216 294 1HD1 LEU 46 HD11 LEU 46 -3.572 -4.604 -5.378 295 2HD1 LEU 46 HD12 LEU 46 -2.590 -5.026 -3.977 296 3HD1 LEU 46 HD13 LEU 46 -4.350 -5.126 -3.884 297 1HD2 LEU 46 HD21 LEU 46 -4.435 -2.438 -2.003 298 2HD2 LEU 46 HD22 LEU 46 -3.790 -4.080 -1.922 299 3HD2 LEU 46 HD23 LEU 46 -2.692 -2.697 -1.929 300 H LYS 47 HN LYS 47 -1.620 -0.343 -6.641 301 HA LYS 47 HA LYS 47 1.136 -0.037 -6.087 302 1HB LYS 47 HB2 LYS 47 -0.626 0.466 -8.451 303 2HB LYS 47 HB3 LYS 47 1.019 1.091 -8.462 304 1HG LYS 47 HG2 LYS 47 1.945 -1.086 -8.287 305 2HG LYS 47 HG3 LYS 47 0.370 -1.789 -7.904 306 1HD LYS 47 HD2 LYS 47 -0.156 -2.006 -10.060 307 2HD LYS 47 HD3 LYS 47 0.316 -0.343 -10.412 308 1HE LYS 47 HE2 LYS 47 2.617 -0.994 -10.677 309 2HE LYS 47 HE3 LYS 47 2.264 -2.630 -10.129 310 1HZ LYS 47 HZ1 LYS 47 1.183 -1.391 -12.604 311 2HZ LYS 47 HZ2 LYS 47 0.918 -2.979 -12.074 312 3HZ LYS 47 HZ3 LYS 47 2.476 -2.489 -12.536 313 H LYS 48 HN LYS 48 -1.377 2.415 -6.849 314 HA LYS 48 HA LYS 48 0.438 4.580 -6.530 315 1HB LYS 48 HB2 LYS 48 -1.689 5.966 -6.388 316 2HB LYS 48 HB3 LYS 48 -1.433 5.042 -7.854 317 1HG LYS 48 HG2 LYS 48 -3.045 3.435 -7.240 318 2HG LYS 48 HG3 LYS 48 -3.140 4.051 -5.592 319 1HD LYS 48 HD2 LYS 48 -4.996 5.054 -6.429 320 2HD LYS 48 HD3 LYS 48 -3.812 6.280 -6.892 321 1HE LYS 48 HE2 LYS 48 -3.668 4.612 -9.018 322 2HE LYS 48 HE3 LYS 48 -5.353 4.393 -8.554 323 1HZ LYS 48 HZ1 LYS 48 -5.308 6.142 -10.083 324 2HZ LYS 48 HZ2 LYS 48 -3.996 6.910 -9.326 325 3HZ LYS 48 HZ3 LYS 48 -5.514 6.877 -8.571 326 H MET 49 HN MET 49 -1.874 3.040 -4.346 327 HA MET 49 HA MET 49 -1.614 4.941 -2.273 328 1HB MET 49 HB2 MET 49 -3.249 3.749 -1.348 329 2HB MET 49 HB3 MET 49 -3.169 2.693 -2.746 330 1HG MET 49 HG2 MET 49 -2.272 1.008 -1.580 331 2HG MET 49 HG3 MET 49 -1.228 2.076 -0.646 332 1HE MET 49 HE1 MET 49 -5.605 1.113 0.114 333 2HE MET 49 HE2 MET 49 -4.681 0.924 -1.377 334 3HE MET 49 HE3 MET 49 -4.509 -0.256 -0.077 335 H ALA 50 HN ALA 50 0.310 2.165 -3.176 336 HA ALA 50 HA ALA 50 1.781 2.115 -0.704 337 1HB ALA 50 HB1 ALA 50 3.383 0.706 -2.184 338 2HB ALA 50 HB2 ALA 50 1.801 0.051 -1.759 339 3HB ALA 50 HB3 ALA 50 2.067 0.756 -3.355 340 H ALA 51 HN ALA 51 2.062 3.691 -3.796 341 HA ALA 51 HA ALA 51 4.786 4.525 -3.416 342 1HB ALA 51 HB1 ALA 51 3.225 6.013 -5.386 343 2HB ALA 51 HB2 ALA 51 4.715 5.086 -5.572 344 3HB ALA 51 HB3 ALA 51 3.157 4.263 -5.595 345 H ILE 52 HN ILE 52 1.597 6.053 -3.111 346 HA ILE 52 HA ILE 52 2.803 8.590 -2.366 347 HB ILE 52 HB ILE 52 0.012 7.655 -2.884 348 1HG1 ILE 52 HG12 ILE 52 0.360 10.120 -4.029 349 2HG1 ILE 52 HG13 ILE 52 1.987 9.454 -4.083 350 1HG2 ILE 52 HG21 ILE 52 0.672 10.242 -1.489 351 2HG2 ILE 52 HG22 ILE 52 -0.910 9.785 -2.124 352 3HG2 ILE 52 HG23 ILE 52 -0.202 8.875 -0.793 353 1HD1 ILE 52 HD11 ILE 52 -0.477 8.137 -5.203 354 2HD1 ILE 52 HD12 ILE 52 0.755 8.995 -6.133 355 3HD1 ILE 52 HD13 ILE 52 1.170 7.510 -5.279 356 H LEU 53 HN LEU 53 1.115 5.924 -0.850 357 HA LEU 53 HA LEU 53 0.645 5.399 1.297 358 1HB LEU 53 HB2 LEU 53 3.319 6.662 1.380 359 2HB LEU 53 HB3 LEU 53 2.508 6.433 2.912 360 HG LEU 53 HG LEU 53 2.996 4.210 0.937 361 1HD1 LEU 53 HD11 LEU 53 5.013 3.779 1.841 362 2HD1 LEU 53 HD12 LEU 53 4.979 5.489 2.266 363 3HD1 LEU 53 HD13 LEU 53 4.517 4.273 3.458 364 1HD2 LEU 53 HD21 LEU 53 1.145 3.751 2.398 365 2HD2 LEU 53 HD22 LEU 53 2.533 2.790 2.915 366 3HD2 LEU 53 HD23 LEU 53 2.084 4.241 3.810 367 HA PRO 54 HA PRO 54 -1.232 9.540 2.249 368 1HB PRO 54 HB2 PRO 54 -3.809 8.352 1.746 369 2HB PRO 54 HB3 PRO 54 -3.005 9.652 0.866 370 1HG PRO 54 HG2 PRO 54 -3.474 7.171 -0.190 371 2HG PRO 54 HG3 PRO 54 -2.154 8.226 -0.715 372 1HD PRO 54 HD2 PRO 54 -2.080 5.907 1.180 373 2HD PRO 54 HD3 PRO 54 -0.931 6.351 -0.102 374 H MET 55 HN MET 55 -1.081 9.647 4.408 375 HA MET 55 HA MET 55 -2.085 7.589 6.136 376 1HB MET 55 HB2 MET 55 -0.839 10.285 6.601 377 2HB MET 55 HB3 MET 55 -1.467 9.323 7.933 378 1HG MET 55 HG2 MET 55 0.028 7.457 6.895 379 2HG MET 55 HG3 MET 55 0.874 8.822 6.170 380 1HE MET 55 HE1 MET 55 -1.048 8.200 9.249 381 2HE MET 55 HE2 MET 55 0.184 7.462 10.276 382 3HE MET 55 HE3 MET 55 -0.206 9.175 10.454 383 H ASN 56 HN ASN 56 -3.490 10.409 4.756 384 HA ASN 56 HA ASN 56 -5.849 9.966 6.405 385 1HB ASN 56 HB2 ASN 56 -6.154 12.456 6.658 386 2HB ASN 56 HB3 ASN 56 -4.823 11.768 7.591 387 1HD2 ASN 56 HD21 ASN 56 -2.819 12.514 7.272 388 2HD2 ASN 56 HD22 ASN 56 -2.379 13.702 6.090 389 H ASP 57 HN ASP 57 -7.720 11.394 5.570 390 HA ASP 57 HA ASP 57 -8.318 10.594 2.963 391 1HB ASP 57 HB2 ASP 57 -9.777 11.549 5.023 392 2HB ASP 57 HB3 ASP 57 -9.745 12.979 3.994 393 H SER 58 HN SER 58 -7.086 13.696 4.146 394 HA SER 58 HA SER 58 -7.346 15.107 1.710 395 1HB SER 58 HB2 SER 58 -5.133 16.127 3.188 396 2HB SER 58 HB3 SER 58 -6.770 16.783 3.077 397 HG SER 58 HG SER 58 -5.649 15.076 5.012 398 H ALA 59 HN ALA 59 -4.774 13.159 3.104 399 HA ALA 59 HA ALA 59 -2.807 13.677 1.126 400 1HB ALA 59 HB1 ALA 59 -1.555 12.594 2.607 401 2HB ALA 59 HB2 ALA 59 -3.003 12.169 3.522 402 3HB ALA 59 HB3 ALA 59 -2.414 11.096 2.248 403 H PHE 60 HN PHE 60 -5.548 11.601 1.304 404 HA PHE 60 HA PHE 60 -4.833 9.692 -0.640 405 1HB PHE 60 HB2 PHE 60 -7.326 10.507 0.739 406 2HB PHE 60 HB3 PHE 60 -7.528 9.672 -0.802 407 HD1 PHE 60 HD1 PHE 60 -7.581 9.094 2.530 408 HD2 PHE 60 HD2 PHE 60 -5.619 7.678 -0.962 409 HE1 PHE 60 HE1 PHE 60 -7.160 6.937 3.639 410 HE2 PHE 60 HE2 PHE 60 -5.201 5.532 0.136 411 HZ PHE 60 HZ PHE 60 -5.971 5.151 2.417 412 H ALA 61 HN ALA 61 -5.843 12.968 -0.922 413 HA ALA 61 HA ALA 61 -7.093 13.024 -3.399 414 1HB ALA 61 HB1 ALA 61 -5.242 15.237 -2.899 415 2HB ALA 61 HB2 ALA 61 -6.981 15.255 -3.203 416 3HB ALA 61 HB3 ALA 61 -6.366 14.887 -1.589 417 H THR 62 HN THR 62 -3.698 12.576 -2.690 418 HA THR 62 HA THR 62 -2.777 13.184 -5.336 419 HB THR 62 HB THR 62 -0.892 11.592 -4.099 420 HG1 THR 62 HG1 THR 62 -1.702 11.786 -2.068 421 1HG2 THR 62 HG21 THR 62 -1.082 14.594 -4.174 422 2HG2 THR 62 HG22 THR 62 -0.559 13.582 -5.521 423 3HG2 THR 62 HG23 THR 62 0.395 13.633 -4.040 424 H LEU 63 HN LEU 63 -4.598 10.681 -4.273 425 HA LEU 63 HA LEU 63 -3.317 8.579 -5.840 426 1HB LEU 63 HB2 LEU 63 -5.828 8.723 -4.184 427 2HB LEU 63 HB3 LEU 63 -5.497 7.358 -5.230 428 HG LEU 63 HG LEU 63 -4.143 8.167 -2.690 429 1HD1 LEU 63 HD11 LEU 63 -4.853 6.167 -1.944 430 2HD1 LEU 63 HD12 LEU 63 -6.038 6.343 -3.237 431 3HD1 LEU 63 HD13 LEU 63 -4.588 5.370 -3.492 432 1HD2 LEU 63 HD21 LEU 63 -2.931 6.530 -4.901 433 2HD2 LEU 63 HD22 LEU 63 -2.250 7.941 -4.084 434 3HD2 LEU 63 HD23 LEU 63 -2.426 6.417 -3.211 435 H GLY 64 HN GLY 64 -4.772 11.254 -6.672 436 1HA GLY 64 HA1 GLY 64 -5.608 11.839 -8.773 437 2HA GLY 64 HA2 GLY 64 -5.906 10.129 -9.102 438 H THR 65 HN THR 65 -7.705 9.105 -7.981 439 HA THR 65 HA THR 65 -9.676 10.669 -6.633 440 HB THR 65 HB THR 65 -11.220 9.691 -8.743 441 HG1 THR 65 HG1 THR 65 -8.819 10.317 -9.657 442 1HG2 THR 65 HG21 THR 65 -11.689 11.631 -7.292 443 2HG2 THR 65 HG22 THR 65 -11.895 11.990 -9.005 444 3HG2 THR 65 HG23 THR 65 -10.451 12.544 -8.159 445 H VAL 66 HN VAL 66 -10.217 9.214 -5.115 446 HA VAL 66 HA VAL 66 -10.596 6.433 -5.990 447 HB VAL 66 HB VAL 66 -10.407 5.826 -3.553 448 1HG1 VAL 66 HG11 VAL 66 -7.826 6.484 -3.599 449 2HG1 VAL 66 HG12 VAL 66 -8.512 5.246 -4.647 450 3HG1 VAL 66 HG13 VAL 66 -8.230 6.868 -5.276 451 1HG2 VAL 66 HG21 VAL 66 -10.511 8.592 -3.174 452 2HG2 VAL 66 HG22 VAL 66 -10.184 7.353 -1.957 453 3HG2 VAL 66 HG23 VAL 66 -8.846 8.134 -2.806 454 H GLU 67 HN GLU 67 -12.609 5.881 -6.298 455 HA GLU 67 HA GLU 67 -14.847 7.366 -5.621 456 1HB GLU 67 HB2 GLU 67 -14.343 4.625 -6.626 457 2HB GLU 67 HB3 GLU 67 -15.951 4.997 -6.043 458 1HG GLU 67 HG2 GLU 67 -16.267 6.624 -7.661 459 2HG GLU 67 HG3 GLU 67 -14.558 6.728 -8.041 460 H ASP 68 HN ASP 68 -16.681 6.709 -4.251 461 HA ASP 68 HA ASP 68 -15.963 6.414 -1.561 462 1HB ASP 68 HB2 ASP 68 -18.080 7.194 -1.473 463 2HB ASP 68 HB3 ASP 68 -18.420 6.634 -3.106 464 H LYS 69 HN LYS 69 -16.878 4.043 -3.983 465 HA LYS 69 HA LYS 69 -17.177 1.830 -2.286 466 1HB LYS 69 HB2 LYS 69 -17.036 0.456 -4.243 467 2HB LYS 69 HB3 LYS 69 -17.919 1.917 -4.654 468 1HG LYS 69 HG2 LYS 69 -15.439 2.665 -5.347 469 2HG LYS 69 HG3 LYS 69 -15.333 0.931 -5.642 470 1HD LYS 69 HD2 LYS 69 -17.804 1.741 -6.686 471 2HD LYS 69 HD3 LYS 69 -16.643 2.975 -7.174 472 1HE LYS 69 HE2 LYS 69 -15.211 0.768 -7.706 473 2HE LYS 69 HE3 LYS 69 -16.839 0.133 -7.954 474 1HZ LYS 69 HZ1 LYS 69 -15.401 1.477 -9.796 475 2HZ LYS 69 HZ2 LYS 69 -16.379 2.711 -9.162 476 3HZ LYS 69 HZ3 LYS 69 -17.089 1.317 -9.821 477 H TYR 70 HN TYR 70 -14.368 3.460 -3.458 478 HA TYR 70 HA TYR 70 -12.567 1.283 -2.783 479 1HB TYR 70 HB2 TYR 70 -12.092 4.099 -3.768 480 2HB TYR 70 HB3 TYR 70 -10.800 2.955 -3.425 481 HD1 TYR 70 HD1 TYR 70 -12.662 4.340 -5.979 482 HD2 TYR 70 HD2 TYR 70 -11.253 0.565 -4.617 483 HE1 TYR 70 HE1 TYR 70 -12.816 3.460 -8.264 484 HE2 TYR 70 HE2 TYR 70 -11.404 -0.324 -6.903 485 HH TYR 70 HH TYR 70 -12.715 1.657 -9.540 486 H ARG 71 HN ARG 71 -13.661 4.353 -1.466 487 HA ARG 71 HA ARG 71 -11.693 4.658 0.527 488 1HB ARG 71 HB2 ARG 71 -14.542 5.677 0.494 489 2HB ARG 71 HB3 ARG 71 -13.305 6.168 1.642 490 1HG ARG 71 HG2 ARG 71 -12.843 6.474 -1.286 491 2HG ARG 71 HG3 ARG 71 -13.780 7.672 -0.385 492 1HD ARG 71 HD2 ARG 71 -11.380 7.000 1.040 493 2HD ARG 71 HD3 ARG 71 -10.971 7.472 -0.606 494 HE ARG 71 HE ARG 71 -11.636 9.201 1.491 495 1HH1 ARG 71 HH12 ARG 71 -12.517 8.793 -1.907 496 2HH1 ARG 71 HH11 ARG 71 -12.894 10.473 -2.121 497 1HH2 ARG 71 HH22 ARG 71 -12.157 11.390 1.184 498 2HH2 ARG 71 HH21 ARG 71 -12.734 11.924 -0.370 499 H ARG 72 HN ARG 72 -14.703 2.825 0.459 500 HA ARG 72 HA ARG 72 -14.942 2.327 3.205 501 1HB ARG 72 HB2 ARG 72 -15.624 0.346 1.049 502 2HB ARG 72 HB3 ARG 72 -16.283 0.405 2.678 503 1HG ARG 72 HG2 ARG 72 -17.776 1.981 2.149 504 2HG ARG 72 HG3 ARG 72 -16.657 2.840 1.083 505 1HD ARG 72 HD2 ARG 72 -16.931 1.077 -0.589 506 2HD ARG 72 HD3 ARG 72 -18.111 0.282 0.449 507 HE ARG 72 HE ARG 72 -18.621 3.043 -0.422 508 1HH1 ARG 72 HH12 ARG 72 -19.399 -0.373 -0.661 509 2HH1 ARG 72 HH11 ARG 72 -21.002 -0.096 -1.280 510 1HH2 ARG 72 HH22 ARG 72 -20.709 3.409 -1.266 511 2HH2 ARG 72 HH21 ARG 72 -21.754 2.056 -1.608 512 H ARG 73 HN ARG 73 -13.062 0.644 0.718 513 HA ARG 73 HA ARG 73 -12.159 -1.334 2.612 514 1HB ARG 73 HB2 ARG 73 -11.438 -0.738 -0.250 515 2HB ARG 73 HB3 ARG 73 -10.555 -1.921 0.703 516 1HG ARG 73 HG2 ARG 73 -12.072 -3.255 -0.362 517 2HG ARG 73 HG3 ARG 73 -12.914 -2.924 1.153 518 1HD ARG 73 HD2 ARG 73 -14.169 -1.125 0.063 519 2HD ARG 73 HD3 ARG 73 -13.332 -1.473 -1.458 520 HE ARG 73 HE ARG 73 -15.445 -3.048 -0.209 521 1HH1 ARG 73 HH12 ARG 73 -12.953 -2.887 -2.672 522 2HH1 ARG 73 HH11 ARG 73 -13.697 -4.077 -3.689 523 1HH2 ARG 73 HH22 ARG 73 -16.423 -4.611 -1.550 524 2HH2 ARG 73 HH21 ARG 73 -15.676 -5.047 -3.055 525 H PHE 74 HN PHE 74 -11.422 1.817 2.013 526 HA PHE 74 HA PHE 74 -8.575 1.689 2.413 527 1HB PHE 74 HB2 PHE 74 -10.590 3.787 1.961 528 2HB PHE 74 HB3 PHE 74 -9.237 4.268 2.984 529 HD1 PHE 74 HD1 PHE 74 -10.117 5.056 0.080 530 HD2 PHE 74 HD2 PHE 74 -7.104 2.524 1.689 531 HE1 PHE 74 HE1 PHE 74 -8.768 5.410 -1.928 532 HE2 PHE 74 HE2 PHE 74 -5.732 2.878 -0.336 533 HZ PHE 74 HZ PHE 74 -6.456 4.247 -2.073 534 H LYS 75 HN LYS 75 -11.403 2.118 4.420 535 HA LYS 75 HA LYS 75 -10.080 2.973 6.764 536 1HB LYS 75 HB2 LYS 75 -12.100 2.560 7.909 537 2HB LYS 75 HB3 LYS 75 -12.581 3.039 6.286 538 1HG LYS 75 HG2 LYS 75 -12.899 0.661 5.712 539 2HG LYS 75 HG3 LYS 75 -12.502 0.240 7.388 540 1HD LYS 75 HD2 LYS 75 -14.418 2.176 7.692 541 2HD LYS 75 HD3 LYS 75 -14.974 1.305 6.258 542 1HE LYS 75 HE2 LYS 75 -14.727 -0.815 7.521 543 2HE LYS 75 HE3 LYS 75 -14.323 0.127 8.957 544 1HZ LYS 75 HZ1 LYS 75 -16.890 0.226 7.458 545 2HZ LYS 75 HZ2 LYS 75 -16.508 1.183 8.805 546 3HZ LYS 75 HZ3 LYS 75 -16.638 -0.501 8.970 547 H TYR 76 HN TYR 76 -10.315 -0.087 5.196 548 HA TYR 76 HA TYR 76 -9.550 -1.602 7.555 549 1HB TYR 76 HB2 TYR 76 -9.726 -2.539 4.682 550 2HB TYR 76 HB3 TYR 76 -9.591 -3.551 6.107 551 HD1 TYR 76 HD1 TYR 76 -11.761 -2.457 3.692 552 HD2 TYR 76 HD2 TYR 76 -11.604 -3.026 7.903 553 HE1 TYR 76 HE1 TYR 76 -14.214 -2.603 3.752 554 HE2 TYR 76 HE2 TYR 76 -14.062 -3.173 7.976 555 HH TYR 76 HH TYR 76 -16.004 -3.254 5.056 556 H PHE 77 HN PHE 77 -7.971 0.292 5.295 557 HA PHE 77 HA PHE 77 -5.475 -1.268 5.489 558 1HB PHE 77 HB2 PHE 77 -6.668 0.437 3.371 559 2HB PHE 77 HB3 PHE 77 -4.922 0.518 3.553 560 HD1 PHE 77 HD1 PHE 77 -7.170 -0.800 1.510 561 HD2 PHE 77 HD2 PHE 77 -4.128 -2.172 4.146 562 HE1 PHE 77 HE1 PHE 77 -6.943 -2.852 0.173 563 HE2 PHE 77 HE2 PHE 77 -3.900 -4.225 2.817 564 HZ PHE 77 HZ PHE 77 -5.322 -4.565 0.817 565 H LYS 78 HN LYS 78 -6.987 1.643 6.460 566 HA LYS 78 HA LYS 78 -4.974 3.506 6.468 567 1HB LYS 78 HB2 LYS 78 -7.287 3.024 8.297 568 2HB LYS 78 HB3 LYS 78 -6.139 4.305 8.665 569 1HG LYS 78 HG2 LYS 78 -7.026 4.353 5.890 570 2HG LYS 78 HG3 LYS 78 -8.351 4.525 7.046 571 1HD LYS 78 HD2 LYS 78 -6.114 6.136 7.863 572 2HD LYS 78 HD3 LYS 78 -6.548 6.501 6.187 573 1HE LYS 78 HE2 LYS 78 -8.142 7.803 7.028 574 2HE LYS 78 HE3 LYS 78 -8.975 6.321 7.488 575 1HZ LYS 78 HZ1 LYS 78 -8.501 8.109 9.267 576 2HZ LYS 78 HZ2 LYS 78 -6.931 7.473 9.267 577 3HZ LYS 78 HZ3 LYS 78 -8.252 6.476 9.650 578 H ALA 79 HN ALA 79 -5.368 0.854 8.766 579 HA ALA 79 HA ALA 79 -3.413 1.798 10.602 580 1HB ALA 79 HB1 ALA 79 -3.369 -0.750 11.182 581 2HB ALA 79 HB2 ALA 79 -4.796 0.216 11.544 582 3HB ALA 79 HB3 ALA 79 -4.769 -0.818 10.113 583 H THR 80 HN THR 80 -3.311 -0.183 7.723 584 HA THR 80 HA THR 80 -0.571 -0.952 8.025 585 HB THR 80 HB THR 80 -1.795 -1.077 5.342 586 HG1 THR 80 HG1 THR 80 -3.470 -2.347 5.921 587 1HG2 THR 80 HG21 THR 80 -0.068 -2.684 7.106 588 2HG2 THR 80 HG22 THR 80 -0.059 -2.526 5.349 589 3HG2 THR 80 HG23 THR 80 -1.203 -3.619 6.131 590 H ILE 81 HN ILE 81 -2.350 1.414 6.072 591 HA ILE 81 HA ILE 81 -0.182 2.364 4.554 592 HB ILE 81 HB ILE 81 -2.533 4.082 5.410 593 1HG1 ILE 81 HG12 ILE 81 -2.507 2.438 2.900 594 2HG1 ILE 81 HG13 ILE 81 -3.083 1.730 4.404 595 1HG2 ILE 81 HG21 ILE 81 -0.319 4.486 3.665 596 2HG2 ILE 81 HG22 ILE 81 -1.794 4.423 2.690 597 3HG2 ILE 81 HG23 ILE 81 -1.655 5.577 4.017 598 1HD1 ILE 81 HD11 ILE 81 -4.822 3.375 4.574 599 2HD1 ILE 81 HD12 ILE 81 -4.179 4.250 3.183 600 3HD1 ILE 81 HD13 ILE 81 -4.880 2.643 2.967 601 H ALA 82 HN ALA 82 -1.392 3.244 7.732 602 HA ALA 82 HA ALA 82 0.253 5.524 8.101 603 1HB ALA 82 HB1 ALA 82 -0.491 5.559 10.299 604 2HB ALA 82 HB2 ALA 82 -1.823 4.789 9.439 605 3HB ALA 82 HB3 ALA 82 -0.693 3.808 10.373 606 H ASP 83 HN ASP 83 0.631 2.118 8.928 607 HA ASP 83 HA ASP 83 3.069 2.309 10.350 608 1HB ASP 83 HB2 ASP 83 1.395 0.345 10.208 609 2HB ASP 83 HB3 ASP 83 2.221 -0.079 8.716 610 H LEU 84 HN LEU 84 2.417 1.428 6.954 611 HA LEU 84 HA LEU 84 5.141 1.203 6.289 612 1HB LEU 84 HB2 LEU 84 2.726 1.662 4.561 613 2HB LEU 84 HB3 LEU 84 4.331 1.322 3.937 614 HG LEU 84 HG LEU 84 3.171 -0.582 5.914 615 1HD1 LEU 84 HD11 LEU 84 2.047 -1.812 4.134 616 2HD1 LEU 84 HD12 LEU 84 1.321 -0.224 4.375 617 3HD1 LEU 84 HD13 LEU 84 2.395 -0.496 3.007 618 1HD2 LEU 84 HD21 LEU 84 4.981 -0.740 3.515 619 2HD2 LEU 84 HD22 LEU 84 5.407 -0.977 5.210 620 3HD2 LEU 84 HD23 LEU 84 4.394 -2.161 4.383 621 H SER 85 HN SER 85 3.013 3.960 6.463 622 HA SER 85 HA SER 85 4.685 5.706 4.928 623 1HB SER 85 HB2 SER 85 2.174 5.980 5.534 624 2HB SER 85 HB3 SER 85 2.787 6.697 7.020 625 HG SER 85 HG SER 85 2.550 7.814 4.610 626 H LYS 86 HN LYS 86 4.451 4.690 8.252 627 HA LYS 86 HA LYS 86 6.232 6.681 9.321 628 1HB LYS 86 HB2 LYS 86 4.483 4.886 10.464 629 2HB LYS 86 HB3 LYS 86 6.030 4.107 10.756 630 1HG LYS 86 HG2 LYS 86 6.791 6.355 11.691 631 2HG LYS 86 HG3 LYS 86 5.079 6.775 11.709 632 1HD LYS 86 HD2 LYS 86 5.426 4.177 12.836 633 2HD LYS 86 HD3 LYS 86 6.525 5.307 13.628 634 1HE LYS 86 HE2 LYS 86 4.695 6.773 14.169 635 2HE LYS 86 HE3 LYS 86 3.581 5.786 13.221 636 1HZ LYS 86 HZ1 LYS 86 4.038 3.942 14.753 637 2HZ LYS 86 HZ2 LYS 86 3.315 5.273 15.518 638 3HZ LYS 86 HZ3 LYS 86 4.980 4.984 15.704 639 H LYS 87 HN LYS 87 6.485 3.550 7.838 640 HA LYS 87 HA LYS 87 9.172 3.009 8.571 641 1HB LYS 87 HB2 LYS 87 7.604 1.977 6.205 642 2HB LYS 87 HB3 LYS 87 9.076 1.272 6.860 643 1HG LYS 87 HG2 LYS 87 7.161 1.470 8.968 644 2HG LYS 87 HG3 LYS 87 6.388 0.725 7.569 645 1HD LYS 87 HD2 LYS 87 9.007 -0.154 8.781 646 2HD LYS 87 HD3 LYS 87 7.449 -0.936 9.047 647 1HE LYS 87 HE2 LYS 87 7.476 -1.955 7.039 648 2HE LYS 87 HE3 LYS 87 8.157 -0.547 6.226 649 1HZ LYS 87 HZ1 LYS 87 9.807 -2.228 8.005 650 2HZ LYS 87 HZ2 LYS 87 10.311 -1.162 6.784 651 3HZ LYS 87 HZ3 LYS 87 9.571 -2.635 6.377 652 H ARG 88 HN ARG 88 7.612 4.788 6.000 653 HA ARG 88 HA ARG 88 9.808 5.082 4.261 654 1HB ARG 88 HB2 ARG 88 7.642 5.639 3.458 655 2HB ARG 88 HB3 ARG 88 7.346 6.750 4.781 656 1HG ARG 88 HG2 ARG 88 7.893 8.352 3.341 657 2HG ARG 88 HG3 ARG 88 9.561 7.834 3.591 658 1HD ARG 88 HD2 ARG 88 7.916 6.417 1.548 659 2HD ARG 88 HD3 ARG 88 8.538 8.025 1.176 660 HE ARG 88 HE ARG 88 10.783 7.046 1.737 661 1HH1 ARG 88 HH12 ARG 88 8.146 5.154 0.442 662 2HH1 ARG 88 HH11 ARG 88 9.178 3.878 -0.115 663 1HH2 ARG 88 HH22 ARG 88 12.146 5.449 0.892 664 2HH2 ARG 88 HH21 ARG 88 11.470 4.057 0.118 665 H SER 89 HN SER 89 11.201 6.951 4.004 666 HA SER 89 HA SER 89 12.542 8.651 4.633 667 1HB SER 89 HB2 SER 89 11.070 8.883 7.244 668 2HB SER 89 HB3 SER 89 12.045 10.091 6.422 669 HG SER 89 HG SER 89 10.372 9.803 4.665 670 H SER 90 HN SER 90 12.044 5.807 6.325 671 HA SER 90 HA SER 90 14.569 6.083 7.806 672 1HB SER 90 HB2 SER 90 12.948 3.677 8.323 673 2HB SER 90 HB3 SER 90 13.701 4.799 9.458 674 HG SER 90 HG SER 90 11.184 4.988 8.166 675 H GLU 91 HN GLU 91 12.968 4.531 5.207 676 HA GLU 91 HA GLU 91 15.357 2.891 4.719 677 1HB GLU 91 HB2 GLU 91 12.919 1.950 3.406 678 2HB GLU 91 HB3 GLU 91 14.137 1.045 4.294 679 1HG GLU 91 HG2 GLU 91 13.051 1.934 6.408 680 2HG GLU 91 HG3 GLU 91 11.730 2.478 5.375 Start of MODEL 6 1 H GLU 11 HN GLU 11 19.875 -0.921 -2.058 2 HA GLU 11 HA GLU 11 17.710 -1.617 -3.843 3 1HB GLU 11 HB2 GLU 11 18.960 -3.132 -2.132 4 2HB GLU 11 HB3 GLU 11 17.878 -2.414 -0.949 5 1HG GLU 11 HG2 GLU 11 17.051 -4.561 -1.741 6 2HG GLU 11 HG3 GLU 11 15.950 -3.250 -2.165 7 H LEU 12 HN LEU 12 17.098 0.703 -3.848 8 HA LEU 12 HA LEU 12 15.646 1.696 -1.556 9 1HB LEU 12 HB2 LEU 12 16.230 2.792 -4.287 10 2HB LEU 12 HB3 LEU 12 15.092 3.579 -3.207 11 HG LEU 12 HG LEU 12 17.970 3.039 -2.482 12 1HD1 LEU 12 HD11 LEU 12 18.535 5.192 -3.131 13 2HD1 LEU 12 HD12 LEU 12 17.505 4.633 -4.451 14 3HD1 LEU 12 HD13 LEU 12 16.854 5.713 -3.219 15 1HD2 LEU 12 HD21 LEU 12 15.727 3.758 -0.957 16 2HD2 LEU 12 HD22 LEU 12 17.419 3.766 -0.458 17 3HD2 LEU 12 HD23 LEU 12 16.693 5.223 -1.138 18 H ASN 13 HN ASN 13 14.877 -0.613 -3.614 19 HA ASN 13 HA ASN 13 12.271 0.188 -4.513 20 1HB ASN 13 HB2 ASN 13 13.757 -1.526 -5.627 21 2HB ASN 13 HB3 ASN 13 13.348 -2.624 -4.312 22 1HD2 ASN 13 HD21 ASN 13 12.370 -4.066 -5.723 23 2HD2 ASN 13 HD22 ASN 13 10.829 -3.741 -6.454 24 H ASN 14 HN ASN 14 12.126 0.839 -2.010 25 HA ASN 14 HA ASN 14 11.214 -1.272 -0.299 26 1HB ASN 14 HB2 ASN 14 11.694 0.246 1.268 27 2HB ASN 14 HB3 ASN 14 12.044 1.429 0.010 28 1HD2 ASN 14 HD21 ASN 14 9.837 0.376 2.414 29 2HD2 ASN 14 HD22 ASN 14 8.704 1.677 2.276 30 H LEU 15 HN LEU 15 9.833 0.593 -2.758 31 HA LEU 15 HA LEU 15 7.180 0.895 -1.942 32 1HB LEU 15 HB2 LEU 15 8.625 1.467 -4.188 33 2HB LEU 15 HB3 LEU 15 7.607 0.159 -4.757 34 HG LEU 15 HG LEU 15 6.301 2.404 -3.306 35 1HD1 LEU 15 HD11 LEU 15 8.041 3.201 -5.106 36 2HD1 LEU 15 HD12 LEU 15 6.778 2.699 -6.230 37 3HD1 LEU 15 HD13 LEU 15 6.437 3.924 -5.006 38 1HD2 LEU 15 HD21 LEU 15 4.527 1.922 -4.933 39 2HD2 LEU 15 HD22 LEU 15 5.552 0.697 -5.681 40 3HD2 LEU 15 HD23 LEU 15 4.991 0.488 -4.018 41 H ARG 16 HN ARG 16 8.950 -1.825 -3.203 42 HA ARG 16 HA ARG 16 6.779 -3.521 -3.797 43 1HB ARG 16 HB2 ARG 16 8.659 -4.381 -4.747 44 2HB ARG 16 HB3 ARG 16 9.704 -3.773 -3.472 45 1HG ARG 16 HG2 ARG 16 9.926 -5.958 -2.991 46 2HG ARG 16 HG3 ARG 16 8.411 -5.710 -2.120 47 1HD ARG 16 HD2 ARG 16 7.152 -6.513 -4.031 48 2HD ARG 16 HD3 ARG 16 8.632 -6.663 -4.976 49 HE ARG 16 HE ARG 16 9.307 -8.475 -3.565 50 1HH1 ARG 16 HH12 ARG 16 5.968 -7.450 -3.142 51 2HH1 ARG 16 HH11 ARG 16 5.482 -8.929 -2.363 52 1HH2 ARG 16 HH22 ARG 16 8.657 -10.417 -2.571 53 2HH2 ARG 16 HH21 ARG 16 7.006 -10.630 -2.066 54 H MET 17 HN MET 17 8.606 -2.921 -0.837 55 HA MET 17 HA MET 17 7.544 -5.036 0.702 56 1HB MET 17 HB2 MET 17 9.308 -2.851 1.100 57 2HB MET 17 HB3 MET 17 8.069 -2.734 2.341 58 1HG MET 17 HG2 MET 17 9.312 -4.161 3.488 59 2HG MET 17 HG3 MET 17 8.727 -5.395 2.371 60 1HE MET 17 HE1 MET 17 11.459 -6.863 0.883 61 2HE MET 17 HE2 MET 17 11.589 -6.914 2.641 62 3HE MET 17 HE3 MET 17 10.001 -6.921 1.879 63 H THR 18 HN THR 18 6.538 -1.689 0.222 64 HA THR 18 HA THR 18 4.370 -1.662 2.022 65 HB THR 18 HB THR 18 4.580 -0.062 -0.536 66 HG1 THR 18 HG1 THR 18 5.925 1.323 0.539 67 1HG2 THR 18 HG21 THR 18 3.436 1.655 0.870 68 2HG2 THR 18 HG22 THR 18 3.235 0.420 2.112 69 3HG2 THR 18 HG23 THR 18 2.461 0.224 0.538 70 H TYR 19 HN TYR 19 4.499 -2.216 -1.470 71 HA TYR 19 HA TYR 19 1.779 -2.684 -1.912 72 1HB TYR 19 HB2 TYR 19 3.353 -2.248 -3.724 73 2HB TYR 19 HB3 TYR 19 4.202 -3.751 -3.382 74 HD1 TYR 19 HD1 TYR 19 1.090 -2.307 -4.754 75 HD2 TYR 19 HD2 TYR 19 3.389 -5.835 -4.179 76 HE1 TYR 19 HE1 TYR 19 -0.350 -3.499 -6.359 77 HE2 TYR 19 HE2 TYR 19 1.965 -7.038 -5.771 78 HH TYR 19 HH TYR 19 0.057 -6.981 -6.926 79 H GLU 20 HN GLU 20 4.352 -4.842 -0.855 80 HA GLU 20 HA GLU 20 2.982 -7.266 -1.214 81 1HB GLU 20 HB2 GLU 20 5.305 -7.437 -1.039 82 2HB GLU 20 HB3 GLU 20 5.380 -6.358 0.346 83 1HG GLU 20 HG2 GLU 20 5.843 -8.430 1.244 84 2HG GLU 20 HG3 GLU 20 4.131 -8.174 1.584 85 H ARG 21 HN ARG 21 3.468 -5.249 1.714 86 HA ARG 21 HA ARG 21 1.974 -6.905 3.436 87 1HB ARG 21 HB2 ARG 21 3.534 -4.782 3.867 88 2HB ARG 21 HB3 ARG 21 1.973 -3.968 3.917 89 1HG ARG 21 HG2 ARG 21 2.309 -4.510 6.129 90 2HG ARG 21 HG3 ARG 21 1.326 -5.864 5.568 91 1HD ARG 21 HD2 ARG 21 4.276 -6.111 5.348 92 2HD ARG 21 HD3 ARG 21 3.575 -6.204 6.961 93 HE ARG 21 HE ARG 21 2.209 -8.073 6.121 94 1HH1 ARG 21 HH12 ARG 21 5.104 -7.164 4.369 95 2HH1 ARG 21 HH11 ARG 21 5.345 -8.739 3.682 96 1HH2 ARG 21 HH22 ARG 21 2.544 -10.187 5.243 97 2HH2 ARG 21 HH21 ARG 21 3.894 -10.456 4.175 98 H LEU 22 HN LEU 22 1.035 -4.404 1.205 99 HA LEU 22 HA LEU 22 -1.676 -4.122 2.102 100 1HB LEU 22 HB2 LEU 22 -0.092 -3.282 -0.288 101 2HB LEU 22 HB3 LEU 22 -1.835 -3.234 -0.391 102 HG LEU 22 HG LEU 22 -0.480 -1.870 1.889 103 1HD1 LEU 22 HD11 LEU 22 0.467 -1.325 -0.549 104 2HD1 LEU 22 HD12 LEU 22 -0.974 -0.309 -0.584 105 3HD1 LEU 22 HD13 LEU 22 0.232 -0.083 0.680 106 1HD2 LEU 22 HD21 LEU 22 -3.100 -1.948 0.550 107 2HD2 LEU 22 HD22 LEU 22 -2.689 -1.553 2.222 108 3HD2 LEU 22 HD23 LEU 22 -2.536 -0.325 0.971 109 H ARG 23 HN ARG 23 -0.009 -6.049 -0.354 110 HA ARG 23 HA ARG 23 -2.369 -7.088 -1.555 111 1HB ARG 23 HB2 ARG 23 -0.300 -7.127 -2.798 112 2HB ARG 23 HB3 ARG 23 0.491 -8.082 -1.552 113 1HG ARG 23 HG2 ARG 23 0.020 -9.803 -2.903 114 2HG ARG 23 HG3 ARG 23 -1.584 -9.704 -2.179 115 1HD ARG 23 HD2 ARG 23 -2.283 -8.234 -4.048 116 2HD ARG 23 HD3 ARG 23 -0.695 -8.448 -4.777 117 HE ARG 23 HE ARG 23 -1.272 -10.895 -4.843 118 1HH1 ARG 23 HH12 ARG 23 -3.717 -8.385 -5.005 119 2HH1 ARG 23 HH11 ARG 23 -4.912 -9.414 -5.744 120 1HH2 ARG 23 HH22 ARG 23 -2.812 -12.238 -5.840 121 2HH2 ARG 23 HH21 ARG 23 -4.387 -11.606 -6.238 122 H GLU 24 HN GLU 24 -0.220 -8.224 1.015 123 HA GLU 24 HA GLU 24 -1.498 -10.738 1.349 124 1HB GLU 24 HB2 GLU 24 0.808 -10.116 2.194 125 2HB GLU 24 HB3 GLU 24 0.008 -9.193 3.454 126 1HG GLU 24 HG2 GLU 24 -1.181 -11.664 3.578 127 2HG GLU 24 HG3 GLU 24 0.518 -12.018 3.286 128 H LEU 25 HN LEU 25 -1.974 -7.541 2.717 129 HA LEU 25 HA LEU 25 -3.889 -8.371 4.671 130 1HB LEU 25 HB2 LEU 25 -2.451 -6.091 4.183 131 2HB LEU 25 HB3 LEU 25 -4.057 -5.613 3.672 132 HG LEU 25 HG LEU 25 -2.969 -5.921 6.342 133 1HD1 LEU 25 HD11 LEU 25 -5.660 -4.830 5.781 134 2HD1 LEU 25 HD12 LEU 25 -4.384 -4.216 6.835 135 3HD1 LEU 25 HD13 LEU 25 -4.266 -4.010 5.084 136 1HD2 LEU 25 HD21 LEU 25 -4.132 -7.717 7.005 137 2HD2 LEU 25 HD22 LEU 25 -5.529 -6.641 6.960 138 3HD2 LEU 25 HD23 LEU 25 -5.176 -7.680 5.583 139 H SER 26 HN SER 26 -3.984 -7.260 1.346 140 HA SER 26 HA SER 26 -6.766 -6.843 1.160 141 1HB SER 26 HB2 SER 26 -4.444 -6.893 -0.621 142 2HB SER 26 HB3 SER 26 -5.898 -7.501 -1.393 143 HG SER 26 HG SER 26 -5.529 -4.992 -0.149 144 H LEU 27 HN LEU 27 -4.730 -9.689 0.837 145 HA LEU 27 HA LEU 27 -6.910 -11.316 -0.162 146 1HB LEU 27 HB2 LEU 27 -4.030 -11.698 0.385 147 2HB LEU 27 HB3 LEU 27 -5.030 -13.108 0.678 148 HG LEU 27 HG LEU 27 -5.909 -12.884 -1.661 149 1HD1 LEU 27 HD11 LEU 27 -4.809 -11.462 -3.225 150 2HD1 LEU 27 HD12 LEU 27 -5.290 -10.464 -1.853 151 3HD1 LEU 27 HD13 LEU 27 -3.610 -10.972 -2.028 152 1HD2 LEU 27 HD21 LEU 27 -2.988 -13.144 -2.005 153 2HD2 LEU 27 HD22 LEU 27 -3.714 -14.175 -0.766 154 3HD2 LEU 27 HD23 LEU 27 -4.287 -14.256 -2.433 155 H ASN 28 HN ASN 28 -5.373 -10.554 2.869 156 HA ASN 28 HA ASN 28 -6.462 -12.629 4.448 157 1HB ASN 28 HB2 ASN 28 -4.805 -10.341 4.819 158 2HB ASN 28 HB3 ASN 28 -6.085 -10.274 6.024 159 1HD2 ASN 28 HD21 ASN 28 -3.219 -11.799 4.988 160 2HD2 ASN 28 HD22 ASN 28 -3.044 -12.886 6.323 161 H LEU 29 HN LEU 29 -7.359 -9.175 4.340 162 HA LEU 29 HA LEU 29 -9.795 -9.562 5.760 163 1HB LEU 29 HB2 LEU 29 -8.946 -7.307 3.941 164 2HB LEU 29 HB3 LEU 29 -10.319 -7.267 5.028 165 HG LEU 29 HG LEU 29 -7.620 -7.789 6.185 166 1HD1 LEU 29 HD11 LEU 29 -7.418 -5.281 6.424 167 2HD1 LEU 29 HD12 LEU 29 -7.085 -5.946 4.823 168 3HD1 LEU 29 HD13 LEU 29 -8.634 -5.162 5.148 169 1HD2 LEU 29 HD21 LEU 29 -10.134 -7.507 7.231 170 2HD2 LEU 29 HD22 LEU 29 -8.627 -7.271 8.118 171 3HD2 LEU 29 HD23 LEU 29 -9.463 -5.885 7.417 172 H GLY 30 HN GLY 30 -8.873 -9.556 2.390 173 1HA GLY 30 HA1 GLY 30 -11.412 -9.307 1.233 174 2HA GLY 30 HA2 GLY 30 -10.007 -10.026 0.462 175 H ASN 31 HN ASN 31 -9.594 -12.275 2.134 176 HA ASN 31 HA ASN 31 -11.778 -13.907 1.170 177 1HB ASN 31 HB2 ASN 31 -9.201 -14.459 1.275 178 2HB ASN 31 HB3 ASN 31 -9.621 -15.044 2.881 179 1HD2 ASN 31 HD21 ASN 31 -8.855 -17.094 1.842 180 2HD2 ASN 31 HD22 ASN 31 -10.036 -18.042 1.006 181 H ARG 32 HN ARG 32 -11.101 -12.250 4.016 182 HA ARG 32 HA ARG 32 -12.616 -14.078 5.702 183 1HB ARG 32 HB2 ARG 32 -10.514 -12.435 6.265 184 2HB ARG 32 HB3 ARG 32 -11.863 -11.437 6.785 185 1HG ARG 32 HG2 ARG 32 -12.452 -12.857 8.475 186 2HG ARG 32 HG3 ARG 32 -11.767 -14.275 7.673 187 1HD ARG 32 HD2 ARG 32 -9.714 -12.344 8.213 188 2HD ARG 32 HD3 ARG 32 -10.601 -12.701 9.690 189 HE ARG 32 HE ARG 32 -10.050 -15.063 9.309 190 1HH1 ARG 32 HH12 ARG 32 -8.227 -12.642 7.562 191 2HH1 ARG 32 HH11 ARG 32 -6.803 -13.624 7.419 192 1HH2 ARG 32 HH22 ARG 32 -8.178 -16.380 9.066 193 2HH2 ARG 32 HH21 ARG 32 -6.783 -15.732 8.249 194 H MET 33 HN MET 33 -13.297 -11.757 3.501 195 HA MET 33 HA MET 33 -15.580 -10.612 4.919 196 1HB MET 33 HB2 MET 33 -13.896 -9.538 3.053 197 2HB MET 33 HB3 MET 33 -15.240 -10.044 2.041 198 1HG MET 33 HG2 MET 33 -16.703 -8.553 2.986 199 2HG MET 33 HG3 MET 33 -15.821 -8.490 4.511 200 1HE MET 33 HE1 MET 33 -13.351 -7.875 4.464 201 2HE MET 33 HE2 MET 33 -12.696 -6.479 3.607 202 3HE MET 33 HE3 MET 33 -13.865 -6.248 4.906 203 H VAL 34 HN VAL 34 -17.732 -10.748 3.995 204 HA VAL 34 HA VAL 34 -18.154 -13.045 2.199 205 HB VAL 34 HB VAL 34 -19.652 -12.492 4.772 206 1HG1 VAL 34 HG11 VAL 34 -20.316 -14.384 2.517 207 2HG1 VAL 34 HG12 VAL 34 -21.056 -14.445 4.112 208 3HG1 VAL 34 HG13 VAL 34 -21.290 -13.026 3.086 209 1HG2 VAL 34 HG21 VAL 34 -17.483 -14.199 4.081 210 2HG2 VAL 34 HG22 VAL 34 -18.317 -14.051 5.626 211 3HG2 VAL 34 HG23 VAL 34 -18.894 -15.204 4.427 212 HA PRO 35 HA PRO 35 -18.962 -13.524 0.455 213 1HB PRO 35 HB2 PRO 35 -18.865 -12.671 -2.108 214 2HB PRO 35 HB3 PRO 35 -20.349 -13.279 -1.366 215 1HG PRO 35 HG2 PRO 35 -19.459 -10.454 -1.798 216 2HG PRO 35 HG3 PRO 35 -21.060 -11.171 -2.071 217 1HD PRO 35 HD2 PRO 35 -20.466 -9.715 0.140 218 2HD PRO 35 HD3 PRO 35 -21.631 -11.054 0.155 219 HA PRO 36 HA PRO 36 -14.685 -12.391 0.546 220 1HB PRO 36 HB2 PRO 36 -14.305 -14.408 -1.603 221 2HB PRO 36 HB3 PRO 36 -13.529 -14.285 -0.021 222 1HG PRO 36 HG2 PRO 36 -15.388 -16.121 -0.466 223 2HG PRO 36 HG3 PRO 36 -15.313 -15.265 1.084 224 1HD PRO 36 HD2 PRO 36 -17.172 -14.854 -1.218 225 2HD PRO 36 HD3 PRO 36 -17.506 -14.817 0.526 226 H VAL 37 HN VAL 37 -13.471 -10.924 -0.421 227 HA VAL 37 HA VAL 37 -14.288 -9.945 -3.032 228 HB VAL 37 HB VAL 37 -12.054 -8.528 -1.816 229 1HG1 VAL 37 HG11 VAL 37 -14.666 -7.965 -3.062 230 2HG1 VAL 37 HG12 VAL 37 -14.065 -6.761 -1.924 231 3HG1 VAL 37 HG13 VAL 37 -13.091 -7.209 -3.327 232 1HG2 VAL 37 HG21 VAL 37 -14.576 -8.885 -0.212 233 2HG2 VAL 37 HG22 VAL 37 -12.924 -9.214 0.297 234 3HG2 VAL 37 HG23 VAL 37 -13.450 -7.551 0.038 235 H GLY 38 HN GLY 38 -13.298 -10.612 -4.802 236 1HA GLY 38 HA1 GLY 38 -10.850 -12.099 -4.710 237 2HA GLY 38 HA2 GLY 38 -11.706 -11.590 -6.161 238 H ASN 39 HN ASN 39 -11.673 -8.802 -5.018 239 HA ASN 39 HA ASN 39 -8.860 -8.088 -5.295 240 1HB ASN 39 HB2 ASN 39 -9.762 -6.108 -6.788 241 2HB ASN 39 HB3 ASN 39 -9.387 -7.666 -7.518 242 1HD2 ASN 39 HD21 ASN 39 -10.807 -7.994 -9.072 243 2HD2 ASN 39 HD22 ASN 39 -12.526 -7.802 -8.937 244 H PHE 40 HN PHE 40 -9.258 -7.835 -2.988 245 HA PHE 40 HA PHE 40 -11.041 -6.162 -1.722 246 1HB PHE 40 HB2 PHE 40 -9.316 -7.645 -0.658 247 2HB PHE 40 HB3 PHE 40 -8.101 -6.448 -1.068 248 HD1 PHE 40 HD1 PHE 40 -7.370 -5.264 0.711 249 HD2 PHE 40 HD2 PHE 40 -11.472 -6.389 0.563 250 HE1 PHE 40 HE1 PHE 40 -7.722 -4.191 2.888 251 HE2 PHE 40 HE2 PHE 40 -11.842 -5.303 2.742 252 HZ PHE 40 HZ PHE 40 -9.968 -4.208 3.910 253 H MET 41 HN MET 41 -7.792 -5.319 -2.873 254 HA MET 41 HA MET 41 -8.743 -2.613 -3.480 255 1HB MET 41 HB2 MET 41 -7.239 -2.873 -1.352 256 2HB MET 41 HB3 MET 41 -5.943 -3.110 -2.515 257 1HG MET 41 HG2 MET 41 -6.236 -0.780 -1.638 258 2HG MET 41 HG3 MET 41 -6.180 -0.952 -3.392 259 1HE MET 41 HE1 MET 41 -8.327 1.464 -1.034 260 2HE MET 41 HE2 MET 41 -9.481 0.197 -0.600 261 3HE MET 41 HE3 MET 41 -7.754 -0.060 -0.353 262 HA PRO 42 HA PRO 42 -7.278 -4.075 -7.421 263 1HB PRO 42 HB2 PRO 42 -7.261 -1.201 -8.157 264 2HB PRO 42 HB3 PRO 42 -8.106 -2.552 -8.914 265 1HG PRO 42 HG2 PRO 42 -9.415 -0.753 -7.466 266 2HG PRO 42 HG3 PRO 42 -9.864 -2.467 -7.422 267 1HD PRO 42 HD2 PRO 42 -8.327 -0.856 -5.436 268 2HD PRO 42 HD3 PRO 42 -9.543 -2.122 -5.166 269 H ASP 43 HN ASP 43 -5.317 -4.372 -8.341 270 HA ASP 43 HA ASP 43 -2.986 -3.726 -7.040 271 1HB ASP 43 HB2 ASP 43 -1.806 -4.611 -8.881 272 2HB ASP 43 HB3 ASP 43 -3.361 -5.437 -8.903 273 H SER 44 HN SER 44 -4.571 -1.907 -9.612 274 HA SER 44 HA SER 44 -2.530 -0.076 -10.152 275 1HB SER 44 HB2 SER 44 -5.338 0.882 -10.284 276 2HB SER 44 HB3 SER 44 -4.077 0.935 -11.509 277 HG SER 44 HG SER 44 -4.391 -1.411 -11.689 278 H ILE 45 HN ILE 45 -5.128 -0.035 -7.760 279 HA ILE 45 HA ILE 45 -4.431 2.571 -6.750 280 HB ILE 45 HB ILE 45 -6.213 0.443 -5.546 281 1HG1 ILE 45 HG12 ILE 45 -6.822 1.556 -7.813 282 2HG1 ILE 45 HG13 ILE 45 -8.051 1.474 -6.556 283 1HG2 ILE 45 HG21 ILE 45 -5.747 1.725 -3.705 284 2HG2 ILE 45 HG22 ILE 45 -5.504 3.193 -4.649 285 3HG2 ILE 45 HG23 ILE 45 -7.138 2.588 -4.356 286 1HD1 ILE 45 HD11 ILE 45 -8.341 3.635 -6.962 287 2HD1 ILE 45 HD12 ILE 45 -6.846 3.876 -6.052 288 3HD1 ILE 45 HD13 ILE 45 -6.800 3.776 -7.810 289 H LEU 46 HN LEU 46 -3.797 -0.800 -5.864 290 HA LEU 46 HA LEU 46 -2.634 -0.365 -3.343 291 1HB LEU 46 HB2 LEU 46 -2.097 -2.493 -5.423 292 2HB LEU 46 HB3 LEU 46 -1.374 -2.516 -3.833 293 HG LEU 46 HG LEU 46 -4.361 -2.545 -4.223 294 1HD1 LEU 46 HD11 LEU 46 -4.231 -4.590 -5.037 295 2HD1 LEU 46 HD12 LEU 46 -2.474 -4.570 -4.924 296 3HD1 LEU 46 HD13 LEU 46 -3.442 -5.108 -3.546 297 1HD2 LEU 46 HD21 LEU 46 -4.069 -3.852 -2.021 298 2HD2 LEU 46 HD22 LEU 46 -2.471 -3.092 -1.982 299 3HD2 LEU 46 HD23 LEU 46 -3.924 -2.087 -2.008 300 H LYS 47 HN LYS 47 -1.342 -0.125 -6.595 301 HA LYS 47 HA LYS 47 1.373 0.149 -5.806 302 1HB LYS 47 HB2 LYS 47 -0.106 0.677 -8.372 303 2HB LYS 47 HB3 LYS 47 1.624 0.960 -8.209 304 1HG LYS 47 HG2 LYS 47 1.797 -1.456 -7.457 305 2HG LYS 47 HG3 LYS 47 0.135 -1.643 -8.014 306 1HD LYS 47 HD2 LYS 47 0.857 -1.940 -10.084 307 2HD LYS 47 HD3 LYS 47 1.616 -0.346 -10.059 308 1HE LYS 47 HE2 LYS 47 3.657 -1.218 -9.848 309 2HE LYS 47 HE3 LYS 47 3.140 -2.321 -8.576 310 1HZ LYS 47 HZ1 LYS 47 2.090 -3.208 -11.038 311 2HZ LYS 47 HZ2 LYS 47 3.201 -3.980 -10.014 312 3HZ LYS 47 HZ3 LYS 47 3.756 -2.934 -11.223 313 H LYS 48 HN LYS 48 -1.133 2.550 -6.765 314 HA LYS 48 HA LYS 48 0.711 4.712 -6.467 315 1HB LYS 48 HB2 LYS 48 -1.474 6.104 -6.247 316 2HB LYS 48 HB3 LYS 48 -1.075 5.377 -7.787 317 1HG LYS 48 HG2 LYS 48 -2.635 3.582 -7.377 318 2HG LYS 48 HG3 LYS 48 -2.955 4.205 -5.760 319 1HD LYS 48 HD2 LYS 48 -4.755 4.998 -7.011 320 2HD LYS 48 HD3 LYS 48 -3.650 6.373 -6.956 321 1HE LYS 48 HE2 LYS 48 -2.732 5.391 -9.182 322 2HE LYS 48 HE3 LYS 48 -4.276 4.542 -9.243 323 1HZ LYS 48 HZ1 LYS 48 -3.715 7.422 -9.447 324 2HZ LYS 48 HZ2 LYS 48 -5.208 6.928 -8.815 325 3HZ LYS 48 HZ3 LYS 48 -4.757 6.459 -10.381 326 H MET 49 HN MET 49 -1.631 3.194 -4.334 327 HA MET 49 HA MET 49 -1.380 5.044 -2.205 328 1HB MET 49 HB2 MET 49 -3.021 3.829 -1.316 329 2HB MET 49 HB3 MET 49 -2.999 2.901 -2.808 330 1HG MET 49 HG2 MET 49 -1.042 1.674 -1.423 331 2HG MET 49 HG3 MET 49 -2.116 2.189 -0.129 332 1HE MET 49 HE1 MET 49 -4.323 1.560 0.271 333 2HE MET 49 HE2 MET 49 -5.308 1.495 -1.191 334 3HE MET 49 HE3 MET 49 -5.064 0.040 -0.231 335 H ALA 50 HN ALA 50 0.457 2.232 -3.185 336 HA ALA 50 HA ALA 50 1.936 2.048 -0.738 337 1HB ALA 50 HB1 ALA 50 3.258 0.851 -3.018 338 2HB ALA 50 HB2 ALA 50 2.629 0.098 -1.552 339 3HB ALA 50 HB3 ALA 50 1.558 0.394 -2.927 340 H ALA 51 HN ALA 51 2.343 3.696 -3.786 341 HA ALA 51 HA ALA 51 5.108 4.336 -3.355 342 1HB ALA 51 HB1 ALA 51 4.880 5.715 -5.347 343 2HB ALA 51 HB2 ALA 51 4.155 4.127 -5.600 344 3HB ALA 51 HB3 ALA 51 3.126 5.523 -5.289 345 H ILE 52 HN ILE 52 2.034 6.063 -2.980 346 HA ILE 52 HA ILE 52 3.423 8.463 -2.112 347 HB ILE 52 HB ILE 52 0.572 7.743 -2.668 348 1HG1 ILE 52 HG12 ILE 52 1.089 10.163 -3.819 349 2HG1 ILE 52 HG13 ILE 52 2.681 9.413 -3.855 350 1HG2 ILE 52 HG21 ILE 52 -0.250 9.114 -1.142 351 2HG2 ILE 52 HG22 ILE 52 1.372 9.591 -0.634 352 3HG2 ILE 52 HG23 ILE 52 0.571 10.448 -1.953 353 1HD1 ILE 52 HD11 ILE 52 2.039 8.414 -5.726 354 2HD1 ILE 52 HD12 ILE 52 0.944 7.439 -4.746 355 3HD1 ILE 52 HD13 ILE 52 0.366 8.927 -5.496 356 H LEU 53 HN LEU 53 1.283 6.006 -0.751 357 HA LEU 53 HA LEU 53 0.687 5.442 1.356 358 1HB LEU 53 HB2 LEU 53 3.518 6.345 1.647 359 2HB LEU 53 HB3 LEU 53 2.590 5.987 3.088 360 HG LEU 53 HG LEU 53 3.155 4.081 0.821 361 1HD1 LEU 53 HD11 LEU 53 4.447 4.618 3.412 362 2HD1 LEU 53 HD12 LEU 53 4.171 2.921 3.023 363 3HD1 LEU 53 HD13 LEU 53 5.109 3.932 1.929 364 1HD2 LEU 53 HD21 LEU 53 2.199 2.503 2.741 365 2HD2 LEU 53 HD22 LEU 53 1.285 3.962 3.116 366 3HD2 LEU 53 HD23 LEU 53 1.169 3.232 1.514 367 HA PRO 54 HA PRO 54 -0.557 9.736 2.345 368 1HB PRO 54 HB2 PRO 54 -3.296 8.986 2.037 369 2HB PRO 54 HB3 PRO 54 -2.333 10.036 1.001 370 1HG PRO 54 HG2 PRO 54 -3.315 7.515 0.307 371 2HG PRO 54 HG3 PRO 54 -2.024 8.396 -0.533 372 1HD PRO 54 HD2 PRO 54 -1.833 6.153 1.420 373 2HD PRO 54 HD3 PRO 54 -0.774 6.557 0.055 374 H MET 55 HN MET 55 -0.345 9.971 4.468 375 HA MET 55 HA MET 55 -1.707 8.159 6.307 376 1HB MET 55 HB2 MET 55 0.311 10.360 6.745 377 2HB MET 55 HB3 MET 55 -0.447 9.462 8.052 378 1HG MET 55 HG2 MET 55 0.460 7.373 6.957 379 2HG MET 55 HG3 MET 55 1.423 8.447 5.945 380 1HE MET 55 HE1 MET 55 1.773 7.435 10.317 381 2HE MET 55 HE2 MET 55 0.920 8.967 10.138 382 3HE MET 55 HE3 MET 55 0.307 7.521 9.337 383 H ASN 56 HN ASN 56 -2.815 10.537 4.628 384 HA ASN 56 HA ASN 56 -4.570 11.516 6.749 385 1HB ASN 56 HB2 ASN 56 -2.500 13.070 5.902 386 2HB ASN 56 HB3 ASN 56 -3.776 13.558 4.790 387 1HD2 ASN 56 HD21 ASN 56 -2.848 13.325 8.144 388 2HD2 ASN 56 HD22 ASN 56 -3.986 14.485 8.732 389 H ASP 57 HN ASP 57 -6.616 12.171 6.018 390 HA ASP 57 HA ASP 57 -7.584 10.782 3.754 391 1HB ASP 57 HB2 ASP 57 -8.725 12.281 5.916 392 2HB ASP 57 HB3 ASP 57 -9.435 12.834 4.403 393 H SER 58 HN SER 58 -6.584 14.113 4.233 394 HA SER 58 HA SER 58 -7.574 15.100 1.755 395 1HB SER 58 HB2 SER 58 -5.181 16.440 2.780 396 2HB SER 58 HB3 SER 58 -6.802 17.083 2.528 397 HG SER 58 HG SER 58 -7.408 16.061 4.524 398 H ALA 59 HN ALA 59 -4.599 13.636 2.878 399 HA ALA 59 HA ALA 59 -3.033 14.018 0.560 400 1HB ALA 59 HB1 ALA 59 -2.776 11.776 2.558 401 2HB ALA 59 HB2 ALA 59 -1.530 12.392 1.474 402 3HB ALA 59 HB3 ALA 59 -2.124 13.398 2.795 403 H PHE 60 HN PHE 60 -5.442 11.689 1.469 404 HA PHE 60 HA PHE 60 -4.923 9.606 -0.311 405 1HB PHE 60 HB2 PHE 60 -7.086 10.461 1.405 406 2HB PHE 60 HB3 PHE 60 -7.724 9.833 -0.113 407 HD1 PHE 60 HD1 PHE 60 -8.103 8.624 2.627 408 HD2 PHE 60 HD2 PHE 60 -5.194 7.919 -0.395 409 HE1 PHE 60 HE1 PHE 60 -7.804 6.346 3.455 410 HE2 PHE 60 HE2 PHE 60 -4.891 5.620 0.442 411 HZ PHE 60 HZ PHE 60 -6.141 4.832 2.298 412 H ALA 61 HN ALA 61 -6.224 12.758 -0.873 413 HA ALA 61 HA ALA 61 -7.649 12.334 -3.251 414 1HB ALA 61 HB1 ALA 61 -6.116 14.864 -2.831 415 2HB ALA 61 HB2 ALA 61 -7.746 14.627 -3.463 416 3HB ALA 61 HB3 ALA 61 -7.436 14.447 -1.738 417 H THR 62 HN THR 62 -4.246 12.364 -2.645 418 HA THR 62 HA THR 62 -3.331 13.088 -5.214 419 HB THR 62 HB THR 62 -1.207 12.058 -4.561 420 HG1 THR 62 HG1 THR 62 -2.403 11.395 -2.070 421 1HG2 THR 62 HG21 THR 62 -2.213 13.525 -2.152 422 2HG2 THR 62 HG22 THR 62 -2.124 14.341 -3.712 423 3HG2 THR 62 HG23 THR 62 -0.663 13.676 -2.986 424 H LEU 63 HN LEU 63 -4.846 10.235 -4.086 425 HA LEU 63 HA LEU 63 -3.679 8.496 -6.102 426 1HB LEU 63 HB2 LEU 63 -6.099 7.945 -4.385 427 2HB LEU 63 HB3 LEU 63 -5.126 6.774 -5.250 428 HG LEU 63 HG LEU 63 -4.228 8.390 -2.865 429 1HD1 LEU 63 HD11 LEU 63 -5.558 5.816 -3.196 430 2HD1 LEU 63 HD12 LEU 63 -4.079 5.737 -2.235 431 3HD1 LEU 63 HD13 LEU 63 -5.381 6.829 -1.761 432 1HD2 LEU 63 HD21 LEU 63 -2.230 8.005 -3.884 433 2HD2 LEU 63 HD22 LEU 63 -2.418 6.477 -3.023 434 3HD2 LEU 63 HD23 LEU 63 -2.807 6.570 -4.745 435 H GLY 64 HN GLY 64 -5.929 10.907 -6.075 436 1HA GLY 64 HA1 GLY 64 -6.943 11.515 -8.201 437 2HA GLY 64 HA2 GLY 64 -7.298 9.806 -8.450 438 H THR 65 HN THR 65 -9.542 10.270 -8.685 439 HA THR 65 HA THR 65 -10.867 11.230 -6.251 440 HB THR 65 HB THR 65 -12.881 10.958 -8.012 441 HG1 THR 65 HG1 THR 65 -10.774 11.934 -9.642 442 1HG2 THR 65 HG21 THR 65 -11.879 13.480 -8.622 443 2HG2 THR 65 HG22 THR 65 -11.227 13.124 -7.021 444 3HG2 THR 65 HG23 THR 65 -12.966 13.071 -7.297 445 H VAL 66 HN VAL 66 -10.162 9.060 -5.365 446 HA VAL 66 HA VAL 66 -11.158 6.638 -6.269 447 HB VAL 66 HB VAL 66 -10.859 5.729 -4.039 448 1HG1 VAL 66 HG11 VAL 66 -8.833 5.809 -5.135 449 2HG1 VAL 66 HG12 VAL 66 -8.752 7.572 -5.083 450 3HG1 VAL 66 HG13 VAL 66 -8.479 6.629 -3.614 451 1HG2 VAL 66 HG21 VAL 66 -11.791 7.389 -2.615 452 2HG2 VAL 66 HG22 VAL 66 -10.085 7.240 -2.183 453 3HG2 VAL 66 HG23 VAL 66 -10.628 8.598 -3.162 454 H GLU 67 HN GLU 67 -13.022 5.570 -6.105 455 HA GLU 67 HA GLU 67 -15.388 7.043 -5.467 456 1HB GLU 67 HB2 GLU 67 -14.799 4.273 -6.470 457 2HB GLU 67 HB3 GLU 67 -16.412 4.710 -5.963 458 1HG GLU 67 HG2 GLU 67 -16.781 5.947 -7.773 459 2HG GLU 67 HG3 GLU 67 -15.137 6.565 -7.838 460 H ASP 68 HN ASP 68 -17.089 6.100 -4.047 461 HA ASP 68 HA ASP 68 -16.169 5.760 -1.425 462 1HB ASP 68 HB2 ASP 68 -18.492 6.467 -2.184 463 2HB ASP 68 HB3 ASP 68 -18.834 4.758 -2.411 464 H LYS 69 HN LYS 69 -16.891 3.464 -3.952 465 HA LYS 69 HA LYS 69 -16.958 1.113 -2.424 466 1HB LYS 69 HB2 LYS 69 -16.663 -0.086 -4.471 467 2HB LYS 69 HB3 LYS 69 -17.672 1.310 -4.817 468 1HG LYS 69 HG2 LYS 69 -15.364 2.397 -5.473 469 2HG LYS 69 HG3 LYS 69 -14.888 0.711 -5.676 470 1HD LYS 69 HD2 LYS 69 -17.344 0.843 -6.934 471 2HD LYS 69 HD3 LYS 69 -16.588 2.382 -7.340 472 1HE LYS 69 HE2 LYS 69 -14.513 0.896 -7.864 473 2HE LYS 69 HE3 LYS 69 -15.714 -0.386 -7.989 474 1HZ LYS 69 HZ1 LYS 69 -15.410 0.512 -10.139 475 2HZ LYS 69 HZ2 LYS 69 -15.585 2.110 -9.584 476 3HZ LYS 69 HZ3 LYS 69 -16.918 1.065 -9.589 477 H TYR 70 HN TYR 70 -14.323 3.108 -3.480 478 HA TYR 70 HA TYR 70 -12.313 1.097 -2.860 479 1HB TYR 70 HB2 TYR 70 -12.091 3.994 -3.713 480 2HB TYR 70 HB3 TYR 70 -10.712 2.930 -3.464 481 HD1 TYR 70 HD1 TYR 70 -12.975 4.218 -5.850 482 HD2 TYR 70 HD2 TYR 70 -10.786 0.688 -4.880 483 HE1 TYR 70 HE1 TYR 70 -13.150 3.470 -8.186 484 HE2 TYR 70 HE2 TYR 70 -10.966 -0.059 -7.215 485 HH TYR 70 HH TYR 70 -11.283 0.987 -9.459 486 H ARG 71 HN ARG 71 -13.758 3.970 -1.536 487 HA ARG 71 HA ARG 71 -11.958 4.461 0.578 488 1HB ARG 71 HB2 ARG 71 -14.875 5.157 0.181 489 2HB ARG 71 HB3 ARG 71 -13.960 5.665 1.592 490 1HG ARG 71 HG2 ARG 71 -12.752 6.287 -1.025 491 2HG ARG 71 HG3 ARG 71 -14.222 7.167 -0.596 492 1HD ARG 71 HD2 ARG 71 -11.872 6.912 1.253 493 2HD ARG 71 HD3 ARG 71 -12.056 8.238 0.102 494 HE ARG 71 HE ARG 71 -14.141 7.683 2.100 495 1HH1 ARG 71 HH12 ARG 71 -11.819 9.888 0.644 496 2HH1 ARG 71 HH11 ARG 71 -12.366 11.254 1.574 497 1HH2 ARG 71 HH22 ARG 71 -14.854 9.448 3.287 498 2HH2 ARG 71 HH21 ARG 71 -14.121 11.009 3.073 499 H ARG 72 HN ARG 72 -14.695 2.276 0.275 500 HA ARG 72 HA ARG 72 -15.174 1.664 2.946 501 1HB ARG 72 HB2 ARG 72 -15.172 -0.234 0.604 502 2HB ARG 72 HB3 ARG 72 -15.858 -0.580 2.181 503 1HG ARG 72 HG2 ARG 72 -17.682 0.731 1.816 504 2HG ARG 72 HG3 ARG 72 -16.822 1.799 0.694 505 1HD ARG 72 HD2 ARG 72 -18.357 0.432 -0.569 506 2HD ARG 72 HD3 ARG 72 -16.689 -0.044 -0.914 507 HE ARG 72 HE ARG 72 -17.695 -1.656 1.168 508 1HH1 ARG 72 HH12 ARG 72 -18.120 -1.198 -2.291 509 2HH1 ARG 72 HH11 ARG 72 -18.538 -2.857 -2.583 510 1HH2 ARG 72 HH22 ARG 72 -18.247 -3.846 0.762 511 2HH2 ARG 72 HH21 ARG 72 -18.651 -4.344 -0.853 512 H ARG 73 HN ARG 73 -12.982 -0.009 0.712 513 HA ARG 73 HA ARG 73 -11.848 -1.605 2.793 514 1HB ARG 73 HB2 ARG 73 -11.006 -1.123 -0.061 515 2HB ARG 73 HB3 ARG 73 -10.234 -2.285 1.001 516 1HG ARG 73 HG2 ARG 73 -11.688 -3.631 -0.156 517 2HG ARG 73 HG3 ARG 73 -12.662 -3.223 1.260 518 1HD ARG 73 HD2 ARG 73 -13.846 -1.539 0.049 519 2HD ARG 73 HD3 ARG 73 -12.774 -1.727 -1.345 520 HE ARG 73 HE ARG 73 -14.715 -3.766 -0.437 521 1HH1 ARG 73 HH12 ARG 73 -12.828 -2.198 -2.926 522 2HH1 ARG 73 HH11 ARG 73 -13.484 -3.149 -4.217 523 1HH2 ARG 73 HH22 ARG 73 -15.622 -5.004 -2.158 524 2HH2 ARG 73 HH21 ARG 73 -15.055 -4.750 -3.783 525 H PHE 74 HN PHE 74 -11.438 1.555 1.893 526 HA PHE 74 HA PHE 74 -8.621 1.839 2.343 527 1HB PHE 74 HB2 PHE 74 -10.883 3.585 1.746 528 2HB PHE 74 HB3 PHE 74 -9.719 4.317 2.849 529 HD1 PHE 74 HD1 PHE 74 -10.207 5.462 0.181 530 HD2 PHE 74 HD2 PHE 74 -7.520 2.390 1.401 531 HE1 PHE 74 HE1 PHE 74 -8.720 6.010 -1.711 532 HE2 PHE 74 HE2 PHE 74 -6.037 2.933 -0.482 533 HZ PHE 74 HZ PHE 74 -6.622 4.749 -2.029 534 H LYS 75 HN LYS 75 -11.505 2.113 4.321 535 HA LYS 75 HA LYS 75 -10.197 3.158 6.607 536 1HB LYS 75 HB2 LYS 75 -12.237 2.772 7.774 537 2HB LYS 75 HB3 LYS 75 -12.667 3.257 6.142 538 1HG LYS 75 HG2 LYS 75 -13.123 0.947 5.541 539 2HG LYS 75 HG3 LYS 75 -12.638 0.426 7.162 540 1HD LYS 75 HD2 LYS 75 -14.673 0.850 7.949 541 2HD LYS 75 HD3 LYS 75 -14.581 2.515 7.372 542 1HE LYS 75 HE2 LYS 75 -15.348 1.778 5.154 543 2HE LYS 75 HE3 LYS 75 -15.452 0.123 5.745 544 1HZ LYS 75 HZ1 LYS 75 -17.368 0.536 6.834 545 2HZ LYS 75 HZ2 LYS 75 -17.514 1.800 5.711 546 3HZ LYS 75 HZ3 LYS 75 -16.932 2.125 7.265 547 H TYR 76 HN TYR 76 -10.392 0.001 5.236 548 HA TYR 76 HA TYR 76 -9.637 -1.358 7.698 549 1HB TYR 76 HB2 TYR 76 -9.822 -2.503 4.913 550 2HB TYR 76 HB3 TYR 76 -9.754 -3.396 6.420 551 HD1 TYR 76 HD1 TYR 76 -11.879 -2.752 3.899 552 HD2 TYR 76 HD2 TYR 76 -11.715 -2.287 8.121 553 HE1 TYR 76 HE1 TYR 76 -14.339 -2.760 3.982 554 HE2 TYR 76 HE2 TYR 76 -14.173 -2.295 8.226 555 HH TYR 76 HH TYR 76 -16.115 -1.738 6.603 556 H PHE 77 HN PHE 77 -8.099 0.401 5.378 557 HA PHE 77 HA PHE 77 -5.596 -1.146 5.545 558 1HB PHE 77 HB2 PHE 77 -6.831 0.546 3.453 559 2HB PHE 77 HB3 PHE 77 -5.089 0.658 3.620 560 HD1 PHE 77 HD1 PHE 77 -7.139 -0.534 1.438 561 HD2 PHE 77 HD2 PHE 77 -4.413 -2.169 4.269 562 HE1 PHE 77 HE1 PHE 77 -6.890 -2.542 0.042 563 HE2 PHE 77 HE2 PHE 77 -4.172 -4.182 2.877 564 HZ PHE 77 HZ PHE 77 -5.404 -4.358 0.748 565 H LYS 78 HN LYS 78 -7.096 1.725 6.596 566 HA LYS 78 HA LYS 78 -5.087 3.607 6.539 567 1HB LYS 78 HB2 LYS 78 -7.628 3.421 7.626 568 2HB LYS 78 HB3 LYS 78 -6.602 3.779 9.008 569 1HG LYS 78 HG2 LYS 78 -6.485 5.905 8.401 570 2HG LYS 78 HG3 LYS 78 -5.810 5.436 6.839 571 1HD LYS 78 HD2 LYS 78 -7.777 5.699 5.765 572 2HD LYS 78 HD3 LYS 78 -8.703 5.015 7.102 573 1HE LYS 78 HE2 LYS 78 -8.668 7.067 8.294 574 2HE LYS 78 HE3 LYS 78 -7.508 7.778 7.168 575 1HZ LYS 78 HZ1 LYS 78 -10.161 8.131 7.064 576 2HZ LYS 78 HZ2 LYS 78 -9.973 6.854 5.961 577 3HZ LYS 78 HZ3 LYS 78 -9.138 8.309 5.728 578 H ALA 79 HN ALA 79 -5.301 0.889 8.768 579 HA ALA 79 HA ALA 79 -3.358 2.018 10.571 580 1HB ALA 79 HB1 ALA 79 -4.594 -0.704 10.319 581 2HB ALA 79 HB2 ALA 79 -3.284 -0.386 11.454 582 3HB ALA 79 HB3 ALA 79 -4.808 0.488 11.596 583 H THR 80 HN THR 80 -3.318 -0.144 7.834 584 HA THR 80 HA THR 80 -0.558 -0.883 8.155 585 HB THR 80 HB THR 80 -1.969 -1.195 5.543 586 HG1 THR 80 HG1 THR 80 -2.594 -2.740 7.863 587 1HG2 THR 80 HG21 THR 80 0.014 -2.673 7.193 588 2HG2 THR 80 HG22 THR 80 0.036 -2.306 5.468 589 3HG2 THR 80 HG23 THR 80 -1.002 -3.594 6.084 590 H ILE 81 HN ILE 81 -2.384 1.195 5.918 591 HA ILE 81 HA ILE 81 -0.230 2.096 4.387 592 HB ILE 81 HB ILE 81 -2.811 3.513 5.075 593 1HG1 ILE 81 HG12 ILE 81 -1.973 2.033 2.574 594 2HG1 ILE 81 HG13 ILE 81 -2.949 1.333 3.861 595 1HG2 ILE 81 HG21 ILE 81 -0.492 4.395 3.505 596 2HG2 ILE 81 HG22 ILE 81 -2.051 4.562 2.690 597 3HG2 ILE 81 HG23 ILE 81 -1.785 5.336 4.253 598 1HD1 ILE 81 HD11 ILE 81 -4.160 2.221 1.805 599 2HD1 ILE 81 HD12 ILE 81 -4.769 2.714 3.387 600 3HD1 ILE 81 HD13 ILE 81 -3.790 3.826 2.437 601 H ALA 82 HN ALA 82 -1.488 3.269 7.460 602 HA ALA 82 HA ALA 82 0.196 5.559 7.594 603 1HB ALA 82 HB1 ALA 82 -1.401 5.925 9.119 604 2HB ALA 82 HB2 ALA 82 -1.731 4.205 9.329 605 3HB ALA 82 HB3 ALA 82 -0.389 4.966 10.196 606 H ASP 83 HN ASP 83 0.355 2.310 8.983 607 HA ASP 83 HA ASP 83 2.744 2.657 10.399 608 1HB ASP 83 HB2 ASP 83 1.118 0.747 10.634 609 2HB ASP 83 HB3 ASP 83 1.802 0.077 9.156 610 H LEU 84 HN LEU 84 2.165 1.544 7.089 611 HA LEU 84 HA LEU 84 4.799 0.824 6.479 612 1HB LEU 84 HB2 LEU 84 2.543 1.810 4.751 613 2HB LEU 84 HB3 LEU 84 4.082 1.295 4.081 614 HG LEU 84 HG LEU 84 2.547 -0.543 5.879 615 1HD1 LEU 84 HD11 LEU 84 1.890 -1.316 3.322 616 2HD1 LEU 84 HD12 LEU 84 0.822 -0.511 4.472 617 3HD1 LEU 84 HD13 LEU 84 1.709 0.437 3.282 618 1HD2 LEU 84 HD21 LEU 84 3.652 -2.241 4.500 619 2HD2 LEU 84 HD22 LEU 84 4.420 -0.969 3.555 620 3HD2 LEU 84 HD23 LEU 84 4.821 -1.160 5.264 621 H SER 85 HN SER 85 3.287 3.973 6.624 622 HA SER 85 HA SER 85 5.444 5.308 5.254 623 1HB SER 85 HB2 SER 85 2.978 6.069 5.451 624 2HB SER 85 HB3 SER 85 3.454 6.695 7.029 625 HG SER 85 HG SER 85 4.064 8.365 5.907 626 H LYS 86 HN LYS 86 4.607 4.432 8.503 627 HA LYS 86 HA LYS 86 6.443 6.146 9.853 628 1HB LYS 86 HB2 LYS 86 5.088 3.574 10.689 629 2HB LYS 86 HB3 LYS 86 6.117 4.507 11.766 630 1HG LYS 86 HG2 LYS 86 4.539 6.076 12.130 631 2HG LYS 86 HG3 LYS 86 3.923 6.002 10.476 632 1HD LYS 86 HD2 LYS 86 2.166 5.117 11.716 633 2HD LYS 86 HD3 LYS 86 3.025 3.673 11.177 634 1HE LYS 86 HE2 LYS 86 4.098 4.640 13.678 635 2HE LYS 86 HE3 LYS 86 2.360 4.387 13.800 636 1HZ LYS 86 HZ1 LYS 86 3.471 2.182 12.448 637 2HZ LYS 86 HZ2 LYS 86 2.721 2.213 13.968 638 3HZ LYS 86 HZ3 LYS 86 4.394 2.462 13.846 639 H LYS 87 HN LYS 87 6.531 2.815 8.674 640 HA LYS 87 HA LYS 87 9.179 2.274 9.605 641 1HB LYS 87 HB2 LYS 87 7.984 0.835 7.268 642 2HB LYS 87 HB3 LYS 87 8.979 0.205 8.566 643 1HG LYS 87 HG2 LYS 87 6.745 0.962 9.930 644 2HG LYS 87 HG3 LYS 87 6.068 0.480 8.374 645 1HD LYS 87 HD2 LYS 87 6.266 -1.657 8.942 646 2HD LYS 87 HD3 LYS 87 8.017 -1.449 9.092 647 1HE LYS 87 HE2 LYS 87 7.824 -1.773 11.275 648 2HE LYS 87 HE3 LYS 87 6.903 -0.274 11.367 649 1HZ LYS 87 HZ1 LYS 87 4.873 -1.520 10.996 650 2HZ LYS 87 HZ2 LYS 87 5.701 -2.130 12.346 651 3HZ LYS 87 HZ3 LYS 87 5.756 -2.970 10.879 652 H ARG 88 HN ARG 88 7.809 3.794 6.801 653 HA ARG 88 HA ARG 88 10.238 3.650 5.250 654 1HB ARG 88 HB2 ARG 88 7.811 3.814 4.353 655 2HB ARG 88 HB3 ARG 88 7.964 5.534 4.679 656 1HG ARG 88 HG2 ARG 88 9.794 5.716 3.139 657 2HG ARG 88 HG3 ARG 88 9.843 3.965 2.930 658 1HD ARG 88 HD2 ARG 88 8.724 5.022 1.044 659 2HD ARG 88 HD3 ARG 88 7.609 4.003 1.951 660 HE ARG 88 HE ARG 88 7.275 6.503 3.017 661 1HH1 ARG 88 HH12 ARG 88 7.120 5.242 -0.258 662 2HH1 ARG 88 HH11 ARG 88 5.822 6.289 -0.737 663 1HH2 ARG 88 HH22 ARG 88 5.623 7.950 2.350 664 2HH2 ARG 88 HH21 ARG 88 4.955 7.819 0.759 665 H SER 89 HN SER 89 10.891 4.664 7.676 666 HA SER 89 HA SER 89 10.869 7.527 7.738 667 1HB SER 89 HB2 SER 89 12.977 6.419 9.342 668 2HB SER 89 HB3 SER 89 11.449 7.124 9.876 669 HG SER 89 HG SER 89 10.520 5.162 9.913 670 H SER 90 HN SER 90 12.901 5.046 6.452 671 HA SER 90 HA SER 90 14.682 5.036 5.075 672 1HB SER 90 HB2 SER 90 14.560 8.034 4.807 673 2HB SER 90 HB3 SER 90 15.075 6.832 3.620 674 HG SER 90 HG SER 90 12.449 6.730 4.570 675 H GLU 91 HN GLU 91 14.847 5.452 7.954 676 HA GLU 91 HA GLU 91 17.663 5.812 8.116 677 1HB GLU 91 HB2 GLU 91 17.500 7.584 9.940 678 2HB GLU 91 HB3 GLU 91 17.300 8.135 8.284 679 1HG GLU 91 HG2 GLU 91 14.732 7.678 8.916 680 2HG GLU 91 HG3 GLU 91 15.374 8.058 10.513 Start of MODEL 7 1 H GLU 11 HN GLU 11 15.133 0.420 -7.627 2 HA GLU 11 HA GLU 11 16.753 0.493 -5.262 3 1HB GLU 11 HB2 GLU 11 15.412 2.884 -6.479 4 2HB GLU 11 HB3 GLU 11 17.002 2.746 -5.763 5 1HG GLU 11 HG2 GLU 11 17.647 2.906 -7.909 6 2HG GLU 11 HG3 GLU 11 17.389 1.165 -7.859 7 H LEU 12 HN LEU 12 13.470 0.519 -6.154 8 HA LEU 12 HA LEU 12 12.518 1.694 -3.655 9 1HB LEU 12 HB2 LEU 12 11.218 0.826 -6.215 10 2HB LEU 12 HB3 LEU 12 10.245 1.045 -4.775 11 HG LEU 12 HG LEU 12 11.884 3.144 -6.181 12 1HD1 LEU 12 HD11 LEU 12 9.539 4.192 -6.275 13 2HD1 LEU 12 HD12 LEU 12 9.912 2.878 -7.386 14 3HD1 LEU 12 HD13 LEU 12 8.954 2.562 -5.937 15 1HD2 LEU 12 HD21 LEU 12 11.605 4.579 -4.452 16 2HD2 LEU 12 HD22 LEU 12 10.071 3.859 -3.960 17 3HD2 LEU 12 HD23 LEU 12 11.592 3.083 -3.517 18 H ASN 13 HN ASN 13 13.951 -0.494 -3.138 19 HA ASN 13 HA ASN 13 12.640 -2.969 -3.176 20 1HB ASN 13 HB2 ASN 13 15.099 -1.978 -2.288 21 2HB ASN 13 HB3 ASN 13 14.351 -2.673 -0.855 22 1HD2 ASN 13 HD21 ASN 13 15.470 -3.291 -4.107 23 2HD2 ASN 13 HD22 ASN 13 15.615 -5.010 -3.938 24 H ASN 14 HN ASN 14 12.553 -0.331 -0.850 25 HA ASN 14 HA ASN 14 11.067 -1.804 1.106 26 1HB ASN 14 HB2 ASN 14 12.447 0.535 1.238 27 2HB ASN 14 HB3 ASN 14 10.800 1.137 1.133 28 1HD2 ASN 14 HD21 ASN 14 12.860 -1.121 2.884 29 2HD2 ASN 14 HD22 ASN 14 12.008 -0.997 4.386 30 H LEU 15 HN LEU 15 10.231 0.382 -1.545 31 HA LEU 15 HA LEU 15 7.484 0.637 -0.955 32 1HB LEU 15 HB2 LEU 15 9.129 1.683 -2.847 33 2HB LEU 15 HB3 LEU 15 8.223 0.524 -3.807 34 HG LEU 15 HG LEU 15 6.503 2.156 -2.098 35 1HD1 LEU 15 HD11 LEU 15 8.627 3.465 -3.606 36 2HD1 LEU 15 HD12 LEU 15 7.010 3.992 -4.079 37 3HD1 LEU 15 HD13 LEU 15 7.520 4.121 -2.397 38 1HD2 LEU 15 HD21 LEU 15 5.834 0.670 -4.011 39 2HD2 LEU 15 HD22 LEU 15 5.197 2.315 -4.080 40 3HD2 LEU 15 HD23 LEU 15 6.568 1.850 -5.094 41 H ARG 16 HN ARG 16 9.353 -1.863 -2.491 42 HA ARG 16 HA ARG 16 7.223 -3.319 -3.653 43 1HB ARG 16 HB2 ARG 16 9.815 -3.557 -3.954 44 2HB ARG 16 HB3 ARG 16 9.664 -4.664 -2.598 45 1HG ARG 16 HG2 ARG 16 8.154 -6.062 -3.829 46 2HG ARG 16 HG3 ARG 16 8.127 -4.908 -5.166 47 1HD ARG 16 HD2 ARG 16 9.607 -6.696 -5.740 48 2HD ARG 16 HD3 ARG 16 10.562 -5.243 -5.435 49 HE ARG 16 HE ARG 16 10.223 -7.248 -3.309 50 1HH1 ARG 16 HH12 ARG 16 12.249 -5.442 -5.482 51 2HH1 ARG 16 HH11 ARG 16 13.741 -5.957 -4.760 52 1HH2 ARG 16 HH22 ARG 16 12.159 -7.880 -2.261 53 2HH2 ARG 16 HH21 ARG 16 13.689 -7.323 -2.880 54 H MET 17 HN MET 17 8.744 -3.313 -0.482 55 HA MET 17 HA MET 17 7.324 -5.550 0.567 56 1HB MET 17 HB2 MET 17 9.463 -4.237 1.443 57 2HB MET 17 HB3 MET 17 8.255 -3.332 2.344 58 1HG MET 17 HG2 MET 17 7.419 -5.546 3.211 59 2HG MET 17 HG3 MET 17 8.857 -6.273 2.497 60 1HE MET 17 HE1 MET 17 8.496 -6.672 5.754 61 2HE MET 17 HE2 MET 17 8.545 -5.134 6.616 62 3HE MET 17 HE3 MET 17 7.285 -5.430 5.417 63 H THR 18 HN THR 18 6.752 -2.111 0.370 64 HA THR 18 HA THR 18 4.509 -1.915 2.090 65 HB THR 18 HB THR 18 5.141 -0.241 -0.356 66 HG1 THR 18 HG1 THR 18 6.243 -0.282 2.244 67 1HG2 THR 18 HG21 THR 18 3.918 1.528 0.815 68 2HG2 THR 18 HG22 THR 18 3.572 0.415 2.139 69 3HG2 THR 18 HG23 THR 18 2.891 0.115 0.542 70 H TYR 19 HN TYR 19 4.817 -2.386 -1.418 71 HA TYR 19 HA TYR 19 2.047 -2.560 -1.958 72 1HB TYR 19 HB2 TYR 19 3.546 -2.080 -3.766 73 2HB TYR 19 HB3 TYR 19 4.490 -3.532 -3.446 74 HD1 TYR 19 HD1 TYR 19 1.286 -2.269 -4.769 75 HD2 TYR 19 HD2 TYR 19 3.850 -5.640 -4.354 76 HE1 TYR 19 HE1 TYR 19 -0.070 -3.486 -6.419 77 HE2 TYR 19 HE2 TYR 19 2.503 -6.867 -6.011 78 HH TYR 19 HH TYR 19 0.398 -6.877 -7.036 79 H GLU 20 HN GLU 20 4.525 -5.026 -1.324 80 HA GLU 20 HA GLU 20 2.862 -7.257 -1.740 81 1HB GLU 20 HB2 GLU 20 5.501 -6.754 -0.516 82 2HB GLU 20 HB3 GLU 20 4.678 -8.215 0.019 83 1HG GLU 20 HG2 GLU 20 4.730 -7.744 -2.887 84 2HG GLU 20 HG3 GLU 20 6.276 -8.089 -2.122 85 H ARG 21 HN ARG 21 3.540 -5.324 1.129 86 HA ARG 21 HA ARG 21 2.173 -6.966 2.989 87 1HB ARG 21 HB2 ARG 21 3.807 -5.022 3.448 88 2HB ARG 21 HB3 ARG 21 2.419 -3.969 3.212 89 1HG ARG 21 HG2 ARG 21 1.890 -4.253 5.337 90 2HG ARG 21 HG3 ARG 21 1.587 -5.960 4.999 91 1HD ARG 21 HD2 ARG 21 3.147 -5.999 6.735 92 2HD ARG 21 HD3 ARG 21 4.110 -6.280 5.289 93 HE ARG 21 HE ARG 21 5.264 -4.383 5.773 94 1HH1 ARG 21 HH12 ARG 21 2.141 -4.123 7.375 95 2HH1 ARG 21 HH11 ARG 21 2.551 -2.615 8.152 96 1HH2 ARG 21 HH22 ARG 21 5.758 -2.394 6.843 97 2HH2 ARG 21 HH21 ARG 21 4.551 -1.668 7.873 98 H LEU 22 HN LEU 22 1.198 -4.521 0.726 99 HA LEU 22 HA LEU 22 -1.469 -4.132 1.739 100 1HB LEU 22 HB2 LEU 22 0.133 -3.344 -0.642 101 2HB LEU 22 HB3 LEU 22 -1.608 -3.313 -0.810 102 HG LEU 22 HG LEU 22 -0.316 -1.903 1.487 103 1HD1 LEU 22 HD11 LEU 22 -0.841 -0.434 -1.040 104 2HD1 LEU 22 HD12 LEU 22 0.287 -0.071 0.264 105 3HD1 LEU 22 HD13 LEU 22 0.663 -1.345 -0.899 106 1HD2 LEU 22 HD21 LEU 22 -2.931 -2.065 0.165 107 2HD2 LEU 22 HD22 LEU 22 -2.515 -1.593 1.817 108 3HD2 LEU 22 HD23 LEU 22 -2.389 -0.419 0.508 109 H ARG 23 HN ARG 23 0.062 -6.162 -0.704 110 HA ARG 23 HA ARG 23 -2.404 -7.143 -1.774 111 1HB ARG 23 HB2 ARG 23 -0.072 -7.091 -2.888 112 2HB ARG 23 HB3 ARG 23 0.244 -8.561 -1.974 113 1HG ARG 23 HG2 ARG 23 -2.040 -9.305 -3.071 114 2HG ARG 23 HG3 ARG 23 -1.583 -8.100 -4.273 115 1HD ARG 23 HD2 ARG 23 0.234 -9.293 -4.985 116 2HD ARG 23 HD3 ARG 23 0.484 -10.053 -3.414 117 HE ARG 23 HE ARG 23 -1.752 -10.822 -5.186 118 1HH1 ARG 23 HH12 ARG 23 0.922 -11.633 -3.069 119 2HH1 ARG 23 HH11 ARG 23 0.754 -13.349 -3.296 120 1HH2 ARG 23 HH22 ARG 23 -2.028 -13.070 -5.435 121 2HH2 ARG 23 HH21 ARG 23 -0.925 -14.168 -4.655 122 H GLU 24 HN GLU 24 -0.072 -8.270 0.617 123 HA GLU 24 HA GLU 24 -1.301 -10.781 1.058 124 1HB GLU 24 HB2 GLU 24 1.048 -9.808 1.789 125 2HB GLU 24 HB3 GLU 24 0.163 -9.369 3.245 126 1HG GLU 24 HG2 GLU 24 1.330 -11.529 3.409 127 2HG GLU 24 HG3 GLU 24 -0.407 -11.652 3.670 128 H LEU 25 HN LEU 25 -1.745 -7.566 2.361 129 HA LEU 25 HA LEU 25 -3.570 -8.330 4.440 130 1HB LEU 25 HB2 LEU 25 -2.095 -6.087 3.873 131 2HB LEU 25 HB3 LEU 25 -3.698 -5.581 3.387 132 HG LEU 25 HG LEU 25 -2.555 -5.815 6.034 133 1HD1 LEU 25 HD11 LEU 25 -5.122 -4.689 6.096 134 2HD1 LEU 25 HD12 LEU 25 -3.566 -3.856 6.059 135 3HD1 LEU 25 HD13 LEU 25 -4.400 -4.224 4.553 136 1HD2 LEU 25 HD21 LEU 25 -4.977 -7.429 5.413 137 2HD2 LEU 25 HD22 LEU 25 -3.660 -7.763 6.533 138 3HD2 LEU 25 HD23 LEU 25 -4.889 -6.570 6.952 139 H SER 26 HN SER 26 -3.766 -7.305 1.091 140 HA SER 26 HA SER 26 -6.551 -6.811 1.007 141 1HB SER 26 HB2 SER 26 -4.318 -6.925 -0.897 142 2HB SER 26 HB3 SER 26 -5.831 -7.496 -1.577 143 HG SER 26 HG SER 26 -5.164 -4.961 -0.610 144 H LEU 27 HN LEU 27 -4.564 -9.670 0.391 145 HA LEU 27 HA LEU 27 -6.781 -11.260 -0.496 146 1HB LEU 27 HB2 LEU 27 -3.896 -11.657 -0.038 147 2HB LEU 27 HB3 LEU 27 -4.897 -13.086 0.149 148 HG LEU 27 HG LEU 27 -5.850 -12.397 -2.190 149 1HD1 LEU 27 HD11 LEU 27 -4.800 -10.802 -3.353 150 2HD1 LEU 27 HD12 LEU 27 -4.038 -10.322 -1.835 151 3HD1 LEU 27 HD13 LEU 27 -3.209 -11.432 -2.928 152 1HD2 LEU 27 HD21 LEU 27 -3.085 -13.551 -1.844 153 2HD2 LEU 27 HD22 LEU 27 -4.604 -14.437 -1.719 154 3HD2 LEU 27 HD23 LEU 27 -4.116 -13.742 -3.265 155 H ASN 28 HN ASN 28 -5.194 -10.585 2.513 156 HA ASN 28 HA ASN 28 -6.393 -12.735 3.972 157 1HB ASN 28 HB2 ASN 28 -4.264 -11.236 4.476 158 2HB ASN 28 HB3 ASN 28 -5.448 -10.258 5.335 159 1HD2 ASN 28 HD21 ASN 28 -3.724 -13.222 5.226 160 2HD2 ASN 28 HD22 ASN 28 -4.160 -13.782 6.812 161 H LEU 29 HN LEU 29 -6.897 -9.203 4.035 162 HA LEU 29 HA LEU 29 -9.186 -9.254 5.663 163 1HB LEU 29 HB2 LEU 29 -8.179 -7.255 3.657 164 2HB LEU 29 HB3 LEU 29 -9.651 -6.990 4.572 165 HG LEU 29 HG LEU 29 -6.971 -7.475 5.860 166 1HD1 LEU 29 HD11 LEU 29 -8.213 -5.021 4.749 167 2HD1 LEU 29 HD12 LEU 29 -7.390 -4.882 6.303 168 3HD1 LEU 29 HD13 LEU 29 -6.509 -5.467 4.886 169 1HD2 LEU 29 HD21 LEU 29 -9.538 -7.549 6.904 170 2HD2 LEU 29 HD22 LEU 29 -8.037 -7.349 7.810 171 3HD2 LEU 29 HD23 LEU 29 -8.957 -5.933 7.304 172 H GLY 30 HN GLY 30 -8.809 -9.444 2.146 173 1HA GLY 30 HA1 GLY 30 -11.548 -9.190 1.509 174 2HA GLY 30 HA2 GLY 30 -10.329 -9.968 0.504 175 H ASN 31 HN ASN 31 -9.514 -12.033 2.053 176 HA ASN 31 HA ASN 31 -11.625 -13.930 1.746 177 1HB ASN 31 HB2 ASN 31 -9.148 -14.381 1.484 178 2HB ASN 31 HB3 ASN 31 -9.012 -14.266 3.233 179 1HD2 ASN 31 HD21 ASN 31 -8.217 -16.347 3.292 180 2HD2 ASN 31 HD22 ASN 31 -9.250 -17.728 3.124 181 H ARG 32 HN ARG 32 -10.811 -11.728 4.132 182 HA ARG 32 HA ARG 32 -11.914 -13.226 6.378 183 1HB ARG 32 HB2 ARG 32 -9.853 -11.664 6.464 184 2HB ARG 32 HB3 ARG 32 -11.014 -10.350 6.397 185 1HG ARG 32 HG2 ARG 32 -12.056 -11.729 8.432 186 2HG ARG 32 HG3 ARG 32 -10.361 -12.190 8.601 187 1HD ARG 32 HD2 ARG 32 -10.638 -10.254 9.934 188 2HD ARG 32 HD3 ARG 32 -9.798 -9.731 8.473 189 HE ARG 32 HE ARG 32 -12.009 -8.913 7.669 190 1HH1 ARG 32 HH12 ARG 32 -11.407 -9.278 11.115 191 2HH1 ARG 32 HH11 ARG 32 -12.684 -8.200 11.582 192 1HH2 ARG 32 HH22 ARG 32 -13.703 -7.495 8.309 193 2HH2 ARG 32 HH21 ARG 32 -14.005 -7.221 10.002 194 H MET 33 HN MET 33 -13.067 -11.469 3.856 195 HA MET 33 HA MET 33 -15.284 -10.268 5.362 196 1HB MET 33 HB2 MET 33 -13.807 -9.442 3.051 197 2HB MET 33 HB3 MET 33 -15.485 -9.687 2.592 198 1HG MET 33 HG2 MET 33 -16.222 -7.935 3.792 199 2HG MET 33 HG3 MET 33 -15.067 -8.200 5.091 200 1HE MET 33 HE1 MET 33 -15.068 -5.015 2.074 201 2HE MET 33 HE2 MET 33 -16.336 -6.105 2.634 202 3HE MET 33 HE3 MET 33 -15.625 -4.924 3.743 203 H VAL 34 HN VAL 34 -17.471 -10.442 4.285 204 HA VAL 34 HA VAL 34 -17.789 -13.036 2.912 205 HB VAL 34 HB VAL 34 -19.624 -12.039 5.104 206 1HG1 VAL 34 HG11 VAL 34 -21.022 -13.335 3.888 207 2HG1 VAL 34 HG12 VAL 34 -19.711 -14.261 3.161 208 3HG1 VAL 34 HG13 VAL 34 -20.240 -14.622 4.807 209 1HG2 VAL 34 HG21 VAL 34 -17.170 -13.075 5.552 210 2HG2 VAL 34 HG22 VAL 34 -18.539 -13.279 6.645 211 3HG2 VAL 34 HG23 VAL 34 -18.137 -14.548 5.494 212 HA PRO 35 HA PRO 35 -18.353 -13.750 1.283 213 1HB PRO 35 HB2 PRO 35 -18.226 -13.451 -1.397 214 2HB PRO 35 HB3 PRO 35 -19.697 -13.981 -0.570 215 1HG PRO 35 HG2 PRO 35 -18.994 -11.283 -1.652 216 2HG PRO 35 HG3 PRO 35 -20.548 -12.133 -1.678 217 1HD PRO 35 HD2 PRO 35 -19.894 -10.145 0.114 218 2HD PRO 35 HD3 PRO 35 -21.119 -11.396 0.402 219 HA PRO 36 HA PRO 36 -14.169 -12.375 1.212 220 1HB PRO 36 HB2 PRO 36 -13.024 -14.283 -0.449 221 2HB PRO 36 HB3 PRO 36 -13.302 -14.471 1.284 222 1HG PRO 36 HG2 PRO 36 -14.921 -15.436 -1.020 223 2HG PRO 36 HG3 PRO 36 -14.572 -16.240 0.520 224 1HD PRO 36 HD2 PRO 36 -16.952 -15.092 0.043 225 2HD PRO 36 HD3 PRO 36 -16.204 -15.037 1.656 226 H VAL 37 HN VAL 37 -13.243 -10.800 0.176 227 HA VAL 37 HA VAL 37 -13.850 -10.387 -2.649 228 HB VAL 37 HB VAL 37 -12.298 -8.302 -1.313 229 1HG1 VAL 37 HG11 VAL 37 -15.021 -7.909 -2.453 230 2HG1 VAL 37 HG12 VAL 37 -13.602 -6.865 -2.517 231 3HG1 VAL 37 HG13 VAL 37 -13.680 -8.305 -3.530 232 1HG2 VAL 37 HG21 VAL 37 -13.407 -8.061 0.576 233 2HG2 VAL 37 HG22 VAL 37 -14.898 -7.833 -0.337 234 3HG2 VAL 37 HG23 VAL 37 -14.424 -9.447 0.186 235 H GLY 38 HN GLY 38 -12.413 -11.444 -3.880 236 1HA GLY 38 HA1 GLY 38 -9.710 -11.952 -3.159 237 2HA GLY 38 HA2 GLY 38 -10.421 -12.178 -4.748 238 H ASN 39 HN ASN 39 -11.300 -9.363 -4.783 239 HA ASN 39 HA ASN 39 -8.698 -8.162 -5.402 240 1HB ASN 39 HB2 ASN 39 -9.768 -6.849 -7.144 241 2HB ASN 39 HB3 ASN 39 -10.116 -8.550 -7.404 242 1HD2 ASN 39 HD21 ASN 39 -12.246 -9.324 -6.671 243 2HD2 ASN 39 HD22 ASN 39 -13.588 -8.232 -6.765 244 H PHE 40 HN PHE 40 -9.369 -8.039 -2.871 245 HA PHE 40 HA PHE 40 -11.013 -6.192 -1.744 246 1HB PHE 40 HB2 PHE 40 -9.405 -7.684 -0.566 247 2HB PHE 40 HB3 PHE 40 -8.104 -6.599 -1.028 248 HD1 PHE 40 HD1 PHE 40 -7.300 -5.480 0.765 249 HD2 PHE 40 HD2 PHE 40 -11.505 -6.080 0.470 250 HE1 PHE 40 HE1 PHE 40 -7.593 -4.245 2.863 251 HE2 PHE 40 HE2 PHE 40 -11.830 -4.833 2.575 252 HZ PHE 40 HZ PHE 40 -9.880 -3.911 3.772 253 H MET 41 HN MET 41 -7.765 -5.494 -3.004 254 HA MET 41 HA MET 41 -8.647 -2.771 -3.602 255 1HB MET 41 HB2 MET 41 -7.202 -2.979 -1.436 256 2HB MET 41 HB3 MET 41 -5.874 -3.282 -2.553 257 1HG MET 41 HG2 MET 41 -6.112 -0.910 -1.803 258 2HG MET 41 HG3 MET 41 -6.092 -1.149 -3.548 259 1HE MET 41 HE1 MET 41 -9.422 0.322 -0.867 260 2HE MET 41 HE2 MET 41 -7.866 -0.388 -0.429 261 3HE MET 41 HE3 MET 41 -7.939 1.240 -1.112 262 HA PRO 42 HA PRO 42 -7.183 -4.278 -7.552 263 1HB PRO 42 HB2 PRO 42 -7.153 -1.366 -8.154 264 2HB PRO 42 HB3 PRO 42 -7.927 -2.690 -9.029 265 1HG PRO 42 HG2 PRO 42 -9.373 -1.024 -7.550 266 2HG PRO 42 HG3 PRO 42 -9.742 -2.758 -7.589 267 1HD PRO 42 HD2 PRO 42 -8.362 -1.158 -5.483 268 2HD PRO 42 HD3 PRO 42 -9.513 -2.499 -5.312 269 H ASP 43 HN ASP 43 -5.269 -4.455 -8.610 270 HA ASP 43 HA ASP 43 -2.883 -3.976 -7.322 271 1HB ASP 43 HB2 ASP 43 -2.847 -5.588 -9.038 272 2HB ASP 43 HB3 ASP 43 -3.550 -4.481 -10.213 273 H SER 44 HN SER 44 -4.519 -1.963 -9.716 274 HA SER 44 HA SER 44 -2.468 -0.095 -10.096 275 1HB SER 44 HB2 SER 44 -4.856 1.292 -10.448 276 2HB SER 44 HB3 SER 44 -3.963 0.399 -11.683 277 HG SER 44 HG SER 44 -5.527 -0.983 -11.729 278 H ILE 45 HN ILE 45 -5.152 -0.201 -7.788 279 HA ILE 45 HA ILE 45 -4.561 2.347 -6.635 280 HB ILE 45 HB ILE 45 -6.152 0.098 -5.402 281 1HG1 ILE 45 HG12 ILE 45 -6.882 0.914 -7.739 282 2HG1 ILE 45 HG13 ILE 45 -8.090 0.893 -6.468 283 1HG2 ILE 45 HG21 ILE 45 -7.316 2.223 -4.398 284 2HG2 ILE 45 HG22 ILE 45 -5.845 1.579 -3.673 285 3HG2 ILE 45 HG23 ILE 45 -5.758 2.982 -4.741 286 1HD1 ILE 45 HD11 ILE 45 -7.227 3.069 -8.092 287 2HD1 ILE 45 HD12 ILE 45 -8.521 3.023 -6.888 288 3HD1 ILE 45 HD13 ILE 45 -6.881 3.436 -6.405 289 H LEU 46 HN LEU 46 -3.712 -0.990 -5.876 290 HA LEU 46 HA LEU 46 -2.602 -0.529 -3.338 291 1HB LEU 46 HB2 LEU 46 -1.911 -2.593 -5.426 292 2HB LEU 46 HB3 LEU 46 -1.217 -2.576 -3.817 293 HG LEU 46 HG LEU 46 -4.177 -2.815 -4.343 294 1HD1 LEU 46 HD11 LEU 46 -3.798 -5.221 -3.724 295 2HD1 LEU 46 HD12 LEU 46 -3.225 -4.738 -5.318 296 3HD1 LEU 46 HD13 LEU 46 -2.075 -4.936 -3.992 297 1HD2 LEU 46 HD21 LEU 46 -3.908 -2.097 -2.149 298 2HD2 LEU 46 HD22 LEU 46 -4.002 -3.855 -1.999 299 3HD2 LEU 46 HD23 LEU 46 -2.436 -3.041 -1.917 300 H LYS 47 HN LYS 47 -1.272 -0.280 -6.573 301 HA LYS 47 HA LYS 47 1.414 0.097 -5.778 302 1HB LYS 47 HB2 LYS 47 -0.106 0.584 -8.313 303 2HB LYS 47 HB3 LYS 47 1.560 1.119 -8.152 304 1HG LYS 47 HG2 LYS 47 2.365 -1.054 -7.905 305 2HG LYS 47 HG3 LYS 47 0.771 -1.699 -7.526 306 1HD LYS 47 HD2 LYS 47 0.115 -1.738 -9.719 307 2HD LYS 47 HD3 LYS 47 1.191 -0.414 -10.174 308 1HE LYS 47 HE2 LYS 47 2.774 -1.841 -10.790 309 2HE LYS 47 HE3 LYS 47 2.721 -2.649 -9.225 310 1HZ LYS 47 HZ1 LYS 47 0.557 -3.683 -10.299 311 2HZ LYS 47 HZ2 LYS 47 2.086 -4.365 -10.541 312 3HZ LYS 47 HZ3 LYS 47 1.404 -3.361 -11.733 313 H LYS 48 HN LYS 48 -1.098 2.484 -6.715 314 HA LYS 48 HA LYS 48 0.643 4.711 -6.384 315 1HB LYS 48 HB2 LYS 48 -1.674 5.937 -6.097 316 2HB LYS 48 HB3 LYS 48 -1.148 5.343 -7.664 317 1HG LYS 48 HG2 LYS 48 -2.520 3.341 -7.355 318 2HG LYS 48 HG3 LYS 48 -3.043 3.942 -5.783 319 1HD LYS 48 HD2 LYS 48 -4.787 4.549 -7.180 320 2HD LYS 48 HD3 LYS 48 -3.831 6.025 -7.073 321 1HE LYS 48 HE2 LYS 48 -2.736 5.405 -9.218 322 2HE LYS 48 HE3 LYS 48 -3.825 4.022 -9.324 323 1HZ LYS 48 HZ1 LYS 48 -5.246 6.457 -8.860 324 2HZ LYS 48 HZ2 LYS 48 -5.448 5.315 -10.098 325 3HZ LYS 48 HZ3 LYS 48 -4.301 6.555 -10.263 326 H MET 49 HN MET 49 -1.685 3.140 -4.261 327 HA MET 49 HA MET 49 -1.465 4.999 -2.154 328 1HB MET 49 HB2 MET 49 -3.138 3.792 -1.297 329 2HB MET 49 HB3 MET 49 -3.026 2.777 -2.726 330 1HG MET 49 HG2 MET 49 -2.165 1.053 -1.592 331 2HG MET 49 HG3 MET 49 -1.161 2.080 -0.570 332 1HE MET 49 HE1 MET 49 -4.605 1.084 -1.517 333 2HE MET 49 HE2 MET 49 -4.472 -0.230 -0.348 334 3HE MET 49 HE3 MET 49 -5.579 1.109 -0.044 335 H ALA 50 HN ALA 50 0.477 2.252 -3.106 336 HA ALA 50 HA ALA 50 1.921 2.116 -0.610 337 1HB ALA 50 HB1 ALA 50 3.487 0.818 -2.439 338 2HB ALA 50 HB2 ALA 50 2.189 0.077 -1.503 339 3HB ALA 50 HB3 ALA 50 1.879 0.648 -3.141 340 H ALA 51 HN ALA 51 2.251 3.764 -3.658 341 HA ALA 51 HA ALA 51 4.999 4.482 -3.226 342 1HB ALA 51 HB1 ALA 51 3.759 6.167 -5.158 343 2HB ALA 51 HB2 ALA 51 4.945 4.880 -5.392 344 3HB ALA 51 HB3 ALA 51 3.222 4.506 -5.405 345 H ILE 52 HN ILE 52 1.887 6.191 -3.066 346 HA ILE 52 HA ILE 52 3.132 8.641 -2.178 347 HB ILE 52 HB ILE 52 0.320 7.743 -2.695 348 1HG1 ILE 52 HG12 ILE 52 0.584 10.136 -3.898 349 2HG1 ILE 52 HG13 ILE 52 2.279 9.666 -3.834 350 1HG2 ILE 52 HG21 ILE 52 -0.104 8.899 -0.713 351 2HG2 ILE 52 HG22 ILE 52 1.121 10.121 -1.048 352 3HG2 ILE 52 HG23 ILE 52 -0.385 10.100 -1.973 353 1HD1 ILE 52 HD11 ILE 52 1.711 7.574 -4.996 354 2HD1 ILE 52 HD12 ILE 52 0.040 8.122 -5.120 355 3HD1 ILE 52 HD13 ILE 52 1.321 9.011 -5.940 356 H LEU 53 HN LEU 53 1.361 5.974 -0.788 357 HA LEU 53 HA LEU 53 0.890 5.305 1.320 358 1HB LEU 53 HB2 LEU 53 3.548 6.620 1.555 359 2HB LEU 53 HB3 LEU 53 2.721 6.171 3.030 360 HG LEU 53 HG LEU 53 3.538 4.321 0.794 361 1HD1 LEU 53 HD11 LEU 53 5.110 5.277 2.726 362 2HD1 LEU 53 HD12 LEU 53 4.389 3.918 3.592 363 3HD1 LEU 53 HD13 LEU 53 5.263 3.642 2.085 364 1HD2 LEU 53 HD21 LEU 53 2.028 2.853 1.487 365 2HD2 LEU 53 HD22 LEU 53 2.631 2.972 3.141 366 3HD2 LEU 53 HD23 LEU 53 1.371 4.072 2.582 367 HA PRO 54 HA PRO 54 -0.946 9.370 2.632 368 1HB PRO 54 HB2 PRO 54 -3.570 8.465 2.000 369 2HB PRO 54 HB3 PRO 54 -2.628 9.685 1.147 370 1HG PRO 54 HG2 PRO 54 -3.356 7.180 0.151 371 2HG PRO 54 HG3 PRO 54 -2.122 8.245 -0.534 372 1HD PRO 54 HD2 PRO 54 -1.820 5.839 1.184 373 2HD PRO 54 HD3 PRO 54 -0.747 6.475 -0.081 374 H MET 55 HN MET 55 -0.693 9.069 4.783 375 HA MET 55 HA MET 55 -1.712 6.861 6.216 376 1HB MET 55 HB2 MET 55 -0.489 7.614 7.935 377 2HB MET 55 HB3 MET 55 0.235 8.614 6.684 378 1HG MET 55 HG2 MET 55 -1.400 10.395 7.288 379 2HG MET 55 HG3 MET 55 -1.882 9.393 8.654 380 1HE MET 55 HE1 MET 55 1.591 8.924 10.399 381 2HE MET 55 HE2 MET 55 0.598 7.992 9.279 382 3HE MET 55 HE3 MET 55 2.077 8.765 8.711 383 H ASN 56 HN ASN 56 -3.312 9.698 5.195 384 HA ASN 56 HA ASN 56 -5.662 8.923 6.686 385 1HB ASN 56 HB2 ASN 56 -4.117 10.666 8.000 386 2HB ASN 56 HB3 ASN 56 -4.999 11.796 6.983 387 1HD2 ASN 56 HD21 ASN 56 -5.244 11.952 9.661 388 2HD2 ASN 56 HD22 ASN 56 -6.822 11.441 10.160 389 H ASP 57 HN ASP 57 -7.323 10.975 6.271 390 HA ASP 57 HA ASP 57 -7.835 10.845 3.487 391 1HB ASP 57 HB2 ASP 57 -9.383 11.394 5.676 392 2HB ASP 57 HB3 ASP 57 -9.168 13.003 4.991 393 H SER 58 HN SER 58 -8.529 13.201 2.543 394 HA SER 58 HA SER 58 -7.822 15.152 1.644 395 1HB SER 58 HB2 SER 58 -5.687 15.418 3.726 396 2HB SER 58 HB3 SER 58 -6.601 16.693 2.919 397 HG SER 58 HG SER 58 -8.475 15.885 4.050 398 H ALA 59 HN ALA 59 -5.057 13.200 2.763 399 HA ALA 59 HA ALA 59 -3.401 13.957 0.531 400 1HB ALA 59 HB1 ALA 59 -3.006 12.649 2.981 401 2HB ALA 59 HB2 ALA 59 -2.603 11.466 1.737 402 3HB ALA 59 HB3 ALA 59 -1.787 13.030 1.764 403 H PHE 60 HN PHE 60 -5.708 11.498 1.278 404 HA PHE 60 HA PHE 60 -5.175 9.491 -0.541 405 1HB PHE 60 HB2 PHE 60 -7.442 10.393 1.052 406 2HB PHE 60 HB3 PHE 60 -7.949 9.635 -0.451 407 HD1 PHE 60 HD1 PHE 60 -8.530 8.543 2.269 408 HD2 PHE 60 HD2 PHE 60 -5.285 7.914 -0.401 409 HE1 PHE 60 HE1 PHE 60 -8.161 6.313 3.248 410 HE2 PHE 60 HE2 PHE 60 -4.896 5.700 0.568 411 HZ PHE 60 HZ PHE 60 -6.329 4.892 2.387 412 H ALA 61 HN ALA 61 -6.444 12.651 -1.139 413 HA ALA 61 HA ALA 61 -7.745 12.228 -3.580 414 1HB ALA 61 HB1 ALA 61 -8.207 14.340 -3.041 415 2HB ALA 61 HB2 ALA 61 -6.772 14.469 -2.027 416 3HB ALA 61 HB3 ALA 61 -6.650 14.754 -3.761 417 H THR 62 HN THR 62 -4.364 12.296 -2.809 418 HA THR 62 HA THR 62 -3.411 12.969 -5.415 419 HB THR 62 HB THR 62 -1.235 12.152 -4.619 420 HG1 THR 62 HG1 THR 62 -2.513 11.641 -2.127 421 1HG2 THR 62 HG21 THR 62 -0.854 13.896 -3.091 422 2HG2 THR 62 HG22 THR 62 -2.503 13.825 -2.466 423 3HG2 THR 62 HG23 THR 62 -2.197 14.446 -4.087 424 H LEU 63 HN LEU 63 -4.829 10.165 -4.175 425 HA LEU 63 HA LEU 63 -3.385 8.242 -5.740 426 1HB LEU 63 HB2 LEU 63 -6.027 8.121 -4.272 427 2HB LEU 63 HB3 LEU 63 -5.366 6.757 -5.150 428 HG LEU 63 HG LEU 63 -4.332 8.040 -2.639 429 1HD1 LEU 63 HD11 LEU 63 -5.207 5.269 -3.420 430 2HD1 LEU 63 HD12 LEU 63 -4.385 5.642 -1.905 431 3HD1 LEU 63 HD13 LEU 63 -5.956 6.360 -2.255 432 1HD2 LEU 63 HD21 LEU 63 -2.863 6.294 -4.598 433 2HD2 LEU 63 HD22 LEU 63 -2.333 7.802 -3.846 434 3HD2 LEU 63 HD23 LEU 63 -2.450 6.330 -2.880 435 H GLY 64 HN GLY 64 -5.593 10.632 -6.494 436 1HA GLY 64 HA1 GLY 64 -6.049 10.951 -8.880 437 2HA GLY 64 HA2 GLY 64 -6.329 9.219 -8.981 438 H THR 65 HN THR 65 -8.363 8.535 -8.881 439 HA THR 65 HA THR 65 -10.331 10.237 -7.533 440 HB THR 65 HB THR 65 -11.842 9.218 -9.538 441 HG1 THR 65 HG1 THR 65 -10.568 8.628 -11.120 442 1HG2 THR 65 HG21 THR 65 -10.832 11.640 -10.553 443 2HG2 THR 65 HG22 THR 65 -10.731 11.762 -8.794 444 3HG2 THR 65 HG23 THR 65 -12.273 11.403 -9.565 445 H VAL 66 HN VAL 66 -9.810 8.513 -5.854 446 HA VAL 66 HA VAL 66 -10.759 5.870 -6.395 447 HB VAL 66 HB VAL 66 -10.589 5.448 -3.966 448 1HG1 VAL 66 HG11 VAL 66 -8.098 6.905 -4.754 449 2HG1 VAL 66 HG12 VAL 66 -8.282 5.391 -3.872 450 3HG1 VAL 66 HG13 VAL 66 -8.596 5.439 -5.607 451 1HG2 VAL 66 HG21 VAL 66 -11.062 8.073 -3.590 452 2HG2 VAL 66 HG22 VAL 66 -10.316 7.024 -2.383 453 3HG2 VAL 66 HG23 VAL 66 -9.306 8.040 -3.410 454 H GLU 67 HN GLU 67 -12.748 5.092 -6.269 455 HA GLU 67 HA GLU 67 -14.966 6.810 -5.986 456 1HB GLU 67 HB2 GLU 67 -14.531 4.274 -6.982 457 2HB GLU 67 HB3 GLU 67 -15.510 3.968 -5.554 458 1HG GLU 67 HG2 GLU 67 -16.539 6.151 -7.171 459 2HG GLU 67 HG3 GLU 67 -16.417 4.630 -8.055 460 H ASP 68 HN ASP 68 -16.709 6.552 -4.435 461 HA ASP 68 HA ASP 68 -15.872 6.802 -1.770 462 1HB ASP 68 HB2 ASP 68 -17.999 7.743 -2.721 463 2HB ASP 68 HB3 ASP 68 -18.662 6.111 -2.715 464 H LYS 69 HN LYS 69 -17.032 4.108 -3.658 465 HA LYS 69 HA LYS 69 -17.438 2.271 -1.549 466 1HB LYS 69 HB2 LYS 69 -17.945 0.791 -3.190 467 2HB LYS 69 HB3 LYS 69 -17.939 2.226 -4.207 468 1HG LYS 69 HG2 LYS 69 -15.295 1.400 -4.201 469 2HG LYS 69 HG3 LYS 69 -16.223 -0.105 -4.279 470 1HD LYS 69 HD2 LYS 69 -16.584 2.271 -6.107 471 2HD LYS 69 HD3 LYS 69 -15.681 0.813 -6.512 472 1HE LYS 69 HE2 LYS 69 -17.552 -0.401 -6.882 473 2HE LYS 69 HE3 LYS 69 -18.440 0.374 -5.569 474 1HZ LYS 69 HZ1 LYS 69 -17.884 1.657 -8.193 475 2HZ LYS 69 HZ2 LYS 69 -18.870 2.267 -6.952 476 3HZ LYS 69 HZ3 LYS 69 -19.341 0.883 -7.802 477 H TYR 70 HN TYR 70 -14.582 3.407 -3.205 478 HA TYR 70 HA TYR 70 -12.876 1.309 -2.202 479 1HB TYR 70 HB2 TYR 70 -12.365 3.912 -3.630 480 2HB TYR 70 HB3 TYR 70 -11.045 2.922 -3.009 481 HD1 TYR 70 HD1 TYR 70 -13.662 3.210 -5.536 482 HD2 TYR 70 HD2 TYR 70 -10.553 0.750 -4.008 483 HE1 TYR 70 HE1 TYR 70 -13.743 1.854 -7.587 484 HE2 TYR 70 HE2 TYR 70 -10.624 -0.611 -6.049 485 HH TYR 70 HH TYR 70 -12.615 -1.088 -7.870 486 H ARG 71 HN ARG 71 -13.772 4.587 -1.351 487 HA ARG 71 HA ARG 71 -11.887 5.028 0.713 488 1HB ARG 71 HB2 ARG 71 -14.195 6.350 -0.373 489 2HB ARG 71 HB3 ARG 71 -14.304 6.356 1.371 490 1HG ARG 71 HG2 ARG 71 -12.970 8.118 1.395 491 2HG ARG 71 HG3 ARG 71 -11.669 7.089 0.780 492 1HD ARG 71 HD2 ARG 71 -12.172 7.616 -1.440 493 2HD ARG 71 HD3 ARG 71 -13.724 8.325 -1.018 494 HE ARG 71 HE ARG 71 -11.658 9.764 0.241 495 1HH1 ARG 71 HH12 ARG 71 -13.027 9.169 -2.914 496 2HH1 ARG 71 HH11 ARG 71 -12.591 10.713 -3.548 497 1HH2 ARG 71 HH22 ARG 71 -10.971 11.790 -0.621 498 2HH2 ARG 71 HH21 ARG 71 -11.387 12.204 -2.256 499 H ARG 72 HN ARG 72 -14.988 3.454 0.576 500 HA ARG 72 HA ARG 72 -15.623 3.183 3.268 501 1HB ARG 72 HB2 ARG 72 -16.415 2.000 0.745 502 2HB ARG 72 HB3 ARG 72 -16.478 0.828 2.055 503 1HG ARG 72 HG2 ARG 72 -18.413 1.656 2.625 504 2HG ARG 72 HG3 ARG 72 -17.625 3.170 3.051 505 1HD ARG 72 HD2 ARG 72 -19.076 3.994 1.496 506 2HD ARG 72 HD3 ARG 72 -17.766 3.510 0.417 507 HE ARG 72 HE ARG 72 -19.597 1.373 0.798 508 1HH1 ARG 72 HH12 ARG 72 -19.377 4.484 -0.832 509 2HH1 ARG 72 HH11 ARG 72 -20.337 3.971 -2.189 510 1HH2 ARG 72 HH22 ARG 72 -20.905 0.731 -0.945 511 2HH2 ARG 72 HH21 ARG 72 -21.227 1.841 -2.247 512 H ARG 73 HN ARG 73 -14.257 0.557 1.266 513 HA ARG 73 HA ARG 73 -13.419 -0.864 3.603 514 1HB ARG 73 HB2 ARG 73 -13.128 -2.630 2.224 515 2HB ARG 73 HB3 ARG 73 -14.062 -1.647 1.108 516 1HG ARG 73 HG2 ARG 73 -11.073 -1.483 1.134 517 2HG ARG 73 HG3 ARG 73 -11.902 -2.797 0.294 518 1HD ARG 73 HD2 ARG 73 -12.211 0.157 -0.175 519 2HD ARG 73 HD3 ARG 73 -11.453 -1.013 -1.262 520 HE ARG 73 HE ARG 73 -14.324 -0.661 -0.780 521 1HH1 ARG 73 HH12 ARG 73 -11.775 -2.394 -2.451 522 2HH1 ARG 73 HH11 ARG 73 -12.848 -3.082 -3.634 523 1HH2 ARG 73 HH22 ARG 73 -15.738 -1.602 -2.303 524 2HH2 ARG 73 HH21 ARG 73 -15.090 -2.623 -3.553 525 H PHE 74 HN PHE 74 -12.209 1.786 2.136 526 HA PHE 74 HA PHE 74 -9.415 1.309 2.035 527 1HB PHE 74 HB2 PHE 74 -11.130 3.534 1.666 528 2HB PHE 74 HB3 PHE 74 -9.941 4.004 2.873 529 HD1 PHE 74 HD1 PHE 74 -10.321 5.105 0.032 530 HD2 PHE 74 HD2 PHE 74 -7.755 2.135 1.675 531 HE1 PHE 74 HE1 PHE 74 -8.705 5.496 -1.785 532 HE2 PHE 74 HE2 PHE 74 -6.134 2.527 -0.132 533 HZ PHE 74 HZ PHE 74 -6.555 4.353 -1.781 534 H LYS 75 HN LYS 75 -11.601 2.176 4.618 535 HA LYS 75 HA LYS 75 -9.832 3.001 6.584 536 1HB LYS 75 HB2 LYS 75 -11.558 2.352 8.184 537 2HB LYS 75 HB3 LYS 75 -12.274 3.141 6.781 538 1HG LYS 75 HG2 LYS 75 -12.956 1.029 5.866 539 2HG LYS 75 HG3 LYS 75 -12.118 0.164 7.164 540 1HD LYS 75 HD2 LYS 75 -13.908 2.101 8.282 541 2HD LYS 75 HD3 LYS 75 -14.780 1.071 7.146 542 1HE LYS 75 HE2 LYS 75 -14.974 -0.128 9.108 543 2HE LYS 75 HE3 LYS 75 -13.541 -0.865 8.386 544 1HZ LYS 75 HZ1 LYS 75 -13.630 0.031 10.879 545 2HZ LYS 75 HZ2 LYS 75 -13.057 1.428 10.106 546 3HZ LYS 75 HZ3 LYS 75 -12.200 -0.026 9.970 547 H TYR 76 HN TYR 76 -10.333 -0.206 5.341 548 HA TYR 76 HA TYR 76 -9.282 -1.569 7.639 549 1HB TYR 76 HB2 TYR 76 -9.878 -2.454 4.819 550 2HB TYR 76 HB3 TYR 76 -9.159 -3.531 6.012 551 HD1 TYR 76 HD1 TYR 76 -12.184 -2.290 4.666 552 HD2 TYR 76 HD2 TYR 76 -10.456 -3.789 8.250 553 HE1 TYR 76 HE1 TYR 76 -14.430 -2.839 5.504 554 HE2 TYR 76 HE2 TYR 76 -12.695 -4.343 9.101 555 HH TYR 76 HH TYR 76 -15.186 -4.835 7.545 556 H PHE 77 HN PHE 77 -7.877 0.285 5.259 557 HA PHE 77 HA PHE 77 -5.287 -1.114 5.487 558 1HB PHE 77 HB2 PHE 77 -6.548 0.547 3.344 559 2HB PHE 77 HB3 PHE 77 -4.803 0.582 3.500 560 HD1 PHE 77 HD1 PHE 77 -7.213 -0.669 1.583 561 HD2 PHE 77 HD2 PHE 77 -3.959 -2.101 3.920 562 HE1 PHE 77 HE1 PHE 77 -7.072 -2.663 0.150 563 HE2 PHE 77 HE2 PHE 77 -3.820 -4.104 2.494 564 HZ PHE 77 HZ PHE 77 -5.370 -4.383 0.603 565 H LYS 78 HN LYS 78 -7.037 1.696 6.306 566 HA LYS 78 HA LYS 78 -5.225 3.730 6.287 567 1HB LYS 78 HB2 LYS 78 -7.627 3.122 7.880 568 2HB LYS 78 HB3 LYS 78 -6.568 4.376 8.515 569 1HG LYS 78 HG2 LYS 78 -7.029 4.683 5.673 570 2HG LYS 78 HG3 LYS 78 -8.530 4.698 6.606 571 1HD LYS 78 HD2 LYS 78 -7.157 6.323 8.159 572 2HD LYS 78 HD3 LYS 78 -6.217 6.577 6.683 573 1HE LYS 78 HE2 LYS 78 -7.757 8.103 6.151 574 2HE LYS 78 HE3 LYS 78 -8.812 6.733 5.797 575 1HZ LYS 78 HZ1 LYS 78 -9.875 6.917 7.829 576 2HZ LYS 78 HZ2 LYS 78 -9.654 8.534 7.378 577 3HZ LYS 78 HZ3 LYS 78 -8.627 7.825 8.530 578 H ALA 79 HN ALA 79 -5.302 1.104 8.653 579 HA ALA 79 HA ALA 79 -3.443 2.512 10.379 580 1HB ALA 79 HB1 ALA 79 -4.659 1.155 11.727 581 2HB ALA 79 HB2 ALA 79 -4.848 -0.095 10.502 582 3HB ALA 79 HB3 ALA 79 -3.328 0.049 11.386 583 H THR 80 HN THR 80 -3.364 0.098 7.878 584 HA THR 80 HA THR 80 -0.653 -0.687 8.288 585 HB THR 80 HB THR 80 -2.012 -0.995 5.644 586 HG1 THR 80 HG1 THR 80 -2.683 -2.897 7.550 587 1HG2 THR 80 HG21 THR 80 -1.053 -3.436 6.648 588 2HG2 THR 80 HG22 THR 80 0.153 -2.231 7.102 589 3HG2 THR 80 HG23 THR 80 -0.310 -2.424 5.412 590 H ILE 81 HN ILE 81 -2.289 1.514 6.005 591 HA ILE 81 HA ILE 81 -0.010 2.259 4.539 592 HB ILE 81 HB ILE 81 -2.318 4.129 5.107 593 1HG1 ILE 81 HG12 ILE 81 -2.318 2.270 2.745 594 2HG1 ILE 81 HG13 ILE 81 -2.902 1.688 4.301 595 1HG2 ILE 81 HG21 ILE 81 -1.565 4.296 2.452 596 2HG2 ILE 81 HG22 ILE 81 -1.129 5.415 3.743 597 3HG2 ILE 81 HG23 ILE 81 -0.040 4.097 3.313 598 1HD1 ILE 81 HD11 ILE 81 -4.543 2.741 2.558 599 2HD1 ILE 81 HD12 ILE 81 -4.738 3.054 4.284 600 3HD1 ILE 81 HD13 ILE 81 -3.972 4.261 3.248 601 H ALA 82 HN ALA 82 -1.391 3.474 7.538 602 HA ALA 82 HA ALA 82 0.285 5.729 7.820 603 1HB ALA 82 HB1 ALA 82 -0.586 4.456 10.313 604 2HB ALA 82 HB2 ALA 82 -0.868 6.092 9.718 605 3HB ALA 82 HB3 ALA 82 -1.885 4.766 9.162 606 H ASP 83 HN ASP 83 0.491 2.418 9.068 607 HA ASP 83 HA ASP 83 2.923 2.776 10.463 608 1HB ASP 83 HB2 ASP 83 2.075 0.831 11.224 609 2HB ASP 83 HB3 ASP 83 1.146 0.562 9.756 610 H LEU 84 HN LEU 84 2.183 1.662 7.187 611 HA LEU 84 HA LEU 84 4.806 0.970 6.434 612 1HB LEU 84 HB2 LEU 84 2.330 1.742 4.928 613 2HB LEU 84 HB3 LEU 84 3.850 1.541 4.076 614 HG LEU 84 HG LEU 84 2.785 -0.631 5.846 615 1HD1 LEU 84 HD11 LEU 84 0.976 -0.166 4.337 616 2HD1 LEU 84 HD12 LEU 84 2.082 -0.096 2.966 617 3HD1 LEU 84 HD13 LEU 84 1.801 -1.629 3.796 618 1HD2 LEU 84 HD21 LEU 84 4.856 -1.320 5.276 619 2HD2 LEU 84 HD22 LEU 84 4.052 -1.812 3.788 620 3HD2 LEU 84 HD23 LEU 84 4.934 -0.285 3.850 621 H SER 85 HN SER 85 3.101 4.015 6.551 622 HA SER 85 HA SER 85 4.947 5.483 4.974 623 1HB SER 85 HB2 SER 85 2.461 5.971 5.769 624 2HB SER 85 HB3 SER 85 3.314 6.915 6.990 625 HG SER 85 HG SER 85 2.815 7.532 4.448 626 H LYS 86 HN LYS 86 4.725 4.682 8.364 627 HA LYS 86 HA LYS 86 6.813 6.549 9.111 628 1HB LYS 86 HB2 LYS 86 4.869 4.870 10.491 629 2HB LYS 86 HB3 LYS 86 6.455 4.826 11.250 630 1HG LYS 86 HG2 LYS 86 6.456 7.205 11.516 631 2HG LYS 86 HG3 LYS 86 4.972 7.355 10.580 632 1HD LYS 86 HD2 LYS 86 4.739 5.548 12.861 633 2HD LYS 86 HD3 LYS 86 5.133 7.210 13.306 634 1HE LYS 86 HE2 LYS 86 3.234 7.983 11.920 635 2HE LYS 86 HE3 LYS 86 2.810 6.302 11.609 636 1HZ LYS 86 HZ1 LYS 86 2.536 7.878 14.062 637 2HZ LYS 86 HZ2 LYS 86 2.836 6.214 14.216 638 3HZ LYS 86 HZ3 LYS 86 1.465 6.756 13.371 639 H LYS 87 HN LYS 87 6.550 3.240 8.138 640 HA LYS 87 HA LYS 87 9.066 2.400 9.209 641 1HB LYS 87 HB2 LYS 87 7.192 1.203 7.158 642 2HB LYS 87 HB3 LYS 87 8.639 0.410 7.744 643 1HG LYS 87 HG2 LYS 87 6.938 1.287 9.911 644 2HG LYS 87 HG3 LYS 87 6.110 0.195 8.796 645 1HD LYS 87 HD2 LYS 87 7.278 -1.580 9.495 646 2HD LYS 87 HD3 LYS 87 8.806 -0.693 9.484 647 1HE LYS 87 HE2 LYS 87 8.099 -1.504 11.739 648 2HE LYS 87 HE3 LYS 87 8.367 0.234 11.633 649 1HZ LYS 87 HZ1 LYS 87 5.662 -0.357 11.033 650 2HZ LYS 87 HZ2 LYS 87 6.297 0.602 12.283 651 3HZ LYS 87 HZ3 LYS 87 6.086 -1.059 12.520 652 H ARG 88 HN ARG 88 7.834 3.581 6.149 653 HA ARG 88 HA ARG 88 10.336 3.251 4.746 654 1HB ARG 88 HB2 ARG 88 7.690 3.471 3.989 655 2HB ARG 88 HB3 ARG 88 8.362 5.026 3.520 656 1HG ARG 88 HG2 ARG 88 10.095 3.866 2.233 657 2HG ARG 88 HG3 ARG 88 9.371 2.321 2.686 658 1HD ARG 88 HD2 ARG 88 8.298 2.580 0.720 659 2HD ARG 88 HD3 ARG 88 7.203 3.538 1.714 660 HE ARG 88 HE ARG 88 9.404 4.990 0.474 661 1HH1 ARG 88 HH12 ARG 88 6.012 4.125 0.352 662 2HH1 ARG 88 HH11 ARG 88 5.602 5.373 -0.773 663 1HH2 ARG 88 HH22 ARG 88 8.835 6.679 -0.982 664 2HH2 ARG 88 HH21 ARG 88 7.186 6.822 -1.512 665 H SER 89 HN SER 89 10.927 4.744 6.936 666 HA SER 89 HA SER 89 10.889 7.557 6.150 667 1HB SER 89 HB2 SER 89 11.848 6.227 8.691 668 2HB SER 89 HB3 SER 89 11.811 7.964 8.410 669 HG SER 89 HG SER 89 9.702 6.167 8.834 670 H SER 90 HN SER 90 13.316 5.219 7.313 671 HA SER 90 HA SER 90 15.328 6.665 5.714 672 1HB SER 90 HB2 SER 90 16.383 4.911 7.796 673 2HB SER 90 HB3 SER 90 16.745 6.605 7.462 674 HG SER 90 HG SER 90 15.031 5.502 9.297 675 H GLU 91 HN GLU 91 13.540 3.899 5.919 676 HA GLU 91 HA GLU 91 15.489 1.992 5.058 677 1HB GLU 91 HB2 GLU 91 12.506 2.033 5.364 678 2HB GLU 91 HB3 GLU 91 13.252 0.760 4.405 679 1HG GLU 91 HG2 GLU 91 14.626 1.034 6.907 680 2HG GLU 91 HG3 GLU 91 12.894 0.863 7.184 Start of MODEL 8 1 H GLU 11 HN GLU 11 17.715 3.833 -1.906 2 HA GLU 11 HA GLU 11 16.612 3.034 -3.736 3 1HB GLU 11 HB2 GLU 11 19.184 3.074 -4.503 4 2HB GLU 11 HB3 GLU 11 18.916 1.340 -4.597 5 1HG GLU 11 HG2 GLU 11 16.828 2.020 -6.005 6 2HG GLU 11 HG3 GLU 11 17.698 3.544 -6.202 7 H LEU 12 HN LEU 12 16.351 1.774 -1.298 8 HA LEU 12 HA LEU 12 16.520 -1.068 -1.520 9 1HB LEU 12 HB2 LEU 12 15.038 0.697 0.422 10 2HB LEU 12 HB3 LEU 12 15.212 -1.037 0.585 11 HG LEU 12 HG LEU 12 17.720 0.521 0.330 12 1HD1 LEU 12 HD11 LEU 12 16.033 1.740 1.909 13 2HD1 LEU 12 HD12 LEU 12 16.406 0.416 3.015 14 3HD1 LEU 12 HD13 LEU 12 17.695 1.474 2.436 15 1HD2 LEU 12 HD21 LEU 12 16.930 -2.077 1.029 16 2HD2 LEU 12 HD22 LEU 12 18.560 -1.403 1.076 17 3HD2 LEU 12 HD23 LEU 12 17.532 -1.342 2.513 18 H ASN 13 HN ASN 13 14.496 -2.379 -1.020 19 HA ASN 13 HA ASN 13 12.485 -1.739 -3.030 20 1HB ASN 13 HB2 ASN 13 13.656 -4.160 -1.957 21 2HB ASN 13 HB3 ASN 13 11.901 -4.235 -1.861 22 1HD2 ASN 13 HD21 ASN 13 12.207 -5.990 -3.405 23 2HD2 ASN 13 HD22 ASN 13 12.339 -5.606 -5.089 24 H ASN 14 HN ASN 14 12.328 -0.043 -0.974 25 HA ASN 14 HA ASN 14 10.664 -0.861 1.166 26 1HB ASN 14 HB2 ASN 14 12.126 1.191 1.158 27 2HB ASN 14 HB3 ASN 14 10.985 1.934 0.046 28 1HD2 ASN 14 HD21 ASN 14 11.460 0.767 3.308 29 2HD2 ASN 14 HD22 ASN 14 10.111 1.604 3.999 30 H LEU 15 HN LEU 15 10.031 0.760 -1.939 31 HA LEU 15 HA LEU 15 7.252 1.081 -1.570 32 1HB LEU 15 HB2 LEU 15 9.054 1.813 -3.481 33 2HB LEU 15 HB3 LEU 15 8.176 0.552 -4.322 34 HG LEU 15 HG LEU 15 6.614 2.696 -2.955 35 1HD1 LEU 15 HD11 LEU 15 6.782 3.835 -5.330 36 2HD1 LEU 15 HD12 LEU 15 7.960 4.185 -4.067 37 3HD1 LEU 15 HD13 LEU 15 8.353 3.033 -5.344 38 1HD2 LEU 15 HD21 LEU 15 5.377 0.887 -3.930 39 2HD2 LEU 15 HD22 LEU 15 5.156 2.322 -4.931 40 3HD2 LEU 15 HD23 LEU 15 6.258 1.047 -5.452 41 H ARG 16 HN ARG 16 9.216 -1.556 -2.850 42 HA ARG 16 HA ARG 16 7.048 -3.145 -3.741 43 1HB ARG 16 HB2 ARG 16 9.618 -3.331 -4.228 44 2HB ARG 16 HB3 ARG 16 9.594 -4.357 -2.804 45 1HG ARG 16 HG2 ARG 16 7.469 -5.066 -4.592 46 2HG ARG 16 HG3 ARG 16 9.025 -5.112 -5.419 47 1HD ARG 16 HD2 ARG 16 9.363 -6.289 -2.856 48 2HD ARG 16 HD3 ARG 16 7.908 -6.974 -3.575 49 HE ARG 16 HE ARG 16 10.573 -7.037 -4.858 50 1HH1 ARG 16 HH12 ARG 16 7.461 -8.462 -4.146 51 2HH1 ARG 16 HH11 ARG 16 7.752 -9.904 -5.067 52 1HH2 ARG 16 HH22 ARG 16 10.963 -8.916 -6.109 53 2HH2 ARG 16 HH21 ARG 16 9.737 -10.154 -6.207 54 H MET 17 HN MET 17 8.830 -2.918 -0.701 55 HA MET 17 HA MET 17 7.664 -5.132 0.583 56 1HB MET 17 HB2 MET 17 9.663 -3.881 1.397 57 2HB MET 17 HB3 MET 17 8.602 -2.561 1.872 58 1HG MET 17 HG2 MET 17 7.759 -5.121 2.939 59 2HG MET 17 HG3 MET 17 9.384 -4.663 3.452 60 1HE MET 17 HE1 MET 17 8.298 -0.875 4.611 61 2HE MET 17 HE2 MET 17 9.715 -1.854 4.218 62 3HE MET 17 HE3 MET 17 8.573 -1.403 2.951 63 H THR 18 HN THR 18 6.726 -1.758 0.340 64 HA THR 18 HA THR 18 4.482 -1.812 2.045 65 HB THR 18 HB THR 18 4.790 -0.040 -0.384 66 HG1 THR 18 HG1 THR 18 6.739 -0.040 0.918 67 1HG2 THR 18 HG21 THR 18 3.590 1.607 0.975 68 2HG2 THR 18 HG22 THR 18 3.492 0.450 2.302 69 3HG2 THR 18 HG23 THR 18 2.644 0.128 0.790 70 H TYR 19 HN TYR 19 4.870 -2.291 -1.447 71 HA TYR 19 HA TYR 19 2.127 -2.643 -2.012 72 1HB TYR 19 HB2 TYR 19 3.732 -2.078 -3.755 73 2HB TYR 19 HB3 TYR 19 4.581 -3.599 -3.504 74 HD1 TYR 19 HD1 TYR 19 1.521 -2.045 -4.831 75 HD2 TYR 19 HD2 TYR 19 3.757 -5.652 -4.456 76 HE1 TYR 19 HE1 TYR 19 0.105 -3.093 -6.538 77 HE2 TYR 19 HE2 TYR 19 2.332 -6.705 -6.162 78 HH TYR 19 HH TYR 19 0.354 -6.518 -7.287 79 H GLU 20 HN GLU 20 4.738 -4.899 -1.238 80 HA GLU 20 HA GLU 20 3.328 -7.293 -1.665 81 1HB GLU 20 HB2 GLU 20 5.722 -6.540 -0.025 82 2HB GLU 20 HB3 GLU 20 5.033 -8.147 0.095 83 1HG GLU 20 HG2 GLU 20 5.317 -7.563 -2.651 84 2HG GLU 20 HG3 GLU 20 6.816 -7.103 -1.846 85 H ARG 21 HN ARG 21 3.784 -5.346 1.281 86 HA ARG 21 HA ARG 21 2.326 -7.075 2.978 87 1HB ARG 21 HB2 ARG 21 3.882 -5.048 3.531 88 2HB ARG 21 HB3 ARG 21 2.396 -4.115 3.428 89 1HG ARG 21 HG2 ARG 21 1.900 -4.687 5.501 90 2HG ARG 21 HG3 ARG 21 1.885 -6.389 5.034 91 1HD ARG 21 HD2 ARG 21 3.625 -6.638 6.410 92 2HD ARG 21 HD3 ARG 21 4.573 -5.790 5.191 93 HE ARG 21 HE ARG 21 3.194 -4.127 7.149 94 1HH1 ARG 21 HH12 ARG 21 6.177 -5.662 6.119 95 2HH1 ARG 21 HH11 ARG 21 7.188 -4.640 7.100 96 1HH2 ARG 21 HH22 ARG 21 4.519 -2.805 8.468 97 2HH2 ARG 21 HH21 ARG 21 6.247 -3.037 8.453 98 H LEU 22 HN LEU 22 1.364 -4.430 0.860 99 HA LEU 22 HA LEU 22 -1.321 -4.257 1.839 100 1HB LEU 22 HB2 LEU 22 0.202 -3.215 -0.498 101 2HB LEU 22 HB3 LEU 22 -1.540 -3.212 -0.600 102 HG LEU 22 HG LEU 22 -0.295 -1.996 1.816 103 1HD1 LEU 22 HD11 LEU 22 -0.342 -0.720 -0.920 104 2HD1 LEU 22 HD12 LEU 22 -0.047 0.139 0.595 105 3HD1 LEU 22 HD13 LEU 22 1.086 -1.096 0.042 106 1HD2 LEU 22 HD21 LEU 22 -2.839 -2.047 0.441 107 2HD2 LEU 22 HD22 LEU 22 -2.452 -1.483 2.070 108 3HD2 LEU 22 HD23 LEU 22 -2.279 -0.393 0.694 109 H ARG 23 HN ARG 23 0.252 -5.981 -0.832 110 HA ARG 23 HA ARG 23 -2.157 -6.958 -1.974 111 1HB ARG 23 HB2 ARG 23 0.034 -6.898 -3.153 112 2HB ARG 23 HB3 ARG 23 0.600 -8.187 -2.100 113 1HG ARG 23 HG2 ARG 23 -0.416 -9.756 -3.298 114 2HG ARG 23 HG3 ARG 23 -1.915 -8.830 -3.397 115 1HD ARG 23 HD2 ARG 23 -1.381 -7.924 -5.390 116 2HD ARG 23 HD3 ARG 23 0.336 -7.811 -5.000 117 HE ARG 23 HE ARG 23 -1.058 -10.169 -6.087 118 1HH1 ARG 23 HH12 ARG 23 1.923 -8.587 -5.144 119 2HH1 ARG 23 HH11 ARG 23 2.948 -9.752 -5.915 120 1HH2 ARG 23 HH22 ARG 23 0.339 -11.749 -7.092 121 2HH2 ARG 23 HH21 ARG 23 2.061 -11.524 -7.020 122 H GLU 24 HN GLU 24 0.060 -8.270 0.449 123 HA GLU 24 HA GLU 24 -1.263 -10.777 0.690 124 1HB GLU 24 HB2 GLU 24 1.116 -10.010 1.506 125 2HB GLU 24 HB3 GLU 24 0.250 -9.557 2.962 126 1HG GLU 24 HG2 GLU 24 -0.505 -12.186 2.144 127 2HG GLU 24 HG3 GLU 24 1.241 -12.050 2.299 128 H LEU 25 HN LEU 25 -1.641 -7.645 2.204 129 HA LEU 25 HA LEU 25 -3.447 -8.523 4.225 130 1HB LEU 25 HB2 LEU 25 -2.005 -6.236 3.766 131 2HB LEU 25 HB3 LEU 25 -3.631 -5.715 3.383 132 HG LEU 25 HG LEU 25 -2.402 -6.236 5.970 133 1HD1 LEU 25 HD11 LEU 25 -4.689 -4.680 4.876 134 2HD1 LEU 25 HD12 LEU 25 -4.436 -4.830 6.615 135 3HD1 LEU 25 HD13 LEU 25 -3.188 -4.104 5.604 136 1HD2 LEU 25 HD21 LEU 25 -4.935 -6.869 6.691 137 2HD2 LEU 25 HD22 LEU 25 -4.773 -7.780 5.190 138 3HD2 LEU 25 HD23 LEU 25 -3.630 -8.044 6.505 139 H SER 26 HN SER 26 -3.757 -7.288 0.953 140 HA SER 26 HA SER 26 -6.545 -6.814 0.971 141 1HB SER 26 HB2 SER 26 -4.767 -7.592 -1.369 142 2HB SER 26 HB3 SER 26 -6.377 -6.892 -1.487 143 HG SER 26 HG SER 26 -4.106 -5.657 -0.318 144 H LEU 27 HN LEU 27 -4.594 -9.671 0.350 145 HA LEU 27 HA LEU 27 -6.750 -11.303 -0.563 146 1HB LEU 27 HB2 LEU 27 -3.898 -11.559 -0.094 147 2HB LEU 27 HB3 LEU 27 -4.766 -12.984 0.427 148 HG LEU 27 HG LEU 27 -5.871 -12.845 -1.942 149 1HD1 LEU 27 HD11 LEU 27 -3.252 -11.468 -2.451 150 2HD1 LEU 27 HD12 LEU 27 -4.463 -11.947 -3.641 151 3HD1 LEU 27 HD13 LEU 27 -4.828 -10.668 -2.488 152 1HD2 LEU 27 HD21 LEU 27 -4.669 -14.675 -2.282 153 2HD2 LEU 27 HD22 LEU 27 -3.168 -13.746 -2.364 154 3HD2 LEU 27 HD23 LEU 27 -3.790 -14.269 -0.807 155 H ASN 28 HN ASN 28 -5.265 -10.615 2.529 156 HA ASN 28 HA ASN 28 -6.602 -12.742 3.896 157 1HB ASN 28 HB2 ASN 28 -4.397 -11.323 4.470 158 2HB ASN 28 HB3 ASN 28 -5.559 -10.444 5.449 159 1HD2 ASN 28 HD21 ASN 28 -3.735 -13.316 5.074 160 2HD2 ASN 28 HD22 ASN 28 -4.242 -14.101 6.529 161 H LEU 29 HN LEU 29 -6.960 -9.191 3.969 162 HA LEU 29 HA LEU 29 -9.236 -9.166 5.633 163 1HB LEU 29 HB2 LEU 29 -8.218 -7.136 3.643 164 2HB LEU 29 HB3 LEU 29 -9.574 -6.844 4.719 165 HG LEU 29 HG LEU 29 -6.785 -7.514 5.670 166 1HD1 LEU 29 HD11 LEU 29 -7.735 -4.834 6.172 167 2HD1 LEU 29 HD12 LEU 29 -6.210 -5.379 5.468 168 3HD1 LEU 29 HD13 LEU 29 -7.629 -5.179 4.443 169 1HD2 LEU 29 HD21 LEU 29 -8.556 -6.056 7.444 170 2HD2 LEU 29 HD22 LEU 29 -9.229 -7.621 6.989 171 3HD2 LEU 29 HD23 LEU 29 -7.635 -7.529 7.740 172 H GLY 30 HN GLY 30 -8.830 -9.472 2.182 173 1HA GLY 30 HA1 GLY 30 -11.446 -8.925 1.375 174 2HA GLY 30 HA2 GLY 30 -10.318 -9.950 0.502 175 H ASN 31 HN ASN 31 -10.078 -11.879 2.701 176 HA ASN 31 HA ASN 31 -12.647 -13.245 2.287 177 1HB ASN 31 HB2 ASN 31 -10.296 -14.271 1.743 178 2HB ASN 31 HB3 ASN 31 -10.206 -14.535 3.484 179 1HD2 ASN 31 HD21 ASN 31 -10.146 -16.799 2.988 180 2HD2 ASN 31 HD22 ASN 31 -11.624 -17.646 2.645 181 H ARG 32 HN ARG 32 -10.961 -11.479 4.612 182 HA ARG 32 HA ARG 32 -12.186 -12.857 6.880 183 1HB ARG 32 HB2 ARG 32 -9.764 -11.685 6.651 184 2HB ARG 32 HB3 ARG 32 -10.678 -10.344 7.322 185 1HG ARG 32 HG2 ARG 32 -10.683 -11.243 9.346 186 2HG ARG 32 HG3 ARG 32 -11.210 -12.808 8.728 187 1HD ARG 32 HD2 ARG 32 -8.831 -13.169 7.981 188 2HD ARG 32 HD3 ARG 32 -8.406 -11.747 8.939 189 HE ARG 32 HE ARG 32 -9.622 -14.205 10.053 190 1HH1 ARG 32 HH12 ARG 32 -7.467 -11.467 10.278 191 2HH1 ARG 32 HH11 ARG 32 -6.962 -11.818 11.903 192 1HH2 ARG 32 HH22 ARG 32 -8.889 -14.762 12.163 193 2HH2 ARG 32 HH21 ARG 32 -7.750 -13.713 12.965 194 H MET 33 HN MET 33 -13.114 -10.597 4.695 195 HA MET 33 HA MET 33 -14.548 -8.870 6.548 196 1HB MET 33 HB2 MET 33 -13.361 -8.315 4.180 197 2HB MET 33 HB3 MET 33 -15.003 -8.625 3.632 198 1HG MET 33 HG2 MET 33 -15.832 -6.773 4.585 199 2HG MET 33 HG3 MET 33 -14.729 -6.848 5.959 200 1HE MET 33 HE1 MET 33 -14.481 -4.204 2.378 201 2HE MET 33 HE2 MET 33 -15.510 -5.627 2.501 202 3HE MET 33 HE3 MET 33 -15.692 -4.315 3.663 203 H VAL 34 HN VAL 34 -16.862 -8.472 6.257 204 HA VAL 34 HA VAL 34 -18.290 -10.869 5.302 205 HB VAL 34 HB VAL 34 -19.322 -9.158 7.542 206 1HG1 VAL 34 HG11 VAL 34 -19.837 -12.072 7.283 207 2HG1 VAL 34 HG12 VAL 34 -20.889 -10.784 7.862 208 3HG1 VAL 34 HG13 VAL 34 -20.618 -10.985 6.132 209 1HG2 VAL 34 HG21 VAL 34 -17.818 -9.924 8.994 210 2HG2 VAL 34 HG22 VAL 34 -18.323 -11.574 8.620 211 3HG2 VAL 34 HG23 VAL 34 -17.010 -10.825 7.713 212 HA PRO 35 HA PRO 35 -19.210 -11.444 3.853 213 1HB PRO 35 HB2 PRO 35 -19.986 -11.434 1.297 214 2HB PRO 35 HB3 PRO 35 -21.183 -11.357 2.599 215 1HG PRO 35 HG2 PRO 35 -20.106 -9.161 0.877 216 2HG PRO 35 HG3 PRO 35 -21.771 -9.450 1.408 217 1HD PRO 35 HD2 PRO 35 -20.016 -7.661 2.579 218 2HD PRO 35 HD3 PRO 35 -21.444 -8.351 3.374 219 HA PRO 36 HA PRO 36 -15.149 -11.398 2.030 220 1HB PRO 36 HB2 PRO 36 -16.214 -13.189 -0.120 221 2HB PRO 36 HB3 PRO 36 -14.761 -13.374 0.872 222 1HG PRO 36 HG2 PRO 36 -16.885 -14.807 1.435 223 2HG PRO 36 HG3 PRO 36 -15.989 -14.031 2.753 224 1HD PRO 36 HD2 PRO 36 -18.578 -13.201 1.480 225 2HD PRO 36 HD3 PRO 36 -18.115 -13.181 3.195 226 H VAL 37 HN VAL 37 -14.084 -10.089 0.683 227 HA VAL 37 HA VAL 37 -15.606 -8.646 -1.339 228 HB VAL 37 HB VAL 37 -12.750 -8.019 -0.787 229 1HG1 VAL 37 HG11 VAL 37 -13.304 -5.889 -1.375 230 2HG1 VAL 37 HG12 VAL 37 -14.432 -6.821 -2.362 231 3HG1 VAL 37 HG13 VAL 37 -14.985 -6.065 -0.867 232 1HG2 VAL 37 HG21 VAL 37 -13.421 -8.376 1.436 233 2HG2 VAL 37 HG22 VAL 37 -13.510 -6.630 1.179 234 3HG2 VAL 37 HG23 VAL 37 -14.980 -7.601 1.166 235 H GLY 38 HN GLY 38 -12.937 -10.909 -1.111 236 1HA GLY 38 HA1 GLY 38 -11.981 -12.188 -2.811 237 2HA GLY 38 HA2 GLY 38 -13.049 -11.385 -3.956 238 H ASN 39 HN ASN 39 -12.516 -9.159 -4.560 239 HA ASN 39 HA ASN 39 -9.598 -8.821 -4.692 240 1HB ASN 39 HB2 ASN 39 -11.237 -8.861 -6.801 241 2HB ASN 39 HB3 ASN 39 -11.403 -7.159 -6.386 242 1HD2 ASN 39 HD21 ASN 39 -8.922 -9.637 -6.933 243 2HD2 ASN 39 HD22 ASN 39 -7.780 -8.571 -7.675 244 H PHE 40 HN PHE 40 -9.776 -8.098 -2.482 245 HA PHE 40 HA PHE 40 -11.102 -6.011 -1.387 246 1HB PHE 40 HB2 PHE 40 -9.398 -7.529 -0.330 247 2HB PHE 40 HB3 PHE 40 -8.151 -6.481 -0.983 248 HD1 PHE 40 HD1 PHE 40 -7.166 -5.483 0.881 249 HD2 PHE 40 HD2 PHE 40 -11.415 -5.604 0.590 250 HE1 PHE 40 HE1 PHE 40 -7.341 -4.026 2.853 251 HE2 PHE 40 HE2 PHE 40 -11.597 -4.139 2.557 252 HZ PHE 40 HZ PHE 40 -9.528 -3.463 3.773 253 H MET 41 HN MET 41 -7.757 -5.438 -2.438 254 HA MET 41 HA MET 41 -8.628 -2.805 -3.411 255 1HB MET 41 HB2 MET 41 -6.974 -3.159 -1.321 256 2HB MET 41 HB3 MET 41 -5.790 -3.238 -2.614 257 1HG MET 41 HG2 MET 41 -6.222 -0.993 -1.500 258 2HG MET 41 HG3 MET 41 -6.186 -1.033 -3.263 259 1HE MET 41 HE1 MET 41 -7.697 -0.323 -0.176 260 2HE MET 41 HE2 MET 41 -8.337 1.171 -0.865 261 3HE MET 41 HE3 MET 41 -9.437 -0.119 -0.357 262 HA PRO 42 HA PRO 42 -7.131 -4.344 -7.306 263 1HB PRO 42 HB2 PRO 42 -7.147 -1.591 -8.271 264 2HB PRO 42 HB3 PRO 42 -8.183 -2.942 -8.736 265 1HG PRO 42 HG2 PRO 42 -9.094 -0.808 -7.317 266 2HG PRO 42 HG3 PRO 42 -9.771 -2.439 -7.168 267 1HD PRO 42 HD2 PRO 42 -7.850 -1.012 -5.359 268 2HD PRO 42 HD3 PRO 42 -9.221 -2.067 -4.947 269 H ASP 43 HN ASP 43 -5.228 -4.443 -8.410 270 HA ASP 43 HA ASP 43 -2.826 -3.874 -7.216 271 1HB ASP 43 HB2 ASP 43 -2.742 -5.425 -8.943 272 2HB ASP 43 HB3 ASP 43 -3.634 -4.397 -10.057 273 H SER 44 HN SER 44 -4.574 -1.852 -9.531 274 HA SER 44 HA SER 44 -2.630 0.100 -9.952 275 1HB SER 44 HB2 SER 44 -5.197 1.323 -9.966 276 2HB SER 44 HB3 SER 44 -4.251 0.763 -11.349 277 HG SER 44 HG SER 44 -6.003 -0.469 -11.507 278 H ILE 45 HN ILE 45 -5.272 0.003 -7.560 279 HA ILE 45 HA ILE 45 -4.568 2.471 -6.354 280 HB ILE 45 HB ILE 45 -6.213 0.223 -5.181 281 1HG1 ILE 45 HG12 ILE 45 -7.057 1.074 -7.361 282 2HG1 ILE 45 HG13 ILE 45 -8.163 1.385 -6.027 283 1HG2 ILE 45 HG21 ILE 45 -7.078 1.777 -3.614 284 2HG2 ILE 45 HG22 ILE 45 -5.323 1.951 -3.571 285 3HG2 ILE 45 HG23 ILE 45 -6.309 3.139 -4.429 286 1HD1 ILE 45 HD11 ILE 45 -6.220 3.493 -6.823 287 2HD1 ILE 45 HD12 ILE 45 -7.655 3.220 -7.809 288 3HD1 ILE 45 HD13 ILE 45 -7.822 3.648 -6.104 289 H LEU 46 HN LEU 46 -3.725 -0.877 -5.724 290 HA LEU 46 HA LEU 46 -2.539 -0.479 -3.202 291 1HB LEU 46 HB2 LEU 46 -1.914 -2.513 -5.342 292 2HB LEU 46 HB3 LEU 46 -1.254 -2.551 -3.722 293 HG LEU 46 HG LEU 46 -4.226 -2.572 -4.130 294 1HD1 LEU 46 HD11 LEU 46 -2.349 -4.659 -4.907 295 2HD1 LEU 46 HD12 LEU 46 -3.539 -5.197 -3.720 296 3HD1 LEU 46 HD13 LEU 46 -4.072 -4.494 -5.243 297 1HD2 LEU 46 HD21 LEU 46 -3.621 -2.265 -1.883 298 2HD2 LEU 46 HD22 LEU 46 -4.001 -3.981 -2.025 299 3HD2 LEU 46 HD23 LEU 46 -2.318 -3.446 -1.980 300 H LYS 47 HN LYS 47 -1.286 -0.144 -6.485 301 HA LYS 47 HA LYS 47 1.426 0.188 -5.746 302 1HB LYS 47 HB2 LYS 47 -0.167 0.740 -8.216 303 2HB LYS 47 HB3 LYS 47 1.458 1.391 -8.080 304 1HG LYS 47 HG2 LYS 47 2.429 -0.722 -7.982 305 2HG LYS 47 HG3 LYS 47 0.896 -1.506 -7.601 306 1HD LYS 47 HD2 LYS 47 0.082 -1.196 -9.790 307 2HD LYS 47 HD3 LYS 47 1.384 -0.072 -10.194 308 1HE LYS 47 HE2 LYS 47 2.822 -1.719 -10.651 309 2HE LYS 47 HE3 LYS 47 2.278 -2.705 -9.293 310 1HZ LYS 47 HZ1 LYS 47 1.733 -3.816 -11.319 311 2HZ LYS 47 HZ2 LYS 47 0.965 -2.445 -11.940 312 3HZ LYS 47 HZ3 LYS 47 0.294 -3.269 -10.613 313 H LYS 48 HN LYS 48 -1.055 2.596 -6.667 314 HA LYS 48 HA LYS 48 0.603 4.836 -6.249 315 1HB LYS 48 HB2 LYS 48 -1.555 6.140 -6.127 316 2HB LYS 48 HB3 LYS 48 -1.364 5.157 -7.571 317 1HG LYS 48 HG2 LYS 48 -2.765 3.403 -6.386 318 2HG LYS 48 HG3 LYS 48 -3.120 4.653 -5.191 319 1HD LYS 48 HD2 LYS 48 -4.911 4.660 -6.758 320 2HD LYS 48 HD3 LYS 48 -3.936 6.093 -7.073 321 1HE LYS 48 HE2 LYS 48 -2.727 4.459 -8.762 322 2HE LYS 48 HE3 LYS 48 -4.275 3.624 -8.692 323 1HZ LYS 48 HZ1 LYS 48 -5.389 5.589 -9.406 324 2HZ LYS 48 HZ2 LYS 48 -4.115 5.291 -10.488 325 3HZ LYS 48 HZ3 LYS 48 -3.962 6.506 -9.317 326 H MET 49 HN MET 49 -1.680 3.177 -4.133 327 HA MET 49 HA MET 49 -1.465 5.014 -2.007 328 1HB MET 49 HB2 MET 49 -3.095 3.772 -1.136 329 2HB MET 49 HB3 MET 49 -2.990 2.758 -2.560 330 1HG MET 49 HG2 MET 49 -2.031 1.058 -1.446 331 2HG MET 49 HG3 MET 49 -1.102 2.126 -0.397 332 1HE MET 49 HE1 MET 49 -5.518 1.019 0.070 333 2HE MET 49 HE2 MET 49 -4.570 1.145 -1.424 334 3HE MET 49 HE3 MET 49 -4.373 -0.255 -0.369 335 H ALA 50 HN ALA 50 0.514 2.306 -2.993 336 HA ALA 50 HA ALA 50 1.968 2.171 -0.512 337 1HB ALA 50 HB1 ALA 50 3.545 0.904 -2.362 338 2HB ALA 50 HB2 ALA 50 2.269 0.143 -1.412 339 3HB ALA 50 HB3 ALA 50 1.931 0.713 -3.044 340 H ALA 51 HN ALA 51 2.303 3.817 -3.566 341 HA ALA 51 HA ALA 51 5.034 4.586 -3.093 342 1HB ALA 51 HB1 ALA 51 4.283 6.227 -5.075 343 2HB ALA 51 HB2 ALA 51 4.769 4.550 -5.329 344 3HB ALA 51 HB3 ALA 51 3.057 4.972 -5.246 345 H ILE 52 HN ILE 52 1.857 6.138 -2.882 346 HA ILE 52 HA ILE 52 3.054 8.642 -2.031 347 HB ILE 52 HB ILE 52 0.246 7.748 -2.576 348 1HG1 ILE 52 HG12 ILE 52 0.760 10.150 -3.864 349 2HG1 ILE 52 HG13 ILE 52 2.312 9.311 -3.924 350 1HG2 ILE 52 HG21 ILE 52 0.064 10.463 -2.079 351 2HG2 ILE 52 HG22 ILE 52 -0.550 9.163 -1.059 352 3HG2 ILE 52 HG23 ILE 52 1.044 9.844 -0.751 353 1HD1 ILE 52 HD11 ILE 52 1.015 7.324 -4.807 354 2HD1 ILE 52 HD12 ILE 52 -0.327 8.449 -5.039 355 3HD1 ILE 52 HD13 ILE 52 1.202 8.710 -5.879 356 H LEU 53 HN LEU 53 1.282 5.955 -0.664 357 HA LEU 53 HA LEU 53 0.682 5.368 1.434 358 1HB LEU 53 HB2 LEU 53 3.344 6.657 1.734 359 2HB LEU 53 HB3 LEU 53 2.439 6.341 3.199 360 HG LEU 53 HG LEU 53 3.154 4.247 1.140 361 1HD1 LEU 53 HD11 LEU 53 4.335 4.008 3.794 362 2HD1 LEU 53 HD12 LEU 53 5.084 3.855 2.204 363 3HD1 LEU 53 HD13 LEU 53 4.867 5.447 2.925 364 1HD2 LEU 53 HD21 LEU 53 2.444 3.418 3.839 365 2HD2 LEU 53 HD22 LEU 53 1.125 4.205 2.972 366 3HD2 LEU 53 HD23 LEU 53 1.914 2.788 2.279 367 HA PRO 54 HA PRO 54 -1.269 9.489 2.280 368 1HB PRO 54 HB2 PRO 54 -3.800 8.325 1.537 369 2HB PRO 54 HB3 PRO 54 -2.920 9.635 0.753 370 1HG PRO 54 HG2 PRO 54 -3.298 7.173 -0.384 371 2HG PRO 54 HG3 PRO 54 -1.931 8.240 -0.763 372 1HD PRO 54 HD2 PRO 54 -2.037 5.884 1.084 373 2HD PRO 54 HD3 PRO 54 -0.775 6.344 -0.080 374 H MET 55 HN MET 55 -1.508 9.738 4.370 375 HA MET 55 HA MET 55 -2.771 7.628 5.932 376 1HB MET 55 HB2 MET 55 -0.952 9.911 6.575 377 2HB MET 55 HB3 MET 55 -2.003 9.273 7.838 378 1HG MET 55 HG2 MET 55 -0.981 6.989 6.883 379 2HG MET 55 HG3 MET 55 0.364 8.087 6.566 380 1HE MET 55 HE1 MET 55 -1.777 6.738 10.105 381 2HE MET 55 HE2 MET 55 -1.707 8.457 10.488 382 3HE MET 55 HE3 MET 55 -2.422 7.920 8.967 383 H ASN 56 HN ASN 56 -3.454 10.738 4.658 384 HA ASN 56 HA ASN 56 -5.895 10.830 6.284 385 1HB ASN 56 HB2 ASN 56 -5.839 13.231 6.363 386 2HB ASN 56 HB3 ASN 56 -4.280 12.634 6.914 387 1HD2 ASN 56 HD21 ASN 56 -5.074 15.260 5.763 388 2HD2 ASN 56 HD22 ASN 56 -4.025 15.499 4.409 389 H ASP 57 HN ASP 57 -7.632 12.158 5.291 390 HA ASP 57 HA ASP 57 -8.473 11.031 2.904 391 1HB ASP 57 HB2 ASP 57 -9.901 12.133 4.683 392 2HB ASP 57 HB3 ASP 57 -9.443 13.679 3.981 393 H SER 58 HN SER 58 -7.060 14.268 3.404 394 HA SER 58 HA SER 58 -7.397 15.248 0.832 395 1HB SER 58 HB2 SER 58 -4.873 15.938 2.213 396 2HB SER 58 HB3 SER 58 -6.106 16.995 1.520 397 HG SER 58 HG SER 58 -6.944 17.167 3.431 398 H ALA 59 HN ALA 59 -4.847 13.185 2.119 399 HA ALA 59 HA ALA 59 -3.228 13.268 -0.229 400 1HB ALA 59 HB1 ALA 59 -3.010 12.207 2.383 401 2HB ALA 59 HB2 ALA 59 -2.743 10.887 1.247 402 3HB ALA 59 HB3 ALA 59 -1.758 12.346 1.147 403 H PHE 60 HN PHE 60 -5.921 11.345 0.827 404 HA PHE 60 HA PHE 60 -5.520 9.197 -0.966 405 1HB PHE 60 HB2 PHE 60 -7.724 10.139 0.764 406 2HB PHE 60 HB3 PHE 60 -8.197 9.149 -0.615 407 HD1 PHE 60 HD1 PHE 60 -8.571 8.303 2.239 408 HD2 PHE 60 HD2 PHE 60 -5.334 7.740 -0.461 409 HE1 PHE 60 HE1 PHE 60 -7.912 6.249 3.441 410 HE2 PHE 60 HE2 PHE 60 -4.677 5.710 0.731 411 HZ PHE 60 HZ PHE 60 -5.962 4.947 2.659 412 H ALA 61 HN ALA 61 -6.799 12.379 -1.332 413 HA ALA 61 HA ALA 61 -8.280 11.915 -3.718 414 1HB ALA 61 HB1 ALA 61 -8.260 14.364 -3.953 415 2HB ALA 61 HB2 ALA 61 -8.720 13.861 -2.327 416 3HB ALA 61 HB3 ALA 61 -7.094 14.470 -2.633 417 H THR 62 HN THR 62 -4.900 12.465 -3.024 418 HA THR 62 HA THR 62 -4.234 13.146 -5.738 419 HB THR 62 HB THR 62 -1.864 12.450 -4.718 420 HG1 THR 62 HG1 THR 62 -3.000 12.011 -2.642 421 1HG2 THR 62 HG21 THR 62 -2.060 15.020 -3.861 422 2HG2 THR 62 HG22 THR 62 -3.430 14.911 -4.967 423 3HG2 THR 62 HG23 THR 62 -1.804 14.540 -5.538 424 H LEU 63 HN LEU 63 -5.254 10.342 -4.448 425 HA LEU 63 HA LEU 63 -3.417 8.539 -5.797 426 1HB LEU 63 HB2 LEU 63 -6.034 8.077 -4.355 427 2HB LEU 63 HB3 LEU 63 -5.159 6.800 -5.172 428 HG LEU 63 HG LEU 63 -4.268 8.350 -2.741 429 1HD1 LEU 63 HD11 LEU 63 -4.766 6.497 -1.523 430 2HD1 LEU 63 HD12 LEU 63 -5.983 6.342 -2.787 431 3HD1 LEU 63 HD13 LEU 63 -4.495 5.397 -2.874 432 1HD2 LEU 63 HD21 LEU 63 -2.406 6.551 -2.829 433 2HD2 LEU 63 HD22 LEU 63 -2.772 6.503 -4.558 434 3HD2 LEU 63 HD23 LEU 63 -2.247 8.012 -3.807 435 H GLY 64 HN GLY 64 -5.118 10.636 -7.203 436 1HA GLY 64 HA1 GLY 64 -5.981 10.721 -9.351 437 2HA GLY 64 HA2 GLY 64 -5.929 8.963 -9.421 438 H THR 65 HN THR 65 -7.402 10.774 -6.833 439 HA THR 65 HA THR 65 -9.484 10.833 -5.965 440 HB THR 65 HB THR 65 -11.248 10.658 -8.093 441 HG1 THR 65 HG1 THR 65 -9.257 10.819 -9.408 442 1HG2 THR 65 HG21 THR 65 -10.336 13.360 -7.528 443 2HG2 THR 65 HG22 THR 65 -10.606 12.409 -6.065 444 3HG2 THR 65 HG23 THR 65 -11.906 12.613 -7.236 445 H VAL 66 HN VAL 66 -9.223 8.783 -5.013 446 HA VAL 66 HA VAL 66 -10.003 6.368 -6.255 447 HB VAL 66 HB VAL 66 -10.371 5.654 -3.745 448 1HG1 VAL 66 HG11 VAL 66 -7.890 5.389 -3.484 449 2HG1 VAL 66 HG12 VAL 66 -8.554 4.782 -5.003 450 3HG1 VAL 66 HG13 VAL 66 -7.702 6.323 -4.971 451 1HG2 VAL 66 HG21 VAL 66 -10.096 8.300 -3.264 452 2HG2 VAL 66 HG22 VAL 66 -9.724 7.036 -2.095 453 3HG2 VAL 66 HG23 VAL 66 -8.429 7.756 -3.047 454 H GLU 67 HN GLU 67 -11.914 5.325 -6.359 455 HA GLU 67 HA GLU 67 -14.317 6.753 -6.284 456 1HB GLU 67 HB2 GLU 67 -13.501 4.190 -7.075 457 2HB GLU 67 HB3 GLU 67 -14.744 3.922 -5.860 458 1HG GLU 67 HG2 GLU 67 -15.370 5.953 -7.893 459 2HG GLU 67 HG3 GLU 67 -15.246 4.294 -8.475 460 H ASP 68 HN ASP 68 -16.031 6.778 -4.833 461 HA ASP 68 HA ASP 68 -15.429 6.906 -2.126 462 1HB ASP 68 HB2 ASP 68 -17.475 7.810 -3.536 463 2HB ASP 68 HB3 ASP 68 -18.234 6.325 -2.968 464 H LYS 69 HN LYS 69 -16.667 4.245 -4.050 465 HA LYS 69 HA LYS 69 -17.351 2.574 -1.859 466 1HB LYS 69 HB2 LYS 69 -17.953 1.037 -3.411 467 2HB LYS 69 HB3 LYS 69 -17.839 2.423 -4.486 468 1HG LYS 69 HG2 LYS 69 -15.266 1.276 -4.361 469 2HG LYS 69 HG3 LYS 69 -16.421 -0.044 -4.574 470 1HD LYS 69 HD2 LYS 69 -16.381 2.447 -6.265 471 2HD LYS 69 HD3 LYS 69 -15.563 0.949 -6.702 472 1HE LYS 69 HE2 LYS 69 -17.518 -0.152 -7.147 473 2HE LYS 69 HE3 LYS 69 -18.449 0.809 -5.998 474 1HZ LYS 69 HZ1 LYS 69 -17.793 2.663 -7.813 475 2HZ LYS 69 HZ2 LYS 69 -19.225 1.757 -7.870 476 3HZ LYS 69 HZ3 LYS 69 -17.889 1.287 -8.804 477 H TYR 70 HN TYR 70 -14.348 3.326 -3.405 478 HA TYR 70 HA TYR 70 -12.933 1.064 -2.270 479 1HB TYR 70 HB2 TYR 70 -12.074 3.488 -3.849 480 2HB TYR 70 HB3 TYR 70 -10.908 2.363 -3.157 481 HD1 TYR 70 HD1 TYR 70 -11.512 3.099 -6.146 482 HD2 TYR 70 HD2 TYR 70 -12.626 -0.138 -3.630 483 HE1 TYR 70 HE1 TYR 70 -11.740 1.655 -8.117 484 HE2 TYR 70 HE2 TYR 70 -12.861 -1.600 -5.595 485 HH TYR 70 HH TYR 70 -12.315 -1.800 -7.814 486 H ARG 71 HN ARG 71 -13.500 4.431 -1.580 487 HA ARG 71 HA ARG 71 -11.536 4.755 0.446 488 1HB ARG 71 HB2 ARG 71 -14.127 6.267 0.163 489 2HB ARG 71 HB3 ARG 71 -12.668 6.801 0.979 490 1HG ARG 71 HG2 ARG 71 -11.699 6.366 -1.495 491 2HG ARG 71 HG3 ARG 71 -13.358 6.835 -1.870 492 1HD ARG 71 HD2 ARG 71 -11.490 8.393 -0.106 493 2HD ARG 71 HD3 ARG 71 -11.783 8.744 -1.810 494 HE ARG 71 HE ARG 71 -13.514 9.346 0.416 495 1HH1 ARG 71 HH12 ARG 71 -13.393 8.768 -3.042 496 2HH1 ARG 71 HH11 ARG 71 -14.826 9.690 -3.369 497 1HH2 ARG 71 HH22 ARG 71 -15.422 10.526 -0.021 498 2HH2 ARG 71 HH21 ARG 71 -15.982 10.690 -1.661 499 H ARG 72 HN ARG 72 -14.854 3.621 0.431 500 HA ARG 72 HA ARG 72 -15.443 3.776 3.151 501 1HB ARG 72 HB2 ARG 72 -16.497 2.412 0.820 502 2HB ARG 72 HB3 ARG 72 -16.701 1.475 2.300 503 1HG ARG 72 HG2 ARG 72 -18.422 2.707 2.813 504 2HG ARG 72 HG3 ARG 72 -17.388 4.131 2.918 505 1HD ARG 72 HD2 ARG 72 -17.844 3.481 0.190 506 2HD ARG 72 HD3 ARG 72 -19.405 3.577 1.013 507 HE ARG 72 HE ARG 72 -17.667 5.737 0.321 508 1HH1 ARG 72 HH12 ARG 72 -19.942 4.770 2.816 509 2HH1 ARG 72 HH11 ARG 72 -20.433 6.397 3.159 510 1HH2 ARG 72 HH22 ARG 72 -18.314 7.839 0.770 511 2HH2 ARG 72 HH21 ARG 72 -19.523 8.144 1.991 512 H ARG 73 HN ARG 73 -14.194 0.940 1.387 513 HA ARG 73 HA ARG 73 -13.691 -0.384 3.921 514 1HB ARG 73 HB2 ARG 73 -13.524 -2.334 2.757 515 2HB ARG 73 HB3 ARG 73 -14.460 -1.418 1.592 516 1HG ARG 73 HG2 ARG 73 -11.478 -1.437 1.411 517 2HG ARG 73 HG3 ARG 73 -12.422 -2.803 0.811 518 1HD ARG 73 HD2 ARG 73 -13.795 -0.736 -0.256 519 2HD ARG 73 HD3 ARG 73 -12.160 -0.070 -0.238 520 HE ARG 73 HE ARG 73 -11.486 -2.059 -1.539 521 1HH1 ARG 73 HH12 ARG 73 -14.848 -1.085 -1.524 522 2HH1 ARG 73 HH11 ARG 73 -15.261 -2.008 -2.938 523 1HH2 ARG 73 HH22 ARG 73 -12.014 -3.290 -3.388 524 2HH2 ARG 73 HH21 ARG 73 -13.637 -3.256 -4.011 525 H PHE 74 HN PHE 74 -12.212 1.948 2.251 526 HA PHE 74 HA PHE 74 -9.485 1.181 2.060 527 1HB PHE 74 HB2 PHE 74 -10.911 3.531 1.615 528 2HB PHE 74 HB3 PHE 74 -9.808 3.950 2.916 529 HD1 PHE 74 HD1 PHE 74 -10.103 4.488 -0.297 530 HD2 PHE 74 HD2 PHE 74 -7.436 2.449 2.302 531 HE1 PHE 74 HE1 PHE 74 -8.288 4.799 -1.931 532 HE2 PHE 74 HE2 PHE 74 -5.619 2.746 0.682 533 HZ PHE 74 HZ PHE 74 -6.038 3.923 -1.438 534 H LYS 75 HN LYS 75 -11.377 2.303 4.774 535 HA LYS 75 HA LYS 75 -9.437 2.963 6.628 536 1HB LYS 75 HB2 LYS 75 -11.295 1.878 8.246 537 2HB LYS 75 HB3 LYS 75 -11.462 3.461 7.499 538 1HG LYS 75 HG2 LYS 75 -13.172 2.813 6.250 539 2HG LYS 75 HG3 LYS 75 -12.388 1.295 5.788 540 1HD LYS 75 HD2 LYS 75 -13.633 0.166 7.239 541 2HD LYS 75 HD3 LYS 75 -13.143 1.226 8.567 542 1HE LYS 75 HE2 LYS 75 -14.950 2.653 8.268 543 2HE LYS 75 HE3 LYS 75 -15.175 2.161 6.589 544 1HZ LYS 75 HZ1 LYS 75 -16.822 1.352 8.381 545 2HZ LYS 75 HZ2 LYS 75 -15.616 0.222 8.758 546 3HZ LYS 75 HZ3 LYS 75 -16.289 0.252 7.202 547 H TYR 76 HN TYR 76 -10.277 -0.224 5.510 548 HA TYR 76 HA TYR 76 -9.206 -1.610 7.778 549 1HB TYR 76 HB2 TYR 76 -9.852 -2.499 4.964 550 2HB TYR 76 HB3 TYR 76 -9.261 -3.589 6.210 551 HD1 TYR 76 HD1 TYR 76 -12.126 -1.797 4.912 552 HD2 TYR 76 HD2 TYR 76 -10.650 -4.043 8.205 553 HE1 TYR 76 HE1 TYR 76 -14.427 -2.133 5.710 554 HE2 TYR 76 HE2 TYR 76 -12.946 -4.389 9.017 555 HH TYR 76 HH TYR 76 -15.432 -2.702 8.326 556 H PHE 77 HN PHE 77 -7.787 0.118 5.269 557 HA PHE 77 HA PHE 77 -5.273 -1.409 5.383 558 1HB PHE 77 HB2 PHE 77 -6.612 0.267 3.373 559 2HB PHE 77 HB3 PHE 77 -4.881 0.532 3.510 560 HD1 PHE 77 HD1 PHE 77 -6.740 -0.757 1.284 561 HD2 PHE 77 HD2 PHE 77 -4.068 -2.287 4.217 562 HE1 PHE 77 HE1 PHE 77 -6.337 -2.736 -0.114 563 HE2 PHE 77 HE2 PHE 77 -3.669 -4.269 2.824 564 HZ PHE 77 HZ PHE 77 -4.791 -4.482 0.648 565 H LYS 78 HN LYS 78 -6.787 1.371 6.589 566 HA LYS 78 HA LYS 78 -4.741 3.254 6.619 567 1HB LYS 78 HB2 LYS 78 -7.299 2.909 7.901 568 2HB LYS 78 HB3 LYS 78 -6.137 3.595 9.027 569 1HG LYS 78 HG2 LYS 78 -6.208 5.575 8.039 570 2HG LYS 78 HG3 LYS 78 -5.955 4.862 6.445 571 1HD LYS 78 HD2 LYS 78 -8.057 5.466 5.983 572 2HD LYS 78 HD3 LYS 78 -8.559 4.176 7.076 573 1HE LYS 78 HE2 LYS 78 -8.256 5.912 8.937 574 2HE LYS 78 HE3 LYS 78 -8.272 7.106 7.642 575 1HZ LYS 78 HZ1 LYS 78 -10.433 5.430 8.666 576 2HZ LYS 78 HZ2 LYS 78 -10.423 5.728 7.000 577 3HZ LYS 78 HZ3 LYS 78 -10.472 7.028 8.096 578 H ALA 79 HN ALA 79 -5.261 0.486 8.712 579 HA ALA 79 HA ALA 79 -3.386 1.227 10.726 580 1HB ALA 79 HB1 ALA 79 -4.209 -1.581 10.006 581 2HB ALA 79 HB2 ALA 79 -3.623 -0.991 11.560 582 3HB ALA 79 HB3 ALA 79 -5.214 -0.497 10.969 583 H THR 80 HN THR 80 -3.184 -0.397 7.656 584 HA THR 80 HA THR 80 -0.482 -1.297 8.026 585 HB THR 80 HB THR 80 -1.452 -1.215 5.290 586 HG1 THR 80 HG1 THR 80 -3.042 -2.614 7.223 587 1HG2 THR 80 HG21 THR 80 -0.192 -3.072 7.177 588 2HG2 THR 80 HG22 THR 80 0.038 -2.898 5.438 589 3HG2 THR 80 HG23 THR 80 -1.313 -3.847 6.058 590 H ILE 81 HN ILE 81 -2.125 1.190 6.102 591 HA ILE 81 HA ILE 81 0.104 2.224 4.774 592 HB ILE 81 HB ILE 81 -2.356 3.749 5.661 593 1HG1 ILE 81 HG12 ILE 81 -1.907 2.476 2.964 594 2HG1 ILE 81 HG13 ILE 81 -2.711 1.626 4.279 595 1HG2 ILE 81 HG21 ILE 81 -1.146 5.468 4.884 596 2HG2 ILE 81 HG22 ILE 81 -0.061 4.430 3.965 597 3HG2 ILE 81 HG23 ILE 81 -1.646 4.853 3.305 598 1HD1 ILE 81 HD11 ILE 81 -4.462 3.262 4.334 599 2HD1 ILE 81 HD12 ILE 81 -3.622 4.255 3.140 600 3HD1 ILE 81 HD13 ILE 81 -4.259 2.674 2.680 601 H ALA 82 HN ALA 82 -1.314 3.065 7.905 602 HA ALA 82 HA ALA 82 0.353 5.254 8.482 603 1HB ALA 82 HB1 ALA 82 -1.736 3.999 9.745 604 2HB ALA 82 HB2 ALA 82 -0.375 3.664 10.817 605 3HB ALA 82 HB3 ALA 82 -0.786 5.329 10.407 606 H ASP 83 HN ASP 83 0.670 1.830 9.388 607 HA ASP 83 HA ASP 83 3.107 2.086 10.790 608 1HB ASP 83 HB2 ASP 83 1.644 0.136 11.062 609 2HB ASP 83 HB3 ASP 83 1.938 -0.331 9.389 610 H LEU 84 HN LEU 84 2.427 1.227 7.401 611 HA LEU 84 HA LEU 84 5.135 0.728 6.727 612 1HB LEU 84 HB2 LEU 84 2.722 1.394 5.048 613 2HB LEU 84 HB3 LEU 84 4.299 1.052 4.363 614 HG LEU 84 HG LEU 84 2.984 -0.925 6.204 615 1HD1 LEU 84 HD11 LEU 84 2.392 -0.356 3.334 616 2HD1 LEU 84 HD12 LEU 84 2.372 -2.020 3.914 617 3HD1 LEU 84 HD13 LEU 84 1.295 -0.825 4.637 618 1HD2 LEU 84 HD21 LEU 84 4.834 -2.078 5.775 619 2HD2 LEU 84 HD22 LEU 84 4.462 -2.032 4.049 620 3HD2 LEU 84 HD23 LEU 84 5.427 -0.750 4.776 621 H SER 85 HN SER 85 3.223 3.670 6.855 622 HA SER 85 HA SER 85 5.166 5.231 5.395 623 1HB SER 85 HB2 SER 85 2.594 5.634 5.733 624 2HB SER 85 HB3 SER 85 3.118 6.494 7.179 625 HG SER 85 HG SER 85 3.830 7.007 4.476 626 H LYS 86 HN LYS 86 4.471 4.407 8.700 627 HA LYS 86 HA LYS 86 6.170 6.375 9.899 628 1HB LYS 86 HB2 LYS 86 4.570 4.064 10.791 629 2HB LYS 86 HB3 LYS 86 6.002 4.386 11.754 630 1HG LYS 86 HG2 LYS 86 5.238 6.510 12.377 631 2HG LYS 86 HG3 LYS 86 4.020 6.535 11.107 632 1HD LYS 86 HD2 LYS 86 2.512 5.471 12.371 633 2HD LYS 86 HD3 LYS 86 3.697 4.266 12.885 634 1HE LYS 86 HE2 LYS 86 4.590 5.953 14.499 635 2HE LYS 86 HE3 LYS 86 3.257 7.015 14.065 636 1HZ LYS 86 HZ1 LYS 86 1.801 5.820 15.229 637 2HZ LYS 86 HZ2 LYS 86 3.170 5.267 16.070 638 3HZ LYS 86 HZ3 LYS 86 2.499 4.329 14.831 639 H LYS 87 HN LYS 87 6.486 2.920 9.124 640 HA LYS 87 HA LYS 87 9.138 2.692 10.087 641 1HB LYS 87 HB2 LYS 87 7.361 1.029 8.330 642 2HB LYS 87 HB3 LYS 87 9.018 0.567 8.678 643 1HG LYS 87 HG2 LYS 87 7.314 1.242 10.985 644 2HG LYS 87 HG3 LYS 87 6.968 -0.269 10.129 645 1HD LYS 87 HD2 LYS 87 9.024 -1.186 10.665 646 2HD LYS 87 HD3 LYS 87 9.784 0.392 10.888 647 1HE LYS 87 HE2 LYS 87 7.578 -0.314 12.709 648 2HE LYS 87 HE3 LYS 87 9.096 -1.178 12.918 649 1HZ LYS 87 HZ1 LYS 87 9.122 0.736 14.311 650 2HZ LYS 87 HZ2 LYS 87 8.691 1.766 13.034 651 3HZ LYS 87 HZ3 LYS 87 10.215 1.020 13.046 652 H ARG 88 HN ARG 88 7.732 3.750 7.098 653 HA ARG 88 HA ARG 88 9.769 3.258 5.267 654 1HB ARG 88 HB2 ARG 88 7.598 4.113 4.575 655 2HB ARG 88 HB3 ARG 88 7.897 5.628 5.422 656 1HG ARG 88 HG2 ARG 88 9.827 6.018 3.906 657 2HG ARG 88 HG3 ARG 88 9.349 4.583 2.997 658 1HD ARG 88 HD2 ARG 88 8.013 5.893 1.798 659 2HD ARG 88 HD3 ARG 88 7.024 6.093 3.246 660 HE ARG 88 HE ARG 88 7.854 8.221 3.507 661 1HH1 ARG 88 HH12 ARG 88 9.822 6.513 1.163 662 2HH1 ARG 88 HH11 ARG 88 10.667 7.942 0.635 663 1HH2 ARG 88 HH22 ARG 88 8.922 10.105 2.813 664 2HH2 ARG 88 HH21 ARG 88 10.137 9.999 1.574 665 H SER 89 HN SER 89 9.320 6.165 7.298 666 HA SER 89 HA SER 89 11.946 7.133 6.512 667 1HB SER 89 HB2 SER 89 10.447 8.563 8.619 668 2HB SER 89 HB3 SER 89 11.239 9.190 7.173 669 HG SER 89 HG SER 89 8.811 9.204 7.306 670 H SER 90 HN SER 90 11.449 4.719 8.290 671 HA SER 90 HA SER 90 13.458 5.416 10.289 672 1HB SER 90 HB2 SER 90 11.131 3.749 11.191 673 2HB SER 90 HB3 SER 90 12.244 4.738 12.148 674 HG SER 90 HG SER 90 9.952 5.473 10.714 675 H GLU 91 HN GLU 91 13.732 4.013 7.902 676 HA GLU 91 HA GLU 91 14.089 1.240 8.831 677 1HB GLU 91 HB2 GLU 91 13.104 2.347 6.311 678 2HB GLU 91 HB3 GLU 91 14.398 1.176 6.084 679 1HG GLU 91 HG2 GLU 91 12.144 0.486 7.909 680 2HG GLU 91 HG3 GLU 91 11.884 0.423 6.165 Start of MODEL 9 1 H GLU 11 HN GLU 11 18.013 -1.609 -2.713 2 HA GLU 11 HA GLU 11 17.628 -3.189 -1.125 3 1HB GLU 11 HB2 GLU 11 19.951 -1.912 -0.083 4 2HB GLU 11 HB3 GLU 11 18.852 -2.273 1.240 5 1HG GLU 11 HG2 GLU 11 19.705 -4.296 -0.816 6 2HG GLU 11 HG3 GLU 11 20.564 -4.023 0.697 7 H LEU 12 HN LEU 12 17.367 0.173 -0.370 8 HA LEU 12 HA LEU 12 15.424 -0.175 1.735 9 1HB LEU 12 HB2 LEU 12 16.216 2.319 0.211 10 2HB LEU 12 HB3 LEU 12 15.277 2.272 1.688 11 HG LEU 12 HG LEU 12 18.036 1.125 1.700 12 1HD1 LEU 12 HD11 LEU 12 18.382 3.704 2.571 13 2HD1 LEU 12 HD12 LEU 12 18.886 3.073 1.002 14 3HD1 LEU 12 HD13 LEU 12 17.344 3.904 1.159 15 1HD2 LEU 12 HD21 LEU 12 15.982 1.986 3.589 16 2HD2 LEU 12 HD22 LEU 12 17.297 0.826 3.789 17 3HD2 LEU 12 HD23 LEU 12 17.606 2.549 3.990 18 H ASN 13 HN ASN 13 14.449 -1.600 -0.226 19 HA ASN 13 HA ASN 13 12.710 -0.079 -1.968 20 1HB ASN 13 HB2 ASN 13 13.878 -2.426 -2.369 21 2HB ASN 13 HB3 ASN 13 12.423 -3.037 -1.583 22 1HD2 ASN 13 HD21 ASN 13 13.332 -3.370 -4.339 23 2HD2 ASN 13 HD22 ASN 13 12.073 -2.723 -5.345 24 H ASN 14 HN ASN 14 11.639 1.027 -0.194 25 HA ASN 14 HA ASN 14 9.976 -0.454 1.606 26 1HB ASN 14 HB2 ASN 14 9.429 1.559 2.578 27 2HB ASN 14 HB3 ASN 14 10.954 1.990 1.824 28 1HD2 ASN 14 HD21 ASN 14 7.504 2.364 1.740 29 2HD2 ASN 14 HD22 ASN 14 7.468 3.660 0.595 30 H LEU 15 HN LEU 15 9.620 0.906 -1.583 31 HA LEU 15 HA LEU 15 6.799 1.007 -1.698 32 1HB LEU 15 HB2 LEU 15 8.822 1.640 -3.423 33 2HB LEU 15 HB3 LEU 15 8.180 0.188 -4.165 34 HG LEU 15 HG LEU 15 6.416 2.513 -3.434 35 1HD1 LEU 15 HD11 LEU 15 8.477 2.664 -5.251 36 2HD1 LEU 15 HD12 LEU 15 7.071 2.282 -6.247 37 3HD1 LEU 15 HD13 LEU 15 7.048 3.697 -5.193 38 1HD2 LEU 15 HD21 LEU 15 6.100 0.249 -5.405 39 2HD2 LEU 15 HD22 LEU 15 5.297 0.391 -3.841 40 3HD2 LEU 15 HD23 LEU 15 4.941 1.548 -5.120 41 H ARG 16 HN ARG 16 9.116 -1.603 -2.221 42 HA ARG 16 HA ARG 16 7.165 -3.466 -3.172 43 1HB ARG 16 HB2 ARG 16 9.810 -3.461 -3.315 44 2HB ARG 16 HB3 ARG 16 9.666 -4.387 -1.826 45 1HG ARG 16 HG2 ARG 16 8.825 -6.187 -2.869 46 2HG ARG 16 HG3 ARG 16 7.956 -5.231 -4.064 47 1HD ARG 16 HD2 ARG 16 9.555 -6.096 -5.413 48 2HD ARG 16 HD3 ARG 16 10.413 -4.664 -4.854 49 HE ARG 16 HE ARG 16 11.590 -6.068 -3.255 50 1HH1 ARG 16 HH12 ARG 16 9.886 -7.706 -5.838 51 2HH1 ARG 16 HH11 ARG 16 10.836 -9.157 -5.731 52 1HH2 ARG 16 HH22 ARG 16 12.859 -7.993 -3.113 53 2HH2 ARG 16 HH21 ARG 16 12.507 -9.330 -4.173 54 H MET 17 HN MET 17 8.630 -2.704 -0.080 55 HA MET 17 HA MET 17 7.540 -4.782 1.460 56 1HB MET 17 HB2 MET 17 9.343 -3.383 2.298 57 2HB MET 17 HB3 MET 17 8.309 -1.963 2.256 58 1HG MET 17 HG2 MET 17 7.015 -2.713 4.054 59 2HG MET 17 HG3 MET 17 7.653 -4.354 3.935 60 1HE MET 17 HE1 MET 17 8.349 -0.661 4.888 61 2HE MET 17 HE2 MET 17 9.974 -0.717 5.571 62 3HE MET 17 HE3 MET 17 9.739 -0.927 3.835 63 H THR 18 HN THR 18 6.354 -1.562 0.690 64 HA THR 18 HA THR 18 3.980 -1.673 2.233 65 HB THR 18 HB THR 18 4.359 -0.034 -0.278 66 HG1 THR 18 HG1 THR 18 6.152 0.368 1.020 67 1HG2 THR 18 HG21 THR 18 2.390 0.833 0.293 68 2HG2 THR 18 HG22 THR 18 3.096 1.391 1.808 69 3HG2 THR 18 HG23 THR 18 2.321 -0.192 1.726 70 H TYR 19 HN TYR 19 4.617 -2.242 -1.221 71 HA TYR 19 HA TYR 19 2.014 -2.896 -2.013 72 1HB TYR 19 HB2 TYR 19 3.908 -2.427 -3.541 73 2HB TYR 19 HB3 TYR 19 4.632 -3.965 -3.096 74 HD1 TYR 19 HD1 TYR 19 1.874 -2.357 -4.917 75 HD2 TYR 19 HD2 TYR 19 3.823 -6.027 -4.010 76 HE1 TYR 19 HE1 TYR 19 0.653 -3.451 -6.747 77 HE2 TYR 19 HE2 TYR 19 2.608 -7.134 -5.839 78 HH TYR 19 HH TYR 19 0.358 -5.310 -7.920 79 H GLU 20 HN GLU 20 4.637 -4.952 -0.799 80 HA GLU 20 HA GLU 20 3.382 -7.443 -1.063 81 1HB GLU 20 HB2 GLU 20 5.706 -6.340 0.329 82 2HB GLU 20 HB3 GLU 20 4.961 -7.681 1.190 83 1HG GLU 20 HG2 GLU 20 6.854 -7.978 -0.655 84 2HG GLU 20 HG3 GLU 20 5.618 -9.188 -0.340 85 H ARG 21 HN ARG 21 3.530 -5.194 1.699 86 HA ARG 21 HA ARG 21 1.975 -6.748 3.481 87 1HB ARG 21 HB2 ARG 21 3.408 -4.475 3.775 88 2HB ARG 21 HB3 ARG 21 1.793 -3.787 3.701 89 1HG ARG 21 HG2 ARG 21 1.761 -4.141 5.908 90 2HG ARG 21 HG3 ARG 21 1.436 -5.824 5.483 91 1HD ARG 21 HD2 ARG 21 3.328 -6.417 6.468 92 2HD ARG 21 HD3 ARG 21 4.227 -5.425 5.327 93 HE ARG 21 HE ARG 21 3.348 -3.655 7.196 94 1HH1 ARG 21 HH12 ARG 21 5.261 -6.602 7.285 95 2HH1 ARG 21 HH11 ARG 21 6.144 -6.119 8.709 96 1HH2 ARG 21 HH22 ARG 21 4.505 -3.028 9.071 97 2HH2 ARG 21 HH21 ARG 21 5.700 -4.123 9.729 98 H LEU 22 HN LEU 22 1.132 -4.435 1.001 99 HA LEU 22 HA LEU 22 -1.631 -4.217 1.725 100 1HB LEU 22 HB2 LEU 22 0.031 -3.472 -0.647 101 2HB LEU 22 HB3 LEU 22 -1.713 -3.472 -0.798 102 HG LEU 22 HG LEU 22 -0.497 -1.967 1.469 103 1HD1 LEU 22 HD11 LEU 22 0.887 -1.058 -0.146 104 2HD1 LEU 22 HD12 LEU 22 -0.319 -1.224 -1.421 105 3HD1 LEU 22 HD13 LEU 22 -0.506 0.023 -0.191 106 1HD2 LEU 22 HD21 LEU 22 -2.622 -1.384 1.674 107 2HD2 LEU 22 HD22 LEU 22 -2.512 -0.557 0.119 108 3HD2 LEU 22 HD23 LEU 22 -3.041 -2.240 0.187 109 H ARG 23 HN ARG 23 0.235 -6.266 -0.462 110 HA ARG 23 HA ARG 23 -2.021 -7.433 -1.742 111 1HB ARG 23 HB2 ARG 23 -0.113 -7.671 -3.008 112 2HB ARG 23 HB3 ARG 23 0.908 -7.986 -1.615 113 1HG ARG 23 HG2 ARG 23 -0.728 -10.184 -1.644 114 2HG ARG 23 HG3 ARG 23 -0.503 -9.843 -3.364 115 1HD ARG 23 HD2 ARG 23 1.585 -10.622 -3.299 116 2HD ARG 23 HD3 ARG 23 1.982 -9.578 -1.937 117 HE ARG 23 HE ARG 23 1.362 -11.312 -0.446 118 1HH1 ARG 23 HH12 ARG 23 1.129 -12.294 -3.805 119 2HH1 ARG 23 HH11 ARG 23 1.266 -13.993 -3.443 120 1HH2 ARG 23 HH22 ARG 23 1.522 -13.520 0.036 121 2HH2 ARG 23 HH21 ARG 23 1.505 -14.691 -1.258 122 H GLU 24 HN GLU 24 0.029 -8.459 0.976 123 HA GLU 24 HA GLU 24 -1.277 -10.957 1.348 124 1HB GLU 24 HB2 GLU 24 0.997 -9.906 2.298 125 2HB GLU 24 HB3 GLU 24 -0.047 -9.585 3.678 126 1HG GLU 24 HG2 GLU 24 1.017 -11.658 4.066 127 2HG GLU 24 HG3 GLU 24 -0.662 -12.011 3.663 128 H LEU 25 HN LEU 25 -1.810 -7.723 2.556 129 HA LEU 25 HA LEU 25 -3.770 -8.439 4.509 130 1HB LEU 25 HB2 LEU 25 -2.298 -6.200 3.927 131 2HB LEU 25 HB3 LEU 25 -3.890 -5.735 3.372 132 HG LEU 25 HG LEU 25 -2.840 -5.878 6.056 133 1HD1 LEU 25 HD11 LEU 25 -3.723 -3.861 5.631 134 2HD1 LEU 25 HD12 LEU 25 -4.974 -4.512 4.570 135 3HD1 LEU 25 HD13 LEU 25 -5.159 -4.630 6.321 136 1HD2 LEU 25 HD21 LEU 25 -5.084 -7.677 5.411 137 2HD2 LEU 25 HD22 LEU 25 -3.938 -7.712 6.755 138 3HD2 LEU 25 HD23 LEU 25 -5.314 -6.615 6.804 139 H SER 26 HN SER 26 -3.849 -7.205 1.190 140 HA SER 26 HA SER 26 -6.630 -6.919 0.958 141 1HB SER 26 HB2 SER 26 -4.340 -6.638 -0.693 142 2HB SER 26 HB3 SER 26 -5.501 -7.634 -1.565 143 HG SER 26 HG SER 26 -6.229 -5.220 -0.296 144 H LEU 27 HN LEU 27 -4.571 -9.743 0.508 145 HA LEU 27 HA LEU 27 -6.687 -11.288 -0.663 146 1HB LEU 27 HB2 LEU 27 -3.867 -11.645 -0.075 147 2HB LEU 27 HB3 LEU 27 -4.805 -13.080 0.297 148 HG LEU 27 HG LEU 27 -5.745 -12.940 -2.045 149 1HD1 LEU 27 HD11 LEU 27 -3.437 -11.412 -2.986 150 2HD1 LEU 27 HD12 LEU 27 -5.115 -11.390 -3.527 151 3HD1 LEU 27 HD13 LEU 27 -4.633 -10.458 -2.110 152 1HD2 LEU 27 HD21 LEU 27 -2.836 -13.441 -1.507 153 2HD2 LEU 27 HD22 LEU 27 -4.151 -14.608 -1.649 154 3HD2 LEU 27 HD23 LEU 27 -3.570 -13.761 -3.080 155 H ASN 28 HN ASN 28 -5.372 -10.752 2.508 156 HA ASN 28 HA ASN 28 -6.687 -12.934 3.778 157 1HB ASN 28 HB2 ASN 28 -5.036 -10.646 4.591 158 2HB ASN 28 HB3 ASN 28 -6.266 -11.082 5.770 159 1HD2 ASN 28 HD21 ASN 28 -3.171 -11.576 4.936 160 2HD2 ASN 28 HD22 ASN 28 -2.911 -13.144 5.632 161 H LEU 29 HN LEU 29 -7.308 -9.422 3.822 162 HA LEU 29 HA LEU 29 -9.791 -9.633 5.165 163 1HB LEU 29 HB2 LEU 29 -8.748 -7.425 3.383 164 2HB LEU 29 HB3 LEU 29 -10.150 -7.296 4.426 165 HG LEU 29 HG LEU 29 -7.507 -7.997 5.621 166 1HD1 LEU 29 HD11 LEU 29 -8.122 -5.567 4.179 167 2HD1 LEU 29 HD12 LEU 29 -7.746 -5.253 5.876 168 3HD1 LEU 29 HD13 LEU 29 -6.591 -6.119 4.865 169 1HD2 LEU 29 HD21 LEU 29 -9.943 -7.786 6.705 170 2HD2 LEU 29 HD22 LEU 29 -8.463 -7.373 7.572 171 3HD2 LEU 29 HD23 LEU 29 -9.426 -6.101 6.825 172 H GLY 30 HN GLY 30 -8.845 -9.682 1.795 173 1HA GLY 30 HA1 GLY 30 -11.356 -9.281 0.617 174 2HA GLY 30 HA2 GLY 30 -10.007 -10.135 -0.121 175 H ASN 31 HN ASN 31 -9.710 -12.304 1.540 176 HA ASN 31 HA ASN 31 -11.941 -13.917 0.705 177 1HB ASN 31 HB2 ASN 31 -9.376 -14.519 0.950 178 2HB ASN 31 HB3 ASN 31 -9.863 -14.969 2.581 179 1HD2 ASN 31 HD21 ASN 31 -10.120 -15.672 -0.798 180 2HD2 ASN 31 HD22 ASN 31 -10.882 -17.225 -0.640 181 H ARG 32 HN ARG 32 -11.289 -12.055 3.435 182 HA ARG 32 HA ARG 32 -12.917 -13.686 5.223 183 1HB ARG 32 HB2 ARG 32 -10.751 -12.097 5.699 184 2HB ARG 32 HB3 ARG 32 -12.063 -10.993 6.089 185 1HG ARG 32 HG2 ARG 32 -12.504 -12.031 8.001 186 2HG ARG 32 HG3 ARG 32 -12.405 -13.634 7.264 187 1HD ARG 32 HD2 ARG 32 -10.042 -11.926 8.019 188 2HD ARG 32 HD3 ARG 32 -10.686 -13.224 9.016 189 HE ARG 32 HE ARG 32 -10.155 -14.311 6.527 190 1HH1 ARG 32 HH12 ARG 32 -8.347 -12.809 9.130 191 2HH1 ARG 32 HH11 ARG 32 -6.900 -13.713 8.798 192 1HH2 ARG 32 HH22 ARG 32 -8.223 -15.436 6.055 193 2HH2 ARG 32 HH21 ARG 32 -6.825 -15.187 7.062 194 H MET 33 HN MET 33 -13.372 -11.440 2.855 195 HA MET 33 HA MET 33 -15.717 -10.176 4.069 196 1HB MET 33 HB2 MET 33 -13.781 -9.227 2.329 197 2HB MET 33 HB3 MET 33 -15.147 -9.539 1.272 198 1HG MET 33 HG2 MET 33 -16.197 -7.712 1.963 199 2HG MET 33 HG3 MET 33 -15.991 -8.162 3.657 200 1HE MET 33 HE1 MET 33 -14.360 -4.624 1.792 201 2HE MET 33 HE2 MET 33 -14.221 -5.966 0.660 202 3HE MET 33 HE3 MET 33 -15.767 -5.630 1.441 203 H VAL 34 HN VAL 34 -17.775 -10.216 2.906 204 HA VAL 34 HA VAL 34 -18.048 -12.479 1.046 205 HB VAL 34 HB VAL 34 -19.996 -11.946 3.301 206 1HG1 VAL 34 HG11 VAL 34 -19.837 -13.965 1.093 207 2HG1 VAL 34 HG12 VAL 34 -20.756 -14.283 2.563 208 3HG1 VAL 34 HG13 VAL 34 -21.181 -12.915 1.536 209 1HG2 VAL 34 HG21 VAL 34 -17.520 -13.317 3.406 210 2HG2 VAL 34 HG22 VAL 34 -18.768 -13.227 4.648 211 3HG2 VAL 34 HG23 VAL 34 -18.799 -14.530 3.459 212 HA PRO 35 HA PRO 35 -18.933 -13.048 -0.747 213 1HB PRO 35 HB2 PRO 35 -18.486 -12.159 -3.279 214 2HB PRO 35 HB3 PRO 35 -20.069 -12.695 -2.704 215 1HG PRO 35 HG2 PRO 35 -19.006 -9.913 -3.009 216 2HG PRO 35 HG3 PRO 35 -20.610 -10.556 -3.406 217 1HD PRO 35 HD2 PRO 35 -20.126 -9.153 -1.147 218 2HD PRO 35 HD3 PRO 35 -21.346 -10.438 -1.231 219 HA PRO 36 HA PRO 36 -14.607 -12.342 -0.123 220 1HB PRO 36 HB2 PRO 36 -14.293 -14.437 -2.225 221 2HB PRO 36 HB3 PRO 36 -13.570 -14.337 -0.619 222 1HG PRO 36 HG2 PRO 36 -15.570 -16.003 -1.063 223 2HG PRO 36 HG3 PRO 36 -15.512 -15.063 0.445 224 1HD PRO 36 HD2 PRO 36 -17.180 -14.626 -1.996 225 2HD PRO 36 HD3 PRO 36 -17.618 -14.436 -0.288 226 H VAL 37 HN VAL 37 -13.385 -10.805 -0.925 227 HA VAL 37 HA VAL 37 -13.721 -9.974 -3.689 228 HB VAL 37 HB VAL 37 -11.730 -8.485 -2.163 229 1HG1 VAL 37 HG11 VAL 37 -13.301 -6.607 -2.777 230 2HG1 VAL 37 HG12 VAL 37 -12.649 -7.544 -4.124 231 3HG1 VAL 37 HG13 VAL 37 -14.301 -7.822 -3.574 232 1HG2 VAL 37 HG21 VAL 37 -14.415 -8.977 -0.940 233 2HG2 VAL 37 HG22 VAL 37 -12.832 -8.893 -0.168 234 3HG2 VAL 37 HG23 VAL 37 -13.623 -7.414 -0.725 235 H GLY 38 HN GLY 38 -12.476 -10.914 -5.199 236 1HA GLY 38 HA1 GLY 38 -10.103 -12.356 -4.601 237 2HA GLY 38 HA2 GLY 38 -10.626 -11.865 -6.215 238 H ASN 39 HN ASN 39 -10.855 -9.087 -5.291 239 HA ASN 39 HA ASN 39 -8.060 -8.343 -4.882 240 1HB ASN 39 HB2 ASN 39 -9.317 -8.149 -7.382 241 2HB ASN 39 HB3 ASN 39 -9.323 -6.511 -6.739 242 1HD2 ASN 39 HD21 ASN 39 -6.966 -9.070 -6.171 243 2HD2 ASN 39 HD22 ASN 39 -5.639 -8.240 -6.906 244 H PHE 40 HN PHE 40 -8.808 -7.949 -2.780 245 HA PHE 40 HA PHE 40 -10.895 -6.388 -1.903 246 1HB PHE 40 HB2 PHE 40 -9.519 -7.679 -0.401 247 2HB PHE 40 HB3 PHE 40 -8.093 -6.745 -0.817 248 HD1 PHE 40 HD1 PHE 40 -7.361 -5.336 0.848 249 HD2 PHE 40 HD2 PHE 40 -11.535 -6.060 0.446 250 HE1 PHE 40 HE1 PHE 40 -7.809 -3.855 2.764 251 HE2 PHE 40 HE2 PHE 40 -12.006 -4.584 2.348 252 HZ PHE 40 HZ PHE 40 -10.013 -3.533 3.590 253 H MET 41 HN MET 41 -7.789 -5.447 -3.156 254 HA MET 41 HA MET 41 -8.752 -2.745 -3.626 255 1HB MET 41 HB2 MET 41 -7.306 -2.848 -1.479 256 2HB MET 41 HB3 MET 41 -5.967 -3.203 -2.563 257 1HG MET 41 HG2 MET 41 -6.181 -0.822 -1.879 258 2HG MET 41 HG3 MET 41 -6.133 -1.102 -3.616 259 1HE MET 41 HE1 MET 41 -9.438 0.517 -1.011 260 2HE MET 41 HE2 MET 41 -7.835 -0.091 -0.585 261 3HE MET 41 HE3 MET 41 -8.000 1.473 -1.375 262 HA PRO 42 HA PRO 42 -7.225 -4.109 -7.566 263 1HB PRO 42 HB2 PRO 42 -7.078 -1.200 -8.132 264 2HB PRO 42 HB3 PRO 42 -7.881 -2.491 -9.034 265 1HG PRO 42 HG2 PRO 42 -9.307 -0.775 -7.570 266 2HG PRO 42 HG3 PRO 42 -9.741 -2.492 -7.655 267 1HD PRO 42 HD2 PRO 42 -8.376 -0.991 -5.464 268 2HD PRO 42 HD3 PRO 42 -9.568 -2.300 -5.368 269 H ASP 43 HN ASP 43 -5.270 -4.430 -8.446 270 HA ASP 43 HA ASP 43 -2.933 -3.938 -7.075 271 1HB ASP 43 HB2 ASP 43 -2.682 -5.614 -8.621 272 2HB ASP 43 HB3 ASP 43 -3.583 -4.758 -9.864 273 H SER 44 HN SER 44 -4.516 -1.996 -9.525 274 HA SER 44 HA SER 44 -2.485 -0.141 -10.058 275 1HB SER 44 HB2 SER 44 -5.228 0.927 -10.086 276 2HB SER 44 HB3 SER 44 -4.057 0.794 -11.401 277 HG SER 44 HG SER 44 -4.840 -1.121 -11.933 278 H ILE 45 HN ILE 45 -5.168 -0.010 -7.711 279 HA ILE 45 HA ILE 45 -4.350 2.475 -6.590 280 HB ILE 45 HB ILE 45 -6.035 0.397 -5.182 281 1HG1 ILE 45 HG12 ILE 45 -6.637 1.310 -7.683 282 2HG1 ILE 45 HG13 ILE 45 -7.836 0.819 -6.495 283 1HG2 ILE 45 HG21 ILE 45 -5.553 3.335 -4.865 284 2HG2 ILE 45 HG22 ILE 45 -7.104 2.650 -4.386 285 3HG2 ILE 45 HG23 ILE 45 -5.618 2.064 -3.642 286 1HD1 ILE 45 HD11 ILE 45 -8.238 3.010 -7.670 287 2HD1 ILE 45 HD12 ILE 45 -8.299 3.048 -5.903 288 3HD1 ILE 45 HD13 ILE 45 -6.877 3.647 -6.749 289 H LEU 46 HN LEU 46 -3.676 -0.915 -5.848 290 HA LEU 46 HA LEU 46 -2.473 -0.529 -3.337 291 1HB LEU 46 HB2 LEU 46 -1.891 -2.619 -5.445 292 2HB LEU 46 HB3 LEU 46 -1.244 -2.652 -3.820 293 HG LEU 46 HG LEU 46 -4.204 -2.690 -4.359 294 1HD1 LEU 46 HD11 LEU 46 -2.370 -5.051 -3.967 295 2HD1 LEU 46 HD12 LEU 46 -4.120 -5.094 -4.196 296 3HD1 LEU 46 HD13 LEU 46 -3.068 -4.566 -5.511 297 1HD2 LEU 46 HD21 LEU 46 -2.466 -2.806 -2.014 298 2HD2 LEU 46 HD22 LEU 46 -4.185 -2.420 -2.134 299 3HD2 LEU 46 HD23 LEU 46 -3.663 -4.105 -2.077 300 H LYS 47 HN LYS 47 -1.214 -0.274 -6.616 301 HA LYS 47 HA LYS 47 1.501 -0.004 -5.853 302 1HB LYS 47 HB2 LYS 47 -0.051 0.245 -8.345 303 2HB LYS 47 HB3 LYS 47 1.442 1.174 -8.286 304 1HG LYS 47 HG2 LYS 47 2.753 -0.757 -7.966 305 2HG LYS 47 HG3 LYS 47 1.341 -1.744 -7.585 306 1HD LYS 47 HD2 LYS 47 0.573 -1.200 -9.987 307 2HD LYS 47 HD3 LYS 47 2.245 -0.696 -10.250 308 1HE LYS 47 HE2 LYS 47 3.074 -2.864 -9.784 309 2HE LYS 47 HE3 LYS 47 1.529 -3.388 -9.116 310 1HZ LYS 47 HZ1 LYS 47 0.989 -4.120 -11.108 311 2HZ LYS 47 HZ2 LYS 47 2.441 -3.538 -11.764 312 3HZ LYS 47 HZ3 LYS 47 1.073 -2.543 -11.719 313 H LYS 48 HN LYS 48 -0.899 2.466 -6.858 314 HA LYS 48 HA LYS 48 0.906 4.613 -6.479 315 1HB LYS 48 HB2 LYS 48 -1.320 5.962 -6.277 316 2HB LYS 48 HB3 LYS 48 -0.846 5.255 -7.808 317 1HG LYS 48 HG2 LYS 48 -2.336 3.331 -7.305 318 2HG LYS 48 HG3 LYS 48 -2.891 4.200 -5.874 319 1HD LYS 48 HD2 LYS 48 -4.438 5.136 -7.191 320 2HD LYS 48 HD3 LYS 48 -3.126 6.067 -7.915 321 1HE LYS 48 HE2 LYS 48 -2.801 4.158 -9.521 322 2HE LYS 48 HE3 LYS 48 -4.284 3.459 -8.871 323 1HZ LYS 48 HZ1 LYS 48 -4.067 6.115 -10.202 324 2HZ LYS 48 HZ2 LYS 48 -5.495 5.424 -9.584 325 3HZ LYS 48 HZ3 LYS 48 -4.707 4.704 -10.895 326 H MET 49 HN MET 49 -1.453 3.080 -4.342 327 HA MET 49 HA MET 49 -1.192 5.000 -2.266 328 1HB MET 49 HB2 MET 49 -2.873 3.865 -1.332 329 2HB MET 49 HB3 MET 49 -2.862 2.836 -2.753 330 1HG MET 49 HG2 MET 49 -2.034 1.089 -1.623 331 2HG MET 49 HG3 MET 49 -0.940 2.101 -0.682 332 1HE MET 49 HE1 MET 49 -4.273 0.014 -0.475 333 2HE MET 49 HE2 MET 49 -5.344 1.185 0.295 334 3HE MET 49 HE3 MET 49 -4.698 1.503 -1.318 335 H ALA 50 HN ALA 50 0.613 2.180 -3.192 336 HA ALA 50 HA ALA 50 2.093 2.028 -0.729 337 1HB ALA 50 HB1 ALA 50 2.183 0.620 -3.345 338 2HB ALA 50 HB2 ALA 50 3.592 0.543 -2.287 339 3HB ALA 50 HB3 ALA 50 2.030 -0.038 -1.715 340 H ALA 51 HN ALA 51 2.440 3.582 -3.826 341 HA ALA 51 HA ALA 51 5.219 4.233 -3.438 342 1HB ALA 51 HB1 ALA 51 3.439 4.164 -5.611 343 2HB ALA 51 HB2 ALA 51 3.983 5.833 -5.461 344 3HB ALA 51 HB3 ALA 51 5.163 4.533 -5.637 345 H ILE 52 HN ILE 52 2.128 5.946 -3.173 346 HA ILE 52 HA ILE 52 3.535 8.387 -2.414 347 HB ILE 52 HB ILE 52 0.683 7.709 -3.006 348 1HG1 ILE 52 HG12 ILE 52 1.394 10.077 -4.257 349 2HG1 ILE 52 HG13 ILE 52 2.889 9.142 -4.278 350 1HG2 ILE 52 HG21 ILE 52 0.100 9.061 -1.294 351 2HG2 ILE 52 HG22 ILE 52 1.633 9.931 -1.306 352 3HG2 ILE 52 HG23 ILE 52 0.397 10.302 -2.511 353 1HD1 ILE 52 HD11 ILE 52 2.064 7.610 -5.710 354 2HD1 ILE 52 HD12 ILE 52 0.418 7.740 -5.088 355 3HD1 ILE 52 HD13 ILE 52 1.046 8.973 -6.183 356 H LEU 53 HN LEU 53 1.397 5.967 -1.039 357 HA LEU 53 HA LEU 53 0.813 5.400 1.061 358 1HB LEU 53 HB2 LEU 53 3.539 6.494 1.363 359 2HB LEU 53 HB3 LEU 53 2.607 6.318 2.834 360 HG LEU 53 HG LEU 53 2.927 4.041 0.907 361 1HD1 LEU 53 HD11 LEU 53 4.661 3.486 2.935 362 2HD1 LEU 53 HD12 LEU 53 5.120 4.084 1.341 363 3HD1 LEU 53 HD13 LEU 53 4.933 5.210 2.690 364 1HD2 LEU 53 HD21 LEU 53 2.517 4.009 3.881 365 2HD2 LEU 53 HD22 LEU 53 1.179 4.067 2.733 366 3HD2 LEU 53 HD23 LEU 53 2.295 2.699 2.725 367 HA PRO 54 HA PRO 54 -0.907 9.542 2.002 368 1HB PRO 54 HB2 PRO 54 -3.467 8.925 1.158 369 2HB PRO 54 HB3 PRO 54 -2.241 9.743 0.188 370 1HG PRO 54 HG2 PRO 54 -3.347 7.123 -0.194 371 2HG PRO 54 HG3 PRO 54 -2.116 7.941 -1.166 372 1HD PRO 54 HD2 PRO 54 -1.803 5.887 0.922 373 2HD PRO 54 HD3 PRO 54 -0.694 6.347 -0.386 374 H MET 55 HN MET 55 -1.037 9.519 4.161 375 HA MET 55 HA MET 55 -2.529 7.499 5.580 376 1HB MET 55 HB2 MET 55 -0.428 9.302 6.178 377 2HB MET 55 HB3 MET 55 -1.766 9.709 7.245 378 1HG MET 55 HG2 MET 55 -1.292 6.847 7.100 379 2HG MET 55 HG3 MET 55 0.121 7.744 7.650 380 1HE MET 55 HE1 MET 55 -3.473 6.530 9.933 381 2HE MET 55 HE2 MET 55 -3.950 7.535 8.563 382 3HE MET 55 HE3 MET 55 -2.950 6.106 8.303 383 H ASN 56 HN ASN 56 -2.722 11.006 5.156 384 HA ASN 56 HA ASN 56 -5.277 11.135 6.481 385 1HB ASN 56 HB2 ASN 56 -4.414 13.158 6.912 386 2HB ASN 56 HB3 ASN 56 -3.187 12.973 5.666 387 1HD2 ASN 56 HD21 ASN 56 -6.391 14.106 6.400 388 2HD2 ASN 56 HD22 ASN 56 -6.545 15.156 5.021 389 H ASP 57 HN ASP 57 -7.255 11.700 5.533 390 HA ASP 57 HA ASP 57 -7.802 10.450 3.068 391 1HB ASP 57 HB2 ASP 57 -9.546 12.425 4.537 392 2HB ASP 57 HB3 ASP 57 -10.073 11.267 3.323 393 H SER 58 HN SER 58 -7.034 13.806 3.771 394 HA SER 58 HA SER 58 -8.049 14.862 1.328 395 1HB SER 58 HB2 SER 58 -5.776 16.152 2.764 396 2HB SER 58 HB3 SER 58 -7.188 16.896 2.018 397 HG SER 58 HG SER 58 -8.444 15.949 3.741 398 H ALA 59 HN ALA 59 -4.979 13.487 2.312 399 HA ALA 59 HA ALA 59 -3.476 14.172 0.005 400 1HB ALA 59 HB1 ALA 59 -2.781 13.168 2.385 401 2HB ALA 59 HB2 ALA 59 -2.818 11.668 1.460 402 3HB ALA 59 HB3 ALA 59 -1.774 12.995 0.951 403 H PHE 60 HN PHE 60 -5.823 11.790 0.738 404 HA PHE 60 HA PHE 60 -5.220 9.799 -1.132 405 1HB PHE 60 HB2 PHE 60 -7.589 10.603 0.454 406 2HB PHE 60 HB3 PHE 60 -7.930 9.665 -0.990 407 HD1 PHE 60 HD1 PHE 60 -7.965 9.118 2.199 408 HD2 PHE 60 HD2 PHE 60 -5.572 7.940 -1.106 409 HE1 PHE 60 HE1 PHE 60 -7.355 7.049 3.384 410 HE2 PHE 60 HE2 PHE 60 -4.952 5.878 0.064 411 HZ PHE 60 HZ PHE 60 -5.853 5.421 2.292 412 H ALA 61 HN ALA 61 -6.509 12.980 -1.597 413 HA ALA 61 HA ALA 61 -7.966 12.612 -3.969 414 1HB ALA 61 HB1 ALA 61 -6.984 15.136 -4.229 415 2HB ALA 61 HB2 ALA 61 -8.414 14.699 -3.295 416 3HB ALA 61 HB3 ALA 61 -6.855 14.875 -2.490 417 H THR 62 HN THR 62 -4.508 12.796 -3.429 418 HA THR 62 HA THR 62 -3.884 13.275 -6.200 419 HB THR 62 HB THR 62 -1.577 12.387 -5.039 420 HG1 THR 62 HG1 THR 62 -1.489 13.248 -3.017 421 1HG2 THR 62 HG21 THR 62 -2.756 14.952 -5.836 422 2HG2 THR 62 HG22 THR 62 -1.240 14.198 -6.327 423 3HG2 THR 62 HG23 THR 62 -1.349 15.037 -4.779 424 H LEU 63 HN LEU 63 -4.866 10.599 -4.494 425 HA LEU 63 HA LEU 63 -3.293 8.582 -5.824 426 1HB LEU 63 HB2 LEU 63 -5.732 8.603 -4.080 427 2HB LEU 63 HB3 LEU 63 -5.442 7.189 -5.069 428 HG LEU 63 HG LEU 63 -3.934 8.193 -2.706 429 1HD1 LEU 63 HD11 LEU 63 -4.020 5.872 -2.071 430 2HD1 LEU 63 HD12 LEU 63 -5.634 6.422 -2.519 431 3HD1 LEU 63 HD13 LEU 63 -4.698 5.433 -3.639 432 1HD2 LEU 63 HD21 LEU 63 -2.042 8.039 -3.963 433 2HD2 LEU 63 HD22 LEU 63 -2.218 6.353 -3.477 434 3HD2 LEU 63 HD23 LEU 63 -2.738 6.867 -5.083 435 H GLY 64 HN GLY 64 -6.000 10.550 -6.522 436 1HA GLY 64 HA1 GLY 64 -6.486 10.668 -8.976 437 2HA GLY 64 HA2 GLY 64 -6.691 8.921 -8.891 438 H THR 65 HN THR 65 -8.776 8.462 -9.034 439 HA THR 65 HA THR 65 -10.636 10.086 -7.443 440 HB THR 65 HB THR 65 -11.880 8.625 -9.574 441 HG1 THR 65 HG1 THR 65 -10.194 10.738 -10.442 442 1HG2 THR 65 HG21 THR 65 -11.790 11.488 -8.673 443 2HG2 THR 65 HG22 THR 65 -13.125 10.344 -8.552 444 3HG2 THR 65 HG23 THR 65 -12.667 10.995 -10.122 445 H VAL 66 HN VAL 66 -10.064 8.454 -5.698 446 HA VAL 66 HA VAL 66 -10.923 5.754 -6.090 447 HB VAL 66 HB VAL 66 -10.711 5.518 -3.614 448 1HG1 VAL 66 HG11 VAL 66 -8.808 5.242 -5.235 449 2HG1 VAL 66 HG12 VAL 66 -8.305 6.874 -4.795 450 3HG1 VAL 66 HG13 VAL 66 -8.343 5.611 -3.573 451 1HG2 VAL 66 HG21 VAL 66 -11.284 7.994 -3.208 452 2HG2 VAL 66 HG22 VAL 66 -10.039 7.249 -2.206 453 3HG2 VAL 66 HG23 VAL 66 -9.582 8.294 -3.556 454 H GLU 67 HN GLU 67 -12.899 4.890 -5.824 455 HA GLU 67 HA GLU 67 -15.149 6.585 -5.650 456 1HB GLU 67 HB2 GLU 67 -14.646 3.684 -5.875 457 2HB GLU 67 HB3 GLU 67 -16.215 4.161 -5.261 458 1HG GLU 67 HG2 GLU 67 -16.921 4.795 -7.255 459 2HG GLU 67 HG3 GLU 67 -15.415 5.634 -7.633 460 H ASP 68 HN ASP 68 -16.989 6.133 -4.124 461 HA ASP 68 HA ASP 68 -16.196 6.667 -1.461 462 1HB ASP 68 HB2 ASP 68 -18.294 7.546 -1.989 463 2HB ASP 68 HB3 ASP 68 -18.809 6.089 -2.827 464 H LYS 69 HN LYS 69 -17.190 3.793 -3.191 465 HA LYS 69 HA LYS 69 -17.426 2.093 -0.943 466 1HB LYS 69 HB2 LYS 69 -17.151 0.245 -2.627 467 2HB LYS 69 HB3 LYS 69 -18.443 1.388 -2.974 468 1HG LYS 69 HG2 LYS 69 -16.681 2.564 -4.460 469 2HG LYS 69 HG3 LYS 69 -15.811 1.032 -4.356 470 1HD LYS 69 HD2 LYS 69 -18.539 0.478 -4.934 471 2HD LYS 69 HD3 LYS 69 -17.970 1.717 -6.054 472 1HE LYS 69 HE2 LYS 69 -15.904 -0.165 -5.876 473 2HE LYS 69 HE3 LYS 69 -17.391 -1.104 -5.999 474 1HZ LYS 69 HZ1 LYS 69 -16.357 -0.518 -8.164 475 2HZ LYS 69 HZ2 LYS 69 -16.685 1.116 -7.840 476 3HZ LYS 69 HZ3 LYS 69 -17.962 0.009 -8.005 477 H TYR 70 HN TYR 70 -14.747 3.261 -2.796 478 HA TYR 70 HA TYR 70 -12.856 1.308 -1.843 479 1HB TYR 70 HB2 TYR 70 -12.617 3.892 -3.382 480 2HB TYR 70 HB3 TYR 70 -11.190 3.072 -2.771 481 HD1 TYR 70 HD1 TYR 70 -10.088 1.730 -4.262 482 HD2 TYR 70 HD2 TYR 70 -14.278 2.245 -4.677 483 HE1 TYR 70 HE1 TYR 70 -10.049 0.309 -6.263 484 HE2 TYR 70 HE2 TYR 70 -14.266 0.832 -6.684 485 HH TYR 70 HH TYR 70 -12.547 -1.162 -7.515 486 H ARG 71 HN ARG 71 -13.772 4.628 -1.108 487 HA ARG 71 HA ARG 71 -11.785 5.192 0.818 488 1HB ARG 71 HB2 ARG 71 -14.248 6.400 -0.159 489 2HB ARG 71 HB3 ARG 71 -14.070 6.615 1.573 490 1HG ARG 71 HG2 ARG 71 -11.636 7.168 0.066 491 2HG ARG 71 HG3 ARG 71 -12.992 8.233 -0.325 492 1HD ARG 71 HD2 ARG 71 -11.982 7.644 2.446 493 2HD ARG 71 HD3 ARG 71 -11.559 9.080 1.521 494 HE ARG 71 HE ARG 71 -13.915 9.723 1.639 495 1HH1 ARG 71 HH12 ARG 71 -12.729 7.298 3.855 496 2HH1 ARG 71 HH11 ARG 71 -14.009 7.513 5.009 497 1HH2 ARG 71 HH22 ARG 71 -15.616 10.056 3.156 498 2HH2 ARG 71 HH21 ARG 71 -15.654 9.111 4.615 499 H ARG 72 HN ARG 72 -14.930 3.636 1.015 500 HA ARG 72 HA ARG 72 -15.359 3.614 3.758 501 1HB ARG 72 HB2 ARG 72 -16.072 1.752 1.543 502 2HB ARG 72 HB3 ARG 72 -16.463 1.330 3.200 503 1HG ARG 72 HG2 ARG 72 -17.842 3.326 3.398 504 2HG ARG 72 HG3 ARG 72 -17.405 3.802 1.751 505 1HD ARG 72 HD2 ARG 72 -18.202 1.224 1.441 506 2HD ARG 72 HD3 ARG 72 -19.306 1.811 2.690 507 HE ARG 72 HE ARG 72 -19.257 3.729 0.683 508 1HH1 ARG 72 HH12 ARG 72 -20.153 0.371 1.022 509 2HH1 ARG 72 HH11 ARG 72 -21.396 0.438 -0.193 510 1HH2 ARG 72 HH22 ARG 72 -20.840 3.835 -0.949 511 2HH2 ARG 72 HH21 ARG 72 -21.790 2.420 -1.329 512 H ARG 73 HN ARG 73 -14.437 0.675 2.031 513 HA ARG 73 HA ARG 73 -13.321 -0.558 4.300 514 1HB ARG 73 HB2 ARG 73 -13.133 -2.419 3.023 515 2HB ARG 73 HB3 ARG 73 -14.214 -1.522 1.970 516 1HG ARG 73 HG2 ARG 73 -11.246 -1.335 1.622 517 2HG ARG 73 HG3 ARG 73 -12.154 -2.699 0.959 518 1HD ARG 73 HD2 ARG 73 -13.684 -0.705 0.081 519 2HD ARG 73 HD3 ARG 73 -12.155 0.163 0.220 520 HE ARG 73 HE ARG 73 -11.204 -1.568 -1.265 521 1HH1 ARG 73 HH12 ARG 73 -14.659 -0.950 -1.294 522 2HH1 ARG 73 HH11 ARG 73 -14.912 -1.707 -2.834 523 1HH2 ARG 73 HH22 ARG 73 -11.517 -2.499 -3.306 524 2HH2 ARG 73 HH21 ARG 73 -13.107 -2.549 -4.008 525 H PHE 74 HN PHE 74 -12.093 1.911 2.488 526 HA PHE 74 HA PHE 74 -9.344 1.324 2.194 527 1HB PHE 74 HB2 PHE 74 -10.969 3.592 1.883 528 2HB PHE 74 HB3 PHE 74 -9.770 4.055 3.092 529 HD1 PHE 74 HD1 PHE 74 -10.236 4.998 0.132 530 HD2 PHE 74 HD2 PHE 74 -7.505 2.322 2.005 531 HE1 PHE 74 HE1 PHE 74 -8.595 5.438 -1.640 532 HE2 PHE 74 HE2 PHE 74 -5.865 2.767 0.227 533 HZ PHE 74 HZ PHE 74 -6.399 4.320 -1.582 534 H LYS 75 HN LYS 75 -11.273 2.243 4.944 535 HA LYS 75 HA LYS 75 -9.316 2.952 6.796 536 1HB LYS 75 HB2 LYS 75 -10.998 2.367 8.513 537 2HB LYS 75 HB3 LYS 75 -11.678 3.330 7.209 538 1HG LYS 75 HG2 LYS 75 -13.291 1.808 7.059 539 2HG LYS 75 HG3 LYS 75 -12.085 0.696 6.393 540 1HD LYS 75 HD2 LYS 75 -11.812 -0.395 8.406 541 2HD LYS 75 HD3 LYS 75 -12.303 1.004 9.363 542 1HE LYS 75 HE2 LYS 75 -14.570 0.460 7.956 543 2HE LYS 75 HE3 LYS 75 -13.911 -1.157 8.211 544 1HZ LYS 75 HZ1 LYS 75 -13.724 -0.554 10.607 545 2HZ LYS 75 HZ2 LYS 75 -15.311 -0.674 10.031 546 3HZ LYS 75 HZ3 LYS 75 -14.602 0.857 10.272 547 H TYR 76 HN TYR 76 -10.173 -0.213 5.576 548 HA TYR 76 HA TYR 76 -9.073 -1.686 7.774 549 1HB TYR 76 HB2 TYR 76 -9.880 -2.393 4.965 550 2HB TYR 76 HB3 TYR 76 -9.069 -3.566 5.998 551 HD1 TYR 76 HD1 TYR 76 -12.176 -2.319 4.979 552 HD2 TYR 76 HD2 TYR 76 -10.156 -3.844 8.393 553 HE1 TYR 76 HE1 TYR 76 -14.339 -2.910 5.986 554 HE2 TYR 76 HE2 TYR 76 -12.315 -4.445 9.413 555 HH TYR 76 HH TYR 76 -14.504 -4.514 9.167 556 H PHE 77 HN PHE 77 -7.740 0.106 5.273 557 HA PHE 77 HA PHE 77 -5.160 -1.315 5.366 558 1HB PHE 77 HB2 PHE 77 -6.518 0.466 3.385 559 2HB PHE 77 HB3 PHE 77 -4.767 0.535 3.480 560 HD1 PHE 77 HD1 PHE 77 -6.953 -0.524 1.370 561 HD2 PHE 77 HD2 PHE 77 -4.105 -2.308 3.971 562 HE1 PHE 77 HE1 PHE 77 -6.820 -2.466 -0.123 563 HE2 PHE 77 HE2 PHE 77 -3.968 -4.266 2.488 564 HZ PHE 77 HZ PHE 77 -5.323 -4.347 0.435 565 H LYS 78 HN LYS 78 -6.879 1.413 6.450 566 HA LYS 78 HA LYS 78 -5.012 3.440 6.570 567 1HB LYS 78 HB2 LYS 78 -7.575 3.158 7.376 568 2HB LYS 78 HB3 LYS 78 -6.764 3.172 8.933 569 1HG LYS 78 HG2 LYS 78 -7.550 5.396 8.204 570 2HG LYS 78 HG3 LYS 78 -5.807 5.321 8.481 571 1HD LYS 78 HD2 LYS 78 -5.457 6.066 6.418 572 2HD LYS 78 HD3 LYS 78 -6.256 4.634 5.774 573 1HE LYS 78 HE2 LYS 78 -7.649 6.155 4.868 574 2HE LYS 78 HE3 LYS 78 -8.408 6.093 6.459 575 1HZ LYS 78 HZ1 LYS 78 -7.923 8.370 5.589 576 2HZ LYS 78 HZ2 LYS 78 -6.271 8.026 5.766 577 3HZ LYS 78 HZ3 LYS 78 -7.288 8.048 7.126 578 H ALA 79 HN ALA 79 -5.286 0.637 8.691 579 HA ALA 79 HA ALA 79 -3.469 1.667 10.654 580 1HB ALA 79 HB1 ALA 79 -4.179 -1.223 10.171 581 2HB ALA 79 HB2 ALA 79 -3.550 -0.505 11.654 582 3HB ALA 79 HB3 ALA 79 -5.180 -0.109 11.105 583 H THR 80 HN THR 80 -3.257 -0.270 7.763 584 HA THR 80 HA THR 80 -0.526 -1.023 8.103 585 HB THR 80 HB THR 80 -1.617 -1.040 5.369 586 HG1 THR 80 HG1 THR 80 -2.869 -2.909 7.000 587 1HG2 THR 80 HG21 THR 80 0.265 -2.396 5.738 588 2HG2 THR 80 HG22 THR 80 -1.083 -3.533 5.738 589 3HG2 THR 80 HG23 THR 80 -0.367 -3.013 7.264 590 H ILE 81 HN ILE 81 -2.250 1.393 6.139 591 HA ILE 81 HA ILE 81 -0.001 2.451 4.812 592 HB ILE 81 HB ILE 81 -2.500 3.986 5.564 593 1HG1 ILE 81 HG12 ILE 81 -2.095 2.507 2.978 594 2HG1 ILE 81 HG13 ILE 81 -2.825 1.728 4.378 595 1HG2 ILE 81 HG21 ILE 81 -1.398 5.653 4.559 596 2HG2 ILE 81 HG22 ILE 81 -0.190 4.558 3.884 597 3HG2 ILE 81 HG23 ILE 81 -1.733 4.781 3.058 598 1HD1 ILE 81 HD11 ILE 81 -4.599 3.398 4.393 599 2HD1 ILE 81 HD12 ILE 81 -3.851 4.207 3.014 600 3HD1 ILE 81 HD13 ILE 81 -4.502 2.577 2.833 601 H ALA 82 HN ALA 82 -1.195 2.853 8.047 602 HA ALA 82 HA ALA 82 0.242 5.275 8.614 603 1HB ALA 82 HB1 ALA 82 -1.769 3.765 9.875 604 2HB ALA 82 HB2 ALA 82 -0.391 3.791 10.977 605 3HB ALA 82 HB3 ALA 82 -1.078 5.303 10.397 606 H ASP 83 HN ASP 83 0.829 1.841 8.957 607 HA ASP 83 HA ASP 83 3.198 2.179 10.560 608 1HB ASP 83 HB2 ASP 83 2.083 0.154 10.963 609 2HB ASP 83 HB3 ASP 83 1.825 -0.157 9.249 610 H LEU 84 HN LEU 84 2.490 1.327 7.193 611 HA LEU 84 HA LEU 84 5.175 0.956 6.436 612 1HB LEU 84 HB2 LEU 84 2.795 1.674 4.749 613 2HB LEU 84 HB3 LEU 84 4.338 1.110 4.127 614 HG LEU 84 HG LEU 84 2.906 -0.574 6.134 615 1HD1 LEU 84 HD11 LEU 84 2.005 -0.015 3.374 616 2HD1 LEU 84 HD12 LEU 84 1.949 -1.685 3.936 617 3HD1 LEU 84 HD13 LEU 84 1.072 -0.427 4.810 618 1HD2 LEU 84 HD21 LEU 84 4.334 -2.157 5.468 619 2HD2 LEU 84 HD22 LEU 84 4.123 -1.765 3.767 620 3HD2 LEU 84 HD23 LEU 84 5.250 -0.831 4.751 621 H SER 85 HN SER 85 3.254 3.884 6.665 622 HA SER 85 HA SER 85 5.034 5.489 5.087 623 1HB SER 85 HB2 SER 85 3.828 7.383 6.404 624 2HB SER 85 HB3 SER 85 2.889 6.414 5.269 625 HG SER 85 HG SER 85 1.797 5.561 6.866 626 H LYS 86 HN LYS 86 4.818 4.466 8.397 627 HA LYS 86 HA LYS 86 6.837 6.328 9.326 628 1HB LYS 86 HB2 LYS 86 4.746 5.119 10.546 629 2HB LYS 86 HB3 LYS 86 6.029 4.008 10.985 630 1HG LYS 86 HG2 LYS 86 6.606 6.873 11.362 631 2HG LYS 86 HG3 LYS 86 5.382 6.170 12.420 632 1HD LYS 86 HD2 LYS 86 6.901 5.048 13.596 633 2HD LYS 86 HD3 LYS 86 7.735 4.488 12.145 634 1HE LYS 86 HE2 LYS 86 7.990 7.290 13.189 635 2HE LYS 86 HE3 LYS 86 9.052 5.990 13.722 636 1HZ LYS 86 HZ1 LYS 86 10.243 6.895 12.008 637 2HZ LYS 86 HZ2 LYS 86 8.870 7.285 11.085 638 3HZ LYS 86 HZ3 LYS 86 9.399 5.680 11.175 639 H LYS 87 HN LYS 87 6.736 3.372 7.742 640 HA LYS 87 HA LYS 87 9.281 2.420 8.826 641 1HB LYS 87 HB2 LYS 87 7.236 1.161 7.002 642 2HB LYS 87 HB3 LYS 87 8.818 0.448 7.275 643 1HG LYS 87 HG2 LYS 87 7.324 1.126 9.711 644 2HG LYS 87 HG3 LYS 87 6.613 -0.138 8.706 645 1HD LYS 87 HD2 LYS 87 9.179 -0.937 8.678 646 2HD LYS 87 HD3 LYS 87 9.133 -0.131 10.247 647 1HE LYS 87 HE2 LYS 87 7.234 -2.297 9.349 648 2HE LYS 87 HE3 LYS 87 8.632 -2.531 10.400 649 1HZ LYS 87 HZ1 LYS 87 7.559 -0.751 11.847 650 2HZ LYS 87 HZ2 LYS 87 6.865 -2.297 11.866 651 3HZ LYS 87 HZ3 LYS 87 6.137 -1.047 10.972 652 H ARG 88 HN ARG 88 8.026 4.199 6.246 653 HA ARG 88 HA ARG 88 9.747 3.550 4.142 654 1HB ARG 88 HB2 ARG 88 7.668 4.967 4.029 655 2HB ARG 88 HB3 ARG 88 8.601 6.288 4.723 656 1HG ARG 88 HG2 ARG 88 10.168 6.107 2.805 657 2HG ARG 88 HG3 ARG 88 9.093 4.908 2.093 658 1HD ARG 88 HD2 ARG 88 7.286 6.767 2.427 659 2HD ARG 88 HD3 ARG 88 8.683 7.837 2.483 660 HE ARG 88 HE ARG 88 9.245 6.693 0.238 661 1HH1 ARG 88 HH12 ARG 88 6.015 7.397 1.422 662 2HH1 ARG 88 HH11 ARG 88 5.341 7.596 -0.167 663 1HH2 ARG 88 HH22 ARG 88 8.384 6.973 -1.837 664 2HH2 ARG 88 HH21 ARG 88 6.699 7.335 -2.044 665 H SER 89 HN SER 89 11.839 3.548 4.177 666 HA SER 89 HA SER 89 13.991 4.132 4.431 667 1HB SER 89 HB2 SER 89 13.267 6.979 5.010 668 2HB SER 89 HB3 SER 89 14.582 6.345 4.026 669 HG SER 89 HG SER 89 12.139 7.133 3.253 670 H SER 90 HN SER 90 12.312 3.399 6.728 671 HA SER 90 HA SER 90 12.602 2.975 8.933 672 1HB SER 90 HB2 SER 90 15.124 4.627 8.924 673 2HB SER 90 HB3 SER 90 14.687 3.296 9.995 674 HG SER 90 HG SER 90 14.684 2.610 7.341 675 H GLU 91 HN GLU 91 13.368 6.356 8.101 676 HA GLU 91 HA GLU 91 11.503 7.183 10.223 677 1HB GLU 91 HB2 GLU 91 14.317 8.072 9.766 678 2HB GLU 91 HB3 GLU 91 13.147 9.273 10.290 679 1HG GLU 91 HG2 GLU 91 13.726 6.699 11.745 680 2HG GLU 91 HG3 GLU 91 14.415 8.269 12.157 Start of MODEL 10 1 H GLU 11 HN GLU 11 19.951 -1.235 -0.133 2 HA GLU 11 HA GLU 11 18.200 -3.574 -0.325 3 1HB GLU 11 HB2 GLU 11 20.329 -3.044 1.389 4 2HB GLU 11 HB3 GLU 11 18.895 -2.817 2.381 5 1HG GLU 11 HG2 GLU 11 18.722 -5.210 0.766 6 2HG GLU 11 HG3 GLU 11 20.153 -5.214 1.791 7 H LEU 12 HN LEU 12 17.341 -0.955 -1.031 8 HA LEU 12 HA LEU 12 15.648 -0.098 1.182 9 1HB LEU 12 HB2 LEU 12 16.325 1.062 -1.497 10 2HB LEU 12 HB3 LEU 12 14.915 1.624 -0.621 11 HG LEU 12 HG LEU 12 17.782 1.786 0.314 12 1HD1 LEU 12 HD11 LEU 12 15.941 3.571 -1.083 13 2HD1 LEU 12 HD12 LEU 12 16.701 4.291 0.336 14 3HD1 LEU 12 HD13 LEU 12 17.699 3.628 -0.960 15 1HD2 LEU 12 HD21 LEU 12 17.091 2.229 2.388 16 2HD2 LEU 12 HD22 LEU 12 15.769 3.248 1.820 17 3HD2 LEU 12 HD23 LEU 12 15.554 1.501 1.916 18 H ASN 13 HN ASN 13 14.724 -2.355 0.883 19 HA ASN 13 HA ASN 13 12.798 -2.608 -1.275 20 1HB ASN 13 HB2 ASN 13 14.291 -4.440 0.028 21 2HB ASN 13 HB3 ASN 13 12.822 -4.521 0.999 22 1HD2 ASN 13 HD21 ASN 13 12.003 -6.405 0.413 23 2HD2 ASN 13 HD22 ASN 13 11.576 -6.850 -1.204 24 H ASN 14 HN ASN 14 12.406 -0.432 0.489 25 HA ASN 14 HA ASN 14 10.439 -1.038 2.465 26 1HB ASN 14 HB2 ASN 14 12.082 1.088 1.970 27 2HB ASN 14 HB3 ASN 14 10.525 1.710 1.441 28 1HD2 ASN 14 HD21 ASN 14 12.253 2.396 3.742 29 2HD2 ASN 14 HD22 ASN 14 11.234 2.246 5.135 30 H LEU 15 HN LEU 15 10.199 0.801 -0.601 31 HA LEU 15 HA LEU 15 7.387 0.912 -0.548 32 1HB LEU 15 HB2 LEU 15 9.287 2.099 -2.050 33 2HB LEU 15 HB3 LEU 15 8.696 0.911 -3.198 34 HG LEU 15 HG LEU 15 6.579 2.415 -1.826 35 1HD1 LEU 15 HD11 LEU 15 7.929 4.301 -1.964 36 2HD1 LEU 15 HD12 LEU 15 8.657 3.790 -3.489 37 3HD1 LEU 15 HD13 LEU 15 6.987 4.356 -3.453 38 1HD2 LEU 15 HD21 LEU 15 5.938 0.997 -3.588 39 2HD2 LEU 15 HD22 LEU 15 5.858 2.627 -4.253 40 3HD2 LEU 15 HD23 LEU 15 7.226 1.581 -4.643 41 H ARG 16 HN ARG 16 9.597 -1.475 -1.921 42 HA ARG 16 HA ARG 16 7.640 -2.917 -3.368 43 1HB ARG 16 HB2 ARG 16 10.241 -3.114 -3.412 44 2HB ARG 16 HB3 ARG 16 9.986 -4.278 -2.121 45 1HG ARG 16 HG2 ARG 16 8.262 -5.298 -3.820 46 2HG ARG 16 HG3 ARG 16 9.254 -4.449 -5.004 47 1HD ARG 16 HD2 ARG 16 10.595 -6.218 -4.972 48 2HD ARG 16 HD3 ARG 16 11.098 -5.700 -3.366 49 HE ARG 16 HE ARG 16 8.709 -7.258 -3.247 50 1HH1 ARG 16 HH12 ARG 16 12.183 -7.499 -3.622 51 2HH1 ARG 16 HH11 ARG 16 12.271 -9.097 -2.946 52 1HH2 ARG 16 HH22 ARG 16 8.813 -9.338 -2.339 53 2HH2 ARG 16 HH21 ARG 16 10.357 -10.146 -2.214 54 H MET 17 HN MET 17 8.775 -3.044 -0.051 55 HA MET 17 HA MET 17 7.246 -5.344 0.676 56 1HB MET 17 HB2 MET 17 9.156 -3.662 1.947 57 2HB MET 17 HB3 MET 17 7.706 -3.630 2.937 58 1HG MET 17 HG2 MET 17 8.694 -6.271 1.996 59 2HG MET 17 HG3 MET 17 9.581 -5.448 3.277 60 1HE MET 17 HE1 MET 17 6.061 -7.219 2.387 61 2HE MET 17 HE2 MET 17 7.561 -8.100 2.675 62 3HE MET 17 HE3 MET 17 6.245 -8.190 3.847 63 H THR 18 HN THR 18 6.665 -1.897 0.592 64 HA THR 18 HA THR 18 4.311 -1.819 2.154 65 HB THR 18 HB THR 18 5.003 -0.017 -0.174 66 HG1 THR 18 HG1 THR 18 6.659 -0.278 1.561 67 1HG2 THR 18 HG21 THR 18 3.104 1.022 0.353 68 2HG2 THR 18 HG22 THR 18 3.801 1.406 1.928 69 3HG2 THR 18 HG23 THR 18 2.841 -0.060 1.723 70 H TYR 19 HN TYR 19 4.808 -2.053 -1.352 71 HA TYR 19 HA TYR 19 2.071 -2.291 -1.994 72 1HB TYR 19 HB2 TYR 19 3.476 -1.654 -3.765 73 2HB TYR 19 HB3 TYR 19 4.627 -2.943 -3.436 74 HD1 TYR 19 HD1 TYR 19 1.307 -2.189 -4.855 75 HD2 TYR 19 HD2 TYR 19 4.381 -5.104 -4.429 76 HE1 TYR 19 HE1 TYR 19 0.230 -3.559 -6.583 77 HE2 TYR 19 HE2 TYR 19 3.302 -6.488 -6.163 78 HH TYR 19 HH TYR 19 1.493 -6.758 -7.463 79 H GLU 20 HN GLU 20 4.603 -4.718 -1.386 80 HA GLU 20 HA GLU 20 2.958 -6.943 -2.013 81 1HB GLU 20 HB2 GLU 20 5.664 -6.507 -1.176 82 2HB GLU 20 HB3 GLU 20 4.961 -7.785 -0.193 83 1HG GLU 20 HG2 GLU 20 4.672 -9.182 -1.992 84 2HG GLU 20 HG3 GLU 20 4.570 -7.846 -3.132 85 H ARG 21 HN ARG 21 3.601 -5.219 1.010 86 HA ARG 21 HA ARG 21 2.304 -7.095 2.709 87 1HB ARG 21 HB2 ARG 21 3.810 -4.957 3.217 88 2HB ARG 21 HB3 ARG 21 2.243 -4.179 3.362 89 1HG ARG 21 HG2 ARG 21 2.003 -4.981 5.398 90 2HG ARG 21 HG3 ARG 21 2.200 -6.633 4.811 91 1HD ARG 21 HD2 ARG 21 4.085 -6.687 6.002 92 2HD ARG 21 HD3 ARG 21 4.763 -5.614 4.781 93 HE ARG 21 HE ARG 21 3.439 -4.014 6.626 94 1HH1 ARG 21 HH12 ARG 21 6.148 -6.233 6.609 95 2HH1 ARG 21 HH11 ARG 21 6.995 -5.417 7.882 96 1HH2 ARG 21 HH22 ARG 21 4.558 -2.920 8.321 97 2HH2 ARG 21 HH21 ARG 21 6.098 -3.547 8.856 98 H LEU 22 HN LEU 22 1.246 -4.385 0.774 99 HA LEU 22 HA LEU 22 -1.428 -4.212 1.760 100 1HB LEU 22 HB2 LEU 22 0.121 -3.175 -0.532 101 2HB LEU 22 HB3 LEU 22 -1.609 -3.264 -0.756 102 HG LEU 22 HG LEU 22 -0.543 -1.949 1.682 103 1HD1 LEU 22 HD11 LEU 22 -0.277 0.147 0.491 104 2HD1 LEU 22 HD12 LEU 22 0.823 -1.068 -0.153 105 3HD1 LEU 22 HD13 LEU 22 -0.641 -0.650 -1.041 106 1HD2 LEU 22 HD21 LEU 22 -2.814 -1.897 1.757 107 2HD2 LEU 22 HD22 LEU 22 -2.561 -0.449 0.790 108 3HD2 LEU 22 HD23 LEU 22 -3.000 -1.972 0.003 109 H ARG 23 HN ARG 23 0.188 -5.944 -0.830 110 HA ARG 23 HA ARG 23 -2.111 -6.959 -2.106 111 1HB ARG 23 HB2 ARG 23 -0.004 -6.962 -3.247 112 2HB ARG 23 HB3 ARG 23 0.734 -7.936 -1.982 113 1HG ARG 23 HG2 ARG 23 -0.187 -9.879 -2.739 114 2HG ARG 23 HG3 ARG 23 -1.593 -9.064 -3.427 115 1HD ARG 23 HD2 ARG 23 0.247 -8.019 -5.017 116 2HD ARG 23 HD3 ARG 23 1.111 -9.494 -4.588 117 HE ARG 23 HE ARG 23 -0.824 -10.748 -5.454 118 1HH1 ARG 23 HH12 ARG 23 -0.376 -7.431 -6.496 119 2HH1 ARG 23 HH11 ARG 23 -1.331 -7.604 -7.931 120 1HH2 ARG 23 HH22 ARG 23 -2.086 -10.995 -7.338 121 2HH2 ARG 23 HH21 ARG 23 -2.312 -9.642 -8.411 122 H GLU 24 HN GLU 24 0.009 -8.345 0.385 123 HA GLU 24 HA GLU 24 -1.419 -10.795 0.587 124 1HB GLU 24 HB2 GLU 24 0.972 -10.291 1.396 125 2HB GLU 24 HB3 GLU 24 0.217 -9.557 2.793 126 1HG GLU 24 HG2 GLU 24 -0.867 -12.172 2.343 127 2HG GLU 24 HG3 GLU 24 0.893 -12.209 2.452 128 H LEU 25 HN LEU 25 -1.659 -7.655 2.147 129 HA LEU 25 HA LEU 25 -3.498 -8.475 4.152 130 1HB LEU 25 HB2 LEU 25 -2.046 -6.210 3.723 131 2HB LEU 25 HB3 LEU 25 -3.649 -5.676 3.256 132 HG LEU 25 HG LEU 25 -2.522 -6.084 5.887 133 1HD1 LEU 25 HD11 LEU 25 -4.875 -4.848 6.257 134 2HD1 LEU 25 HD12 LEU 25 -3.406 -4.042 5.707 135 3HD1 LEU 25 HD13 LEU 25 -4.621 -4.542 4.536 136 1HD2 LEU 25 HD21 LEU 25 -5.016 -6.897 6.590 137 2HD2 LEU 25 HD22 LEU 25 -4.774 -7.813 5.102 138 3HD2 LEU 25 HD23 LEU 25 -3.628 -7.973 6.432 139 H SER 26 HN SER 26 -3.832 -7.273 0.859 140 HA SER 26 HA SER 26 -6.605 -6.782 0.933 141 1HB SER 26 HB2 SER 26 -4.967 -7.654 -1.462 142 2HB SER 26 HB3 SER 26 -6.529 -6.845 -1.501 143 HG SER 26 HG SER 26 -4.174 -5.733 -0.380 144 H LEU 27 HN LEU 27 -4.698 -9.672 0.356 145 HA LEU 27 HA LEU 27 -6.968 -11.293 -0.367 146 1HB LEU 27 HB2 LEU 27 -4.054 -11.657 -0.072 147 2HB LEU 27 HB3 LEU 27 -5.010 -13.073 0.315 148 HG LEU 27 HG LEU 27 -6.122 -12.744 -1.975 149 1HD1 LEU 27 HD11 LEU 27 -5.012 -11.463 -3.611 150 2HD1 LEU 27 HD12 LEU 27 -5.149 -10.406 -2.206 151 3HD1 LEU 27 HD13 LEU 27 -3.614 -11.195 -2.569 152 1HD2 LEU 27 HD21 LEU 27 -3.319 -13.381 -2.538 153 2HD2 LEU 27 HD22 LEU 27 -3.984 -14.229 -1.142 154 3HD2 LEU 27 HD23 LEU 27 -4.765 -14.371 -2.719 155 H ASN 28 HN ASN 28 -5.141 -10.581 2.533 156 HA ASN 28 HA ASN 28 -6.243 -12.649 4.164 157 1HB ASN 28 HB2 ASN 28 -4.136 -10.936 4.418 158 2HB ASN 28 HB3 ASN 28 -5.293 -10.171 5.494 159 1HD2 ASN 28 HD21 ASN 28 -2.885 -12.426 5.272 160 2HD2 ASN 28 HD22 ASN 28 -3.237 -13.341 6.698 161 H LEU 29 HN LEU 29 -6.796 -9.121 4.147 162 HA LEU 29 HA LEU 29 -9.022 -9.177 5.889 163 1HB LEU 29 HB2 LEU 29 -8.127 -7.182 3.820 164 2HB LEU 29 HB3 LEU 29 -9.564 -6.944 4.788 165 HG LEU 29 HG LEU 29 -6.824 -7.312 5.972 166 1HD1 LEU 29 HD11 LEU 29 -8.227 -4.688 5.821 167 2HD1 LEU 29 HD12 LEU 29 -6.501 -5.037 5.973 168 3HD1 LEU 29 HD13 LEU 29 -7.314 -5.267 4.426 169 1HD2 LEU 29 HD21 LEU 29 -8.002 -7.548 7.850 170 2HD2 LEU 29 HD22 LEU 29 -8.446 -5.848 7.676 171 3HD2 LEU 29 HD23 LEU 29 -9.507 -7.109 7.043 172 H GLY 30 HN GLY 30 -8.673 -9.322 2.401 173 1HA GLY 30 HA1 GLY 30 -11.349 -9.057 1.664 174 2HA GLY 30 HA2 GLY 30 -10.122 -9.900 0.726 175 H ASN 31 HN ASN 31 -9.468 -12.051 2.211 176 HA ASN 31 HA ASN 31 -11.755 -13.728 1.893 177 1HB ASN 31 HB2 ASN 31 -9.233 -14.307 1.636 178 2HB ASN 31 HB3 ASN 31 -9.277 -14.542 3.381 179 1HD2 ASN 31 HD21 ASN 31 -10.459 -15.695 0.300 180 2HD2 ASN 31 HD22 ASN 31 -11.028 -17.225 0.886 181 H ARG 32 HN ARG 32 -10.679 -11.770 4.449 182 HA ARG 32 HA ARG 32 -11.890 -13.357 6.571 183 1HB ARG 32 HB2 ARG 32 -9.783 -11.679 6.577 184 2HB ARG 32 HB3 ARG 32 -11.048 -10.559 7.065 185 1HG ARG 32 HG2 ARG 32 -11.525 -11.769 9.016 186 2HG ARG 32 HG3 ARG 32 -10.660 -13.196 8.438 187 1HD ARG 32 HD2 ARG 32 -8.954 -10.852 8.535 188 2HD ARG 32 HD3 ARG 32 -9.661 -11.223 10.106 189 HE ARG 32 HE ARG 32 -7.772 -12.854 8.596 190 1HH1 ARG 32 HH12 ARG 32 -9.917 -12.631 11.385 191 2HH1 ARG 32 HH11 ARG 32 -9.103 -13.899 12.248 192 1HH2 ARG 32 HH22 ARG 32 -6.710 -14.498 9.765 193 2HH2 ARG 32 HH21 ARG 32 -7.305 -14.960 11.334 194 H MET 33 HN MET 33 -12.948 -11.338 4.223 195 HA MET 33 HA MET 33 -15.096 -10.160 5.813 196 1HB MET 33 HB2 MET 33 -13.633 -9.237 3.576 197 2HB MET 33 HB3 MET 33 -15.245 -9.596 2.972 198 1HG MET 33 HG2 MET 33 -16.022 -7.727 3.826 199 2HG MET 33 HG3 MET 33 -15.503 -8.215 5.439 200 1HE MET 33 HE1 MET 33 -15.735 -5.869 3.123 201 2HE MET 33 HE2 MET 33 -14.925 -4.599 4.042 202 3HE MET 33 HE3 MET 33 -14.182 -5.248 2.574 203 H VAL 34 HN VAL 34 -17.324 -10.331 4.808 204 HA VAL 34 HA VAL 34 -17.724 -12.875 3.391 205 HB VAL 34 HB VAL 34 -19.240 -11.996 5.864 206 1HG1 VAL 34 HG11 VAL 34 -20.568 -14.042 5.552 207 2HG1 VAL 34 HG12 VAL 34 -20.775 -12.917 4.211 208 3HG1 VAL 34 HG13 VAL 34 -19.741 -14.337 4.023 209 1HG2 VAL 34 HG21 VAL 34 -17.138 -13.991 5.287 210 2HG2 VAL 34 HG22 VAL 34 -17.486 -13.099 6.768 211 3HG2 VAL 34 HG23 VAL 34 -18.450 -14.512 6.345 212 HA PRO 35 HA PRO 35 -18.482 -13.598 1.795 213 1HB PRO 35 HB2 PRO 35 -18.410 -13.133 -0.874 214 2HB PRO 35 HB3 PRO 35 -19.856 -13.707 -0.044 215 1HG PRO 35 HG2 PRO 35 -19.175 -10.959 -0.985 216 2HG PRO 35 HG3 PRO 35 -20.735 -11.802 -0.996 217 1HD PRO 35 HD2 PRO 35 -20.003 -9.915 0.856 218 2HD PRO 35 HD3 PRO 35 -21.215 -11.173 1.146 219 HA PRO 36 HA PRO 36 -14.261 -12.361 1.609 220 1HB PRO 36 HB2 PRO 36 -13.237 -14.265 -0.100 221 2HB PRO 36 HB3 PRO 36 -13.502 -14.491 1.631 222 1HG PRO 36 HG2 PRO 36 -15.192 -15.352 -0.671 223 2HG PRO 36 HG3 PRO 36 -14.847 -16.196 0.849 224 1HD PRO 36 HD2 PRO 36 -17.188 -14.935 0.418 225 2HD PRO 36 HD3 PRO 36 -16.428 -14.989 2.022 226 H VAL 37 HN VAL 37 -13.318 -10.785 0.543 227 HA VAL 37 HA VAL 37 -14.121 -10.183 -2.175 228 HB VAL 37 HB VAL 37 -12.077 -8.511 -0.817 229 1HG1 VAL 37 HG11 VAL 37 -13.740 -8.283 -3.019 230 2HG1 VAL 37 HG12 VAL 37 -14.446 -7.205 -1.813 231 3HG1 VAL 37 HG13 VAL 37 -12.762 -7.007 -2.289 232 1HG2 VAL 37 HG21 VAL 37 -14.682 -7.666 0.077 233 2HG2 VAL 37 HG22 VAL 37 -14.341 -9.301 0.646 234 3HG2 VAL 37 HG23 VAL 37 -13.230 -7.991 1.024 235 H GLY 38 HN GLY 38 -13.019 -10.831 -3.870 236 1HA GLY 38 HA1 GLY 38 -10.355 -11.943 -3.553 237 2HA GLY 38 HA2 GLY 38 -11.312 -11.916 -5.034 238 H ASN 39 HN ASN 39 -11.909 -9.083 -4.642 239 HA ASN 39 HA ASN 39 -9.324 -7.923 -5.441 240 1HB ASN 39 HB2 ASN 39 -11.139 -8.241 -7.245 241 2HB ASN 39 HB3 ASN 39 -11.990 -6.938 -6.427 242 1HD2 ASN 39 HD21 ASN 39 -11.695 -5.972 -8.616 243 2HD2 ASN 39 HD22 ASN 39 -10.237 -5.070 -8.901 244 H PHE 40 HN PHE 40 -9.440 -7.704 -2.965 245 HA PHE 40 HA PHE 40 -11.135 -5.921 -1.649 246 1HB PHE 40 HB2 PHE 40 -9.528 -7.507 -0.577 247 2HB PHE 40 HB3 PHE 40 -8.203 -6.465 -1.068 248 HD1 PHE 40 HD1 PHE 40 -7.297 -5.351 0.728 249 HD2 PHE 40 HD2 PHE 40 -11.513 -5.904 0.548 250 HE1 PHE 40 HE1 PHE 40 -7.550 -4.073 2.815 251 HE2 PHE 40 HE2 PHE 40 -11.784 -4.626 2.631 252 HZ PHE 40 HZ PHE 40 -9.702 -3.759 3.812 253 H MET 41 HN MET 41 -7.953 -5.314 -3.142 254 HA MET 41 HA MET 41 -8.764 -2.565 -3.654 255 1HB MET 41 HB2 MET 41 -7.383 -2.722 -1.503 256 2HB MET 41 HB3 MET 41 -6.039 -3.201 -2.529 257 1HG MET 41 HG2 MET 41 -6.001 -0.833 -1.948 258 2HG MET 41 HG3 MET 41 -6.102 -1.107 -3.685 259 1HE MET 41 HE1 MET 41 -7.731 -0.393 -0.499 260 2HE MET 41 HE2 MET 41 -8.114 1.275 -0.920 261 3HE MET 41 HE3 MET 41 -9.400 0.068 -0.842 262 HA PRO 42 HA PRO 42 -7.316 -3.879 -7.644 263 1HB PRO 42 HB2 PRO 42 -6.959 -0.970 -8.083 264 2HB PRO 42 HB3 PRO 42 -7.862 -2.152 -9.035 265 1HG PRO 42 HG2 PRO 42 -9.120 -0.385 -7.475 266 2HG PRO 42 HG3 PRO 42 -9.723 -2.046 -7.651 267 1HD PRO 42 HD2 PRO 42 -8.219 -0.795 -5.381 268 2HD PRO 42 HD3 PRO 42 -9.513 -2.013 -5.339 269 H ASP 43 HN ASP 43 -5.406 -4.278 -8.565 270 HA ASP 43 HA ASP 43 -2.998 -4.055 -7.257 271 1HB ASP 43 HB2 ASP 43 -3.836 -5.278 -9.514 272 2HB ASP 43 HB3 ASP 43 -2.867 -3.995 -10.222 273 H SER 44 HN SER 44 -4.401 -1.861 -9.614 274 HA SER 44 HA SER 44 -2.165 -0.179 -9.953 275 1HB SER 44 HB2 SER 44 -4.333 1.429 -10.450 276 2HB SER 44 HB3 SER 44 -3.630 0.304 -11.615 277 HG SER 44 HG SER 44 -5.771 -0.203 -11.522 278 H ILE 45 HN ILE 45 -5.013 0.039 -7.843 279 HA ILE 45 HA ILE 45 -4.257 2.492 -6.645 280 HB ILE 45 HB ILE 45 -6.057 0.367 -5.474 281 1HG1 ILE 45 HG12 ILE 45 -6.374 1.733 -7.866 282 2HG1 ILE 45 HG13 ILE 45 -7.645 0.929 -6.956 283 1HG2 ILE 45 HG21 ILE 45 -5.474 1.927 -3.782 284 2HG2 ILE 45 HG22 ILE 45 -5.697 3.296 -4.872 285 3HG2 ILE 45 HG23 ILE 45 -7.092 2.361 -4.336 286 1HD1 ILE 45 HD11 ILE 45 -7.410 3.461 -5.805 287 2HD1 ILE 45 HD12 ILE 45 -7.281 3.721 -7.546 288 3HD1 ILE 45 HD13 ILE 45 -8.682 2.883 -6.878 289 H LEU 46 HN LEU 46 -3.600 -0.884 -5.857 290 HA LEU 46 HA LEU 46 -2.553 -0.465 -3.273 291 1HB LEU 46 HB2 LEU 46 -1.852 -2.563 -5.337 292 2HB LEU 46 HB3 LEU 46 -1.285 -2.594 -3.683 293 HG LEU 46 HG LEU 46 -4.228 -2.596 -4.290 294 1HD1 LEU 46 HD11 LEU 46 -2.358 -4.959 -4.224 295 2HD1 LEU 46 HD12 LEU 46 -4.113 -5.075 -4.094 296 3HD1 LEU 46 HD13 LEU 46 -3.378 -4.438 -5.566 297 1HD2 LEU 46 HD21 LEU 46 -4.376 -3.654 -2.119 298 2HD2 LEU 46 HD22 LEU 46 -2.617 -3.704 -1.993 299 3HD2 LEU 46 HD23 LEU 46 -3.452 -2.150 -1.980 300 H LYS 47 HN LYS 47 -1.188 -0.153 -6.483 301 HA LYS 47 HA LYS 47 1.515 0.130 -5.625 302 1HB LYS 47 HB2 LYS 47 0.047 0.423 -8.192 303 2HB LYS 47 HB3 LYS 47 1.603 1.224 -8.062 304 1HG LYS 47 HG2 LYS 47 2.721 -0.829 -7.665 305 2HG LYS 47 HG3 LYS 47 1.201 -1.687 -7.446 306 1HD LYS 47 HD2 LYS 47 0.961 -0.554 -9.960 307 2HD LYS 47 HD3 LYS 47 2.649 -1.058 -9.888 308 1HE LYS 47 HE2 LYS 47 1.926 -3.310 -9.198 309 2HE LYS 47 HE3 LYS 47 0.244 -2.794 -9.337 310 1HZ LYS 47 HZ1 LYS 47 0.899 -2.200 -11.734 311 2HZ LYS 47 HZ2 LYS 47 0.656 -3.830 -11.348 312 3HZ LYS 47 HZ3 LYS 47 2.235 -3.215 -11.478 313 H LYS 48 HN LYS 48 -0.936 2.512 -6.714 314 HA LYS 48 HA LYS 48 0.782 4.738 -6.354 315 1HB LYS 48 HB2 LYS 48 -1.628 5.907 -6.080 316 2HB LYS 48 HB3 LYS 48 -0.942 5.469 -7.636 317 1HG LYS 48 HG2 LYS 48 -2.258 3.484 -7.741 318 2HG LYS 48 HG3 LYS 48 -2.786 3.687 -6.071 319 1HD LYS 48 HD2 LYS 48 -4.612 4.473 -7.223 320 2HD LYS 48 HD3 LYS 48 -3.713 5.966 -6.940 321 1HE LYS 48 HE2 LYS 48 -2.887 5.988 -9.157 322 2HE LYS 48 HE3 LYS 48 -3.421 4.334 -9.447 323 1HZ LYS 48 HZ1 LYS 48 -4.786 6.385 -10.318 324 2HZ LYS 48 HZ2 LYS 48 -5.443 6.340 -8.756 325 3HZ LYS 48 HZ3 LYS 48 -5.572 4.985 -9.766 326 H MET 49 HN MET 49 -1.497 3.108 -4.242 327 HA MET 49 HA MET 49 -1.314 5.032 -2.157 328 1HB MET 49 HB2 MET 49 -3.038 3.878 -1.325 329 2HB MET 49 HB3 MET 49 -2.911 2.805 -2.706 330 1HG MET 49 HG2 MET 49 -2.181 1.111 -1.461 331 2HG MET 49 HG3 MET 49 -1.061 2.136 -0.569 332 1HE MET 49 HE1 MET 49 -5.190 0.720 0.667 333 2HE MET 49 HE2 MET 49 -5.110 1.660 -0.824 334 3HE MET 49 HE3 MET 49 -4.177 0.175 -0.674 335 H ALA 50 HN ALA 50 0.583 2.247 -3.068 336 HA ALA 50 HA ALA 50 1.958 2.037 -0.548 337 1HB ALA 50 HB1 ALA 50 1.624 0.174 -2.269 338 2HB ALA 50 HB2 ALA 50 2.953 0.919 -3.153 339 3HB ALA 50 HB3 ALA 50 3.213 0.309 -1.518 340 H ALA 51 HN ALA 51 2.401 3.756 -3.538 341 HA ALA 51 HA ALA 51 5.147 4.445 -2.978 342 1HB ALA 51 HB1 ALA 51 3.933 4.134 -5.283 343 2HB ALA 51 HB2 ALA 51 3.558 5.844 -5.070 344 3HB ALA 51 HB3 ALA 51 5.236 5.307 -5.094 345 H ILE 52 HN ILE 52 2.007 6.043 -2.704 346 HA ILE 52 HA ILE 52 3.327 8.508 -1.828 347 HB ILE 52 HB ILE 52 0.553 7.829 -2.722 348 1HG1 ILE 52 HG12 ILE 52 1.245 10.207 -3.856 349 2HG1 ILE 52 HG13 ILE 52 2.825 9.454 -3.661 350 1HG2 ILE 52 HG21 ILE 52 -0.441 9.282 -1.388 351 2HG2 ILE 52 HG22 ILE 52 1.101 9.641 -0.609 352 3HG2 ILE 52 HG23 ILE 52 0.589 10.563 -2.027 353 1HD1 ILE 52 HD11 ILE 52 0.992 7.549 -4.749 354 2HD1 ILE 52 HD12 ILE 52 0.954 9.037 -5.704 355 3HD1 ILE 52 HD13 ILE 52 2.478 8.200 -5.444 356 H LEU 53 HN LEU 53 1.246 5.940 -0.672 357 HA LEU 53 HA LEU 53 0.451 5.356 1.373 358 1HB LEU 53 HB2 LEU 53 3.059 6.679 1.998 359 2HB LEU 53 HB3 LEU 53 2.032 6.107 3.295 360 HG LEU 53 HG LEU 53 3.039 4.361 1.053 361 1HD1 LEU 53 HD11 LEU 53 4.063 4.063 3.807 362 2HD1 LEU 53 HD12 LEU 53 4.862 3.786 2.262 363 3HD1 LEU 53 HD13 LEU 53 4.667 5.430 2.875 364 1HD2 LEU 53 HD21 LEU 53 1.973 3.461 3.705 365 2HD2 LEU 53 HD22 LEU 53 0.892 3.791 2.352 366 3HD2 LEU 53 HD23 LEU 53 2.141 2.554 2.203 367 HA PRO 54 HA PRO 54 -1.413 9.540 2.115 368 1HB PRO 54 HB2 PRO 54 -3.944 8.379 1.335 369 2HB PRO 54 HB3 PRO 54 -3.037 9.677 0.552 370 1HG PRO 54 HG2 PRO 54 -3.418 7.189 -0.533 371 2HG PRO 54 HG3 PRO 54 -2.045 8.241 -0.923 372 1HD PRO 54 HD2 PRO 54 -2.192 5.904 0.947 373 2HD PRO 54 HD3 PRO 54 -0.901 6.370 -0.184 374 H MET 55 HN MET 55 -1.509 9.683 4.281 375 HA MET 55 HA MET 55 -2.787 7.662 5.898 376 1HB MET 55 HB2 MET 55 -1.148 10.064 6.341 377 2HB MET 55 HB3 MET 55 -2.321 9.731 7.604 378 1HG MET 55 HG2 MET 55 -1.221 7.271 7.248 379 2HG MET 55 HG3 MET 55 0.146 8.322 6.888 380 1HE MET 55 HE1 MET 55 -2.883 8.346 9.338 381 2HE MET 55 HE2 MET 55 -2.116 6.784 9.614 382 3HE MET 55 HE3 MET 55 -2.099 8.012 10.881 383 H ASN 56 HN ASN 56 -3.642 10.736 4.539 384 HA ASN 56 HA ASN 56 -6.287 10.507 5.820 385 1HB ASN 56 HB2 ASN 56 -4.545 12.523 6.389 386 2HB ASN 56 HB3 ASN 56 -5.459 13.228 5.063 387 1HD2 ASN 56 HD21 ASN 56 -5.396 13.996 7.857 388 2HD2 ASN 56 HD22 ASN 56 -7.028 13.882 8.437 389 H ASP 57 HN ASP 57 -8.003 11.740 4.572 390 HA ASP 57 HA ASP 57 -8.063 10.769 1.925 391 1HB ASP 57 HB2 ASP 57 -10.102 11.079 3.194 392 2HB ASP 57 HB3 ASP 57 -9.815 12.811 3.288 393 H SER 58 HN SER 58 -6.920 13.751 3.243 394 HA SER 58 HA SER 58 -7.098 15.416 0.987 395 1HB SER 58 HB2 SER 58 -4.702 15.761 2.656 396 2HB SER 58 HB3 SER 58 -6.007 16.899 2.307 397 HG SER 58 HG SER 58 -7.275 15.868 3.882 398 H ALA 59 HN ALA 59 -4.750 12.987 1.978 399 HA ALA 59 HA ALA 59 -2.979 13.515 -0.250 400 1HB ALA 59 HB1 ALA 59 -1.746 12.759 1.534 401 2HB ALA 59 HB2 ALA 59 -2.983 11.610 2.045 402 3HB ALA 59 HB3 ALA 59 -1.982 11.258 0.638 403 H PHE 60 HN PHE 60 -5.608 11.452 0.572 404 HA PHE 60 HA PHE 60 -5.284 9.446 -1.382 405 1HB PHE 60 HB2 PHE 60 -7.551 10.432 0.286 406 2HB PHE 60 HB3 PHE 60 -7.943 9.445 -1.123 407 HD1 PHE 60 HD1 PHE 60 -8.104 8.942 2.024 408 HD2 PHE 60 HD2 PHE 60 -5.530 7.709 -1.121 409 HE1 PHE 60 HE1 PHE 60 -7.531 6.905 3.289 410 HE2 PHE 60 HE2 PHE 60 -4.956 5.683 0.127 411 HZ PHE 60 HZ PHE 60 -5.960 5.277 2.325 412 H ALA 61 HN ALA 61 -6.343 12.711 -1.534 413 HA ALA 61 HA ALA 61 -7.874 12.703 -3.872 414 1HB ALA 61 HB1 ALA 61 -7.899 14.649 -2.543 415 2HB ALA 61 HB2 ALA 61 -6.144 14.811 -2.608 416 3HB ALA 61 HB3 ALA 61 -7.113 15.100 -4.055 417 H THR 62 HN THR 62 -4.423 12.383 -3.409 418 HA THR 62 HA THR 62 -3.933 12.913 -6.235 419 HB THR 62 HB THR 62 -1.522 12.270 -5.463 420 HG1 THR 62 HG1 THR 62 -2.625 11.933 -3.211 421 1HG2 THR 62 HG21 THR 62 -3.006 14.834 -5.040 422 2HG2 THR 62 HG22 THR 62 -1.920 14.391 -6.355 423 3HG2 THR 62 HG23 THR 62 -1.271 14.720 -4.749 424 H LEU 63 HN LEU 63 -5.187 10.378 -4.773 425 HA LEU 63 HA LEU 63 -3.502 8.279 -5.900 426 1HB LEU 63 HB2 LEU 63 -5.983 8.335 -4.228 427 2HB LEU 63 HB3 LEU 63 -5.556 6.870 -5.081 428 HG LEU 63 HG LEU 63 -4.312 8.112 -2.696 429 1HD1 LEU 63 HD11 LEU 63 -4.848 6.138 -1.804 430 2HD1 LEU 63 HD12 LEU 63 -5.668 5.754 -3.316 431 3HD1 LEU 63 HD13 LEU 63 -3.986 5.270 -3.074 432 1HD2 LEU 63 HD21 LEU 63 -2.723 6.416 -4.612 433 2HD2 LEU 63 HD22 LEU 63 -2.459 8.138 -4.312 434 3HD2 LEU 63 HD23 LEU 63 -2.217 6.969 -3.015 435 H GLY 64 HN GLY 64 -5.158 10.348 -7.435 436 1HA GLY 64 HA1 GLY 64 -5.892 10.130 -9.660 437 2HA GLY 64 HA2 GLY 64 -6.232 8.428 -9.351 438 H THR 65 HN THR 65 -8.268 7.836 -8.817 439 HA THR 65 HA THR 65 -10.120 9.845 -7.799 440 HB THR 65 HB THR 65 -11.526 8.406 -9.791 441 HG1 THR 65 HG1 THR 65 -9.538 10.023 -10.997 442 1HG2 THR 65 HG21 THR 65 -11.166 11.145 -10.491 443 2HG2 THR 65 HG22 THR 65 -11.317 11.024 -8.738 444 3HG2 THR 65 HG23 THR 65 -12.579 10.366 -9.777 445 H VAL 66 HN VAL 66 -9.818 8.368 -5.915 446 HA VAL 66 HA VAL 66 -10.989 5.730 -6.209 447 HB VAL 66 HB VAL 66 -10.606 5.365 -3.864 448 1HG1 VAL 66 HG11 VAL 66 -8.281 5.324 -3.852 449 2HG1 VAL 66 HG12 VAL 66 -8.708 5.316 -5.563 450 3HG1 VAL 66 HG13 VAL 66 -8.154 6.808 -4.801 451 1HG2 VAL 66 HG21 VAL 66 -10.742 7.007 -2.379 452 2HG2 VAL 66 HG22 VAL 66 -9.187 7.615 -2.961 453 3HG2 VAL 66 HG23 VAL 66 -10.689 8.218 -3.664 454 H GLU 67 HN GLU 67 -13.026 5.205 -5.952 455 HA GLU 67 HA GLU 67 -15.002 7.233 -5.536 456 1HB GLU 67 HB2 GLU 67 -14.930 4.418 -6.343 457 2HB GLU 67 HB3 GLU 67 -16.316 4.798 -5.335 458 1HG GLU 67 HG2 GLU 67 -17.342 5.774 -7.024 459 2HG GLU 67 HG3 GLU 67 -15.952 6.810 -7.351 460 H ASP 68 HN ASP 68 -16.751 7.023 -3.880 461 HA ASP 68 HA ASP 68 -15.680 6.973 -1.286 462 1HB ASP 68 HB2 ASP 68 -17.857 8.079 -2.079 463 2HB ASP 68 HB3 ASP 68 -18.606 6.502 -1.849 464 H LYS 69 HN LYS 69 -17.189 4.467 -3.218 465 HA LYS 69 HA LYS 69 -17.567 2.564 -1.165 466 1HB LYS 69 HB2 LYS 69 -17.806 0.939 -2.933 467 2HB LYS 69 HB3 LYS 69 -18.599 2.429 -3.421 468 1HG LYS 69 HG2 LYS 69 -16.019 2.663 -4.422 469 2HG LYS 69 HG3 LYS 69 -16.446 0.971 -4.690 470 1HD LYS 69 HD2 LYS 69 -18.725 2.477 -5.359 471 2HD LYS 69 HD3 LYS 69 -17.353 3.313 -6.084 472 1HE LYS 69 HE2 LYS 69 -16.649 1.026 -6.968 473 2HE LYS 69 HE3 LYS 69 -18.266 0.484 -6.522 474 1HZ LYS 69 HZ1 LYS 69 -18.285 1.127 -8.806 475 2HZ LYS 69 HZ2 LYS 69 -17.562 2.625 -8.466 476 3HZ LYS 69 HZ3 LYS 69 -19.144 2.304 -7.942 477 H TYR 70 HN TYR 70 -14.754 3.560 -2.957 478 HA TYR 70 HA TYR 70 -13.130 1.301 -2.186 479 1HB TYR 70 HB2 TYR 70 -12.608 3.915 -3.587 480 2HB TYR 70 HB3 TYR 70 -11.259 2.937 -3.016 481 HD1 TYR 70 HD1 TYR 70 -13.784 3.353 -5.564 482 HD2 TYR 70 HD2 TYR 70 -10.966 0.601 -3.927 483 HE1 TYR 70 HE1 TYR 70 -13.900 2.011 -7.620 484 HE2 TYR 70 HE2 TYR 70 -11.086 -0.741 -5.985 485 HH TYR 70 HH TYR 70 -12.348 -1.116 -7.890 486 H ARG 71 HN ARG 71 -13.847 4.507 -1.108 487 HA ARG 71 HA ARG 71 -11.802 4.738 0.848 488 1HB ARG 71 HB2 ARG 71 -14.239 6.213 0.073 489 2HB ARG 71 HB3 ARG 71 -13.749 6.374 1.757 490 1HG ARG 71 HG2 ARG 71 -11.372 6.711 0.529 491 2HG ARG 71 HG3 ARG 71 -12.472 7.391 -0.678 492 1HD ARG 71 HD2 ARG 71 -12.281 8.134 2.224 493 2HD ARG 71 HD3 ARG 71 -11.779 9.126 0.850 494 HE ARG 71 HE ARG 71 -14.569 8.414 1.520 495 1HH1 ARG 71 HH12 ARG 71 -12.227 10.624 0.123 496 2HH1 ARG 71 HH11 ARG 71 -13.445 11.680 -0.540 497 1HH2 ARG 71 HH22 ARG 71 -16.160 9.780 0.601 498 2HH2 ARG 71 HH21 ARG 71 -15.662 11.210 -0.253 499 H ARG 72 HN ARG 72 -14.998 3.339 0.762 500 HA ARG 72 HA ARG 72 -15.692 3.101 3.420 501 1HB ARG 72 HB2 ARG 72 -16.070 1.056 1.244 502 2HB ARG 72 HB3 ARG 72 -16.948 1.102 2.767 503 1HG ARG 72 HG2 ARG 72 -16.967 3.448 0.931 504 2HG ARG 72 HG3 ARG 72 -18.017 2.068 0.671 505 1HD ARG 72 HD2 ARG 72 -19.139 2.377 2.691 506 2HD ARG 72 HD3 ARG 72 -17.879 3.448 3.310 507 HE ARG 72 HE ARG 72 -18.661 5.022 1.491 508 1HH1 ARG 72 HH12 ARG 72 -20.803 2.738 3.051 509 2HH1 ARG 72 HH11 ARG 72 -22.233 3.644 2.690 510 1HH2 ARG 72 HH22 ARG 72 -20.518 6.234 1.066 511 2HH2 ARG 72 HH21 ARG 72 -22.071 5.661 1.605 512 H ARG 73 HN ARG 73 -14.100 0.505 1.549 513 HA ARG 73 HA ARG 73 -13.278 -0.769 3.994 514 1HB ARG 73 HB2 ARG 73 -12.676 -2.612 2.727 515 2HB ARG 73 HB3 ARG 73 -13.983 -1.914 1.787 516 1HG ARG 73 HG2 ARG 73 -11.134 -1.241 1.180 517 2HG ARG 73 HG3 ARG 73 -11.881 -2.721 0.564 518 1HD ARG 73 HD2 ARG 73 -13.787 -0.941 -0.056 519 2HD ARG 73 HD3 ARG 73 -12.363 0.102 -0.134 520 HE ARG 73 HE ARG 73 -11.474 -1.788 -1.673 521 1HH1 ARG 73 HH12 ARG 73 -14.816 -0.744 -1.488 522 2HH1 ARG 73 HH11 ARG 73 -15.210 -1.258 -3.099 523 1HH2 ARG 73 HH22 ARG 73 -12.005 -2.518 -3.796 524 2HH2 ARG 73 HH21 ARG 73 -13.612 -2.266 -4.411 525 H PHE 74 HN PHE 74 -12.112 1.793 2.331 526 HA PHE 74 HA PHE 74 -9.326 1.354 2.197 527 1HB PHE 74 HB2 PHE 74 -11.059 3.520 1.738 528 2HB PHE 74 HB3 PHE 74 -9.903 4.083 2.941 529 HD1 PHE 74 HD1 PHE 74 -10.326 4.882 -0.056 530 HD2 PHE 74 HD2 PHE 74 -7.587 2.341 1.973 531 HE1 PHE 74 HE1 PHE 74 -8.659 5.285 -1.820 532 HE2 PHE 74 HE2 PHE 74 -5.914 2.733 0.213 533 HZ PHE 74 HZ PHE 74 -6.444 4.207 -1.680 534 H LYS 75 HN LYS 75 -11.438 2.338 4.789 535 HA LYS 75 HA LYS 75 -9.535 3.147 6.685 536 1HB LYS 75 HB2 LYS 75 -11.322 2.625 8.358 537 2HB LYS 75 HB3 LYS 75 -11.873 3.633 7.024 538 1HG LYS 75 HG2 LYS 75 -12.710 1.494 5.935 539 2HG LYS 75 HG3 LYS 75 -12.412 0.721 7.503 540 1HD LYS 75 HD2 LYS 75 -13.926 3.244 7.586 541 2HD LYS 75 HD3 LYS 75 -14.751 1.877 6.839 542 1HE LYS 75 HE2 LYS 75 -13.759 0.694 9.054 543 2HE LYS 75 HE3 LYS 75 -13.981 2.339 9.651 544 1HZ LYS 75 HZ1 LYS 75 -16.131 0.904 8.218 545 2HZ LYS 75 HZ2 LYS 75 -16.257 2.248 9.250 546 3HZ LYS 75 HZ3 LYS 75 -15.901 0.721 9.890 547 H TYR 76 HN TYR 76 -10.454 -0.042 5.607 548 HA TYR 76 HA TYR 76 -9.423 -1.408 7.918 549 1HB TYR 76 HB2 TYR 76 -10.132 -2.480 5.184 550 2HB TYR 76 HB3 TYR 76 -9.798 -3.457 6.607 551 HD1 TYR 76 HD1 TYR 76 -12.371 -2.984 4.698 552 HD2 TYR 76 HD2 TYR 76 -11.280 -1.919 8.663 553 HE1 TYR 76 HE1 TYR 76 -14.749 -2.887 5.307 554 HE2 TYR 76 HE2 TYR 76 -13.655 -1.818 9.297 555 HH TYR 76 HH TYR 76 -15.868 -1.455 8.139 556 H PHE 77 HN PHE 77 -8.023 0.151 5.337 557 HA PHE 77 HA PHE 77 -5.621 -1.547 5.335 558 1HB PHE 77 HB2 PHE 77 -6.935 0.197 3.378 559 2HB PHE 77 HB3 PHE 77 -5.205 0.478 3.492 560 HD1 PHE 77 HD1 PHE 77 -7.117 -0.738 1.284 561 HD2 PHE 77 HD2 PHE 77 -4.326 -2.351 4.056 562 HE1 PHE 77 HE1 PHE 77 -6.728 -2.634 -0.223 563 HE2 PHE 77 HE2 PHE 77 -3.944 -4.260 2.560 564 HZ PHE 77 HZ PHE 77 -5.137 -4.398 0.414 565 H LYS 78 HN LYS 78 -6.916 1.294 6.623 566 HA LYS 78 HA LYS 78 -4.850 3.107 6.657 567 1HB LYS 78 HB2 LYS 78 -7.075 2.538 8.579 568 2HB LYS 78 HB3 LYS 78 -5.880 3.773 8.954 569 1HG LYS 78 HG2 LYS 78 -7.225 3.828 6.299 570 2HG LYS 78 HG3 LYS 78 -8.115 4.371 7.721 571 1HD LYS 78 HD2 LYS 78 -6.010 5.803 8.191 572 2HD LYS 78 HD3 LYS 78 -5.631 5.503 6.493 573 1HE LYS 78 HE2 LYS 78 -7.173 6.952 5.790 574 2HE LYS 78 HE3 LYS 78 -8.396 6.291 6.871 575 1HZ LYS 78 HZ1 LYS 78 -8.078 8.508 7.535 576 2HZ LYS 78 HZ2 LYS 78 -6.386 8.379 7.471 577 3HZ LYS 78 HZ3 LYS 78 -7.252 7.572 8.685 578 H ALA 79 HN ALA 79 -5.254 0.265 8.696 579 HA ALA 79 HA ALA 79 -3.277 0.909 10.621 580 1HB ALA 79 HB1 ALA 79 -4.697 -0.793 11.283 581 2HB ALA 79 HB2 ALA 79 -4.579 -1.632 9.736 582 3HB ALA 79 HB3 ALA 79 -3.225 -1.671 10.868 583 H THR 80 HN THR 80 -3.139 -0.545 7.456 584 HA THR 80 HA THR 80 -0.362 -1.305 7.695 585 HB THR 80 HB THR 80 -1.465 -1.283 5.005 586 HG1 THR 80 HG1 THR 80 -2.838 -3.144 6.463 587 1HG2 THR 80 HG21 THR 80 0.251 -2.862 6.577 588 2HG2 THR 80 HG22 THR 80 -0.193 -3.114 4.889 589 3HG2 THR 80 HG23 THR 80 -1.118 -3.894 6.172 590 H ILE 81 HN ILE 81 -2.290 1.140 5.973 591 HA ILE 81 HA ILE 81 -0.209 2.293 4.494 592 HB ILE 81 HB ILE 81 -2.546 3.814 5.656 593 1HG1 ILE 81 HG12 ILE 81 -2.497 2.368 3.005 594 2HG1 ILE 81 HG13 ILE 81 -3.226 1.695 4.458 595 1HG2 ILE 81 HG21 ILE 81 -0.613 4.297 3.445 596 2HG2 ILE 81 HG22 ILE 81 -2.256 4.921 3.300 597 3HG2 ILE 81 HG23 ILE 81 -1.243 5.413 4.657 598 1HD1 ILE 81 HD11 ILE 81 -5.027 3.030 4.337 599 2HD1 ILE 81 HD12 ILE 81 -4.109 4.401 3.714 600 3HD1 ILE 81 HD13 ILE 81 -4.585 3.087 2.632 601 H ALA 82 HN ALA 82 -1.465 3.102 7.712 602 HA ALA 82 HA ALA 82 0.297 5.251 8.217 603 1HB ALA 82 HB1 ALA 82 -0.915 3.469 10.312 604 2HB ALA 82 HB2 ALA 82 -0.459 5.166 10.456 605 3HB ALA 82 HB3 ALA 82 -1.833 4.706 9.454 606 H ASP 83 HN ASP 83 0.472 1.814 9.039 607 HA ASP 83 HA ASP 83 2.854 1.885 10.523 608 1HB ASP 83 HB2 ASP 83 1.514 -0.081 10.668 609 2HB ASP 83 HB3 ASP 83 1.518 -0.308 8.922 610 H LEU 84 HN LEU 84 2.372 0.991 7.102 611 HA LEU 84 HA LEU 84 5.117 0.772 6.541 612 1HB LEU 84 HB2 LEU 84 2.752 1.260 4.754 613 2HB LEU 84 HB3 LEU 84 4.377 1.011 4.143 614 HG LEU 84 HG LEU 84 3.238 -1.023 5.992 615 1HD1 LEU 84 HD11 LEU 84 1.557 -0.380 4.119 616 2HD1 LEU 84 HD12 LEU 84 2.686 -1.236 3.065 617 3HD1 LEU 84 HD13 LEU 84 1.932 -2.081 4.413 618 1HD2 LEU 84 HD21 LEU 84 4.544 -2.102 3.740 619 2HD2 LEU 84 HD22 LEU 84 5.513 -0.742 4.309 620 3HD2 LEU 84 HD23 LEU 84 5.104 -2.056 5.411 621 H SER 85 HN SER 85 3.010 3.542 6.683 622 HA SER 85 HA SER 85 4.713 5.295 5.221 623 1HB SER 85 HB2 SER 85 2.170 5.463 6.054 624 2HB SER 85 HB3 SER 85 2.951 6.454 7.282 625 HG SER 85 HG SER 85 2.651 6.879 4.535 626 H LYS 86 HN LYS 86 4.581 4.111 8.474 627 HA LYS 86 HA LYS 86 6.394 6.143 9.495 628 1HB LYS 86 HB2 LYS 86 4.553 4.332 10.644 629 2HB LYS 86 HB3 LYS 86 6.146 3.870 11.233 630 1HG LYS 86 HG2 LYS 86 4.986 5.441 12.717 631 2HG LYS 86 HG3 LYS 86 6.510 6.086 12.103 632 1HD LYS 86 HD2 LYS 86 4.674 6.917 10.230 633 2HD LYS 86 HD3 LYS 86 3.776 7.049 11.745 634 1HE LYS 86 HE2 LYS 86 6.044 8.179 12.552 635 2HE LYS 86 HE3 LYS 86 6.203 8.516 10.830 636 1HZ LYS 86 HZ1 LYS 86 3.594 9.162 11.580 637 2HZ LYS 86 HZ2 LYS 86 4.829 10.214 11.088 638 3HZ LYS 86 HZ3 LYS 86 4.631 9.853 12.734 639 H LYS 87 HN LYS 87 6.668 3.450 7.646 640 HA LYS 87 HA LYS 87 9.310 2.713 8.687 641 1HB LYS 87 HB2 LYS 87 7.736 1.208 6.598 642 2HB LYS 87 HB3 LYS 87 9.112 0.638 7.529 643 1HG LYS 87 HG2 LYS 87 7.083 1.354 9.371 644 2HG LYS 87 HG3 LYS 87 6.342 0.396 8.091 645 1HD LYS 87 HD2 LYS 87 7.028 -1.214 9.589 646 2HD LYS 87 HD3 LYS 87 8.361 -1.177 8.433 647 1HE LYS 87 HE2 LYS 87 8.994 0.767 10.316 648 2HE LYS 87 HE3 LYS 87 8.366 -0.588 11.262 649 1HZ LYS 87 HZ1 LYS 87 9.959 -2.040 10.270 650 2HZ LYS 87 HZ2 LYS 87 10.792 -0.689 10.851 651 3HZ LYS 87 HZ3 LYS 87 10.475 -0.846 9.183 652 H ARG 88 HN ARG 88 7.576 3.868 5.870 653 HA ARG 88 HA ARG 88 9.720 3.674 4.022 654 1HB ARG 88 HB2 ARG 88 7.088 4.082 3.761 655 2HB ARG 88 HB3 ARG 88 7.639 5.744 3.605 656 1HG ARG 88 HG2 ARG 88 9.322 4.744 1.897 657 2HG ARG 88 HG3 ARG 88 8.172 3.406 1.841 658 1HD ARG 88 HD2 ARG 88 7.966 5.435 0.194 659 2HD ARG 88 HD3 ARG 88 6.536 4.675 0.884 660 HE ARG 88 HE ARG 88 6.543 6.522 2.535 661 1HH1 ARG 88 HH12 ARG 88 8.080 6.968 -0.586 662 2HH1 ARG 88 HH11 ARG 88 7.940 8.698 -0.545 663 1HH2 ARG 88 HH22 ARG 88 6.303 8.752 2.561 664 2HH2 ARG 88 HH21 ARG 88 6.936 9.711 1.259 665 H SER 89 HN SER 89 9.549 5.610 6.684 666 HA SER 89 HA SER 89 10.381 8.128 5.724 667 1HB SER 89 HB2 SER 89 11.550 7.452 8.293 668 2HB SER 89 HB3 SER 89 10.319 8.654 7.911 669 HG SER 89 HG SER 89 9.664 6.891 9.357 670 H SER 90 HN SER 90 12.138 5.166 6.495 671 HA SER 90 HA SER 90 14.447 6.207 5.059 672 1HB SER 90 HB2 SER 90 15.890 5.171 6.999 673 2HB SER 90 HB3 SER 90 15.254 6.809 7.157 674 HG SER 90 HG SER 90 14.914 4.883 8.847 675 H GLU 91 HN GLU 91 14.005 3.434 7.227 676 HA GLU 91 HA GLU 91 13.674 1.579 5.069 677 1HB GLU 91 HB2 GLU 91 15.716 0.374 5.308 678 2HB GLU 91 HB3 GLU 91 16.170 2.068 5.162 679 1HG GLU 91 HG2 GLU 91 16.450 2.215 7.571 680 2HG GLU 91 HG3 GLU 91 15.961 0.530 7.736 Start of MODEL 11 1 H GLU 11 HN GLU 11 18.594 -0.841 -0.069 2 HA GLU 11 HA GLU 11 16.458 -0.997 0.660 3 1HB GLU 11 HB2 GLU 11 17.818 0.306 2.679 4 2HB GLU 11 HB3 GLU 11 16.441 1.363 2.404 5 1HG GLU 11 HG2 GLU 11 16.069 -0.346 4.149 6 2HG GLU 11 HG3 GLU 11 14.904 -0.418 2.827 7 H LEU 12 HN LEU 12 17.202 0.679 -1.582 8 HA LEU 12 HA LEU 12 15.560 2.993 -1.674 9 1HB LEU 12 HB2 LEU 12 16.920 1.345 -3.786 10 2HB LEU 12 HB3 LEU 12 15.972 2.774 -4.166 11 HG LEU 12 HG LEU 12 18.022 3.215 -2.102 12 1HD1 LEU 12 HD11 LEU 12 19.475 1.845 -3.263 13 2HD1 LEU 12 HD12 LEU 12 18.745 2.219 -4.824 14 3HD1 LEU 12 HD13 LEU 12 19.758 3.414 -4.021 15 1HD2 LEU 12 HD21 LEU 12 16.501 4.848 -3.473 16 2HD2 LEU 12 HD22 LEU 12 18.153 5.298 -3.059 17 3HD2 LEU 12 HD23 LEU 12 17.783 4.697 -4.678 18 H ASN 13 HN ASN 13 15.094 -0.380 -2.584 19 HA ASN 13 HA ASN 13 12.505 0.191 -3.779 20 1HB ASN 13 HB2 ASN 13 12.441 -2.165 -4.391 21 2HB ASN 13 HB3 ASN 13 14.005 -1.490 -4.827 22 1HD2 ASN 13 HD21 ASN 13 13.143 -4.257 -4.298 23 2HD2 ASN 13 HD22 ASN 13 14.221 -4.848 -3.074 24 H ASN 14 HN ASN 14 12.711 0.861 -1.060 25 HA ASN 14 HA ASN 14 11.669 -1.099 0.686 26 1HB ASN 14 HB2 ASN 14 12.691 1.342 1.056 27 2HB ASN 14 HB3 ASN 14 10.983 1.764 1.119 28 1HD2 ASN 14 HD21 ASN 14 13.478 1.151 3.041 29 2HD2 ASN 14 HD22 ASN 14 12.691 0.395 4.383 30 H LEU 15 HN LEU 15 10.259 0.968 -1.671 31 HA LEU 15 HA LEU 15 7.591 1.018 -0.841 32 1HB LEU 15 HB2 LEU 15 8.965 2.169 -2.837 33 2HB LEU 15 HB3 LEU 15 8.157 0.906 -3.741 34 HG LEU 15 HG LEU 15 6.396 2.448 -1.961 35 1HD1 LEU 15 HD11 LEU 15 6.494 4.485 -2.977 36 2HD1 LEU 15 HD12 LEU 15 8.198 4.032 -3.053 37 3HD1 LEU 15 HD13 LEU 15 7.169 3.833 -4.470 38 1HD2 LEU 15 HD21 LEU 15 6.224 1.784 -4.898 39 2HD2 LEU 15 HD22 LEU 15 5.658 0.730 -3.601 40 3HD2 LEU 15 HD23 LEU 15 4.913 2.310 -3.841 41 H ARG 16 HN ARG 16 9.445 -1.478 -2.440 42 HA ARG 16 HA ARG 16 7.301 -2.968 -3.504 43 1HB ARG 16 HB2 ARG 16 10.001 -3.183 -3.662 44 2HB ARG 16 HB3 ARG 16 9.627 -4.509 -2.573 45 1HG ARG 16 HG2 ARG 16 7.730 -4.629 -4.619 46 2HG ARG 16 HG3 ARG 16 9.280 -4.339 -5.403 47 1HD ARG 16 HD2 ARG 16 9.560 -6.550 -5.255 48 2HD ARG 16 HD3 ARG 16 9.918 -6.260 -3.553 49 HE ARG 16 HE ARG 16 8.012 -7.372 -3.041 50 1HH1 ARG 16 HH12 ARG 16 7.707 -6.241 -6.351 51 2HH1 ARG 16 HH11 ARG 16 6.178 -7.010 -6.603 52 1HH2 ARG 16 HH22 ARG 16 6.084 -8.455 -3.409 53 2HH2 ARG 16 HH21 ARG 16 5.268 -8.318 -4.942 54 H MET 17 HN MET 17 8.779 -2.859 -0.349 55 HA MET 17 HA MET 17 7.486 -5.149 0.738 56 1HB MET 17 HB2 MET 17 9.544 -3.886 1.622 57 2HB MET 17 HB3 MET 17 8.398 -2.755 2.325 58 1HG MET 17 HG2 MET 17 7.378 -5.047 3.242 59 2HG MET 17 HG3 MET 17 9.062 -5.528 3.081 60 1HE MET 17 HE1 MET 17 8.583 -5.381 6.579 61 2HE MET 17 HE2 MET 17 7.199 -4.291 6.503 62 3HE MET 17 HE3 MET 17 7.319 -5.644 5.377 63 H THR 18 HN THR 18 6.700 -1.743 0.477 64 HA THR 18 HA THR 18 4.435 -1.651 2.169 65 HB THR 18 HB THR 18 4.682 -0.035 -0.369 66 HG1 THR 18 HG1 THR 18 6.329 0.035 1.940 67 1HG2 THR 18 HG21 THR 18 3.561 1.649 0.831 68 2HG2 THR 18 HG22 THR 18 3.908 0.897 2.390 69 3HG2 THR 18 HG23 THR 18 2.737 0.163 1.294 70 H TYR 19 HN TYR 19 4.811 -2.308 -1.283 71 HA TYR 19 HA TYR 19 2.080 -2.697 -1.855 72 1HB TYR 19 HB2 TYR 19 3.755 -2.322 -3.620 73 2HB TYR 19 HB3 TYR 19 4.508 -3.869 -3.234 74 HD1 TYR 19 HD1 TYR 19 1.634 -2.230 -4.806 75 HD2 TYR 19 HD2 TYR 19 3.462 -5.973 -3.892 76 HE1 TYR 19 HE1 TYR 19 0.162 -3.340 -6.425 77 HE2 TYR 19 HE2 TYR 19 1.982 -7.085 -5.516 78 HH TYR 19 HH TYR 19 -0.046 -6.797 -6.667 79 H GLU 20 HN GLU 20 4.640 -4.868 -0.767 80 HA GLU 20 HA GLU 20 3.232 -7.281 -1.082 81 1HB GLU 20 HB2 GLU 20 5.728 -6.415 0.040 82 2HB GLU 20 HB3 GLU 20 4.969 -7.577 1.122 83 1HG GLU 20 HG2 GLU 20 5.103 -9.279 -0.411 84 2HG GLU 20 HG3 GLU 20 5.084 -8.170 -1.779 85 H ARG 21 HN ARG 21 3.603 -5.168 1.766 86 HA ARG 21 HA ARG 21 2.073 -6.718 3.547 87 1HB ARG 21 HB2 ARG 21 3.557 -4.669 4.022 88 2HB ARG 21 HB3 ARG 21 2.154 -3.709 3.591 89 1HG ARG 21 HG2 ARG 21 1.330 -3.936 5.623 90 2HG ARG 21 HG3 ARG 21 1.377 -5.695 5.483 91 1HD ARG 21 HD2 ARG 21 4.014 -5.041 5.900 92 2HD ARG 21 HD3 ARG 21 3.167 -3.868 6.905 93 HE ARG 21 HE ARG 21 2.493 -6.710 7.144 94 1HH1 ARG 21 HH12 ARG 21 3.756 -3.757 8.566 95 2HH1 ARG 21 HH11 ARG 21 3.890 -4.439 10.160 96 1HH2 ARG 21 HH22 ARG 21 2.695 -7.619 9.237 97 2HH2 ARG 21 HH21 ARG 21 3.276 -6.632 10.551 98 H LEU 22 HN LEU 22 1.165 -4.436 1.070 99 HA LEU 22 HA LEU 22 -1.600 -4.212 1.852 100 1HB LEU 22 HB2 LEU 22 0.073 -3.398 -0.483 101 2HB LEU 22 HB3 LEU 22 -1.665 -3.427 -0.670 102 HG LEU 22 HG LEU 22 -0.501 -1.941 1.637 103 1HD1 LEU 22 HD11 LEU 22 0.808 -0.807 0.188 104 2HD1 LEU 22 HD12 LEU 22 -0.134 -1.299 -1.220 105 3HD1 LEU 22 HD13 LEU 22 -0.705 0.018 -0.199 106 1HD2 LEU 22 HD21 LEU 22 -2.571 -0.599 0.247 107 2HD2 LEU 22 HD22 LEU 22 -3.043 -2.299 0.359 108 3HD2 LEU 22 HD23 LEU 22 -2.656 -1.387 1.822 109 H ARG 23 HN ARG 23 0.254 -6.105 -0.497 110 HA ARG 23 HA ARG 23 -1.998 -7.288 -1.762 111 1HB ARG 23 HB2 ARG 23 0.250 -7.157 -2.800 112 2HB ARG 23 HB3 ARG 23 0.855 -8.288 -1.600 113 1HG ARG 23 HG2 ARG 23 0.352 -9.927 -2.993 114 2HG ARG 23 HG3 ARG 23 -1.356 -9.541 -2.753 115 1HD ARG 23 HD2 ARG 23 -0.694 -7.662 -4.555 116 2HD ARG 23 HD3 ARG 23 0.445 -8.931 -5.007 117 HE ARG 23 HE ARG 23 -1.669 -10.409 -4.984 118 1HH1 ARG 23 HH12 ARG 23 -1.464 -7.097 -6.117 119 2HH1 ARG 23 HH11 ARG 23 -2.870 -7.226 -7.129 120 1HH2 ARG 23 HH22 ARG 23 -3.453 -10.611 -6.393 121 2HH2 ARG 23 HH21 ARG 23 -3.982 -9.242 -7.329 122 H GLU 24 HN GLU 24 0.046 -8.226 0.945 123 HA GLU 24 HA GLU 24 -1.081 -10.826 1.231 124 1HB GLU 24 HB2 GLU 24 1.004 -9.275 2.394 125 2HB GLU 24 HB3 GLU 24 -0.033 -9.835 3.691 126 1HG GLU 24 HG2 GLU 24 1.230 -11.591 1.603 127 2HG GLU 24 HG3 GLU 24 1.831 -11.357 3.239 128 H LEU 25 HN LEU 25 -1.744 -7.644 2.557 129 HA LEU 25 HA LEU 25 -3.647 -8.551 4.489 130 1HB LEU 25 HB2 LEU 25 -2.272 -6.201 4.055 131 2HB LEU 25 HB3 LEU 25 -3.900 -5.778 3.571 132 HG LEU 25 HG LEU 25 -2.768 -6.148 6.219 133 1HD1 LEU 25 HD11 LEU 25 -5.008 -4.656 4.955 134 2HD1 LEU 25 HD12 LEU 25 -4.986 -4.849 6.709 135 3HD1 LEU 25 HD13 LEU 25 -3.634 -4.067 5.891 136 1HD2 LEU 25 HD21 LEU 25 -4.908 -7.936 5.418 137 2HD2 LEU 25 HD22 LEU 25 -3.919 -7.942 6.873 138 3HD2 LEU 25 HD23 LEU 25 -5.365 -6.925 6.788 139 H SER 26 HN SER 26 -3.774 -7.294 1.203 140 HA SER 26 HA SER 26 -6.560 -6.959 0.990 141 1HB SER 26 HB2 SER 26 -4.217 -6.928 -0.751 142 2HB SER 26 HB3 SER 26 -5.633 -7.571 -1.566 143 HG SER 26 HG SER 26 -5.278 -5.051 -0.361 144 H LEU 27 HN LEU 27 -4.457 -9.726 0.490 145 HA LEU 27 HA LEU 27 -6.517 -11.393 -0.612 146 1HB LEU 27 HB2 LEU 27 -3.670 -11.644 0.148 147 2HB LEU 27 HB3 LEU 27 -4.613 -13.112 0.311 148 HG LEU 27 HG LEU 27 -5.221 -13.041 -2.038 149 1HD1 LEU 27 HD11 LEU 27 -4.935 -10.390 -1.976 150 2HD1 LEU 27 HD12 LEU 27 -3.368 -10.825 -2.658 151 3HD1 LEU 27 HD13 LEU 27 -4.852 -11.329 -3.468 152 1HD2 LEU 27 HD21 LEU 27 -2.409 -13.059 -1.159 153 2HD2 LEU 27 HD22 LEU 27 -3.345 -14.289 -2.012 154 3HD2 LEU 27 HD23 LEU 27 -2.678 -12.915 -2.895 155 H ASN 28 HN ASN 28 -5.252 -10.618 2.524 156 HA ASN 28 HA ASN 28 -6.439 -12.802 3.906 157 1HB ASN 28 HB2 ASN 28 -4.488 -11.170 4.597 158 2HB ASN 28 HB3 ASN 28 -5.809 -10.219 5.273 159 1HD2 ASN 28 HD21 ASN 28 -4.427 -13.468 5.249 160 2HD2 ASN 28 HD22 ASN 28 -4.876 -13.856 6.880 161 H LEU 29 HN LEU 29 -7.207 -9.339 4.109 162 HA LEU 29 HA LEU 29 -9.688 -9.698 5.383 163 1HB LEU 29 HB2 LEU 29 -8.734 -7.394 3.682 164 2HB LEU 29 HB3 LEU 29 -10.141 -7.354 4.730 165 HG LEU 29 HG LEU 29 -7.499 -8.039 5.935 166 1HD1 LEU 29 HD11 LEU 29 -6.810 -5.798 6.072 167 2HD1 LEU 29 HD12 LEU 29 -7.273 -6.033 4.384 168 3HD1 LEU 29 HD13 LEU 29 -8.366 -5.202 5.492 169 1HD2 LEU 29 HD21 LEU 29 -9.441 -6.147 7.107 170 2HD2 LEU 29 HD22 LEU 29 -9.952 -7.831 6.978 171 3HD2 LEU 29 HD23 LEU 29 -8.488 -7.420 7.871 172 H GLY 30 HN GLY 30 -8.828 -9.478 1.978 173 1HA GLY 30 HA1 GLY 30 -11.419 -9.169 0.942 174 2HA GLY 30 HA2 GLY 30 -10.044 -9.828 0.077 175 H ASN 31 HN ASN 31 -9.606 -12.110 1.781 176 HA ASN 31 HA ASN 31 -11.830 -13.724 0.769 177 1HB ASN 31 HB2 ASN 31 -9.183 -14.158 0.589 178 2HB ASN 31 HB3 ASN 31 -9.507 -15.033 2.083 179 1HD2 ASN 31 HD21 ASN 31 -10.185 -17.040 1.921 180 2HD2 ASN 31 HD22 ASN 31 -10.802 -17.790 0.481 181 H ARG 32 HN ARG 32 -10.800 -12.378 3.694 182 HA ARG 32 HA ARG 32 -12.021 -14.415 5.381 183 1HB ARG 32 HB2 ARG 32 -10.103 -13.525 6.366 184 2HB ARG 32 HB3 ARG 32 -10.458 -11.895 5.817 185 1HG ARG 32 HG2 ARG 32 -12.540 -12.577 7.559 186 2HG ARG 32 HG3 ARG 32 -11.052 -13.153 8.316 187 1HD ARG 32 HD2 ARG 32 -10.606 -10.566 7.187 188 2HD ARG 32 HD3 ARG 32 -12.039 -10.518 8.213 189 HE ARG 32 HE ARG 32 -9.686 -11.793 9.347 190 1HH1 ARG 32 HH12 ARG 32 -11.644 -8.887 9.073 191 2HH1 ARG 32 HH11 ARG 32 -11.003 -8.174 10.526 192 1HH2 ARG 32 HH22 ARG 32 -8.829 -10.832 11.245 193 2HH2 ARG 32 HH21 ARG 32 -9.417 -9.277 11.765 194 H MET 33 HN MET 33 -12.962 -11.804 3.562 195 HA MET 33 HA MET 33 -15.203 -11.062 5.279 196 1HB MET 33 HB2 MET 33 -13.659 -9.559 3.583 197 2HB MET 33 HB3 MET 33 -15.052 -9.900 2.573 198 1HG MET 33 HG2 MET 33 -16.277 -8.391 3.635 199 2HG MET 33 HG3 MET 33 -15.912 -9.108 5.201 200 1HE MET 33 HE1 MET 33 -16.025 -5.590 4.171 201 2HE MET 33 HE2 MET 33 -14.449 -5.286 3.438 202 3HE MET 33 HE3 MET 33 -15.528 -6.494 2.740 203 H VAL 34 HN VAL 34 -17.249 -11.778 4.911 204 HA VAL 34 HA VAL 34 -17.662 -13.387 2.471 205 HB VAL 34 HB VAL 34 -19.005 -13.946 5.123 206 1HG1 VAL 34 HG11 VAL 34 -18.649 -16.135 3.241 207 2HG1 VAL 34 HG12 VAL 34 -20.105 -15.569 4.059 208 3HG1 VAL 34 HG13 VAL 34 -19.575 -14.796 2.562 209 1HG2 VAL 34 HG21 VAL 34 -17.324 -16.023 4.891 210 2HG2 VAL 34 HG22 VAL 34 -16.332 -14.766 4.153 211 3HG2 VAL 34 HG23 VAL 34 -16.929 -14.565 5.800 212 HA PRO 35 HA PRO 35 -18.950 -13.810 0.907 213 1HB PRO 35 HB2 PRO 35 -19.546 -12.402 -1.337 214 2HB PRO 35 HB3 PRO 35 -20.734 -13.392 -0.482 215 1HG PRO 35 HG2 PRO 35 -20.304 -10.432 -0.363 216 2HG PRO 35 HG3 PRO 35 -21.827 -11.335 -0.454 217 1HD PRO 35 HD2 PRO 35 -20.871 -10.317 1.862 218 2HD PRO 35 HD3 PRO 35 -21.830 -11.809 1.792 219 HA PRO 36 HA PRO 36 -14.881 -12.194 0.432 220 1HB PRO 36 HB2 PRO 36 -14.947 -13.575 -2.208 221 2HB PRO 36 HB3 PRO 36 -13.747 -13.669 -0.908 222 1HG PRO 36 HG2 PRO 36 -15.466 -15.650 -1.235 223 2HG PRO 36 HG3 PRO 36 -15.081 -15.073 0.394 224 1HD PRO 36 HD2 PRO 36 -17.518 -14.531 -1.279 225 2HD PRO 36 HD3 PRO 36 -17.398 -14.861 0.464 226 H VAL 37 HN VAL 37 -13.973 -10.438 -0.354 227 HA VAL 37 HA VAL 37 -15.469 -8.693 -2.028 228 HB VAL 37 HB VAL 37 -12.566 -8.228 -1.491 229 1HG1 VAL 37 HG11 VAL 37 -15.031 -6.587 -1.778 230 2HG1 VAL 37 HG12 VAL 37 -13.634 -5.946 -0.911 231 3HG1 VAL 37 HG13 VAL 37 -13.475 -6.438 -2.598 232 1HG2 VAL 37 HG21 VAL 37 -13.150 -7.338 0.739 233 2HG2 VAL 37 HG22 VAL 37 -14.744 -8.075 0.585 234 3HG2 VAL 37 HG23 VAL 37 -13.300 -9.090 0.626 235 H GLY 38 HN GLY 38 -12.869 -10.937 -2.553 236 1HA GLY 38 HA1 GLY 38 -12.107 -11.829 -4.551 237 2HA GLY 38 HA2 GLY 38 -13.119 -10.686 -5.425 238 H ASN 39 HN ASN 39 -12.370 -8.322 -4.720 239 HA ASN 39 HA ASN 39 -9.454 -8.153 -4.937 240 1HB ASN 39 HB2 ASN 39 -11.272 -7.471 -7.026 241 2HB ASN 39 HB3 ASN 39 -10.603 -5.976 -6.385 242 1HD2 ASN 39 HD21 ASN 39 -10.155 -8.410 -8.565 243 2HD2 ASN 39 HD22 ASN 39 -8.450 -8.231 -8.854 244 H PHE 40 HN PHE 40 -9.559 -7.722 -2.709 245 HA PHE 40 HA PHE 40 -11.072 -5.807 -1.420 246 1HB PHE 40 HB2 PHE 40 -9.581 -7.508 -0.356 247 2HB PHE 40 HB3 PHE 40 -8.200 -6.500 -0.769 248 HD1 PHE 40 HD1 PHE 40 -7.346 -5.394 1.029 249 HD2 PHE 40 HD2 PHE 40 -11.548 -5.932 0.716 250 HE1 PHE 40 HE1 PHE 40 -7.654 -4.137 3.117 251 HE2 PHE 40 HE2 PHE 40 -11.880 -4.692 2.800 252 HZ PHE 40 HZ PHE 40 -9.841 -3.804 4.031 253 H MET 41 HN MET 41 -7.993 -5.424 -3.069 254 HA MET 41 HA MET 41 -8.561 -2.637 -3.532 255 1HB MET 41 HB2 MET 41 -7.140 -2.960 -1.369 256 2HB MET 41 HB3 MET 41 -5.838 -3.346 -2.485 257 1HG MET 41 HG2 MET 41 -5.922 -0.973 -1.725 258 2HG MET 41 HG3 MET 41 -5.919 -1.201 -3.474 259 1HE MET 41 HE1 MET 41 -9.072 0.029 -0.603 260 2HE MET 41 HE2 MET 41 -7.316 0.021 -0.452 261 3HE MET 41 HE3 MET 41 -8.135 1.427 -1.135 262 HA PRO 42 HA PRO 42 -7.190 -4.355 -7.452 263 1HB PRO 42 HB2 PRO 42 -7.159 -1.468 -8.173 264 2HB PRO 42 HB3 PRO 42 -7.964 -2.824 -8.975 265 1HG PRO 42 HG2 PRO 42 -9.372 -1.072 -7.539 266 2HG PRO 42 HG3 PRO 42 -9.758 -2.803 -7.511 267 1HD PRO 42 HD2 PRO 42 -8.314 -1.144 -5.479 268 2HD PRO 42 HD3 PRO 42 -9.493 -2.456 -5.238 269 H ASP 43 HN ASP 43 -5.255 -4.586 -8.431 270 HA ASP 43 HA ASP 43 -2.884 -4.080 -7.154 271 1HB ASP 43 HB2 ASP 43 -2.829 -5.731 -8.808 272 2HB ASP 43 HB3 ASP 43 -3.559 -4.681 -10.018 273 H SER 44 HN SER 44 -4.435 -2.098 -9.647 274 HA SER 44 HA SER 44 -2.324 -0.267 -9.969 275 1HB SER 44 HB2 SER 44 -5.278 0.296 -10.324 276 2HB SER 44 HB3 SER 44 -3.928 1.166 -11.062 277 HG SER 44 HG SER 44 -3.343 -0.846 -12.070 278 H ILE 45 HN ILE 45 -5.108 -0.257 -7.762 279 HA ILE 45 HA ILE 45 -4.499 2.301 -6.648 280 HB ILE 45 HB ILE 45 -6.146 0.087 -5.405 281 1HG1 ILE 45 HG12 ILE 45 -6.725 1.082 -7.795 282 2HG1 ILE 45 HG13 ILE 45 -7.979 0.743 -6.614 283 1HG2 ILE 45 HG21 ILE 45 -7.286 2.220 -4.418 284 2HG2 ILE 45 HG22 ILE 45 -5.803 1.597 -3.692 285 3HG2 ILE 45 HG23 ILE 45 -5.736 2.979 -4.785 286 1HD1 ILE 45 HD11 ILE 45 -8.601 2.876 -6.543 287 2HD1 ILE 45 HD12 ILE 45 -6.940 3.425 -6.325 288 3HD1 ILE 45 HD13 ILE 45 -7.561 3.124 -7.947 289 H LEU 46 HN LEU 46 -3.662 -1.020 -5.899 290 HA LEU 46 HA LEU 46 -2.541 -0.613 -3.344 291 1HB LEU 46 HB2 LEU 46 -1.911 -2.647 -5.490 292 2HB LEU 46 HB3 LEU 46 -1.183 -2.684 -3.898 293 HG LEU 46 HG LEU 46 -4.155 -2.871 -4.370 294 1HD1 LEU 46 HD11 LEU 46 -3.937 -5.248 -4.060 295 2HD1 LEU 46 HD12 LEU 46 -2.912 -4.757 -5.408 296 3HD1 LEU 46 HD13 LEU 46 -2.195 -5.098 -3.832 297 1HD2 LEU 46 HD21 LEU 46 -3.708 -4.069 -2.029 298 2HD2 LEU 46 HD22 LEU 46 -2.364 -2.924 -2.013 299 3HD2 LEU 46 HD23 LEU 46 -4.021 -2.337 -2.163 300 H LYS 47 HN LYS 47 -1.258 -0.242 -6.599 301 HA LYS 47 HA LYS 47 1.448 0.137 -5.816 302 1HB LYS 47 HB2 LYS 47 -0.095 0.690 -8.324 303 2HB LYS 47 HB3 LYS 47 1.591 1.151 -8.178 304 1HG LYS 47 HG2 LYS 47 2.238 -1.146 -7.830 305 2HG LYS 47 HG3 LYS 47 0.546 -1.649 -7.825 306 1HD LYS 47 HD2 LYS 47 0.345 -0.810 -10.151 307 2HD LYS 47 HD3 LYS 47 2.072 -0.445 -10.134 308 1HE LYS 47 HE2 LYS 47 2.679 -2.656 -10.185 309 2HE LYS 47 HE3 LYS 47 1.183 -3.186 -9.407 310 1HZ LYS 47 HZ1 LYS 47 1.540 -3.634 -11.909 311 2HZ LYS 47 HZ2 LYS 47 1.089 -2.011 -12.103 312 3HZ LYS 47 HZ3 LYS 47 0.020 -3.107 -11.369 313 H LYS 48 HN LYS 48 -1.160 2.428 -6.662 314 HA LYS 48 HA LYS 48 0.510 4.714 -6.333 315 1HB LYS 48 HB2 LYS 48 -1.807 5.899 -6.140 316 2HB LYS 48 HB3 LYS 48 -1.307 5.200 -7.673 317 1HG LYS 48 HG2 LYS 48 -2.679 3.228 -7.229 318 2HG LYS 48 HG3 LYS 48 -3.143 3.904 -5.665 319 1HD LYS 48 HD2 LYS 48 -4.941 4.577 -6.895 320 2HD LYS 48 HD3 LYS 48 -3.874 5.951 -7.183 321 1HE LYS 48 HE2 LYS 48 -3.075 4.682 -9.247 322 2HE LYS 48 HE3 LYS 48 -4.461 3.625 -8.989 323 1HZ LYS 48 HZ1 LYS 48 -4.435 6.013 -10.364 324 2HZ LYS 48 HZ2 LYS 48 -5.239 6.360 -8.909 325 3HZ LYS 48 HZ3 LYS 48 -5.805 5.114 -9.906 326 H MET 49 HN MET 49 -1.733 3.010 -4.226 327 HA MET 49 HA MET 49 -1.607 4.908 -2.118 328 1HB MET 49 HB2 MET 49 -3.263 3.668 -1.298 329 2HB MET 49 HB3 MET 49 -3.076 2.592 -2.671 330 1HG MET 49 HG2 MET 49 -2.290 0.951 -1.405 331 2HG MET 49 HG3 MET 49 -1.170 2.023 -0.559 332 1HE MET 49 HE1 MET 49 -5.298 0.633 0.734 333 2HE MET 49 HE2 MET 49 -5.207 1.591 -0.744 334 3HE MET 49 HE3 MET 49 -4.309 0.082 -0.626 335 H ALA 50 HN ALA 50 0.390 2.195 -3.050 336 HA ALA 50 HA ALA 50 1.822 2.097 -0.552 337 1HB ALA 50 HB1 ALA 50 2.530 0.885 -3.229 338 2HB ALA 50 HB2 ALA 50 3.295 0.510 -1.684 339 3HB ALA 50 HB3 ALA 50 1.601 0.096 -1.955 340 H ALA 51 HN ALA 51 2.156 3.734 -3.610 341 HA ALA 51 HA ALA 51 4.862 4.574 -3.075 342 1HB ALA 51 HB1 ALA 51 3.924 6.139 -5.141 343 2HB ALA 51 HB2 ALA 51 4.805 4.621 -5.294 344 3HB ALA 51 HB3 ALA 51 3.040 4.624 -5.328 345 H ILE 52 HN ILE 52 1.635 6.044 -3.015 346 HA ILE 52 HA ILE 52 2.800 8.593 -2.238 347 HB ILE 52 HB ILE 52 0.036 7.637 -2.892 348 1HG1 ILE 52 HG12 ILE 52 0.225 9.756 -4.355 349 2HG1 ILE 52 HG13 ILE 52 1.935 9.735 -3.935 350 1HG2 ILE 52 HG21 ILE 52 -1.058 9.256 -1.822 351 2HG2 ILE 52 HG22 ILE 52 0.373 9.347 -0.800 352 3HG2 ILE 52 HG23 ILE 52 0.184 10.461 -2.162 353 1HD1 ILE 52 HD11 ILE 52 2.157 8.465 -5.751 354 2HD1 ILE 52 HD12 ILE 52 1.526 7.167 -4.735 355 3HD1 ILE 52 HD13 ILE 52 0.441 8.065 -5.800 356 H LEU 53 HN LEU 53 0.959 5.968 -0.796 357 HA LEU 53 HA LEU 53 0.306 5.490 1.322 358 1HB LEU 53 HB2 LEU 53 3.014 6.710 1.640 359 2HB LEU 53 HB3 LEU 53 2.102 6.243 3.061 360 HG LEU 53 HG LEU 53 2.695 4.346 0.805 361 1HD1 LEU 53 HD11 LEU 53 4.828 4.438 1.442 362 2HD1 LEU 53 HD12 LEU 53 4.442 5.360 2.895 363 3HD1 LEU 53 HD13 LEU 53 4.298 3.602 2.903 364 1HD2 LEU 53 HD21 LEU 53 1.698 4.006 3.623 365 2HD2 LEU 53 HD22 LEU 53 0.898 3.545 2.120 366 3HD2 LEU 53 HD23 LEU 53 2.331 2.673 2.659 367 HA PRO 54 HA PRO 54 -1.328 9.749 2.056 368 1HB PRO 54 HB2 PRO 54 -3.961 8.695 1.541 369 2HB PRO 54 HB3 PRO 54 -3.072 9.917 0.632 370 1HG PRO 54 HG2 PRO 54 -3.652 7.426 -0.333 371 2HG PRO 54 HG3 PRO 54 -2.258 8.383 -0.866 372 1HD PRO 54 HD2 PRO 54 -2.370 6.130 1.111 373 2HD PRO 54 HD3 PRO 54 -1.155 6.469 -0.143 374 H MET 55 HN MET 55 -1.605 10.265 4.095 375 HA MET 55 HA MET 55 -2.332 8.397 6.104 376 1HB MET 55 HB2 MET 55 -1.474 11.198 5.976 377 2HB MET 55 HB3 MET 55 -2.601 10.882 7.286 378 1HG MET 55 HG2 MET 55 -0.468 8.899 7.058 379 2HG MET 55 HG3 MET 55 0.090 10.534 7.398 380 1HE MET 55 HE1 MET 55 -1.800 7.583 10.190 381 2HE MET 55 HE2 MET 55 -2.756 7.905 8.741 382 3HE MET 55 HE3 MET 55 -1.081 7.360 8.601 383 H ASN 56 HN ASN 56 -4.036 11.141 4.643 384 HA ASN 56 HA ASN 56 -6.573 9.931 5.453 385 1HB ASN 56 HB2 ASN 56 -5.461 12.290 6.635 386 2HB ASN 56 HB3 ASN 56 -6.893 12.737 5.709 387 1HD2 ASN 56 HD21 ASN 56 -8.531 12.925 7.095 388 2HD2 ASN 56 HD22 ASN 56 -8.922 11.792 8.343 389 H ASP 57 HN ASP 57 -8.336 11.691 4.515 390 HA ASP 57 HA ASP 57 -8.397 11.207 1.784 391 1HB ASP 57 HB2 ASP 57 -10.345 11.822 3.265 392 2HB ASP 57 HB3 ASP 57 -9.838 13.506 3.103 393 H SER 58 HN SER 58 -7.021 13.928 3.506 394 HA SER 58 HA SER 58 -6.850 15.835 1.516 395 1HB SER 58 HB2 SER 58 -4.401 15.820 3.010 396 2HB SER 58 HB3 SER 58 -5.783 16.898 3.181 397 HG SER 58 HG SER 58 -4.988 15.211 4.943 398 H ALA 59 HN ALA 59 -4.482 13.278 2.253 399 HA ALA 59 HA ALA 59 -2.915 13.900 -0.085 400 1HB ALA 59 HB1 ALA 59 -2.742 11.742 1.994 401 2HB ALA 59 HB2 ALA 59 -1.663 11.811 0.601 402 3HB ALA 59 HB3 ALA 59 -1.679 13.131 1.771 403 H PHE 60 HN PHE 60 -5.416 11.653 0.805 404 HA PHE 60 HA PHE 60 -5.128 9.673 -1.095 405 1HB PHE 60 HB2 PHE 60 -7.354 10.698 0.545 406 2HB PHE 60 HB3 PHE 60 -7.834 9.807 -0.896 407 HD1 PHE 60 HD1 PHE 60 -7.873 9.204 2.275 408 HD2 PHE 60 HD2 PHE 60 -5.615 7.877 -1.071 409 HE1 PHE 60 HE1 PHE 60 -7.422 7.074 3.421 410 HE2 PHE 60 HE2 PHE 60 -5.160 5.754 0.067 411 HZ PHE 60 HZ PHE 60 -6.061 5.346 2.304 412 H ALA 61 HN ALA 61 -6.144 12.926 -1.571 413 HA ALA 61 HA ALA 61 -7.643 12.693 -3.928 414 1HB ALA 61 HB1 ALA 61 -5.948 15.058 -3.829 415 2HB ALA 61 HB2 ALA 61 -7.707 14.922 -3.795 416 3HB ALA 61 HB3 ALA 61 -6.784 14.740 -2.307 417 H THR 62 HN THR 62 -4.211 12.416 -3.395 418 HA THR 62 HA THR 62 -3.490 12.879 -6.142 419 HB THR 62 HB THR 62 -1.240 12.106 -5.488 420 HG1 THR 62 HG1 THR 62 -2.427 11.781 -2.908 421 1HG2 THR 62 HG21 THR 62 -1.090 13.912 -3.528 422 2HG2 THR 62 HG22 THR 62 -2.706 14.285 -4.126 423 3HG2 THR 62 HG23 THR 62 -1.324 14.362 -5.219 424 H LEU 63 HN LEU 63 -5.064 10.369 -4.721 425 HA LEU 63 HA LEU 63 -3.710 8.198 -6.068 426 1HB LEU 63 HB2 LEU 63 -6.228 8.393 -4.440 427 2HB LEU 63 HB3 LEU 63 -5.826 6.934 -5.317 428 HG LEU 63 HG LEU 63 -4.638 8.049 -2.846 429 1HD1 LEU 63 HD11 LEU 63 -5.835 5.591 -3.826 430 2HD1 LEU 63 HD12 LEU 63 -4.337 5.310 -2.935 431 3HD1 LEU 63 HD13 LEU 63 -5.660 6.190 -2.176 432 1HD2 LEU 63 HD21 LEU 63 -2.533 6.992 -3.119 433 2HD2 LEU 63 HD22 LEU 63 -3.008 6.285 -4.665 434 3HD2 LEU 63 HD23 LEU 63 -2.769 8.031 -4.522 435 H GLY 64 HN GLY 64 -5.829 10.595 -6.993 436 1HA GLY 64 HA1 GLY 64 -6.566 10.857 -9.214 437 2HA GLY 64 HA2 GLY 64 -6.474 9.115 -9.422 438 H THR 65 HN THR 65 -8.072 11.059 -6.955 439 HA THR 65 HA THR 65 -10.166 11.039 -6.110 440 HB THR 65 HB THR 65 -11.867 10.763 -8.270 441 HG1 THR 65 HG1 THR 65 -9.915 10.801 -9.613 442 1HG2 THR 65 HG21 THR 65 -12.333 12.493 -6.833 443 2HG2 THR 65 HG22 THR 65 -11.646 13.392 -8.184 444 3HG2 THR 65 HG23 THR 65 -10.659 13.032 -6.766 445 H VAL 66 HN VAL 66 -9.837 8.993 -5.071 446 HA VAL 66 HA VAL 66 -10.701 6.567 -6.308 447 HB VAL 66 HB VAL 66 -10.823 5.749 -3.853 448 1HG1 VAL 66 HG11 VAL 66 -8.970 4.883 -4.733 449 2HG1 VAL 66 HG12 VAL 66 -8.508 6.401 -5.507 450 3HG1 VAL 66 HG13 VAL 66 -8.144 6.136 -3.800 451 1HG2 VAL 66 HG21 VAL 66 -9.888 7.051 -2.165 452 2HG2 VAL 66 HG22 VAL 66 -9.166 8.184 -3.303 453 3HG2 VAL 66 HG23 VAL 66 -10.913 8.190 -3.038 454 H GLU 67 HN GLU 67 -12.597 5.384 -5.940 455 HA GLU 67 HA GLU 67 -14.979 6.947 -5.697 456 1HB GLU 67 HB2 GLU 67 -14.297 4.115 -6.221 457 2HB GLU 67 HB3 GLU 67 -15.884 4.414 -5.555 458 1HG GLU 67 HG2 GLU 67 -16.660 5.240 -7.464 459 2HG GLU 67 HG3 GLU 67 -15.188 6.151 -7.796 460 H ASP 68 HN ASP 68 -16.629 6.719 -4.122 461 HA ASP 68 HA ASP 68 -15.774 6.759 -1.456 462 1HB ASP 68 HB2 ASP 68 -17.871 7.836 -2.344 463 2HB ASP 68 HB3 ASP 68 -18.605 6.238 -2.373 464 H LYS 69 HN LYS 69 -17.044 4.165 -3.445 465 HA LYS 69 HA LYS 69 -17.534 2.294 -1.395 466 1HB LYS 69 HB2 LYS 69 -17.317 0.584 -3.190 467 2HB LYS 69 HB3 LYS 69 -18.397 1.908 -3.611 468 1HG LYS 69 HG2 LYS 69 -16.157 2.876 -4.669 469 2HG LYS 69 HG3 LYS 69 -15.769 1.157 -4.753 470 1HD LYS 69 HD2 LYS 69 -18.466 1.573 -5.630 471 2HD LYS 69 HD3 LYS 69 -17.386 2.654 -6.509 472 1HE LYS 69 HE2 LYS 69 -16.157 0.097 -6.320 473 2HE LYS 69 HE3 LYS 69 -17.807 -0.121 -6.897 474 1HZ LYS 69 HZ1 LYS 69 -17.365 1.505 -8.653 475 2HZ LYS 69 HZ2 LYS 69 -16.290 0.196 -8.738 476 3HZ LYS 69 HZ3 LYS 69 -15.762 1.686 -8.111 477 H TYR 70 HN TYR 70 -14.583 3.331 -2.951 478 HA TYR 70 HA TYR 70 -13.031 1.160 -1.769 479 1HB TYR 70 HB2 TYR 70 -12.280 3.503 -3.550 480 2HB TYR 70 HB3 TYR 70 -11.082 2.448 -2.806 481 HD1 TYR 70 HD1 TYR 70 -13.593 2.763 -5.404 482 HD2 TYR 70 HD2 TYR 70 -10.918 0.086 -3.472 483 HE1 TYR 70 HE1 TYR 70 -13.822 1.193 -7.279 484 HE2 TYR 70 HE2 TYR 70 -11.135 -1.490 -5.343 485 HH TYR 70 HH TYR 70 -12.369 -2.016 -7.159 486 H ARG 71 HN ARG 71 -13.755 4.510 -1.411 487 HA ARG 71 HA ARG 71 -11.795 5.255 0.453 488 1HB ARG 71 HB2 ARG 71 -14.312 6.331 -0.595 489 2HB ARG 71 HB3 ARG 71 -13.958 6.833 1.050 490 1HG ARG 71 HG2 ARG 71 -11.612 7.060 -0.559 491 2HG ARG 71 HG3 ARG 71 -12.957 7.912 -1.325 492 1HD ARG 71 HD2 ARG 71 -12.866 8.373 1.534 493 2HD ARG 71 HD3 ARG 71 -11.352 8.833 0.758 494 HE ARG 71 HE ARG 71 -12.442 10.538 -0.343 495 1HH1 ARG 71 HH12 ARG 71 -14.754 8.535 1.362 496 2HH1 ARG 71 HH11 ARG 71 -16.063 9.651 1.155 497 1HH2 ARG 71 HH22 ARG 71 -14.208 11.969 -0.680 498 2HH2 ARG 71 HH21 ARG 71 -15.770 11.598 -0.003 499 H ARG 72 HN ARG 72 -14.987 3.791 0.848 500 HA ARG 72 HA ARG 72 -15.080 4.106 3.630 501 1HB ARG 72 HB2 ARG 72 -17.061 3.927 2.249 502 2HB ARG 72 HB3 ARG 72 -16.577 2.305 1.742 503 1HG ARG 72 HG2 ARG 72 -16.582 2.579 4.579 504 2HG ARG 72 HG3 ARG 72 -18.149 2.979 3.903 505 1HD ARG 72 HD2 ARG 72 -18.500 0.871 3.087 506 2HD ARG 72 HD3 ARG 72 -16.771 0.559 2.909 507 HE ARG 72 HE ARG 72 -17.813 0.770 5.632 508 1HH1 ARG 72 HH12 ARG 72 -16.855 -1.334 2.990 509 2HH1 ARG 72 HH11 ARG 72 -16.510 -2.680 4.035 510 1HH2 ARG 72 HH22 ARG 72 -17.426 -1.023 6.989 511 2HH2 ARG 72 HH21 ARG 72 -16.817 -2.503 6.305 512 H ARG 73 HN ARG 73 -14.120 1.434 1.476 513 HA ARG 73 HA ARG 73 -13.659 -0.287 3.773 514 1HB ARG 73 HB2 ARG 73 -13.818 -1.989 2.331 515 2HB ARG 73 HB3 ARG 73 -14.293 -0.804 1.128 516 1HG ARG 73 HG2 ARG 73 -11.389 -1.263 1.476 517 2HG ARG 73 HG3 ARG 73 -12.331 -2.566 0.749 518 1HD ARG 73 HD2 ARG 73 -12.256 0.290 -0.158 519 2HD ARG 73 HD3 ARG 73 -11.431 -1.060 -0.946 520 HE ARG 73 HE ARG 73 -14.320 -0.515 -0.937 521 1HH1 ARG 73 HH12 ARG 73 -11.652 -2.531 -2.036 522 2HH1 ARG 73 HH11 ARG 73 -12.616 -3.376 -3.199 523 1HH2 ARG 73 HH22 ARG 73 -15.581 -1.646 -2.485 524 2HH2 ARG 73 HH21 ARG 73 -14.817 -2.848 -3.490 525 H PHE 74 HN PHE 74 -12.111 2.213 2.492 526 HA PHE 74 HA PHE 74 -9.398 1.466 2.294 527 1HB PHE 74 HB2 PHE 74 -10.918 3.882 2.254 528 2HB PHE 74 HB3 PHE 74 -9.579 4.107 3.373 529 HD1 PHE 74 HD1 PHE 74 -10.268 5.234 0.445 530 HD2 PHE 74 HD2 PHE 74 -7.563 2.365 2.042 531 HE1 PHE 74 HE1 PHE 74 -8.767 5.587 -1.479 532 HE2 PHE 74 HE2 PHE 74 -6.055 2.715 0.138 533 HZ PHE 74 HZ PHE 74 -6.641 4.327 -1.625 534 H LYS 75 HN LYS 75 -11.402 2.329 5.024 535 HA LYS 75 HA LYS 75 -9.521 2.804 6.993 536 1HB LYS 75 HB2 LYS 75 -11.376 1.855 8.535 537 2HB LYS 75 HB3 LYS 75 -11.694 3.297 7.583 538 1HG LYS 75 HG2 LYS 75 -13.476 2.319 6.723 539 2HG LYS 75 HG3 LYS 75 -12.440 1.098 5.973 540 1HD LYS 75 HD2 LYS 75 -13.608 -0.352 7.245 541 2HD LYS 75 HD3 LYS 75 -12.588 0.218 8.568 542 1HE LYS 75 HE2 LYS 75 -14.416 2.086 8.761 543 2HE LYS 75 HE3 LYS 75 -15.408 0.898 7.908 544 1HZ LYS 75 HZ1 LYS 75 -15.406 -0.513 9.667 545 2HZ LYS 75 HZ2 LYS 75 -15.255 0.937 10.522 546 3HZ LYS 75 HZ3 LYS 75 -13.886 -0.027 10.224 547 H TYR 76 HN TYR 76 -10.329 -0.259 5.547 548 HA TYR 76 HA TYR 76 -9.395 -1.881 7.725 549 1HB TYR 76 HB2 TYR 76 -9.812 -2.552 4.805 550 2HB TYR 76 HB3 TYR 76 -9.406 -3.725 6.043 551 HD1 TYR 76 HD1 TYR 76 -12.033 -2.363 4.209 552 HD2 TYR 76 HD2 TYR 76 -11.061 -3.632 8.148 553 HE1 TYR 76 HE1 TYR 76 -14.426 -2.654 4.701 554 HE2 TYR 76 HE2 TYR 76 -13.445 -3.934 8.654 555 HH TYR 76 HH TYR 76 -15.909 -2.687 6.705 556 H PHE 77 HN PHE 77 -7.843 0.073 5.507 557 HA PHE 77 HA PHE 77 -5.334 -1.476 5.664 558 1HB PHE 77 HB2 PHE 77 -6.487 0.352 3.614 559 2HB PHE 77 HB3 PHE 77 -4.742 0.371 3.829 560 HD1 PHE 77 HD1 PHE 77 -6.953 -0.722 1.648 561 HD2 PHE 77 HD2 PHE 77 -4.048 -2.409 4.261 562 HE1 PHE 77 HE1 PHE 77 -6.745 -2.667 0.156 563 HE2 PHE 77 HE2 PHE 77 -3.843 -4.363 2.780 564 HZ PHE 77 HZ PHE 77 -5.179 -4.484 0.706 565 H LYS 78 HN LYS 78 -6.971 1.206 6.820 566 HA LYS 78 HA LYS 78 -5.238 3.286 6.993 567 1HB LYS 78 HB2 LYS 78 -7.649 2.672 8.118 568 2HB LYS 78 HB3 LYS 78 -6.614 2.808 9.531 569 1HG LYS 78 HG2 LYS 78 -7.278 4.976 9.353 570 2HG LYS 78 HG3 LYS 78 -5.863 5.033 8.300 571 1HD LYS 78 HD2 LYS 78 -7.503 4.467 6.410 572 2HD LYS 78 HD3 LYS 78 -8.766 4.939 7.553 573 1HE LYS 78 HE2 LYS 78 -6.459 6.651 6.631 574 2HE LYS 78 HE3 LYS 78 -8.140 6.812 6.127 575 1HZ LYS 78 HZ1 LYS 78 -8.284 8.262 7.788 576 2HZ LYS 78 HZ2 LYS 78 -6.849 7.745 8.526 577 3HZ LYS 78 HZ3 LYS 78 -8.305 6.923 8.820 578 H ALA 79 HN ALA 79 -5.104 0.391 9.057 579 HA ALA 79 HA ALA 79 -3.084 1.541 10.764 580 1HB ALA 79 HB1 ALA 79 -4.567 -0.983 10.601 581 2HB ALA 79 HB2 ALA 79 -2.919 -1.143 11.206 582 3HB ALA 79 HB3 ALA 79 -4.051 -0.058 12.013 583 H THR 80 HN THR 80 -3.166 -0.500 7.942 584 HA THR 80 HA THR 80 -0.426 -1.260 8.003 585 HB THR 80 HB THR 80 -1.754 -1.266 5.379 586 HG1 THR 80 HG1 THR 80 -2.893 -2.846 7.460 587 1HG2 THR 80 HG21 THR 80 -0.804 -3.350 5.209 588 2HG2 THR 80 HG22 THR 80 -1.053 -3.721 6.915 589 3HG2 THR 80 HG23 THR 80 0.259 -2.649 6.429 590 H ILE 81 HN ILE 81 -2.288 1.177 6.193 591 HA ILE 81 HA ILE 81 -0.178 2.174 4.627 592 HB ILE 81 HB ILE 81 -2.525 3.798 5.670 593 1HG1 ILE 81 HG12 ILE 81 -2.447 2.320 3.053 594 2HG1 ILE 81 HG13 ILE 81 -3.040 1.537 4.516 595 1HG2 ILE 81 HG21 ILE 81 -1.682 5.436 4.442 596 2HG2 ILE 81 HG22 ILE 81 -0.349 4.407 3.918 597 3HG2 ILE 81 HG23 ILE 81 -1.858 4.433 2.998 598 1HD1 ILE 81 HD11 ILE 81 -4.147 4.079 3.340 599 2HD1 ILE 81 HD12 ILE 81 -4.840 2.466 3.146 600 3HD1 ILE 81 HD13 ILE 81 -4.764 3.205 4.743 601 H ALA 82 HN ALA 82 -1.170 2.865 7.917 602 HA ALA 82 HA ALA 82 0.574 5.116 8.261 603 1HB ALA 82 HB1 ALA 82 -1.551 4.642 9.564 604 2HB ALA 82 HB2 ALA 82 -0.599 3.483 10.489 605 3HB ALA 82 HB3 ALA 82 -0.152 5.192 10.486 606 H ASP 83 HN ASP 83 0.764 1.663 8.957 607 HA ASP 83 HA ASP 83 3.186 1.783 10.461 608 1HB ASP 83 HB2 ASP 83 1.885 -0.171 10.793 609 2HB ASP 83 HB3 ASP 83 1.694 -0.429 9.062 610 H LEU 84 HN LEU 84 2.453 1.227 7.039 611 HA LEU 84 HA LEU 84 5.175 0.693 6.359 612 1HB LEU 84 HB2 LEU 84 2.822 1.379 4.626 613 2HB LEU 84 HB3 LEU 84 4.381 0.826 4.041 614 HG LEU 84 HG LEU 84 2.872 -0.857 6.002 615 1HD1 LEU 84 HD11 LEU 84 2.025 -0.187 3.295 616 2HD1 LEU 84 HD12 LEU 84 2.220 -1.919 3.560 617 3HD1 LEU 84 HD13 LEU 84 1.142 -0.983 4.595 618 1HD2 LEU 84 HD21 LEU 84 4.072 -2.385 4.010 619 2HD2 LEU 84 HD22 LEU 84 5.210 -1.075 4.317 620 3HD2 LEU 84 HD23 LEU 84 4.678 -2.109 5.644 621 H SER 85 HN SER 85 3.224 3.633 6.442 622 HA SER 85 HA SER 85 5.000 5.150 4.804 623 1HB SER 85 HB2 SER 85 3.810 7.126 5.974 624 2HB SER 85 HB3 SER 85 2.851 6.067 4.941 625 HG SER 85 HG SER 85 1.782 5.369 6.628 626 H LYS 86 HN LYS 86 4.940 4.311 8.181 627 HA LYS 86 HA LYS 86 6.863 6.360 8.913 628 1HB LYS 86 HB2 LYS 86 5.085 4.519 10.311 629 2HB LYS 86 HB3 LYS 86 6.680 4.599 11.046 630 1HG LYS 86 HG2 LYS 86 6.469 7.007 11.268 631 2HG LYS 86 HG3 LYS 86 4.893 6.950 10.477 632 1HD LYS 86 HD2 LYS 86 3.848 6.102 12.299 633 2HD LYS 86 HD3 LYS 86 5.261 5.176 12.814 634 1HE LYS 86 HE2 LYS 86 5.826 7.981 12.989 635 2HE LYS 86 HE3 LYS 86 4.315 7.634 13.835 636 1HZ LYS 86 HZ1 LYS 86 6.532 5.803 14.335 637 2HZ LYS 86 HZ2 LYS 86 5.381 6.434 15.410 638 3HZ LYS 86 HZ3 LYS 86 6.707 7.375 14.946 639 H LYS 87 HN LYS 87 6.926 3.016 7.944 640 HA LYS 87 HA LYS 87 9.693 2.834 8.890 641 1HB LYS 87 HB2 LYS 87 7.942 0.565 7.984 642 2HB LYS 87 HB3 LYS 87 9.497 0.455 8.802 643 1HG LYS 87 HG2 LYS 87 7.488 2.022 10.241 644 2HG LYS 87 HG3 LYS 87 7.072 0.325 10.013 645 1HD LYS 87 HD2 LYS 87 8.370 0.912 12.134 646 2HD LYS 87 HD3 LYS 87 8.979 -0.425 11.160 647 1HE LYS 87 HE2 LYS 87 10.937 0.589 10.947 648 2HE LYS 87 HE3 LYS 87 10.156 1.999 10.239 649 1HZ LYS 87 HZ1 LYS 87 10.368 1.550 13.172 650 2HZ LYS 87 HZ2 LYS 87 9.869 2.963 12.379 651 3HZ LYS 87 HZ3 LYS 87 11.486 2.459 12.275 652 H ARG 88 HN ARG 88 7.887 3.075 5.965 653 HA ARG 88 HA ARG 88 9.791 1.794 4.267 654 1HB ARG 88 HB2 ARG 88 8.412 2.310 2.544 655 2HB ARG 88 HB3 ARG 88 7.266 2.582 3.843 656 1HG ARG 88 HG2 ARG 88 7.186 4.808 3.491 657 2HG ARG 88 HG3 ARG 88 8.897 4.908 3.055 658 1HD ARG 88 HD2 ARG 88 7.970 3.478 0.983 659 2HD ARG 88 HD3 ARG 88 6.522 4.402 1.374 660 HE ARG 88 HE ARG 88 9.052 5.834 1.007 661 1HH1 ARG 88 HH12 ARG 88 5.833 5.042 -0.122 662 2HH1 ARG 88 HH11 ARG 88 5.793 6.314 -1.304 663 1HH2 ARG 88 HH22 ARG 88 9.030 7.455 -0.571 664 2HH2 ARG 88 HH21 ARG 88 7.635 7.684 -1.576 665 H SER 89 HN SER 89 9.742 4.699 5.946 666 HA SER 89 HA SER 89 11.448 6.235 4.228 667 1HB SER 89 HB2 SER 89 11.544 7.213 6.894 668 2HB SER 89 HB3 SER 89 10.586 7.850 5.548 669 HG SER 89 HG SER 89 9.456 7.081 7.569 670 H SER 90 HN SER 90 12.015 3.494 5.797 671 HA SER 90 HA SER 90 13.838 2.369 6.519 672 1HB SER 90 HB2 SER 90 15.610 4.621 5.605 673 2HB SER 90 HB3 SER 90 15.918 2.881 5.569 674 HG SER 90 HG SER 90 13.770 3.870 4.085 675 H GLU 91 HN GLU 91 12.494 4.205 8.296 676 HA GLU 91 HA GLU 91 14.712 4.859 10.112 677 1HB GLU 91 HB2 GLU 91 12.393 6.391 9.270 678 2HB GLU 91 HB3 GLU 91 12.436 6.206 11.020 679 1HG GLU 91 HG2 GLU 91 14.197 7.571 11.242 680 2HG GLU 91 HG3 GLU 91 15.001 6.933 9.808 Start of MODEL 12 1 H GLU 11 HN GLU 11 20.238 -1.175 1.241 2 HA GLU 11 HA GLU 11 17.607 -0.222 1.854 3 1HB GLU 11 HB2 GLU 11 19.860 1.029 1.086 4 2HB GLU 11 HB3 GLU 11 19.060 0.894 -0.475 5 1HG GLU 11 HG2 GLU 11 17.334 1.845 1.685 6 2HG GLU 11 HG3 GLU 11 18.691 2.910 1.320 7 H LEU 12 HN LEU 12 16.894 -2.476 1.107 8 HA LEU 12 HA LEU 12 16.661 -2.963 -1.689 9 1HB LEU 12 HB2 LEU 12 15.158 -4.182 0.636 10 2HB LEU 12 HB3 LEU 12 15.223 -4.827 -0.995 11 HG LEU 12 HG LEU 12 17.850 -4.422 0.292 12 1HD1 LEU 12 HD11 LEU 12 15.794 -5.728 1.756 13 2HD1 LEU 12 HD12 LEU 12 16.942 -6.945 1.200 14 3HD1 LEU 12 HD13 LEU 12 17.506 -5.572 2.159 15 1HD2 LEU 12 HD21 LEU 12 16.834 -6.943 -0.933 16 2HD2 LEU 12 HD22 LEU 12 17.173 -5.548 -1.961 17 3HD2 LEU 12 HD23 LEU 12 18.453 -6.245 -0.970 18 H ASN 13 HN ASN 13 14.486 -3.288 -2.711 19 HA ASN 13 HA ASN 13 13.127 -0.866 -2.889 20 1HB ASN 13 HB2 ASN 13 13.195 -3.118 -4.374 21 2HB ASN 13 HB3 ASN 13 11.612 -3.296 -3.628 22 1HD2 ASN 13 HD21 ASN 13 13.203 -2.103 -6.230 23 2HD2 ASN 13 HD22 ASN 13 12.037 -0.938 -6.771 24 H ASN 14 HN ASN 14 12.446 -0.120 -0.924 25 HA ASN 14 HA ASN 14 10.793 -1.589 0.869 26 1HB ASN 14 HB2 ASN 14 11.933 0.159 1.918 27 2HB ASN 14 HB3 ASN 14 11.587 1.297 0.622 28 1HD2 ASN 14 HD21 ASN 14 10.336 -0.278 3.461 29 2HD2 ASN 14 HD22 ASN 14 8.996 0.786 3.699 30 H LEU 15 HN LEU 15 10.199 0.580 -1.812 31 HA LEU 15 HA LEU 15 7.462 1.037 -1.390 32 1HB LEU 15 HB2 LEU 15 9.270 1.899 -3.204 33 2HB LEU 15 HB3 LEU 15 8.394 0.742 -4.188 34 HG LEU 15 HG LEU 15 6.846 2.781 -2.648 35 1HD1 LEU 15 HD11 LEU 15 8.672 3.302 -4.939 36 2HD1 LEU 15 HD12 LEU 15 7.100 4.098 -4.938 37 3HD1 LEU 15 HD13 LEU 15 8.220 4.347 -3.594 38 1HD2 LEU 15 HD21 LEU 15 6.518 1.176 -5.166 39 2HD2 LEU 15 HD22 LEU 15 5.471 1.249 -3.748 40 3HD2 LEU 15 HD23 LEU 15 5.535 2.610 -4.865 41 H ARG 16 HN ARG 16 9.222 -1.611 -2.864 42 HA ARG 16 HA ARG 16 6.957 -2.971 -3.918 43 1HB ARG 16 HB2 ARG 16 9.293 -3.367 -4.675 44 2HB ARG 16 HB3 ARG 16 9.649 -4.100 -3.120 45 1HG ARG 16 HG2 ARG 16 9.151 -6.023 -4.145 46 2HG ARG 16 HG3 ARG 16 7.475 -5.532 -3.884 47 1HD ARG 16 HD2 ARG 16 7.119 -5.367 -6.072 48 2HD ARG 16 HD3 ARG 16 8.501 -4.287 -6.263 49 HE ARG 16 HE ARG 16 9.827 -6.105 -6.863 50 1HH1 ARG 16 HH12 ARG 16 6.609 -7.142 -5.943 51 2HH1 ARG 16 HH11 ARG 16 6.799 -8.736 -6.592 52 1HH2 ARG 16 HH22 ARG 16 10.062 -8.192 -7.749 53 2HH2 ARG 16 HH21 ARG 16 8.746 -9.326 -7.643 54 H MET 17 HN MET 17 8.725 -3.001 -0.901 55 HA MET 17 HA MET 17 7.482 -5.206 0.335 56 1HB MET 17 HB2 MET 17 9.550 -4.130 1.157 57 2HB MET 17 HB3 MET 17 8.627 -2.697 1.588 58 1HG MET 17 HG2 MET 17 7.255 -4.536 2.957 59 2HG MET 17 HG3 MET 17 8.847 -5.297 2.955 60 1HE MET 17 HE1 MET 17 8.472 -4.021 6.432 61 2HE MET 17 HE2 MET 17 7.044 -3.208 5.788 62 3HE MET 17 HE3 MET 17 7.427 -4.857 5.289 63 H THR 18 HN THR 18 6.719 -1.747 0.293 64 HA THR 18 HA THR 18 4.466 -1.852 2.018 65 HB THR 18 HB THR 18 5.000 0.165 -0.186 66 HG1 THR 18 HG1 THR 18 6.733 -0.294 1.473 67 1HG2 THR 18 HG21 THR 18 3.039 -0.034 1.969 68 2HG2 THR 18 HG22 THR 18 3.066 1.024 0.557 69 3HG2 THR 18 HG23 THR 18 3.954 1.472 2.013 70 H TYR 19 HN TYR 19 4.808 -1.935 -1.494 71 HA TYR 19 HA TYR 19 2.060 -1.989 -2.114 72 1HB TYR 19 HB2 TYR 19 3.393 -1.339 -3.882 73 2HB TYR 19 HB3 TYR 19 4.618 -2.549 -3.535 74 HD1 TYR 19 HD1 TYR 19 1.169 -2.155 -4.927 75 HD2 TYR 19 HD2 TYR 19 4.714 -4.516 -4.778 76 HE1 TYR 19 HE1 TYR 19 0.321 -3.545 -6.783 77 HE2 TYR 19 HE2 TYR 19 3.871 -5.906 -6.620 78 HH TYR 19 HH TYR 19 0.699 -5.287 -8.119 79 H GLU 20 HN GLU 20 4.448 -4.560 -1.606 80 HA GLU 20 HA GLU 20 2.594 -6.639 -2.260 81 1HB GLU 20 HB2 GLU 20 5.381 -6.569 -1.205 82 2HB GLU 20 HB3 GLU 20 4.454 -8.048 -1.049 83 1HG GLU 20 HG2 GLU 20 4.947 -6.596 -3.634 84 2HG GLU 20 HG3 GLU 20 5.879 -7.975 -3.064 85 H ARG 21 HN ARG 21 3.532 -5.008 0.702 86 HA ARG 21 HA ARG 21 2.397 -6.937 2.465 87 1HB ARG 21 HB2 ARG 21 4.004 -4.864 2.903 88 2HB ARG 21 HB3 ARG 21 2.480 -4.049 3.215 89 1HG ARG 21 HG2 ARG 21 3.218 -4.779 5.296 90 2HG ARG 21 HG3 ARG 21 1.975 -5.942 4.831 91 1HD ARG 21 HD2 ARG 21 4.317 -6.993 3.782 92 2HD ARG 21 HD3 ARG 21 4.794 -6.342 5.352 93 HE ARG 21 HE ARG 21 3.154 -7.755 6.386 94 1HH1 ARG 21 HH12 ARG 21 3.835 -8.467 3.022 95 2HH1 ARG 21 HH11 ARG 21 3.191 -10.084 3.102 96 1HH2 ARG 21 HH22 ARG 21 2.317 -9.908 6.496 97 2HH2 ARG 21 HH21 ARG 21 2.289 -10.885 5.049 98 H LEU 22 HN LEU 22 1.203 -4.217 0.651 99 HA LEU 22 HA LEU 22 -1.366 -4.071 1.922 100 1HB LEU 22 HB2 LEU 22 -0.068 -2.940 -0.511 101 2HB LEU 22 HB3 LEU 22 -1.814 -2.920 -0.427 102 HG LEU 22 HG LEU 22 -0.337 -1.833 1.907 103 1HD1 LEU 22 HD11 LEU 22 0.970 -0.726 0.345 104 2HD1 LEU 22 HD12 LEU 22 -0.330 -0.645 -0.840 105 3HD1 LEU 22 HD13 LEU 22 -0.362 0.402 0.586 106 1HD2 LEU 22 HD21 LEU 22 -2.288 -0.101 1.309 107 2HD2 LEU 22 HD22 LEU 22 -2.943 -1.553 0.545 108 3HD2 LEU 22 HD23 LEU 22 -2.551 -1.558 2.266 109 H ARG 23 HN ARG 23 0.048 -5.729 -0.813 110 HA ARG 23 HA ARG 23 -2.356 -6.675 -1.972 111 1HB ARG 23 HB2 ARG 23 0.244 -6.595 -2.767 112 2HB ARG 23 HB3 ARG 23 0.097 -8.288 -2.330 113 1HG ARG 23 HG2 ARG 23 -1.232 -8.761 -4.077 114 2HG ARG 23 HG3 ARG 23 -2.069 -7.211 -3.992 115 1HD ARG 23 HD2 ARG 23 -0.869 -7.182 -6.012 116 2HD ARG 23 HD3 ARG 23 0.039 -6.154 -4.908 117 HE ARG 23 HE ARG 23 1.549 -8.115 -4.594 118 1HH1 ARG 23 HH12 ARG 23 -0.412 -7.762 -7.472 119 2HH1 ARG 23 HH11 ARG 23 0.587 -8.808 -8.442 120 1HH2 ARG 23 HH22 ARG 23 2.883 -9.476 -5.852 121 2HH2 ARG 23 HH21 ARG 23 2.471 -9.785 -7.512 122 H GLU 24 HN GLU 24 -0.058 -8.043 0.357 123 HA GLU 24 HA GLU 24 -1.335 -10.570 0.546 124 1HB GLU 24 HB2 GLU 24 1.047 -9.750 1.330 125 2HB GLU 24 HB3 GLU 24 0.199 -9.403 2.830 126 1HG GLU 24 HG2 GLU 24 -0.413 -11.682 3.108 127 2HG GLU 24 HG3 GLU 24 0.153 -12.094 1.491 128 H LEU 25 HN LEU 25 -1.625 -7.531 2.262 129 HA LEU 25 HA LEU 25 -3.412 -8.459 4.261 130 1HB LEU 25 HB2 LEU 25 -2.017 -6.147 3.803 131 2HB LEU 25 HB3 LEU 25 -3.650 -5.643 3.429 132 HG LEU 25 HG LEU 25 -2.387 -6.113 6.000 133 1HD1 LEU 25 HD11 LEU 25 -3.367 -4.000 5.332 134 2HD1 LEU 25 HD12 LEU 25 -4.949 -4.770 5.203 135 3HD1 LEU 25 HD13 LEU 25 -4.156 -4.643 6.774 136 1HD2 LEU 25 HD21 LEU 25 -4.640 -7.822 5.292 137 2HD2 LEU 25 HD22 LEU 25 -3.553 -7.897 6.678 138 3HD2 LEU 25 HD23 LEU 25 -4.948 -6.818 6.707 139 H SER 26 HN SER 26 -3.757 -7.196 1.021 140 HA SER 26 HA SER 26 -6.559 -6.797 1.061 141 1HB SER 26 HB2 SER 26 -4.371 -6.694 -0.865 142 2HB SER 26 HB3 SER 26 -5.842 -7.330 -1.576 143 HG SER 26 HG SER 26 -5.283 -4.806 -0.606 144 H LEU 27 HN LEU 27 -4.520 -9.556 0.301 145 HA LEU 27 HA LEU 27 -6.588 -11.140 -0.817 146 1HB LEU 27 HB2 LEU 27 -3.783 -11.419 -0.223 147 2HB LEU 27 HB3 LEU 27 -4.660 -12.857 0.256 148 HG LEU 27 HG LEU 27 -5.433 -13.239 -1.965 149 1HD1 LEU 27 HD11 LEU 27 -4.814 -10.390 -2.275 150 2HD1 LEU 27 HD12 LEU 27 -4.317 -11.395 -3.639 151 3HD1 LEU 27 HD13 LEU 27 -5.999 -11.394 -3.115 152 1HD2 LEU 27 HD21 LEU 27 -2.537 -12.432 -1.859 153 2HD2 LEU 27 HD22 LEU 27 -3.224 -14.047 -1.675 154 3HD2 LEU 27 HD23 LEU 27 -3.263 -13.247 -3.244 155 H ASN 28 HN ASN 28 -5.441 -10.594 2.446 156 HA ASN 28 HA ASN 28 -7.012 -12.793 3.512 157 1HB ASN 28 HB2 ASN 28 -4.744 -11.533 4.371 158 2HB ASN 28 HB3 ASN 28 -5.968 -10.841 5.433 159 1HD2 ASN 28 HD21 ASN 28 -3.974 -13.471 4.809 160 2HD2 ASN 28 HD22 ASN 28 -4.620 -14.567 5.983 161 H LEU 29 HN LEU 29 -6.985 -9.261 3.940 162 HA LEU 29 HA LEU 29 -9.283 -9.064 5.500 163 1HB LEU 29 HB2 LEU 29 -7.907 -7.162 3.652 164 2HB LEU 29 HB3 LEU 29 -9.413 -6.717 4.429 165 HG LEU 29 HG LEU 29 -6.874 -7.488 5.874 166 1HD1 LEU 29 HD11 LEU 29 -6.662 -5.373 4.734 167 2HD1 LEU 29 HD12 LEU 29 -8.183 -4.818 5.437 168 3HD1 LEU 29 HD13 LEU 29 -6.793 -5.123 6.478 169 1HD2 LEU 29 HD21 LEU 29 -8.063 -7.616 7.742 170 2HD2 LEU 29 HD22 LEU 29 -8.836 -6.062 7.421 171 3HD2 LEU 29 HD23 LEU 29 -9.528 -7.545 6.763 172 H GLY 30 HN GLY 30 -8.961 -9.131 1.987 173 1HA GLY 30 HA1 GLY 30 -11.541 -8.322 1.295 174 2HA GLY 30 HA2 GLY 30 -10.529 -9.375 0.324 175 H ASN 31 HN ASN 31 -10.361 -11.448 2.328 176 HA ASN 31 HA ASN 31 -12.926 -12.735 1.837 177 1HB ASN 31 HB2 ASN 31 -10.448 -13.724 1.644 178 2HB ASN 31 HB3 ASN 31 -10.735 -14.081 3.349 179 1HD2 ASN 31 HD21 ASN 31 -10.577 -16.299 2.748 180 2HD2 ASN 31 HD22 ASN 31 -11.954 -17.106 2.071 181 H ARG 32 HN ARG 32 -11.348 -11.015 4.287 182 HA ARG 32 HA ARG 32 -12.785 -12.282 6.480 183 1HB ARG 32 HB2 ARG 32 -10.420 -11.601 6.746 184 2HB ARG 32 HB3 ARG 32 -10.884 -9.929 6.462 185 1HG ARG 32 HG2 ARG 32 -10.824 -9.906 8.725 186 2HG ARG 32 HG3 ARG 32 -12.499 -10.422 8.503 187 1HD ARG 32 HD2 ARG 32 -11.223 -12.808 8.460 188 2HD ARG 32 HD3 ARG 32 -10.173 -11.892 9.544 189 HE ARG 32 HE ARG 32 -13.087 -12.076 10.007 190 1HH1 ARG 32 HH12 ARG 32 -9.778 -12.489 11.120 191 2HH1 ARG 32 HH11 ARG 32 -10.248 -12.764 12.772 192 1HH2 ARG 32 HH22 ARG 32 -13.683 -12.451 12.178 193 2HH2 ARG 32 HH21 ARG 32 -12.451 -12.751 13.371 194 H MET 33 HN MET 33 -13.468 -10.009 4.190 195 HA MET 33 HA MET 33 -14.748 -7.992 5.706 196 1HB MET 33 HB2 MET 33 -14.154 -7.408 3.510 197 2HB MET 33 HB3 MET 33 -14.917 -8.835 2.824 198 1HG MET 33 HG2 MET 33 -16.660 -7.553 2.360 199 2HG MET 33 HG3 MET 33 -16.992 -7.502 4.088 200 1HE MET 33 HE1 MET 33 -17.883 -4.049 3.278 201 2HE MET 33 HE2 MET 33 -18.305 -5.679 3.806 202 3HE MET 33 HE3 MET 33 -17.492 -4.571 4.916 203 H VAL 34 HN VAL 34 -16.072 -10.730 3.896 204 HA VAL 34 HA VAL 34 -17.984 -11.906 4.016 205 HB VAL 34 HB VAL 34 -17.615 -11.036 6.848 206 1HG1 VAL 34 HG11 VAL 34 -19.401 -13.130 6.990 207 2HG1 VAL 34 HG12 VAL 34 -19.800 -11.430 7.225 208 3HG1 VAL 34 HG13 VAL 34 -20.035 -12.176 5.645 209 1HG2 VAL 34 HG21 VAL 34 -17.617 -13.836 6.500 210 2HG2 VAL 34 HG22 VAL 34 -16.655 -13.137 5.197 211 3HG2 VAL 34 HG23 VAL 34 -16.257 -12.776 6.873 212 HA PRO 35 HA PRO 35 -19.358 -12.204 2.631 213 1HB PRO 35 HB2 PRO 35 -20.123 -10.537 0.359 214 2HB PRO 35 HB3 PRO 35 -20.852 -12.032 0.945 215 1HG PRO 35 HG2 PRO 35 -22.063 -9.612 1.147 216 2HG PRO 35 HG3 PRO 35 -22.326 -10.932 2.304 217 1HD PRO 35 HD2 PRO 35 -20.629 -8.485 2.547 218 2HD PRO 35 HD3 PRO 35 -21.621 -9.295 3.777 219 HA PRO 36 HA PRO 36 -15.222 -11.284 1.398 220 1HB PRO 36 HB2 PRO 36 -15.794 -13.184 -0.834 221 2HB PRO 36 HB3 PRO 36 -14.463 -13.181 0.331 222 1HG PRO 36 HG2 PRO 36 -16.468 -14.907 0.578 223 2HG PRO 36 HG3 PRO 36 -15.769 -14.128 2.011 224 1HD PRO 36 HD2 PRO 36 -18.334 -13.535 0.585 225 2HD PRO 36 HD3 PRO 36 -17.981 -13.514 2.328 226 H VAL 37 HN VAL 37 -14.417 -9.680 0.227 227 HA VAL 37 HA VAL 37 -15.990 -8.375 -1.776 228 HB VAL 37 HB VAL 37 -13.065 -7.819 -1.344 229 1HG1 VAL 37 HG11 VAL 37 -13.493 -6.017 -2.569 230 2HG1 VAL 37 HG12 VAL 37 -15.152 -6.573 -2.784 231 3HG1 VAL 37 HG13 VAL 37 -14.742 -5.505 -1.437 232 1HG2 VAL 37 HG21 VAL 37 -13.648 -7.852 0.879 233 2HG2 VAL 37 HG22 VAL 37 -13.953 -6.165 0.454 234 3HG2 VAL 37 HG23 VAL 37 -15.294 -7.302 0.566 235 H GLY 38 HN GLY 38 -13.412 -10.705 -1.807 236 1HA GLY 38 HA1 GLY 38 -12.783 -12.026 -3.652 237 2HA GLY 38 HA2 GLY 38 -13.685 -10.931 -4.692 238 H ASN 39 HN ASN 39 -12.738 -8.561 -4.268 239 HA ASN 39 HA ASN 39 -9.819 -8.631 -4.522 240 1HB ASN 39 HB2 ASN 39 -11.177 -8.459 -6.779 241 2HB ASN 39 HB3 ASN 39 -11.409 -6.791 -6.271 242 1HD2 ASN 39 HD21 ASN 39 -10.115 -5.634 -7.549 243 2HD2 ASN 39 HD22 ASN 39 -8.417 -5.919 -7.772 244 H PHE 40 HN PHE 40 -9.726 -7.877 -2.431 245 HA PHE 40 HA PHE 40 -11.109 -5.821 -1.224 246 1HB PHE 40 HB2 PHE 40 -9.336 -7.401 -0.249 247 2HB PHE 40 HB3 PHE 40 -8.143 -6.263 -0.857 248 HD1 PHE 40 HD1 PHE 40 -7.184 -5.220 0.986 249 HD2 PHE 40 HD2 PHE 40 -11.410 -5.716 0.852 250 HE1 PHE 40 HE1 PHE 40 -7.410 -3.896 3.048 251 HE2 PHE 40 HE2 PHE 40 -11.643 -4.397 2.911 252 HZ PHE 40 HZ PHE 40 -9.548 -3.523 4.042 253 H MET 41 HN MET 41 -7.752 -5.255 -2.236 254 HA MET 41 HA MET 41 -8.632 -2.682 -3.355 255 1HB MET 41 HB2 MET 41 -7.036 -2.846 -1.226 256 2HB MET 41 HB3 MET 41 -5.808 -3.083 -2.457 257 1HG MET 41 HG2 MET 41 -6.073 -0.751 -1.694 258 2HG MET 41 HG3 MET 41 -6.273 -0.975 -3.434 259 1HE MET 41 HE1 MET 41 -7.680 -0.439 -0.086 260 2HE MET 41 HE2 MET 41 -8.068 1.205 -0.602 261 3HE MET 41 HE3 MET 41 -9.361 0.047 -0.269 262 HA PRO 42 HA PRO 42 -7.179 -4.495 -7.140 263 1HB PRO 42 HB2 PRO 42 -7.099 -1.719 -8.128 264 2HB PRO 42 HB3 PRO 42 -8.027 -3.099 -8.728 265 1HG PRO 42 HG2 PRO 42 -9.221 -1.088 -7.416 266 2HG PRO 42 HG3 PRO 42 -9.751 -2.765 -7.215 267 1HD PRO 42 HD2 PRO 42 -8.049 -1.096 -5.403 268 2HD PRO 42 HD3 PRO 42 -9.355 -2.226 -4.992 269 H ASP 43 HN ASP 43 -5.306 -4.675 -8.276 270 HA ASP 43 HA ASP 43 -2.889 -4.205 -7.037 271 1HB ASP 43 HB2 ASP 43 -3.669 -5.571 -9.253 272 2HB ASP 43 HB3 ASP 43 -2.809 -4.223 -9.998 273 H SER 44 HN SER 44 -4.603 -2.178 -9.324 274 HA SER 44 HA SER 44 -2.591 -0.338 -9.926 275 1HB SER 44 HB2 SER 44 -5.077 0.997 -9.995 276 2HB SER 44 HB3 SER 44 -4.222 0.242 -11.344 277 HG SER 44 HG SER 44 -5.806 -1.136 -11.379 278 H ILE 45 HN ILE 45 -5.241 -0.102 -7.555 279 HA ILE 45 HA ILE 45 -4.419 2.375 -6.479 280 HB ILE 45 HB ILE 45 -6.025 0.234 -5.073 281 1HG1 ILE 45 HG12 ILE 45 -7.027 0.722 -7.253 282 2HG1 ILE 45 HG13 ILE 45 -8.014 1.422 -5.970 283 1HG2 ILE 45 HG21 ILE 45 -5.041 2.646 -4.132 284 2HG2 ILE 45 HG22 ILE 45 -6.716 3.002 -4.549 285 3HG2 ILE 45 HG23 ILE 45 -6.346 1.698 -3.419 286 1HD1 ILE 45 HD11 ILE 45 -6.783 2.687 -8.219 287 2HD1 ILE 45 HD12 ILE 45 -7.928 3.346 -7.048 288 3HD1 ILE 45 HD13 ILE 45 -6.200 3.419 -6.722 289 H LEU 46 HN LEU 46 -3.614 -0.946 -5.677 290 HA LEU 46 HA LEU 46 -2.360 -0.490 -3.206 291 1HB LEU 46 HB2 LEU 46 -1.810 -2.611 -5.280 292 2HB LEU 46 HB3 LEU 46 -1.150 -2.626 -3.659 293 HG LEU 46 HG LEU 46 -4.115 -2.676 -4.227 294 1HD1 LEU 46 HD11 LEU 46 -2.472 -5.065 -3.487 295 2HD1 LEU 46 HD12 LEU 46 -4.117 -4.991 -4.124 296 3HD1 LEU 46 HD13 LEU 46 -2.751 -4.612 -5.170 297 1HD2 LEU 46 HD21 LEU 46 -3.811 -3.869 -1.857 298 2HD2 LEU 46 HD22 LEU 46 -2.413 -2.788 -1.808 299 3HD2 LEU 46 HD23 LEU 46 -4.028 -2.126 -2.033 300 H LYS 47 HN LYS 47 -1.181 -0.245 -6.498 301 HA LYS 47 HA LYS 47 1.567 0.042 -5.840 302 1HB LYS 47 HB2 LYS 47 -0.105 0.505 -8.261 303 2HB LYS 47 HB3 LYS 47 1.509 1.198 -8.212 304 1HG LYS 47 HG2 LYS 47 2.531 -0.902 -8.053 305 2HG LYS 47 HG3 LYS 47 1.008 -1.702 -7.653 306 1HD LYS 47 HD2 LYS 47 0.197 -0.971 -9.942 307 2HD LYS 47 HD3 LYS 47 1.871 -0.541 -10.287 308 1HE LYS 47 HE2 LYS 47 2.467 -2.672 -10.611 309 2HE LYS 47 HE3 LYS 47 1.604 -3.209 -9.171 310 1HZ LYS 47 HZ1 LYS 47 -0.201 -2.483 -11.263 311 2HZ LYS 47 HZ2 LYS 47 -0.074 -3.943 -10.401 312 3HZ LYS 47 HZ3 LYS 47 0.891 -3.678 -11.774 313 H LYS 48 HN LYS 48 -0.902 2.463 -6.774 314 HA LYS 48 HA LYS 48 0.850 4.664 -6.448 315 1HB LYS 48 HB2 LYS 48 -1.405 5.951 -6.314 316 2HB LYS 48 HB3 LYS 48 -0.967 5.135 -7.803 317 1HG LYS 48 HG2 LYS 48 -2.390 3.267 -7.256 318 2HG LYS 48 HG3 LYS 48 -2.780 4.000 -5.701 319 1HD LYS 48 HD2 LYS 48 -4.600 4.668 -6.891 320 2HD LYS 48 HD3 LYS 48 -3.515 6.015 -7.239 321 1HE LYS 48 HE2 LYS 48 -2.952 4.036 -9.149 322 2HE LYS 48 HE3 LYS 48 -4.708 4.133 -9.038 323 1HZ LYS 48 HZ1 LYS 48 -2.794 6.117 -9.979 324 2HZ LYS 48 HZ2 LYS 48 -4.129 6.706 -9.114 325 3HZ LYS 48 HZ3 LYS 48 -4.368 5.788 -10.517 326 H MET 49 HN MET 49 -1.441 3.117 -4.263 327 HA MET 49 HA MET 49 -1.209 5.102 -2.238 328 1HB MET 49 HB2 MET 49 -2.900 3.978 -1.310 329 2HB MET 49 HB3 MET 49 -2.852 2.906 -2.701 330 1HG MET 49 HG2 MET 49 -1.955 1.210 -1.521 331 2HG MET 49 HG3 MET 49 -0.999 2.277 -0.492 332 1HE MET 49 HE1 MET 49 -4.612 1.372 -1.437 333 2HE MET 49 HE2 MET 49 -4.158 -0.047 -0.493 334 3HE MET 49 HE3 MET 49 -5.391 1.067 0.119 335 H ALA 50 HN ALA 50 0.622 2.264 -3.081 336 HA ALA 50 HA ALA 50 2.022 2.055 -0.605 337 1HB ALA 50 HB1 ALA 50 1.861 0.557 -2.980 338 2HB ALA 50 HB2 ALA 50 3.556 0.997 -2.768 339 3HB ALA 50 HB3 ALA 50 2.699 0.138 -1.486 340 H ALA 51 HN ALA 51 2.516 3.835 -3.581 341 HA ALA 51 HA ALA 51 5.228 4.566 -2.928 342 1HB ALA 51 HB1 ALA 51 5.101 4.594 -5.172 343 2HB ALA 51 HB2 ALA 51 3.381 4.979 -5.175 344 3HB ALA 51 HB3 ALA 51 4.570 6.256 -4.916 345 H ILE 52 HN ILE 52 2.091 6.248 -2.999 346 HA ILE 52 HA ILE 52 3.280 8.693 -2.026 347 HB ILE 52 HB ILE 52 0.494 7.827 -2.699 348 1HG1 ILE 52 HG12 ILE 52 0.991 10.217 -3.944 349 2HG1 ILE 52 HG13 ILE 52 2.604 9.516 -3.861 350 1HG2 ILE 52 HG21 ILE 52 -0.208 10.216 -2.148 351 2HG2 ILE 52 HG22 ILE 52 -0.008 9.100 -0.798 352 3HG2 ILE 52 HG23 ILE 52 1.246 10.291 -1.152 353 1HD1 ILE 52 HD11 ILE 52 2.117 8.367 -5.672 354 2HD1 ILE 52 HD12 ILE 52 0.944 7.452 -4.725 355 3HD1 ILE 52 HD13 ILE 52 0.439 8.896 -5.616 356 H LEU 53 HN LEU 53 1.330 6.085 -0.703 357 HA LEU 53 HA LEU 53 0.690 5.527 1.396 358 1HB LEU 53 HB2 LEU 53 3.392 6.716 1.740 359 2HB LEU 53 HB3 LEU 53 2.427 6.484 3.182 360 HG LEU 53 HG LEU 53 3.552 4.425 1.323 361 1HD1 LEU 53 HD11 LEU 53 4.324 5.395 3.769 362 2HD1 LEU 53 HD12 LEU 53 3.401 3.958 4.207 363 3HD1 LEU 53 HD13 LEU 53 4.775 3.819 3.113 364 1HD2 LEU 53 HD21 LEU 53 1.979 3.026 3.103 365 2HD2 LEU 53 HD22 LEU 53 0.939 4.366 2.614 366 3HD2 LEU 53 HD23 LEU 53 1.619 3.291 1.395 367 HA PRO 54 HA PRO 54 -1.183 9.787 1.956 368 1HB PRO 54 HB2 PRO 54 -3.651 8.168 1.987 369 2HB PRO 54 HB3 PRO 54 -3.281 9.640 1.080 370 1HG PRO 54 HG2 PRO 54 -3.433 7.243 -0.124 371 2HG PRO 54 HG3 PRO 54 -2.271 8.473 -0.644 372 1HD PRO 54 HD2 PRO 54 -1.834 6.028 1.025 373 2HD PRO 54 HD3 PRO 54 -0.799 6.723 -0.242 374 H MET 55 HN MET 55 -0.697 10.243 4.004 375 HA MET 55 HA MET 55 -1.229 8.465 6.183 376 1HB MET 55 HB2 MET 55 0.113 11.013 5.762 377 2HB MET 55 HB3 MET 55 -0.745 10.951 7.295 378 1HG MET 55 HG2 MET 55 0.705 8.514 6.883 379 2HG MET 55 HG3 MET 55 1.775 9.899 6.684 380 1HE MET 55 HE1 MET 55 0.007 7.565 9.185 381 2HE MET 55 HE2 MET 55 -0.468 8.654 10.489 382 3HE MET 55 HE3 MET 55 -1.233 8.788 8.904 383 H ASN 56 HN ASN 56 -3.099 10.752 4.514 384 HA ASN 56 HA ASN 56 -5.219 10.500 6.496 385 1HB ASN 56 HB2 ASN 56 -3.749 12.804 6.446 386 2HB ASN 56 HB3 ASN 56 -5.068 13.194 5.347 387 1HD2 ASN 56 HD21 ASN 56 -5.835 14.740 6.855 388 2HD2 ASN 56 HD22 ASN 56 -6.706 14.251 8.267 389 H ASP 57 HN ASP 57 -7.350 11.185 5.613 390 HA ASP 57 HA ASP 57 -7.752 10.045 3.047 391 1HB ASP 57 HB2 ASP 57 -9.397 10.826 5.238 392 2HB ASP 57 HB3 ASP 57 -10.030 11.606 3.791 393 H SER 58 HN SER 58 -6.847 13.161 3.990 394 HA SER 58 HA SER 58 -8.047 14.629 1.865 395 1HB SER 58 HB2 SER 58 -5.804 16.071 2.686 396 2HB SER 58 HB3 SER 58 -7.443 16.239 3.320 397 HG SER 58 HG SER 58 -5.232 15.289 4.546 398 H ALA 59 HN ALA 59 -4.862 13.210 2.421 399 HA ALA 59 HA ALA 59 -3.630 14.070 0.024 400 1HB ALA 59 HB1 ALA 59 -2.824 11.513 1.333 401 2HB ALA 59 HB2 ALA 59 -1.825 12.807 0.670 402 3HB ALA 59 HB3 ALA 59 -2.635 13.026 2.220 403 H PHE 60 HN PHE 60 -5.754 11.508 0.818 404 HA PHE 60 HA PHE 60 -5.289 9.647 -1.164 405 1HB PHE 60 HB2 PHE 60 -7.624 10.404 0.484 406 2HB PHE 60 HB3 PHE 60 -7.945 9.428 -0.948 407 HD1 PHE 60 HD1 PHE 60 -7.698 9.077 2.323 408 HD2 PHE 60 HD2 PHE 60 -5.755 7.619 -1.162 409 HE1 PHE 60 HE1 PHE 60 -7.005 7.077 3.559 410 HE2 PHE 60 HE2 PHE 60 -5.049 5.607 0.070 411 HZ PHE 60 HZ PHE 60 -5.670 5.276 2.310 412 H ALA 61 HN ALA 61 -6.762 12.779 -1.498 413 HA ALA 61 HA ALA 61 -8.252 12.384 -3.836 414 1HB ALA 61 HB1 ALA 61 -8.728 14.405 -2.880 415 2HB ALA 61 HB2 ALA 61 -7.043 14.753 -2.496 416 3HB ALA 61 HB3 ALA 61 -7.628 14.924 -4.152 417 H THR 62 HN THR 62 -4.775 12.683 -3.402 418 HA THR 62 HA THR 62 -4.341 13.241 -6.207 419 HB THR 62 HB THR 62 -1.880 12.656 -5.351 420 HG1 THR 62 HG1 THR 62 -2.719 12.323 -3.170 421 1HG2 THR 62 HG21 THR 62 -1.548 15.065 -5.090 422 2HG2 THR 62 HG22 THR 62 -3.296 15.289 -5.004 423 3HG2 THR 62 HG23 THR 62 -2.551 14.697 -6.490 424 H LEU 63 HN LEU 63 -5.146 10.500 -4.582 425 HA LEU 63 HA LEU 63 -3.352 8.634 -5.814 426 1HB LEU 63 HB2 LEU 63 -5.902 8.443 -4.272 427 2HB LEU 63 HB3 LEU 63 -5.443 7.072 -5.253 428 HG LEU 63 HG LEU 63 -4.138 8.148 -2.784 429 1HD1 LEU 63 HD11 LEU 63 -5.633 5.853 -3.546 430 2HD1 LEU 63 HD12 LEU 63 -4.014 5.340 -3.080 431 3HD1 LEU 63 HD13 LEU 63 -5.002 6.278 -1.956 432 1HD2 LEU 63 HD21 LEU 63 -2.152 6.840 -3.210 433 2HD2 LEU 63 HD22 LEU 63 -2.760 6.377 -4.801 434 3HD2 LEU 63 HD23 LEU 63 -2.340 8.062 -4.468 435 H GLY 64 HN GLY 64 -6.230 10.276 -6.720 436 1HA GLY 64 HA1 GLY 64 -6.455 10.401 -9.206 437 2HA GLY 64 HA2 GLY 64 -6.413 8.644 -9.159 438 H THR 65 HN THR 65 -8.305 7.644 -9.141 439 HA THR 65 HA THR 65 -10.607 9.055 -7.982 440 HB THR 65 HB THR 65 -11.512 7.403 -10.069 441 HG1 THR 65 HG1 THR 65 -9.685 9.370 -11.035 442 1HG2 THR 65 HG21 THR 65 -11.640 10.198 -10.722 443 2HG2 THR 65 HG22 THR 65 -11.981 9.948 -9.011 444 3HG2 THR 65 HG23 THR 65 -12.937 9.107 -10.229 445 H VAL 66 HN VAL 66 -9.895 7.607 -6.147 446 HA VAL 66 HA VAL 66 -10.231 4.788 -6.446 447 HB VAL 66 HB VAL 66 -10.407 4.929 -3.830 448 1HG1 VAL 66 HG11 VAL 66 -7.896 5.163 -3.745 449 2HG1 VAL 66 HG12 VAL 66 -8.542 3.924 -4.826 450 3HG1 VAL 66 HG13 VAL 66 -7.971 5.455 -5.485 451 1HG2 VAL 66 HG21 VAL 66 -8.799 7.387 -4.102 452 2HG2 VAL 66 HG22 VAL 66 -10.551 7.562 -4.199 453 3HG2 VAL 66 HG23 VAL 66 -9.814 6.838 -2.765 454 H GLU 67 HN GLU 67 -12.009 3.617 -6.343 455 HA GLU 67 HA GLU 67 -14.555 4.594 -6.601 456 1HB GLU 67 HB2 GLU 67 -13.407 2.102 -6.507 457 2HB GLU 67 HB3 GLU 67 -14.468 2.078 -5.118 458 1HG GLU 67 HG2 GLU 67 -16.282 1.906 -6.360 459 2HG GLU 67 HG3 GLU 67 -15.741 3.129 -7.510 460 H ASP 68 HN ASP 68 -16.379 4.779 -5.233 461 HA ASP 68 HA ASP 68 -15.928 5.996 -2.746 462 1HB ASP 68 HB2 ASP 68 -18.088 5.743 -4.365 463 2HB ASP 68 HB3 ASP 68 -18.532 4.620 -3.086 464 H LYS 69 HN LYS 69 -16.715 2.700 -3.635 465 HA LYS 69 HA LYS 69 -16.959 1.750 -0.963 466 1HB LYS 69 HB2 LYS 69 -17.014 -0.482 -1.919 467 2HB LYS 69 HB3 LYS 69 -18.060 0.596 -2.831 468 1HG LYS 69 HG2 LYS 69 -15.869 0.823 -4.324 469 2HG LYS 69 HG3 LYS 69 -15.556 -0.773 -3.638 470 1HD LYS 69 HD2 LYS 69 -18.278 -0.709 -4.432 471 2HD LYS 69 HD3 LYS 69 -17.320 -0.057 -5.760 472 1HE LYS 69 HE2 LYS 69 -15.946 -2.313 -4.760 473 2HE LYS 69 HE3 LYS 69 -17.641 -2.769 -4.956 474 1HZ LYS 69 HZ1 LYS 69 -16.250 -1.305 -7.105 475 2HZ LYS 69 HZ2 LYS 69 -17.573 -2.362 -7.206 476 3HZ LYS 69 HZ3 LYS 69 -16.022 -2.979 -6.937 477 H TYR 70 HN TYR 70 -14.288 2.272 -3.134 478 HA TYR 70 HA TYR 70 -12.473 0.550 -1.727 479 1HB TYR 70 HB2 TYR 70 -11.933 2.833 -3.645 480 2HB TYR 70 HB3 TYR 70 -10.691 1.782 -2.981 481 HD1 TYR 70 HD1 TYR 70 -10.627 1.919 -5.741 482 HD2 TYR 70 HD2 TYR 70 -13.289 -0.392 -3.372 483 HE1 TYR 70 HE1 TYR 70 -10.939 0.369 -7.616 484 HE2 TYR 70 HE2 TYR 70 -13.608 -1.958 -5.240 485 HH TYR 70 HH TYR 70 -13.097 -1.386 -8.220 486 H ARG 71 HN ARG 71 -13.353 3.955 -1.657 487 HA ARG 71 HA ARG 71 -11.387 4.730 0.279 488 1HB ARG 71 HB2 ARG 71 -13.763 5.930 -1.010 489 2HB ARG 71 HB3 ARG 71 -13.411 6.535 0.599 490 1HG ARG 71 HG2 ARG 71 -10.953 6.540 -0.700 491 2HG ARG 71 HG3 ARG 71 -12.107 7.073 -1.927 492 1HD ARG 71 HD2 ARG 71 -13.006 8.571 0.033 493 2HD ARG 71 HD3 ARG 71 -11.390 8.314 0.672 494 HE ARG 71 HE ARG 71 -11.596 9.266 -2.070 495 1HH1 ARG 71 HH12 ARG 71 -10.985 10.030 1.309 496 2HH1 ARG 71 HH11 ARG 71 -10.225 11.550 0.942 497 1HH2 ARG 71 HH22 ARG 71 -10.588 11.267 -2.528 498 2HH2 ARG 71 HH21 ARG 71 -10.040 12.271 -1.217 499 H ARG 72 HN ARG 72 -14.648 3.442 0.354 500 HA ARG 72 HA ARG 72 -15.240 3.881 3.054 501 1HB ARG 72 HB2 ARG 72 -17.156 3.346 1.944 502 2HB ARG 72 HB3 ARG 72 -16.333 2.263 0.835 503 1HG ARG 72 HG2 ARG 72 -16.158 1.020 3.286 504 2HG ARG 72 HG3 ARG 72 -17.799 1.670 3.220 505 1HD ARG 72 HD2 ARG 72 -17.046 0.502 0.696 506 2HD ARG 72 HD3 ARG 72 -16.852 -0.666 2.007 507 HE ARG 72 HE ARG 72 -19.377 0.802 1.889 508 1HH1 ARG 72 HH12 ARG 72 -17.638 -2.183 1.207 509 2HH1 ARG 72 HH11 ARG 72 -19.087 -3.124 1.009 510 1HH2 ARG 72 HH22 ARG 72 -21.262 -0.417 1.560 511 2HH2 ARG 72 HH21 ARG 72 -21.157 -2.122 1.211 512 H ARG 73 HN ARG 73 -13.889 0.979 1.415 513 HA ARG 73 HA ARG 73 -13.490 -0.276 3.995 514 1HB ARG 73 HB2 ARG 73 -13.237 -2.240 2.892 515 2HB ARG 73 HB3 ARG 73 -13.983 -1.356 1.574 516 1HG ARG 73 HG2 ARG 73 -11.028 -1.289 1.822 517 2HG ARG 73 HG3 ARG 73 -11.801 -2.755 1.213 518 1HD ARG 73 HD2 ARG 73 -12.974 -0.463 -0.001 519 2HD ARG 73 HD3 ARG 73 -11.223 -0.381 -0.179 520 HE ARG 73 HE ARG 73 -11.265 -2.295 -1.497 521 1HH1 ARG 73 HH12 ARG 73 -14.481 -1.611 -0.267 522 2HH1 ARG 73 HH11 ARG 73 -15.271 -2.654 -1.411 523 1HH2 ARG 73 HH22 ARG 73 -12.293 -3.627 -2.998 524 2HH2 ARG 73 HH21 ARG 73 -14.026 -3.781 -2.999 525 H PHE 74 HN PHE 74 -11.872 2.047 2.333 526 HA PHE 74 HA PHE 74 -9.166 1.413 2.450 527 1HB PHE 74 HB2 PHE 74 -10.731 3.761 2.053 528 2HB PHE 74 HB3 PHE 74 -9.479 4.140 3.239 529 HD1 PHE 74 HD1 PHE 74 -10.010 4.757 0.055 530 HD2 PHE 74 HD2 PHE 74 -7.260 2.468 2.363 531 HE1 PHE 74 HE1 PHE 74 -8.331 4.960 -1.738 532 HE2 PHE 74 HE2 PHE 74 -5.593 2.666 0.575 533 HZ PHE 74 HZ PHE 74 -6.116 3.917 -1.472 534 H LYS 75 HN LYS 75 -11.390 2.300 4.972 535 HA LYS 75 HA LYS 75 -9.654 3.012 7.018 536 1HB LYS 75 HB2 LYS 75 -11.500 2.224 8.527 537 2HB LYS 75 HB3 LYS 75 -11.998 3.356 7.278 538 1HG LYS 75 HG2 LYS 75 -12.617 1.223 5.922 539 2HG LYS 75 HG3 LYS 75 -12.573 0.426 7.504 540 1HD LYS 75 HD2 LYS 75 -14.018 2.720 7.990 541 2HD LYS 75 HD3 LYS 75 -14.555 2.233 6.380 542 1HE LYS 75 HE2 LYS 75 -15.647 0.427 7.167 543 2HE LYS 75 HE3 LYS 75 -14.356 0.034 8.306 544 1HZ LYS 75 HZ1 LYS 75 -15.395 1.094 9.956 545 2HZ LYS 75 HZ2 LYS 75 -16.779 1.021 8.988 546 3HZ LYS 75 HZ3 LYS 75 -15.821 2.422 8.991 547 H TYR 76 HN TYR 76 -10.269 -0.135 5.652 548 HA TYR 76 HA TYR 76 -9.221 -1.602 7.923 549 1HB TYR 76 HB2 TYR 76 -9.978 -2.408 5.112 550 2HB TYR 76 HB3 TYR 76 -9.334 -3.544 6.294 551 HD1 TYR 76 HD1 TYR 76 -12.260 -1.973 5.022 552 HD2 TYR 76 HD2 TYR 76 -10.645 -3.788 8.515 553 HE1 TYR 76 HE1 TYR 76 -14.531 -2.321 5.891 554 HE2 TYR 76 HE2 TYR 76 -12.916 -4.139 9.393 555 HH TYR 76 HH TYR 76 -15.341 -4.394 8.172 556 H PHE 77 HN PHE 77 -7.951 0.187 5.433 557 HA PHE 77 HA PHE 77 -5.389 -1.267 5.426 558 1HB PHE 77 HB2 PHE 77 -6.825 0.379 3.434 559 2HB PHE 77 HB3 PHE 77 -5.094 0.696 3.564 560 HD1 PHE 77 HD1 PHE 77 -6.708 -0.483 1.235 561 HD2 PHE 77 HD2 PHE 77 -4.391 -2.245 4.334 562 HE1 PHE 77 HE1 PHE 77 -6.272 -2.426 -0.199 563 HE2 PHE 77 HE2 PHE 77 -3.946 -4.194 2.896 564 HZ PHE 77 HZ PHE 77 -4.891 -4.280 0.615 565 H LYS 78 HN LYS 78 -7.014 1.479 6.575 566 HA LYS 78 HA LYS 78 -5.029 3.422 6.697 567 1HB LYS 78 HB2 LYS 78 -7.636 3.092 7.642 568 2HB LYS 78 HB3 LYS 78 -6.669 3.408 9.077 569 1HG LYS 78 HG2 LYS 78 -7.006 5.553 8.555 570 2HG LYS 78 HG3 LYS 78 -5.704 5.290 7.405 571 1HD LYS 78 HD2 LYS 78 -7.089 5.881 5.774 572 2HD LYS 78 HD3 LYS 78 -8.035 4.429 6.111 573 1HE LYS 78 HE2 LYS 78 -9.721 5.827 6.571 574 2HE LYS 78 HE3 LYS 78 -8.860 6.180 8.067 575 1HZ LYS 78 HZ1 LYS 78 -9.224 8.265 7.157 576 2HZ LYS 78 HZ2 LYS 78 -8.942 7.745 5.563 577 3HZ LYS 78 HZ3 LYS 78 -7.644 7.913 6.644 578 H ALA 79 HN ALA 79 -5.516 0.579 8.677 579 HA ALA 79 HA ALA 79 -3.741 1.333 10.783 580 1HB ALA 79 HB1 ALA 79 -5.095 -0.312 11.548 581 2HB ALA 79 HB2 ALA 79 -5.182 -1.118 9.981 582 3HB ALA 79 HB3 ALA 79 -3.757 -1.323 10.995 583 H THR 80 HN THR 80 -3.406 -0.244 7.697 584 HA THR 80 HA THR 80 -0.696 -1.116 8.161 585 HB THR 80 HB THR 80 -1.539 -1.066 5.394 586 HG1 THR 80 HG1 THR 80 -3.355 -2.406 5.639 587 1HG2 THR 80 HG21 THR 80 0.158 -2.571 6.028 588 2HG2 THR 80 HG22 THR 80 -1.261 -3.585 5.764 589 3HG2 THR 80 HG23 THR 80 -0.772 -3.162 7.406 590 H ILE 81 HN ILE 81 -2.328 1.377 6.227 591 HA ILE 81 HA ILE 81 -0.066 2.409 4.937 592 HB ILE 81 HB ILE 81 -2.520 3.974 5.763 593 1HG1 ILE 81 HG12 ILE 81 -2.063 2.459 3.185 594 2HG1 ILE 81 HG13 ILE 81 -3.027 1.837 4.522 595 1HG2 ILE 81 HG21 ILE 81 -0.171 4.752 4.385 596 2HG2 ILE 81 HG22 ILE 81 -1.480 4.676 3.202 597 3HG2 ILE 81 HG23 ILE 81 -1.649 5.681 4.643 598 1HD1 ILE 81 HD11 ILE 81 -4.190 3.002 2.532 599 2HD1 ILE 81 HD12 ILE 81 -4.716 3.357 4.175 600 3HD1 ILE 81 HD13 ILE 81 -3.669 4.494 3.318 601 H ALA 82 HN ALA 82 -1.379 3.020 8.146 602 HA ALA 82 HA ALA 82 0.393 5.221 8.699 603 1HB ALA 82 HB1 ALA 82 -1.175 3.592 10.682 604 2HB ALA 82 HB2 ALA 82 -0.540 5.226 10.893 605 3HB ALA 82 HB3 ALA 82 -1.851 4.928 9.750 606 H ASP 83 HN ASP 83 0.496 1.768 9.060 607 HA ASP 83 HA ASP 83 2.709 1.803 10.925 608 1HB ASP 83 HB2 ASP 83 1.071 -0.025 11.008 609 2HB ASP 83 HB3 ASP 83 1.493 -0.481 9.361 610 H LEU 84 HN LEU 84 2.254 1.128 7.472 611 HA LEU 84 HA LEU 84 4.895 0.322 6.935 612 1HB LEU 84 HB2 LEU 84 2.710 1.443 5.207 613 2HB LEU 84 HB3 LEU 84 4.278 1.009 4.550 614 HG LEU 84 HG LEU 84 2.889 -1.057 6.164 615 1HD1 LEU 84 HD11 LEU 84 1.037 -0.232 4.856 616 2HD1 LEU 84 HD12 LEU 84 2.018 -0.258 3.391 617 3HD1 LEU 84 HD13 LEU 84 1.585 -1.771 4.189 618 1HD2 LEU 84 HD21 LEU 84 3.928 -2.527 4.556 619 2HD2 LEU 84 HD22 LEU 84 4.395 -1.148 3.558 620 3HD2 LEU 84 HD23 LEU 84 5.120 -1.369 5.150 621 H SER 85 HN SER 85 3.479 3.513 7.240 622 HA SER 85 HA SER 85 5.609 4.884 5.932 623 1HB SER 85 HB2 SER 85 4.564 6.797 7.509 624 2HB SER 85 HB3 SER 85 3.820 6.288 5.992 625 HG SER 85 HG SER 85 2.239 5.341 7.061 626 H LYS 86 HN LYS 86 5.018 3.730 9.151 627 HA LYS 86 HA LYS 86 7.194 5.197 10.361 628 1HB LYS 86 HB2 LYS 86 5.150 3.230 11.265 629 2HB LYS 86 HB3 LYS 86 6.638 3.309 12.193 630 1HG LYS 86 HG2 LYS 86 6.288 5.704 12.550 631 2HG LYS 86 HG3 LYS 86 4.773 5.609 11.648 632 1HD LYS 86 HD2 LYS 86 5.083 3.671 13.843 633 2HD LYS 86 HD3 LYS 86 4.965 5.364 14.335 634 1HE LYS 86 HE2 LYS 86 2.997 3.854 12.599 635 2HE LYS 86 HE3 LYS 86 2.758 4.316 14.284 636 1HZ LYS 86 HZ1 LYS 86 2.857 6.049 11.894 637 2HZ LYS 86 HZ2 LYS 86 3.105 6.686 13.448 638 3HZ LYS 86 HZ3 LYS 86 1.638 5.921 13.063 639 H LYS 87 HN LYS 87 6.604 2.067 8.967 640 HA LYS 87 HA LYS 87 9.111 0.945 9.838 641 1HB LYS 87 HB2 LYS 87 7.107 -0.083 7.818 642 2HB LYS 87 HB3 LYS 87 8.458 -0.994 8.478 643 1HG LYS 87 HG2 LYS 87 6.690 0.126 10.516 644 2HG LYS 87 HG3 LYS 87 5.905 -1.024 9.433 645 1HD LYS 87 HD2 LYS 87 8.397 -2.136 10.068 646 2HD LYS 87 HD3 LYS 87 7.741 -1.504 11.580 647 1HE LYS 87 HE2 LYS 87 6.182 -3.271 9.694 648 2HE LYS 87 HE3 LYS 87 7.124 -3.888 11.050 649 1HZ LYS 87 HZ1 LYS 87 5.645 -1.992 12.234 650 2HZ LYS 87 HZ2 LYS 87 5.225 -3.633 12.172 651 3HZ LYS 87 HZ3 LYS 87 4.569 -2.544 11.044 652 H ARG 88 HN ARG 88 8.115 3.009 7.388 653 HA ARG 88 HA ARG 88 9.845 2.220 5.282 654 1HB ARG 88 HB2 ARG 88 7.793 3.886 5.333 655 2HB ARG 88 HB3 ARG 88 9.056 5.077 5.628 656 1HG ARG 88 HG2 ARG 88 10.210 4.238 3.587 657 2HG ARG 88 HG3 ARG 88 8.789 3.242 3.264 658 1HD ARG 88 HD2 ARG 88 7.949 5.919 3.818 659 2HD ARG 88 HD3 ARG 88 9.211 5.952 2.585 660 HE ARG 88 HE ARG 88 7.285 3.950 1.994 661 1HH1 ARG 88 HH12 ARG 88 7.742 7.425 1.938 662 2HH1 ARG 88 HH11 ARG 88 6.640 7.680 0.614 663 1HH2 ARG 88 HH22 ARG 88 5.778 4.291 0.285 664 2HH2 ARG 88 HH21 ARG 88 5.540 5.895 -0.332 665 H SER 89 HN SER 89 10.338 3.938 8.227 666 HA SER 89 HA SER 89 12.711 5.319 7.395 667 1HB SER 89 HB2 SER 89 12.394 4.913 10.271 668 2HB SER 89 HB3 SER 89 12.477 6.410 9.341 669 HG SER 89 HG SER 89 10.375 6.523 9.350 670 H SER 90 HN SER 90 13.216 2.849 6.582 671 HA SER 90 HA SER 90 14.636 1.074 6.639 672 1HB SER 90 HB2 SER 90 16.449 2.393 8.592 673 2HB SER 90 HB3 SER 90 16.795 1.686 7.016 674 HG SER 90 HG SER 90 15.941 4.268 7.674 675 H GLU 91 HN GLU 91 12.519 0.783 8.436 676 HA GLU 91 HA GLU 91 13.528 -0.138 10.972 677 1HB GLU 91 HB2 GLU 91 10.840 -0.077 9.651 678 2HB GLU 91 HB3 GLU 91 11.092 -1.137 11.031 679 1HG GLU 91 HG2 GLU 91 11.675 1.810 11.073 680 2HG GLU 91 HG3 GLU 91 10.128 1.111 11.546 Start of MODEL 13 1 H GLU 11 HN GLU 11 13.778 6.203 -2.555 2 HA GLU 11 HA GLU 11 13.956 3.820 -0.946 3 1HB GLU 11 HB2 GLU 11 11.591 5.453 -0.553 4 2HB GLU 11 HB3 GLU 11 12.822 4.979 0.595 5 1HG GLU 11 HG2 GLU 11 13.030 7.271 0.585 6 2HG GLU 11 HG3 GLU 11 14.278 6.767 -0.551 7 H LEU 12 HN LEU 12 13.574 2.606 -3.082 8 HA LEU 12 HA LEU 12 10.671 2.188 -3.417 9 1HB LEU 12 HB2 LEU 12 12.855 2.469 -5.352 10 2HB LEU 12 HB3 LEU 12 11.840 1.068 -5.646 11 HG LEU 12 HG LEU 12 10.504 3.708 -5.206 12 1HD1 LEU 12 HD11 LEU 12 10.907 3.397 -7.983 13 2HD1 LEU 12 HD12 LEU 12 11.457 4.706 -6.938 14 3HD1 LEU 12 HD13 LEU 12 12.489 3.301 -7.208 15 1HD2 LEU 12 HD21 LEU 12 9.037 2.681 -7.035 16 2HD2 LEU 12 HD22 LEU 12 9.947 1.193 -6.772 17 3HD2 LEU 12 HD23 LEU 12 9.010 1.900 -5.454 18 H ASN 13 HN ASN 13 13.356 0.856 -2.068 19 HA ASN 13 HA ASN 13 12.922 -1.897 -2.825 20 1HB ASN 13 HB2 ASN 13 15.119 -1.613 -2.165 21 2HB ASN 13 HB3 ASN 13 14.710 -0.492 -0.876 22 1HD2 ASN 13 HD21 ASN 13 14.603 -1.216 1.118 23 2HD2 ASN 13 HD22 ASN 13 14.655 -2.889 1.587 24 H ASN 14 HN ASN 14 12.290 0.105 0.046 25 HA ASN 14 HA ASN 14 10.802 -1.987 1.348 26 1HB ASN 14 HB2 ASN 14 12.015 0.206 2.329 27 2HB ASN 14 HB3 ASN 14 10.371 0.825 2.181 28 1HD2 ASN 14 HD21 ASN 14 12.283 -0.225 4.412 29 2HD2 ASN 14 HD22 ASN 14 11.217 -1.183 5.387 30 H LEU 15 HN LEU 15 10.198 0.413 -0.999 31 HA LEU 15 HA LEU 15 7.422 0.822 -0.652 32 1HB LEU 15 HB2 LEU 15 9.189 1.982 -2.234 33 2HB LEU 15 HB3 LEU 15 8.666 0.751 -3.366 34 HG LEU 15 HG LEU 15 6.523 2.342 -2.071 35 1HD1 LEU 15 HD11 LEU 15 8.130 3.480 -4.336 36 2HD1 LEU 15 HD12 LEU 15 6.841 4.255 -3.415 37 3HD1 LEU 15 HD13 LEU 15 8.403 3.939 -2.655 38 1HD2 LEU 15 HD21 LEU 15 6.866 1.783 -4.985 39 2HD2 LEU 15 HD22 LEU 15 6.366 0.488 -3.899 40 3HD2 LEU 15 HD23 LEU 15 5.382 1.947 -4.046 41 H ARG 16 HN ARG 16 9.336 -1.676 -2.170 42 HA ARG 16 HA ARG 16 7.218 -2.984 -3.545 43 1HB ARG 16 HB2 ARG 16 9.234 -3.736 -4.360 44 2HB ARG 16 HB3 ARG 16 10.025 -3.630 -2.795 45 1HG ARG 16 HG2 ARG 16 9.715 -5.794 -2.407 46 2HG ARG 16 HG3 ARG 16 8.004 -5.697 -2.814 47 1HD ARG 16 HD2 ARG 16 8.572 -5.824 -5.198 48 2HD ARG 16 HD3 ARG 16 10.280 -5.951 -4.779 49 HE ARG 16 HE ARG 16 8.216 -8.005 -4.425 50 1HH1 ARG 16 HH12 ARG 16 11.567 -7.007 -4.134 51 2HH1 ARG 16 HH11 ARG 16 12.154 -8.628 -3.857 52 1HH2 ARG 16 HH22 ARG 16 8.968 -10.107 -4.022 53 2HH2 ARG 16 HH21 ARG 16 10.664 -10.388 -3.767 54 H MET 17 HN MET 17 8.594 -3.173 -0.323 55 HA MET 17 HA MET 17 7.085 -5.416 0.551 56 1HB MET 17 HB2 MET 17 9.106 -3.781 1.640 57 2HB MET 17 HB3 MET 17 7.725 -3.625 2.717 58 1HG MET 17 HG2 MET 17 7.986 -5.670 3.535 59 2HG MET 17 HG3 MET 17 8.189 -6.368 1.931 60 1HE MET 17 HE1 MET 17 10.498 -5.169 0.642 61 2HE MET 17 HE2 MET 17 11.996 -5.852 1.273 62 3HE MET 17 HE3 MET 17 10.655 -6.915 0.844 63 H THR 18 HN THR 18 6.562 -1.946 0.543 64 HA THR 18 HA THR 18 4.290 -1.789 2.173 65 HB THR 18 HB THR 18 4.760 -0.124 -0.306 66 HG1 THR 18 HG1 THR 18 6.161 -0.181 2.141 67 1HG2 THR 18 HG21 THR 18 3.051 0.081 2.067 68 2HG2 THR 18 HG22 THR 18 2.889 0.831 0.478 69 3HG2 THR 18 HG23 THR 18 3.951 1.551 1.685 70 H TYR 19 HN TYR 19 4.603 -2.087 -1.338 71 HA TYR 19 HA TYR 19 1.863 -2.407 -1.901 72 1HB TYR 19 HB2 TYR 19 3.372 -1.749 -3.638 73 2HB TYR 19 HB3 TYR 19 4.360 -3.185 -3.405 74 HD1 TYR 19 HD1 TYR 19 0.922 -2.142 -4.382 75 HD2 TYR 19 HD2 TYR 19 4.017 -5.034 -4.772 76 HE1 TYR 19 HE1 TYR 19 -0.364 -3.273 -6.148 77 HE2 TYR 19 HE2 TYR 19 2.740 -6.177 -6.537 78 HH TYR 19 HH TYR 19 -0.186 -4.798 -7.891 79 H GLU 20 HN GLU 20 4.446 -4.710 -1.223 80 HA GLU 20 HA GLU 20 3.050 -7.087 -1.786 81 1HB GLU 20 HB2 GLU 20 5.520 -6.333 -0.337 82 2HB GLU 20 HB3 GLU 20 4.804 -7.869 0.137 83 1HG GLU 20 HG2 GLU 20 4.722 -8.190 -2.500 84 2HG GLU 20 HG3 GLU 20 6.078 -7.069 -2.414 85 H ARG 21 HN ARG 21 3.483 -5.302 1.267 86 HA ARG 21 HA ARG 21 2.014 -7.092 2.885 87 1HB ARG 21 HB2 ARG 21 3.561 -4.936 3.386 88 2HB ARG 21 HB3 ARG 21 1.971 -4.205 3.566 89 1HG ARG 21 HG2 ARG 21 2.412 -4.882 5.710 90 2HG ARG 21 HG3 ARG 21 1.496 -6.255 5.093 91 1HD ARG 21 HD2 ARG 21 4.415 -6.365 4.694 92 2HD ARG 21 HD3 ARG 21 3.856 -6.482 6.363 93 HE ARG 21 HE ARG 21 2.458 -8.368 5.611 94 1HH1 ARG 21 HH12 ARG 21 5.285 -7.468 3.751 95 2HH1 ARG 21 HH11 ARG 21 5.432 -9.026 2.990 96 1HH2 ARG 21 HH22 ARG 21 2.677 -10.401 4.668 97 2HH2 ARG 21 HH21 ARG 21 3.953 -10.698 3.522 98 H LEU 22 HN LEU 22 1.066 -4.422 0.850 99 HA LEU 22 HA LEU 22 -1.597 -4.117 1.807 100 1HB LEU 22 HB2 LEU 22 -0.053 -3.319 -0.609 101 2HB LEU 22 HB3 LEU 22 -1.798 -3.310 -0.738 102 HG LEU 22 HG LEU 22 -0.480 -1.880 1.537 103 1HD1 LEU 22 HD11 LEU 22 -0.654 -0.938 -1.311 104 2HD1 LEU 22 HD12 LEU 22 -0.550 0.176 0.056 105 3HD1 LEU 22 HD13 LEU 22 0.752 -0.972 -0.247 106 1HD2 LEU 22 HD21 LEU 22 -3.111 -1.981 0.211 107 2HD2 LEU 22 HD22 LEU 22 -2.690 -1.647 1.893 108 3HD2 LEU 22 HD23 LEU 22 -2.551 -0.371 0.684 109 H ARG 23 HN ARG 23 -0.077 -6.158 -0.628 110 HA ARG 23 HA ARG 23 -2.558 -7.176 -1.637 111 1HB ARG 23 HB2 ARG 23 -0.160 -7.069 -2.722 112 2HB ARG 23 HB3 ARG 23 0.011 -8.641 -1.963 113 1HG ARG 23 HG2 ARG 23 -0.996 -9.542 -3.699 114 2HG ARG 23 HG3 ARG 23 -2.471 -8.671 -3.263 115 1HD ARG 23 HD2 ARG 23 -2.278 -7.490 -5.123 116 2HD ARG 23 HD3 ARG 23 -0.766 -6.816 -4.517 117 HE ARG 23 HE ARG 23 0.250 -8.921 -5.537 118 1HH1 ARG 23 HH12 ARG 23 -2.597 -7.337 -6.812 119 2HH1 ARG 23 HH11 ARG 23 -2.268 -7.791 -8.453 120 1HH2 ARG 23 HH22 ARG 23 0.651 -9.597 -7.689 121 2HH2 ARG 23 HH21 ARG 23 -0.442 -9.109 -8.952 122 H GLU 24 HN GLU 24 -0.139 -8.217 0.673 123 HA GLU 24 HA GLU 24 -1.170 -10.801 1.163 124 1HB GLU 24 HB2 GLU 24 1.050 -9.423 1.947 125 2HB GLU 24 HB3 GLU 24 0.090 -9.367 3.415 126 1HG GLU 24 HG2 GLU 24 1.731 -11.272 3.196 127 2HG GLU 24 HG3 GLU 24 0.078 -11.692 3.645 128 H LEU 25 HN LEU 25 -1.853 -7.609 2.397 129 HA LEU 25 HA LEU 25 -3.629 -8.461 4.480 130 1HB LEU 25 HB2 LEU 25 -2.292 -6.126 3.886 131 2HB LEU 25 HB3 LEU 25 -3.937 -5.734 3.435 132 HG LEU 25 HG LEU 25 -2.737 -5.986 6.067 133 1HD1 LEU 25 HD11 LEU 25 -3.620 -3.918 5.547 134 2HD1 LEU 25 HD12 LEU 25 -5.085 -4.610 4.848 135 3HD1 LEU 25 HD13 LEU 25 -4.850 -4.631 6.594 136 1HD2 LEU 25 HD21 LEU 25 -3.852 -7.855 6.678 137 2HD2 LEU 25 HD22 LEU 25 -5.191 -6.723 6.882 138 3HD2 LEU 25 HD23 LEU 25 -5.056 -7.678 5.402 139 H SER 26 HN SER 26 -3.872 -7.405 1.140 140 HA SER 26 HA SER 26 -6.661 -7.046 1.006 141 1HB SER 26 HB2 SER 26 -5.618 -6.114 -0.834 142 2HB SER 26 HB3 SER 26 -4.450 -7.427 -0.964 143 HG SER 26 HG SER 26 -6.034 -8.698 -1.927 144 H LEU 27 HN LEU 27 -4.633 -9.899 0.608 145 HA LEU 27 HA LEU 27 -6.875 -11.492 -0.254 146 1HB LEU 27 HB2 LEU 27 -3.978 -11.945 0.199 147 2HB LEU 27 HB3 LEU 27 -5.039 -13.341 0.303 148 HG LEU 27 HG LEU 27 -5.958 -12.592 -1.987 149 1HD1 LEU 27 HD11 LEU 27 -3.397 -10.995 -1.840 150 2HD1 LEU 27 HD12 LEU 27 -4.245 -11.372 -3.340 151 3HD1 LEU 27 HD13 LEU 27 -5.032 -10.384 -2.113 152 1HD2 LEU 27 HD21 LEU 27 -3.365 -13.380 -2.774 153 2HD2 LEU 27 HD22 LEU 27 -3.696 -14.164 -1.230 154 3HD2 LEU 27 HD23 LEU 27 -4.800 -14.389 -2.588 155 H ASN 28 HN ASN 28 -5.183 -10.846 2.740 156 HA ASN 28 HA ASN 28 -6.390 -12.960 4.209 157 1HB ASN 28 HB2 ASN 28 -4.338 -11.159 4.697 158 2HB ASN 28 HB3 ASN 28 -5.600 -10.661 5.817 159 1HD2 ASN 28 HD21 ASN 28 -2.919 -12.216 5.908 160 2HD2 ASN 28 HD22 ASN 28 -3.286 -13.541 6.964 161 H LEU 29 HN LEU 29 -6.975 -9.452 4.061 162 HA LEU 29 HA LEU 29 -9.267 -9.459 5.718 163 1HB LEU 29 HB2 LEU 29 -8.210 -7.536 3.657 164 2HB LEU 29 HB3 LEU 29 -9.727 -7.242 4.481 165 HG LEU 29 HG LEU 29 -7.124 -7.620 5.939 166 1HD1 LEU 29 HD11 LEU 29 -6.602 -5.694 4.864 167 2HD1 LEU 29 HD12 LEU 29 -8.291 -5.278 4.566 168 3HD1 LEU 29 HD13 LEU 29 -7.589 -5.011 6.160 169 1HD2 LEU 29 HD21 LEU 29 -8.760 -6.018 7.410 170 2HD2 LEU 29 HD22 LEU 29 -9.910 -7.136 6.674 171 3HD2 LEU 29 HD23 LEU 29 -8.569 -7.756 7.640 172 H GLY 30 HN GLY 30 -8.767 -9.714 2.244 173 1HA GLY 30 HA1 GLY 30 -11.449 -9.554 1.444 174 2HA GLY 30 HA2 GLY 30 -10.166 -10.356 0.551 175 H ASN 31 HN ASN 31 -9.494 -12.384 2.362 176 HA ASN 31 HA ASN 31 -11.570 -14.271 1.842 177 1HB ASN 31 HB2 ASN 31 -9.153 -14.858 1.868 178 2HB ASN 31 HB3 ASN 31 -9.130 -14.576 3.606 179 1HD2 ASN 31 HD21 ASN 31 -9.332 -16.303 4.808 180 2HD2 ASN 31 HD22 ASN 31 -10.121 -17.778 4.347 181 H ARG 32 HN ARG 32 -10.963 -12.086 4.379 182 HA ARG 32 HA ARG 32 -12.428 -13.590 6.392 183 1HB ARG 32 HB2 ARG 32 -10.406 -12.025 6.806 184 2HB ARG 32 HB3 ARG 32 -11.567 -10.717 6.627 185 1HG ARG 32 HG2 ARG 32 -12.570 -11.140 8.603 186 2HG ARG 32 HG3 ARG 32 -12.291 -12.882 8.508 187 1HD ARG 32 HD2 ARG 32 -10.111 -10.863 9.019 188 2HD ARG 32 HD3 ARG 32 -11.009 -11.669 10.302 189 HE ARG 32 HE ARG 32 -10.144 -13.800 9.215 190 1HH1 ARG 32 HH12 ARG 32 -8.390 -10.760 9.219 191 2HH1 ARG 32 HH11 ARG 32 -6.826 -11.527 9.100 192 1HH2 ARG 32 HH22 ARG 32 -8.120 -14.796 9.067 193 2HH2 ARG 32 HH21 ARG 32 -6.675 -13.827 9.001 194 H MET 33 HN MET 33 -13.141 -11.780 3.763 195 HA MET 33 HA MET 33 -15.614 -10.708 4.907 196 1HB MET 33 HB2 MET 33 -13.849 -9.902 2.663 197 2HB MET 33 HB3 MET 33 -15.571 -9.662 2.414 198 1HG MET 33 HG2 MET 33 -15.740 -8.128 4.120 199 2HG MET 33 HG3 MET 33 -14.284 -8.721 4.920 200 1HE MET 33 HE1 MET 33 -13.078 -7.163 5.432 201 2HE MET 33 HE2 MET 33 -11.725 -6.892 4.333 202 3HE MET 33 HE3 MET 33 -12.876 -5.593 4.653 203 H VAL 34 HN VAL 34 -17.600 -10.967 3.589 204 HA VAL 34 HA VAL 34 -17.528 -13.445 1.986 205 HB VAL 34 HB VAL 34 -19.799 -12.665 3.831 206 1HG1 VAL 34 HG11 VAL 34 -20.928 -14.491 3.080 207 2HG1 VAL 34 HG12 VAL 34 -19.949 -14.203 1.642 208 3HG1 VAL 34 HG13 VAL 34 -19.452 -15.423 2.808 209 1HG2 VAL 34 HG21 VAL 34 -18.172 -15.072 4.383 210 2HG2 VAL 34 HG22 VAL 34 -17.436 -13.513 4.757 211 3HG2 VAL 34 HG23 VAL 34 -18.978 -13.967 5.493 212 HA PRO 35 HA PRO 35 -18.004 -14.262 0.342 213 1HB PRO 35 HB2 PRO 35 -17.568 -14.067 -2.303 214 2HB PRO 35 HB3 PRO 35 -19.167 -14.443 -1.646 215 1HG PRO 35 HG2 PRO 35 -18.103 -11.832 -2.654 216 2HG PRO 35 HG3 PRO 35 -19.690 -12.575 -2.930 217 1HD PRO 35 HD2 PRO 35 -19.221 -10.620 -1.065 218 2HD PRO 35 HD3 PRO 35 -20.524 -11.818 -0.939 219 HA PRO 36 HA PRO 36 -13.771 -13.123 0.776 220 1HB PRO 36 HB2 PRO 36 -13.185 -15.349 -1.131 221 2HB PRO 36 HB3 PRO 36 -12.523 -15.029 0.478 222 1HG PRO 36 HG2 PRO 36 -14.341 -16.945 0.090 223 2HG PRO 36 HG3 PRO 36 -14.336 -15.953 1.557 224 1HD PRO 36 HD2 PRO 36 -16.147 -15.843 -0.797 225 2HD PRO 36 HD3 PRO 36 -16.489 -15.503 0.912 226 H VAL 37 HN VAL 37 -12.756 -11.534 -0.153 227 HA VAL 37 HA VAL 37 -12.994 -11.145 -3.048 228 HB VAL 37 HB VAL 37 -11.860 -8.903 -1.602 229 1HG1 VAL 37 HG11 VAL 37 -14.373 -8.326 -2.767 230 2HG1 VAL 37 HG12 VAL 37 -12.768 -7.937 -3.383 231 3HG1 VAL 37 HG13 VAL 37 -13.538 -9.460 -3.830 232 1HG2 VAL 37 HG21 VAL 37 -14.002 -8.264 -0.490 233 2HG2 VAL 37 HG22 VAL 37 -14.580 -9.905 -0.769 234 3HG2 VAL 37 HG23 VAL 37 -13.176 -9.629 0.266 235 H GLY 38 HN GLY 38 -11.295 -12.129 -4.026 236 1HA GLY 38 HA1 GLY 38 -8.680 -12.266 -2.890 237 2HA GLY 38 HA2 GLY 38 -9.106 -12.612 -4.566 238 H ASN 39 HN ASN 39 -10.349 -10.049 -4.987 239 HA ASN 39 HA ASN 39 -7.977 -8.335 -5.197 240 1HB ASN 39 HB2 ASN 39 -9.258 -9.068 -7.328 241 2HB ASN 39 HB3 ASN 39 -10.534 -7.985 -6.778 242 1HD2 ASN 39 HD21 ASN 39 -7.229 -8.197 -7.870 243 2HD2 ASN 39 HD22 ASN 39 -7.077 -6.535 -8.337 244 H PHE 40 HN PHE 40 -8.568 -8.085 -2.865 245 HA PHE 40 HA PHE 40 -10.852 -6.731 -1.987 246 1HB PHE 40 HB2 PHE 40 -9.422 -7.937 -0.476 247 2HB PHE 40 HB3 PHE 40 -8.039 -6.955 -0.916 248 HD1 PHE 40 HD1 PHE 40 -7.312 -5.729 0.816 249 HD2 PHE 40 HD2 PHE 40 -11.507 -6.164 0.261 250 HE1 PHE 40 HE1 PHE 40 -7.693 -4.298 2.774 251 HE2 PHE 40 HE2 PHE 40 -11.919 -4.723 2.213 252 HZ PHE 40 HZ PHE 40 -10.013 -3.783 3.476 253 H MET 41 HN MET 41 -7.697 -5.573 -3.050 254 HA MET 41 HA MET 41 -8.889 -2.941 -3.516 255 1HB MET 41 HB2 MET 41 -7.373 -3.052 -1.433 256 2HB MET 41 HB3 MET 41 -6.046 -3.253 -2.567 257 1HG MET 41 HG2 MET 41 -6.411 -0.924 -1.763 258 2HG MET 41 HG3 MET 41 -6.410 -1.118 -3.516 259 1HE MET 41 HE1 MET 41 -8.330 -0.468 -0.332 260 2HE MET 41 HE2 MET 41 -8.016 1.111 -1.056 261 3HE MET 41 HE3 MET 41 -9.675 0.528 -0.879 262 HA PRO 42 HA PRO 42 -7.539 -3.837 -7.649 263 1HB PRO 42 HB2 PRO 42 -7.201 -0.880 -7.775 264 2HB PRO 42 HB3 PRO 42 -8.063 -1.962 -8.876 265 1HG PRO 42 HG2 PRO 42 -9.411 -0.446 -7.162 266 2HG PRO 42 HG3 PRO 42 -9.920 -2.119 -7.472 267 1HD PRO 42 HD2 PRO 42 -8.456 -0.980 -5.121 268 2HD PRO 42 HD3 PRO 42 -9.695 -2.252 -5.167 269 H ASP 43 HN ASP 43 -5.685 -4.198 -8.631 270 HA ASP 43 HA ASP 43 -3.214 -4.063 -7.409 271 1HB ASP 43 HB2 ASP 43 -4.008 -5.383 -9.476 272 2HB ASP 43 HB3 ASP 43 -3.582 -3.950 -10.401 273 H SER 44 HN SER 44 -4.625 -1.811 -9.747 274 HA SER 44 HA SER 44 -2.379 -0.146 -10.031 275 1HB SER 44 HB2 SER 44 -4.725 1.378 -10.426 276 2HB SER 44 HB3 SER 44 -3.735 0.593 -11.657 277 HG SER 44 HG SER 44 -5.496 -0.527 -11.981 278 H ILE 45 HN ILE 45 -5.270 0.149 -7.970 279 HA ILE 45 HA ILE 45 -4.559 2.606 -6.793 280 HB ILE 45 HB ILE 45 -6.297 0.417 -5.633 281 1HG1 ILE 45 HG12 ILE 45 -6.836 1.519 -7.936 282 2HG1 ILE 45 HG13 ILE 45 -8.111 1.338 -6.738 283 1HG2 ILE 45 HG21 ILE 45 -7.291 2.723 -4.625 284 2HG2 ILE 45 HG22 ILE 45 -6.146 1.684 -3.778 285 3HG2 ILE 45 HG23 ILE 45 -5.568 3.100 -4.664 286 1HD1 ILE 45 HD11 ILE 45 -6.833 3.858 -6.352 287 2HD1 ILE 45 HD12 ILE 45 -7.258 3.670 -8.053 288 3HD1 ILE 45 HD13 ILE 45 -8.502 3.513 -6.814 289 H LEU 46 HN LEU 46 -3.804 -0.721 -5.927 290 HA LEU 46 HA LEU 46 -2.719 -0.184 -3.377 291 1HB LEU 46 HB2 LEU 46 -2.123 -2.357 -5.380 292 2HB LEU 46 HB3 LEU 46 -1.427 -2.312 -3.771 293 HG LEU 46 HG LEU 46 -4.396 -2.346 -4.217 294 1HD1 LEU 46 HD11 LEU 46 -2.545 -4.708 -3.915 295 2HD1 LEU 46 HD12 LEU 46 -4.307 -4.767 -3.857 296 3HD1 LEU 46 HD13 LEU 46 -3.490 -4.289 -5.345 297 1HD2 LEU 46 HD21 LEU 46 -3.617 -3.702 -1.890 298 2HD2 LEU 46 HD22 LEU 46 -2.670 -2.213 -1.935 299 3HD2 LEU 46 HD23 LEU 46 -4.431 -2.143 -2.013 300 H LYS 47 HN LYS 47 -1.321 -0.176 -6.607 301 HA LYS 47 HA LYS 47 1.353 0.074 -5.786 302 1HB LYS 47 HB2 LYS 47 -0.138 0.463 -8.333 303 2HB LYS 47 HB3 LYS 47 1.511 1.069 -8.221 304 1HG LYS 47 HG2 LYS 47 2.390 -1.068 -7.872 305 2HG LYS 47 HG3 LYS 47 0.822 -1.738 -7.443 306 1HD LYS 47 HD2 LYS 47 0.093 -1.782 -9.667 307 2HD LYS 47 HD3 LYS 47 1.336 -0.645 -10.196 308 1HE LYS 47 HE2 LYS 47 2.856 -2.265 -10.478 309 2HE LYS 47 HE3 LYS 47 2.410 -3.073 -8.979 310 1HZ LYS 47 HZ1 LYS 47 0.362 -3.832 -10.325 311 2HZ LYS 47 HZ2 LYS 47 1.850 -4.603 -10.598 312 3HZ LYS 47 HZ3 LYS 47 1.294 -3.427 -11.685 313 H LYS 48 HN LYS 48 -0.986 2.596 -6.779 314 HA LYS 48 HA LYS 48 0.918 4.697 -6.507 315 1HB LYS 48 HB2 LYS 48 -1.254 6.131 -6.346 316 2HB LYS 48 HB3 LYS 48 -0.819 5.367 -7.859 317 1HG LYS 48 HG2 LYS 48 -2.365 3.479 -7.190 318 2HG LYS 48 HG3 LYS 48 -2.935 4.539 -5.902 319 1HD LYS 48 HD2 LYS 48 -4.227 5.669 -7.317 320 2HD LYS 48 HD3 LYS 48 -2.875 5.936 -8.421 321 1HE LYS 48 HE2 LYS 48 -3.396 3.331 -8.903 322 2HE LYS 48 HE3 LYS 48 -5.009 3.898 -8.475 323 1HZ LYS 48 HZ1 LYS 48 -4.182 5.805 -10.185 324 2HZ LYS 48 HZ2 LYS 48 -5.110 4.452 -10.625 325 3HZ LYS 48 HZ3 LYS 48 -3.429 4.433 -10.841 326 H MET 49 HN MET 49 -1.511 3.338 -4.367 327 HA MET 49 HA MET 49 -1.260 5.270 -2.322 328 1HB MET 49 HB2 MET 49 -2.974 4.141 -1.412 329 2HB MET 49 HB3 MET 49 -2.920 3.102 -2.824 330 1HG MET 49 HG2 MET 49 -2.049 1.365 -1.685 331 2HG MET 49 HG3 MET 49 -1.091 2.397 -0.625 332 1HE MET 49 HE1 MET 49 -4.792 1.431 -1.510 333 2HE MET 49 HE2 MET 49 -4.004 0.026 -0.788 334 3HE MET 49 HE3 MET 49 -5.317 0.833 0.065 335 H ALA 50 HN ALA 50 0.527 2.363 -3.102 336 HA ALA 50 HA ALA 50 1.961 2.255 -0.602 337 1HB ALA 50 HB1 ALA 50 1.887 0.694 -3.092 338 2HB ALA 50 HB2 ALA 50 3.473 0.780 -2.330 339 3HB ALA 50 HB3 ALA 50 2.092 0.159 -1.423 340 H ALA 51 HN ALA 51 2.377 3.791 -3.700 341 HA ALA 51 HA ALA 51 5.160 4.358 -3.346 342 1HB ALA 51 HB1 ALA 51 3.274 4.517 -5.435 343 2HB ALA 51 HB2 ALA 51 3.995 6.117 -5.245 344 3HB ALA 51 HB3 ALA 51 5.024 4.712 -5.519 345 H ILE 52 HN ILE 52 2.156 6.130 -2.794 346 HA ILE 52 HA ILE 52 3.698 8.488 -1.987 347 HB ILE 52 HB ILE 52 0.852 7.986 -2.708 348 1HG1 ILE 52 HG12 ILE 52 1.683 10.432 -3.706 349 2HG1 ILE 52 HG13 ILE 52 3.148 9.450 -3.750 350 1HG2 ILE 52 HG21 ILE 52 0.897 10.643 -1.932 351 2HG2 ILE 52 HG22 ILE 52 0.057 9.316 -1.131 352 3HG2 ILE 52 HG23 ILE 52 1.678 9.780 -0.606 353 1HD1 ILE 52 HD11 ILE 52 1.645 7.686 -4.874 354 2HD1 ILE 52 HD12 ILE 52 0.557 9.044 -5.168 355 3HD1 ILE 52 HD13 ILE 52 2.201 9.066 -5.813 356 H LEU 53 HN LEU 53 1.553 6.055 -0.690 357 HA LEU 53 HA LEU 53 0.945 5.441 1.389 358 1HB LEU 53 HB2 LEU 53 3.601 6.711 1.860 359 2HB LEU 53 HB3 LEU 53 2.630 6.203 3.227 360 HG LEU 53 HG LEU 53 3.322 4.325 0.984 361 1HD1 LEU 53 HD11 LEU 53 5.005 5.348 3.133 362 2HD1 LEU 53 HD12 LEU 53 4.885 3.588 3.096 363 3HD1 LEU 53 HD13 LEU 53 5.439 4.461 1.669 364 1HD2 LEU 53 HD21 LEU 53 3.057 2.972 3.385 365 2HD2 LEU 53 HD22 LEU 53 1.789 4.198 3.431 366 3HD2 LEU 53 HD23 LEU 53 1.861 3.062 2.089 367 HA PRO 54 HA PRO 54 -0.958 9.552 2.234 368 1HB PRO 54 HB2 PRO 54 -3.508 8.245 1.887 369 2HB PRO 54 HB3 PRO 54 -2.801 9.547 0.929 370 1HG PRO 54 HG2 PRO 54 -3.192 7.010 -0.012 371 2HG PRO 54 HG3 PRO 54 -1.945 8.103 -0.623 372 1HD PRO 54 HD2 PRO 54 -1.699 5.834 1.311 373 2HD PRO 54 HD3 PRO 54 -0.600 6.324 0.001 374 H MET 55 HN MET 55 -0.647 9.707 4.394 375 HA MET 55 HA MET 55 -1.840 7.792 6.224 376 1HB MET 55 HB2 MET 55 0.119 10.005 6.423 377 2HB MET 55 HB3 MET 55 -0.866 9.730 7.851 378 1HG MET 55 HG2 MET 55 -0.131 7.203 7.328 379 2HG MET 55 HG3 MET 55 1.257 8.062 6.667 380 1HE MET 55 HE1 MET 55 -0.831 9.590 9.532 381 2HE MET 55 HE2 MET 55 -1.071 7.885 9.904 382 3HE MET 55 HE3 MET 55 -0.117 8.894 10.990 383 H ASN 56 HN ASN 56 -2.784 10.586 4.659 384 HA ASN 56 HA ASN 56 -4.988 10.965 6.561 385 1HB ASN 56 HB2 ASN 56 -3.148 12.850 6.340 386 2HB ASN 56 HB3 ASN 56 -4.067 13.260 4.896 387 1HD2 ASN 56 HD21 ASN 56 -4.014 15.193 6.619 388 2HD2 ASN 56 HD22 ASN 56 -5.483 15.318 7.535 389 H ASP 57 HN ASP 57 -6.972 11.668 5.644 390 HA ASP 57 HA ASP 57 -7.644 10.323 3.241 391 1HB ASP 57 HB2 ASP 57 -9.014 11.437 5.423 392 2HB ASP 57 HB3 ASP 57 -9.608 12.293 4.002 393 H SER 58 HN SER 58 -6.716 13.610 3.947 394 HA SER 58 HA SER 58 -7.732 14.815 1.593 395 1HB SER 58 HB2 SER 58 -5.267 15.972 2.684 396 2HB SER 58 HB3 SER 58 -6.853 16.712 2.452 397 HG SER 58 HG SER 58 -7.424 16.160 4.431 398 H ALA 59 HN ALA 59 -4.852 13.019 2.347 399 HA ALA 59 HA ALA 59 -3.398 13.702 -0.017 400 1HB ALA 59 HB1 ALA 59 -2.013 13.001 1.723 401 2HB ALA 59 HB2 ALA 59 -3.055 11.636 2.132 402 3HB ALA 59 HB3 ALA 59 -2.074 11.589 0.668 403 H PHE 60 HN PHE 60 -5.804 11.400 0.849 404 HA PHE 60 HA PHE 60 -5.411 9.437 -1.078 405 1HB PHE 60 HB2 PHE 60 -7.622 10.290 0.673 406 2HB PHE 60 HB3 PHE 60 -8.121 9.402 -0.763 407 HD1 PHE 60 HD1 PHE 60 -8.403 8.513 2.109 408 HD2 PHE 60 HD2 PHE 60 -5.369 7.827 -0.784 409 HE1 PHE 60 HE1 PHE 60 -7.824 6.415 3.229 410 HE2 PHE 60 HE2 PHE 60 -4.782 5.717 0.333 411 HZ PHE 60 HZ PHE 60 -5.931 5.007 2.285 412 H ALA 61 HN ALA 61 -6.806 12.621 -1.380 413 HA ALA 61 HA ALA 61 -8.265 12.182 -3.770 414 1HB ALA 61 HB1 ALA 61 -7.714 14.805 -3.923 415 2HB ALA 61 HB2 ALA 61 -8.967 14.131 -2.880 416 3HB ALA 61 HB3 ALA 61 -7.379 14.525 -2.216 417 H THR 62 HN THR 62 -4.879 12.736 -3.171 418 HA THR 62 HA THR 62 -4.308 13.463 -5.900 419 HB THR 62 HB THR 62 -1.917 12.819 -4.746 420 HG1 THR 62 HG1 THR 62 -2.748 12.718 -2.671 421 1HG2 THR 62 HG21 THR 62 -3.026 15.563 -4.534 422 2HG2 THR 62 HG22 THR 62 -2.848 14.828 -6.129 423 3HG2 THR 62 HG23 THR 62 -1.438 15.033 -5.088 424 H LEU 63 HN LEU 63 -4.931 10.557 -4.390 425 HA LEU 63 HA LEU 63 -3.044 8.855 -5.664 426 1HB LEU 63 HB2 LEU 63 -5.753 8.465 -4.437 427 2HB LEU 63 HB3 LEU 63 -5.057 7.172 -5.390 428 HG LEU 63 HG LEU 63 -3.959 8.354 -2.847 429 1HD1 LEU 63 HD11 LEU 63 -4.464 5.466 -3.248 430 2HD1 LEU 63 HD12 LEU 63 -4.633 6.456 -1.801 431 3HD1 LEU 63 HD13 LEU 63 -5.873 6.510 -3.058 432 1HD2 LEU 63 HD21 LEU 63 -2.693 6.655 -4.932 433 2HD2 LEU 63 HD22 LEU 63 -1.989 7.901 -3.897 434 3HD2 LEU 63 HD23 LEU 63 -2.358 6.311 -3.231 435 H GLY 64 HN GLY 64 -6.130 10.220 -6.488 436 1HA GLY 64 HA1 GLY 64 -6.156 10.648 -9.039 437 2HA GLY 64 HA2 GLY 64 -6.133 8.890 -9.101 438 H THR 65 HN THR 65 -7.769 11.057 -6.867 439 HA THR 65 HA THR 65 -9.889 11.151 -6.089 440 HB THR 65 HB THR 65 -11.391 10.848 -8.458 441 HG1 THR 65 HG1 THR 65 -9.902 11.350 -9.901 442 1HG2 THR 65 HG21 THR 65 -11.134 12.606 -6.323 443 2HG2 THR 65 HG22 THR 65 -12.287 12.725 -7.653 444 3HG2 THR 65 HG23 THR 65 -10.745 13.573 -7.746 445 H VAL 66 HN VAL 66 -9.671 9.088 -5.035 446 HA VAL 66 HA VAL 66 -10.646 6.709 -6.263 447 HB VAL 66 HB VAL 66 -10.675 5.774 -3.945 448 1HG1 VAL 66 HG11 VAL 66 -8.381 5.477 -3.839 449 2HG1 VAL 66 HG12 VAL 66 -8.661 5.870 -5.535 450 3HG1 VAL 66 HG13 VAL 66 -8.035 7.100 -4.435 451 1HG2 VAL 66 HG21 VAL 66 -10.532 7.030 -2.117 452 2HG2 VAL 66 HG22 VAL 66 -9.134 7.909 -2.739 453 3HG2 VAL 66 HG23 VAL 66 -10.765 8.432 -3.162 454 H GLU 67 HN GLU 67 -12.653 5.756 -6.140 455 HA GLU 67 HA GLU 67 -14.884 7.443 -5.724 456 1HB GLU 67 HB2 GLU 67 -14.466 4.569 -6.391 457 2HB GLU 67 HB3 GLU 67 -16.037 5.038 -5.777 458 1HG GLU 67 HG2 GLU 67 -16.627 5.840 -7.746 459 2HG GLU 67 HG3 GLU 67 -15.201 6.868 -7.810 460 H ASP 68 HN ASP 68 -16.623 7.111 -4.150 461 HA ASP 68 HA ASP 68 -15.669 7.027 -1.512 462 1HB ASP 68 HB2 ASP 68 -18.019 7.792 -2.678 463 2HB ASP 68 HB3 ASP 68 -18.509 6.340 -1.809 464 H LYS 69 HN LYS 69 -17.078 4.501 -3.538 465 HA LYS 69 HA LYS 69 -17.430 2.611 -1.466 466 1HB LYS 69 HB2 LYS 69 -17.798 0.991 -3.159 467 2HB LYS 69 HB3 LYS 69 -18.451 2.502 -3.773 468 1HG LYS 69 HG2 LYS 69 -15.713 2.223 -4.572 469 2HG LYS 69 HG3 LYS 69 -16.632 0.780 -5.013 470 1HD LYS 69 HD2 LYS 69 -18.351 2.807 -5.699 471 2HD LYS 69 HD3 LYS 69 -16.776 3.501 -6.087 472 1HE LYS 69 HE2 LYS 69 -16.256 1.438 -7.375 473 2HE LYS 69 HE3 LYS 69 -17.910 0.897 -7.096 474 1HZ LYS 69 HZ1 LYS 69 -18.483 3.201 -8.127 475 2HZ LYS 69 HZ2 LYS 69 -18.092 1.889 -9.126 476 3HZ LYS 69 HZ3 LYS 69 -16.920 3.078 -8.791 477 H TYR 70 HN TYR 70 -14.623 3.646 -3.218 478 HA TYR 70 HA TYR 70 -13.012 1.353 -2.555 479 1HB TYR 70 HB2 TYR 70 -12.381 4.077 -3.695 480 2HB TYR 70 HB3 TYR 70 -11.112 2.943 -3.251 481 HD1 TYR 70 HD1 TYR 70 -14.153 3.248 -5.378 482 HD2 TYR 70 HD2 TYR 70 -10.419 1.305 -4.772 483 HE1 TYR 70 HE1 TYR 70 -14.372 2.155 -7.571 484 HE2 TYR 70 HE2 TYR 70 -10.629 0.209 -6.964 485 HH TYR 70 HH TYR 70 -13.479 0.767 -9.041 486 H ARG 71 HN ARG 71 -13.753 4.471 -1.230 487 HA ARG 71 HA ARG 71 -11.753 4.566 0.765 488 1HB ARG 71 HB2 ARG 71 -14.430 5.943 0.535 489 2HB ARG 71 HB3 ARG 71 -13.289 6.261 1.839 490 1HG ARG 71 HG2 ARG 71 -11.726 6.554 -0.382 491 2HG ARG 71 HG3 ARG 71 -13.285 7.197 -0.922 492 1HD ARG 71 HD2 ARG 71 -12.205 7.993 1.740 493 2HD ARG 71 HD3 ARG 71 -11.537 8.731 0.286 494 HE ARG 71 HE ARG 71 -13.804 9.518 -0.229 495 1HH1 ARG 71 HH12 ARG 71 -13.100 8.489 3.054 496 2HH1 ARG 71 HH11 ARG 71 -14.379 9.428 3.774 497 1HH2 ARG 71 HH22 ARG 71 -15.510 10.773 0.722 498 2HH2 ARG 71 HH21 ARG 71 -15.754 10.717 2.444 499 H ARG 72 HN ARG 72 -14.883 3.119 0.496 500 HA ARG 72 HA ARG 72 -15.655 2.628 3.089 501 1HB ARG 72 HB2 ARG 72 -15.863 0.891 0.645 502 2HB ARG 72 HB3 ARG 72 -16.690 0.537 2.159 503 1HG ARG 72 HG2 ARG 72 -17.022 3.216 0.924 504 2HG ARG 72 HG3 ARG 72 -17.874 1.828 0.255 505 1HD ARG 72 HD2 ARG 72 -17.909 2.364 3.184 506 2HD ARG 72 HD3 ARG 72 -19.002 3.247 2.106 507 HE ARG 72 HE ARG 72 -18.954 0.293 2.238 508 1HH1 ARG 72 HH12 ARG 72 -20.653 3.341 2.187 509 2HH1 ARG 72 HH11 ARG 72 -22.238 2.625 2.200 510 1HH2 ARG 72 HH22 ARG 72 -21.030 -0.699 2.200 511 2HH2 ARG 72 HH21 ARG 72 -22.453 0.306 2.201 512 H ARG 73 HN ARG 73 -13.692 0.427 1.078 513 HA ARG 73 HA ARG 73 -13.002 -1.094 3.459 514 1HB ARG 73 HB2 ARG 73 -12.011 -2.714 1.997 515 2HB ARG 73 HB3 ARG 73 -13.560 -2.253 1.311 516 1HG ARG 73 HG2 ARG 73 -11.135 -0.821 0.393 517 2HG ARG 73 HG3 ARG 73 -11.410 -2.472 -0.171 518 1HD ARG 73 HD2 ARG 73 -13.817 -0.883 -0.284 519 2HD ARG 73 HD3 ARG 73 -12.501 -0.139 -1.202 520 HE ARG 73 HE ARG 73 -12.303 -2.587 -2.126 521 1HH1 ARG 73 HH12 ARG 73 -15.222 -0.731 -1.574 522 2HH1 ARG 73 HH11 ARG 73 -16.129 -1.555 -2.800 523 1HH2 ARG 73 HH22 ARG 73 -13.447 -3.583 -3.837 524 2HH2 ARG 73 HH21 ARG 73 -15.116 -3.152 -4.110 525 H PHE 74 HN PHE 74 -11.951 1.644 2.033 526 HA PHE 74 HA PHE 74 -9.124 1.324 2.044 527 1HB PHE 74 HB2 PHE 74 -10.962 3.452 1.596 528 2HB PHE 74 HB3 PHE 74 -9.788 3.994 2.788 529 HD1 PHE 74 HD1 PHE 74 -10.273 4.897 -0.153 530 HD2 PHE 74 HD2 PHE 74 -7.479 2.286 1.709 531 HE1 PHE 74 HE1 PHE 74 -8.656 5.350 -1.947 532 HE2 PHE 74 HE2 PHE 74 -5.854 2.730 -0.082 533 HZ PHE 74 HZ PHE 74 -6.438 4.266 -1.917 534 H LYS 75 HN LYS 75 -11.481 2.101 4.485 535 HA LYS 75 HA LYS 75 -9.799 2.963 6.556 536 1HB LYS 75 HB2 LYS 75 -11.669 2.397 8.037 537 2HB LYS 75 HB3 LYS 75 -12.195 3.275 6.611 538 1HG LYS 75 HG2 LYS 75 -12.942 1.157 5.584 539 2HG LYS 75 HG3 LYS 75 -12.449 0.306 7.061 540 1HD LYS 75 HD2 LYS 75 -14.824 0.717 7.172 541 2HD LYS 75 HD3 LYS 75 -14.011 1.738 8.360 542 1HE LYS 75 HE2 LYS 75 -14.256 3.670 6.994 543 2HE LYS 75 HE3 LYS 75 -14.782 2.707 5.614 544 1HZ LYS 75 HZ1 LYS 75 -16.312 3.664 7.876 545 2HZ LYS 75 HZ2 LYS 75 -16.607 2.042 7.470 546 3HZ LYS 75 HZ3 LYS 75 -16.820 3.259 6.309 547 H TYR 76 HN TYR 76 -10.415 -0.229 5.315 548 HA TYR 76 HA TYR 76 -9.501 -1.611 7.678 549 1HB TYR 76 HB2 TYR 76 -9.872 -2.582 4.836 550 2HB TYR 76 HB3 TYR 76 -9.535 -3.615 6.221 551 HD1 TYR 76 HD1 TYR 76 -12.075 -2.417 4.151 552 HD2 TYR 76 HD2 TYR 76 -11.243 -3.272 8.239 553 HE1 TYR 76 HE1 TYR 76 -14.486 -2.604 4.608 554 HE2 TYR 76 HE2 TYR 76 -13.652 -3.461 8.693 555 HH TYR 76 HH TYR 76 -15.865 -2.315 7.347 556 H PHE 77 HN PHE 77 -7.983 0.115 5.241 557 HA PHE 77 HA PHE 77 -5.465 -1.393 5.487 558 1HB PHE 77 HB2 PHE 77 -6.638 0.392 3.401 559 2HB PHE 77 HB3 PHE 77 -4.899 0.382 3.584 560 HD1 PHE 77 HD1 PHE 77 -7.203 -0.697 1.502 561 HD2 PHE 77 HD2 PHE 77 -4.214 -2.386 4.014 562 HE1 PHE 77 HE1 PHE 77 -7.068 -2.650 0.020 563 HE2 PHE 77 HE2 PHE 77 -4.082 -4.347 2.535 564 HZ PHE 77 HZ PHE 77 -5.501 -4.476 0.531 565 H LYS 78 HN LYS 78 -7.088 1.463 6.411 566 HA LYS 78 HA LYS 78 -5.205 3.432 6.505 567 1HB LYS 78 HB2 LYS 78 -7.745 3.006 7.582 568 2HB LYS 78 HB3 LYS 78 -6.732 3.463 8.945 569 1HG LYS 78 HG2 LYS 78 -7.310 5.537 8.296 570 2HG LYS 78 HG3 LYS 78 -5.948 5.321 7.195 571 1HD LYS 78 HD2 LYS 78 -7.611 4.447 5.508 572 2HD LYS 78 HD3 LYS 78 -8.883 4.990 6.599 573 1HE LYS 78 HE2 LYS 78 -6.795 6.970 5.994 574 2HE LYS 78 HE3 LYS 78 -7.821 6.514 4.638 575 1HZ LYS 78 HZ1 LYS 78 -8.426 8.108 6.956 576 2HZ LYS 78 HZ2 LYS 78 -9.587 6.913 6.665 577 3HZ LYS 78 HZ3 LYS 78 -9.204 8.046 5.448 578 H ALA 79 HN ALA 79 -5.427 0.720 8.785 579 HA ALA 79 HA ALA 79 -3.588 1.865 10.650 580 1HB ALA 79 HB1 ALA 79 -3.849 -1.080 10.490 581 2HB ALA 79 HB2 ALA 79 -3.891 -0.011 11.892 582 3HB ALA 79 HB3 ALA 79 -5.308 -0.157 10.854 583 H THR 80 HN THR 80 -3.288 -0.253 7.874 584 HA THR 80 HA THR 80 -0.520 -0.823 8.311 585 HB THR 80 HB THR 80 -1.571 -1.164 5.588 586 HG1 THR 80 HG1 THR 80 -2.713 -2.816 7.580 587 1HG2 THR 80 HG21 THR 80 -0.271 -3.012 5.634 588 2HG2 THR 80 HG22 THR 80 -0.851 -3.497 7.226 589 3HG2 THR 80 HG23 THR 80 0.425 -2.287 7.085 590 H ILE 81 HN ILE 81 -2.335 1.353 6.152 591 HA ILE 81 HA ILE 81 -0.141 2.286 4.672 592 HB ILE 81 HB ILE 81 -2.565 3.944 5.390 593 1HG1 ILE 81 HG12 ILE 81 -2.346 2.224 2.938 594 2HG1 ILE 81 HG13 ILE 81 -3.017 1.586 4.436 595 1HG2 ILE 81 HG21 ILE 81 -0.375 4.192 3.416 596 2HG2 ILE 81 HG22 ILE 81 -1.996 4.586 2.844 597 3HG2 ILE 81 HG23 ILE 81 -1.319 5.444 4.228 598 1HD1 ILE 81 HD11 ILE 81 -4.988 2.494 3.956 599 2HD1 ILE 81 HD12 ILE 81 -4.249 4.093 3.857 600 3HD1 ILE 81 HD13 ILE 81 -4.324 3.062 2.426 601 H ALA 82 HN ALA 82 -1.388 3.219 7.818 602 HA ALA 82 HA ALA 82 0.240 5.559 8.098 603 1HB ALA 82 HB1 ALA 82 -1.244 3.945 10.173 604 2HB ALA 82 HB2 ALA 82 -0.517 5.530 10.441 605 3HB ALA 82 HB3 ALA 82 -1.863 5.352 9.312 606 H ASP 83 HN ASP 83 0.629 2.168 8.730 607 HA ASP 83 HA ASP 83 2.918 2.484 10.470 608 1HB ASP 83 HB2 ASP 83 1.126 0.527 10.292 609 2HB ASP 83 HB3 ASP 83 2.294 -0.105 9.132 610 H LEU 84 HN LEU 84 2.358 1.363 7.162 611 HA LEU 84 HA LEU 84 5.014 0.753 6.532 612 1HB LEU 84 HB2 LEU 84 2.792 1.647 4.700 613 2HB LEU 84 HB3 LEU 84 4.292 0.894 4.187 614 HG LEU 84 HG LEU 84 2.533 -0.539 6.128 615 1HD1 LEU 84 HD11 LEU 84 0.837 -0.446 4.673 616 2HD1 LEU 84 HD12 LEU 84 1.861 0.165 3.377 617 3HD1 LEU 84 HD13 LEU 84 1.800 -1.566 3.705 618 1HD2 LEU 84 HD21 LEU 84 4.002 -2.157 5.769 619 2HD2 LEU 84 HD22 LEU 84 3.691 -2.099 4.032 620 3HD2 LEU 84 HD23 LEU 84 4.925 -1.056 4.744 621 H SER 85 HN SER 85 3.342 3.841 6.581 622 HA SER 85 HA SER 85 5.191 5.230 4.939 623 1HB SER 85 HB2 SER 85 4.133 7.193 6.478 624 2HB SER 85 HB3 SER 85 3.311 6.492 5.084 625 HG SER 85 HG SER 85 1.974 5.426 6.370 626 H LYS 86 HN LYS 86 5.166 4.349 8.307 627 HA LYS 86 HA LYS 86 7.364 6.166 8.923 628 1HB LYS 86 HB2 LYS 86 5.304 4.912 10.439 629 2HB LYS 86 HB3 LYS 86 6.854 4.367 11.062 630 1HG LYS 86 HG2 LYS 86 7.320 6.353 11.975 631 2HG LYS 86 HG3 LYS 86 6.758 7.240 10.556 632 1HD LYS 86 HD2 LYS 86 4.831 5.944 12.455 633 2HD LYS 86 HD3 LYS 86 5.488 7.552 12.761 634 1HE LYS 86 HE2 LYS 86 4.165 8.497 11.233 635 2HE LYS 86 HE3 LYS 86 4.551 7.264 10.033 636 1HZ LYS 86 HZ1 LYS 86 2.408 7.255 12.063 637 2HZ LYS 86 HZ2 LYS 86 2.980 5.796 11.416 638 3HZ LYS 86 HZ3 LYS 86 2.297 6.968 10.394 639 H LYS 87 HN LYS 87 7.083 3.218 7.530 640 HA LYS 87 HA LYS 87 9.637 2.257 8.634 641 1HB LYS 87 HB2 LYS 87 7.650 0.663 7.019 642 2HB LYS 87 HB3 LYS 87 9.012 0.055 7.953 643 1HG LYS 87 HG2 LYS 87 7.019 1.607 9.461 644 2HG LYS 87 HG3 LYS 87 6.455 0.061 8.829 645 1HD LYS 87 HD2 LYS 87 7.318 -0.746 10.745 646 2HD LYS 87 HD3 LYS 87 8.851 -0.655 9.879 647 1HE LYS 87 HE2 LYS 87 8.692 1.863 10.823 648 2HE LYS 87 HE3 LYS 87 7.827 0.988 12.092 649 1HZ LYS 87 HZ1 LYS 87 10.142 1.094 12.634 650 2HZ LYS 87 HZ2 LYS 87 10.587 0.471 11.123 651 3HZ LYS 87 HZ3 LYS 87 9.770 -0.511 12.239 652 H ARG 88 HN ARG 88 7.920 3.180 5.733 653 HA ARG 88 HA ARG 88 10.043 2.355 3.958 654 1HB ARG 88 HB2 ARG 88 7.366 2.775 3.644 655 2HB ARG 88 HB3 ARG 88 8.032 4.255 2.963 656 1HG ARG 88 HG2 ARG 88 9.599 2.384 1.780 657 2HG ARG 88 HG3 ARG 88 8.070 1.513 1.932 658 1HD ARG 88 HD2 ARG 88 8.144 2.665 -0.184 659 2HD ARG 88 HD3 ARG 88 6.913 3.393 0.845 660 HE ARG 88 HE ARG 88 9.507 4.679 0.930 661 1HH1 ARG 88 HH12 ARG 88 6.361 4.561 -0.599 662 2HH1 ARG 88 HH11 ARG 88 6.420 6.204 -1.154 663 1HH2 ARG 88 HH22 ARG 88 9.624 6.822 0.138 664 2HH2 ARG 88 HH21 ARG 88 8.280 7.497 -0.726 665 H SER 89 HN SER 89 9.759 4.870 6.067 666 HA SER 89 HA SER 89 10.712 7.021 4.426 667 1HB SER 89 HB2 SER 89 11.390 7.528 7.115 668 2HB SER 89 HB3 SER 89 9.972 8.121 6.249 669 HG SER 89 HG SER 89 9.154 7.021 7.944 670 H SER 90 HN SER 90 12.090 4.535 6.448 671 HA SER 90 HA SER 90 14.794 5.557 6.004 672 1HB SER 90 HB2 SER 90 14.239 3.145 7.672 673 2HB SER 90 HB3 SER 90 15.416 4.440 7.921 674 HG SER 90 HG SER 90 13.602 5.819 8.418 675 H GLU 91 HN GLU 91 15.516 4.914 4.071 676 HA GLU 91 HA GLU 91 15.182 2.095 3.293 677 1HB GLU 91 HB2 GLU 91 14.240 3.899 1.785 678 2HB GLU 91 HB3 GLU 91 15.890 4.438 1.509 679 1HG GLU 91 HG2 GLU 91 15.251 3.090 -0.327 680 2HG GLU 91 HG3 GLU 91 16.400 2.163 0.631 Start of MODEL 14 1 H GLU 11 HN GLU 11 16.170 -2.788 2.714 2 HA GLU 11 HA GLU 11 15.191 -0.773 2.815 3 1HB GLU 11 HB2 GLU 11 18.006 0.019 2.723 4 2HB GLU 11 HB3 GLU 11 16.819 1.264 2.381 5 1HG GLU 11 HG2 GLU 11 17.481 -0.085 4.900 6 2HG GLU 11 HG3 GLU 11 16.879 1.543 4.606 7 H LEU 12 HN LEU 12 17.012 -1.704 0.083 8 HA LEU 12 HA LEU 12 16.222 0.303 -1.743 9 1HB LEU 12 HB2 LEU 12 16.842 -2.538 -2.504 10 2HB LEU 12 HB3 LEU 12 17.120 -1.078 -3.435 11 HG LEU 12 HG LEU 12 18.570 -1.232 -0.870 12 1HD1 LEU 12 HD11 LEU 12 19.757 -2.811 -3.092 13 2HD1 LEU 12 HD12 LEU 12 20.012 -2.936 -1.355 14 3HD1 LEU 12 HD13 LEU 12 18.540 -3.588 -2.079 15 1HD2 LEU 12 HD21 LEU 12 20.187 -0.033 -1.999 16 2HD2 LEU 12 HD22 LEU 12 19.740 -0.705 -3.568 17 3HD2 LEU 12 HD23 LEU 12 18.706 0.497 -2.797 18 H ASN 13 HN ASN 13 14.852 -2.840 -0.897 19 HA ASN 13 HA ASN 13 12.652 -2.401 -2.743 20 1HB ASN 13 HB2 ASN 13 13.920 -4.727 -1.557 21 2HB ASN 13 HB3 ASN 13 12.171 -4.780 -1.362 22 1HD2 ASN 13 HD21 ASN 13 14.575 -3.995 -3.845 23 2HD2 ASN 13 HD22 ASN 13 13.749 -4.789 -5.136 24 H ASN 14 HN ASN 14 12.836 -0.673 -0.443 25 HA ASN 14 HA ASN 14 11.108 -1.563 1.616 26 1HB ASN 14 HB2 ASN 14 12.783 0.330 1.779 27 2HB ASN 14 HB3 ASN 14 11.623 1.316 0.894 28 1HD2 ASN 14 HD21 ASN 14 12.749 0.778 3.858 29 2HD2 ASN 14 HD22 ASN 14 11.329 1.093 4.803 30 H LEU 15 HN LEU 15 10.532 0.489 -1.252 31 HA LEU 15 HA LEU 15 7.790 0.893 -0.613 32 1HB LEU 15 HB2 LEU 15 9.470 2.056 -2.364 33 2HB LEU 15 HB3 LEU 15 8.585 1.002 -3.456 34 HG LEU 15 HG LEU 15 6.961 2.629 -1.578 35 1HD1 LEU 15 HD11 LEU 15 8.975 3.910 -2.971 36 2HD1 LEU 15 HD12 LEU 15 7.555 4.091 -4.003 37 3HD1 LEU 15 HD13 LEU 15 7.507 4.652 -2.329 38 1HD2 LEU 15 HD21 LEU 15 6.750 1.452 -4.285 39 2HD2 LEU 15 HD22 LEU 15 5.573 1.497 -2.969 40 3HD2 LEU 15 HD23 LEU 15 5.843 2.929 -3.962 41 H ARG 16 HN ARG 16 9.539 -1.561 -2.425 42 HA ARG 16 HA ARG 16 7.238 -2.731 -3.615 43 1HB ARG 16 HB2 ARG 16 9.776 -3.109 -4.160 44 2HB ARG 16 HB3 ARG 16 9.656 -4.364 -2.936 45 1HG ARG 16 HG2 ARG 16 8.927 -5.725 -4.513 46 2HG ARG 16 HG3 ARG 16 7.456 -4.757 -4.591 47 1HD ARG 16 HD2 ARG 16 9.832 -3.796 -6.090 48 2HD ARG 16 HD3 ARG 16 8.981 -5.201 -6.726 49 HE ARG 16 HE ARG 16 7.807 -2.518 -6.339 50 1HH1 ARG 16 HH12 ARG 16 7.795 -5.683 -7.880 51 2HH1 ARG 16 HH11 ARG 16 6.504 -5.271 -8.971 52 1HH2 ARG 16 HH22 ARG 16 6.117 -2.008 -7.773 53 2HH2 ARG 16 HH21 ARG 16 5.552 -3.197 -8.910 54 H MET 17 HN MET 17 8.896 -3.074 -0.561 55 HA MET 17 HA MET 17 7.529 -5.365 0.396 56 1HB MET 17 HB2 MET 17 9.633 -4.046 1.326 57 2HB MET 17 HB3 MET 17 8.405 -3.209 2.267 58 1HG MET 17 HG2 MET 17 8.400 -4.854 3.721 59 2HG MET 17 HG3 MET 17 7.863 -5.966 2.465 60 1HE MET 17 HE1 MET 17 11.209 -4.518 4.268 61 2HE MET 17 HE2 MET 17 10.069 -5.559 5.121 62 3HE MET 17 HE3 MET 17 11.670 -6.165 4.692 63 H THR 18 HN THR 18 6.951 -1.889 0.625 64 HA THR 18 HA THR 18 4.669 -1.935 2.259 65 HB THR 18 HB THR 18 5.526 0.016 0.107 66 HG1 THR 18 HG1 THR 18 6.027 1.223 2.167 67 1HG2 THR 18 HG21 THR 18 4.029 1.638 1.190 68 2HG2 THR 18 HG22 THR 18 3.419 0.368 2.252 69 3HG2 THR 18 HG23 THR 18 3.138 0.277 0.512 70 H TYR 19 HN TYR 19 5.038 -2.082 -1.260 71 HA TYR 19 HA TYR 19 2.282 -2.110 -1.865 72 1HB TYR 19 HB2 TYR 19 3.750 -1.556 -3.638 73 2HB TYR 19 HB3 TYR 19 4.742 -2.988 -3.377 74 HD1 TYR 19 HD1 TYR 19 1.313 -1.955 -4.432 75 HD2 TYR 19 HD2 TYR 19 4.369 -4.912 -4.670 76 HE1 TYR 19 HE1 TYR 19 0.035 -3.136 -6.171 77 HE2 TYR 19 HE2 TYR 19 3.097 -6.092 -6.408 78 HH TYR 19 HH TYR 19 0.848 -6.304 -7.241 79 H GLU 20 HN GLU 20 4.643 -4.733 -1.374 80 HA GLU 20 HA GLU 20 2.805 -6.820 -1.954 81 1HB GLU 20 HB2 GLU 20 5.537 -6.629 -1.342 82 2HB GLU 20 HB3 GLU 20 4.835 -7.669 -0.105 83 1HG GLU 20 HG2 GLU 20 4.002 -9.181 -1.732 84 2HG GLU 20 HG3 GLU 20 4.388 -8.070 -3.048 85 H ARG 21 HN ARG 21 3.674 -5.136 1.021 86 HA ARG 21 HA ARG 21 2.372 -6.896 2.801 87 1HB ARG 21 HB2 ARG 21 3.958 -4.763 3.138 88 2HB ARG 21 HB3 ARG 21 2.403 -4.021 3.443 89 1HG ARG 21 HG2 ARG 21 2.896 -6.565 4.824 90 2HG ARG 21 HG3 ARG 21 3.883 -5.204 5.343 91 1HD ARG 21 HD2 ARG 21 1.947 -3.913 5.867 92 2HD ARG 21 HD3 ARG 21 0.883 -5.095 5.109 93 HE ARG 21 HE ARG 21 1.286 -6.584 6.929 94 1HH1 ARG 21 HH12 ARG 21 2.613 -3.369 7.389 95 2HH1 ARG 21 HH11 ARG 21 2.779 -3.531 9.109 96 1HH2 ARG 21 HH22 ARG 21 1.482 -6.803 9.212 97 2HH2 ARG 21 HH21 ARG 21 2.099 -5.470 10.158 98 H LEU 22 HN LEU 22 1.253 -4.266 0.790 99 HA LEU 22 HA LEU 22 -1.394 -4.123 1.948 100 1HB LEU 22 HB2 LEU 22 -0.107 -3.042 -0.544 101 2HB LEU 22 HB3 LEU 22 -1.842 -2.959 -0.331 102 HG LEU 22 HG LEU 22 -0.107 -1.860 1.831 103 1HD1 LEU 22 HD11 LEU 22 0.951 -0.552 0.352 104 2HD1 LEU 22 HD12 LEU 22 -0.201 -0.911 -0.938 105 3HD1 LEU 22 HD13 LEU 22 -0.588 0.311 0.270 106 1HD2 LEU 22 HD21 LEU 22 -2.217 -1.452 2.506 107 2HD2 LEU 22 HD22 LEU 22 -2.177 -0.149 1.322 108 3HD2 LEU 22 HD23 LEU 22 -2.886 -1.710 0.890 109 H ARG 23 HN ARG 23 0.217 -5.864 -0.632 110 HA ARG 23 HA ARG 23 -2.144 -6.867 -1.875 111 1HB ARG 23 HB2 ARG 23 0.214 -6.742 -2.866 112 2HB ARG 23 HB3 ARG 23 0.575 -8.173 -1.914 113 1HG ARG 23 HG2 ARG 23 -0.880 -9.513 -3.150 114 2HG ARG 23 HG3 ARG 23 -1.729 -8.122 -3.827 115 1HD ARG 23 HD2 ARG 23 0.136 -7.551 -5.200 116 2HD ARG 23 HD3 ARG 23 1.168 -8.727 -4.386 117 HE ARG 23 HE ARG 23 -0.238 -10.477 -5.404 118 1HH1 ARG 23 HH12 ARG 23 -0.298 -7.254 -6.761 119 2HH1 ARG 23 HH11 ARG 23 -0.749 -7.781 -8.351 120 1HH2 ARG 23 HH22 ARG 23 -0.887 -11.189 -7.489 121 2HH2 ARG 23 HH21 ARG 23 -1.085 -10.014 -8.759 122 H GLU 24 HN GLU 24 0.058 -8.061 0.625 123 HA GLU 24 HA GLU 24 -1.160 -10.611 0.906 124 1HB GLU 24 HB2 GLU 24 1.122 -9.468 1.864 125 2HB GLU 24 HB3 GLU 24 0.105 -9.444 3.297 126 1HG GLU 24 HG2 GLU 24 1.492 -11.449 3.193 127 2HG GLU 24 HG3 GLU 24 -0.226 -11.827 3.169 128 H LEU 25 HN LEU 25 -1.681 -7.480 2.365 129 HA LEU 25 HA LEU 25 -3.544 -8.396 4.322 130 1HB LEU 25 HB2 LEU 25 -2.082 -6.129 3.980 131 2HB LEU 25 HB3 LEU 25 -3.661 -5.577 3.456 132 HG LEU 25 HG LEU 25 -2.675 -5.840 6.101 133 1HD1 LEU 25 HD11 LEU 25 -5.188 -5.106 6.466 134 2HD1 LEU 25 HD12 LEU 25 -3.960 -4.008 5.831 135 3HD1 LEU 25 HD13 LEU 25 -5.076 -4.822 4.732 136 1HD2 LEU 25 HD21 LEU 25 -4.852 -7.769 5.409 137 2HD2 LEU 25 HD22 LEU 25 -3.419 -8.029 6.405 138 3HD2 LEU 25 HD23 LEU 25 -4.749 -7.042 7.012 139 H SER 26 HN SER 26 -3.704 -7.174 1.056 140 HA SER 26 HA SER 26 -6.458 -6.653 0.907 141 1HB SER 26 HB2 SER 26 -4.195 -6.837 -0.921 142 2HB SER 26 HB3 SER 26 -5.677 -7.427 -1.647 143 HG SER 26 HG SER 26 -5.088 -4.871 -0.646 144 H LEU 27 HN LEU 27 -4.577 -9.601 0.437 145 HA LEU 27 HA LEU 27 -6.839 -11.120 -0.496 146 1HB LEU 27 HB2 LEU 27 -3.990 -11.558 -0.049 147 2HB LEU 27 HB3 LEU 27 -4.968 -12.933 0.432 148 HG LEU 27 HG LEU 27 -6.070 -12.631 -1.920 149 1HD1 LEU 27 HD11 LEU 27 -3.375 -11.402 -2.435 150 2HD1 LEU 27 HD12 LEU 27 -4.643 -11.741 -3.609 151 3HD1 LEU 27 HD13 LEU 27 -4.889 -10.496 -2.382 152 1HD2 LEU 27 HD21 LEU 27 -3.657 -14.028 -1.028 153 2HD2 LEU 27 HD22 LEU 27 -5.077 -14.632 -1.885 154 3HD2 LEU 27 HD23 LEU 27 -3.781 -13.837 -2.776 155 H ASN 28 HN ASN 28 -5.258 -10.433 2.518 156 HA ASN 28 HA ASN 28 -6.483 -12.449 4.084 157 1HB ASN 28 HB2 ASN 28 -4.438 -10.780 4.526 158 2HB ASN 28 HB3 ASN 28 -5.708 -9.861 5.332 159 1HD2 ASN 28 HD21 ASN 28 -3.395 -12.148 5.765 160 2HD2 ASN 28 HD22 ASN 28 -4.007 -12.913 7.196 161 H LEU 29 HN LEU 29 -7.167 -8.941 3.866 162 HA LEU 29 HA LEU 29 -9.544 -9.122 5.402 163 1HB LEU 29 HB2 LEU 29 -8.676 -6.999 3.444 164 2HB LEU 29 HB3 LEU 29 -10.000 -6.848 4.584 165 HG LEU 29 HG LEU 29 -7.154 -7.321 5.442 166 1HD1 LEU 29 HD11 LEU 29 -8.111 -5.073 4.173 167 2HD1 LEU 29 HD12 LEU 29 -8.211 -4.673 5.890 168 3HD1 LEU 29 HD13 LEU 29 -6.673 -5.178 5.189 169 1HD2 LEU 29 HD21 LEU 29 -8.895 -7.908 7.061 170 2HD2 LEU 29 HD22 LEU 29 -7.951 -6.514 7.590 171 3HD2 LEU 29 HD23 LEU 29 -9.567 -6.284 6.922 172 H GLY 30 HN GLY 30 -8.836 -9.379 1.986 173 1HA GLY 30 HA1 GLY 30 -11.427 -9.043 0.980 174 2HA GLY 30 HA2 GLY 30 -10.149 -9.957 0.192 175 H ASN 31 HN ASN 31 -9.810 -11.872 2.312 176 HA ASN 31 HA ASN 31 -12.056 -13.594 1.680 177 1HB ASN 31 HB2 ASN 31 -10.455 -15.165 1.715 178 2HB ASN 31 HB3 ASN 31 -9.285 -13.934 2.146 179 1HD2 ASN 31 HD21 ASN 31 -11.157 -16.602 3.250 180 2HD2 ASN 31 HD22 ASN 31 -10.490 -16.684 4.851 181 H ARG 32 HN ARG 32 -11.111 -11.535 4.210 182 HA ARG 32 HA ARG 32 -12.618 -12.982 6.249 183 1HB ARG 32 HB2 ARG 32 -10.361 -11.697 6.590 184 2HB ARG 32 HB3 ARG 32 -11.388 -10.272 6.670 185 1HG ARG 32 HG2 ARG 32 -12.592 -11.206 8.561 186 2HG ARG 32 HG3 ARG 32 -11.660 -12.699 8.435 187 1HD ARG 32 HD2 ARG 32 -9.920 -11.829 9.535 188 2HD ARG 32 HD3 ARG 32 -9.991 -10.321 8.627 189 HE ARG 32 HE ARG 32 -12.049 -10.645 10.636 190 1HH1 ARG 32 HH12 ARG 32 -8.843 -9.395 9.929 191 2HH1 ARG 32 HH11 ARG 32 -8.873 -8.254 11.243 192 1HH2 ARG 32 HH22 ARG 32 -12.086 -9.152 12.336 193 2HH2 ARG 32 HH21 ARG 32 -10.716 -8.119 12.615 194 H MET 33 HN MET 33 -13.261 -10.962 3.779 195 HA MET 33 HA MET 33 -15.359 -9.464 5.144 196 1HB MET 33 HB2 MET 33 -13.715 -8.985 2.846 197 2HB MET 33 HB3 MET 33 -15.398 -8.972 2.348 198 1HG MET 33 HG2 MET 33 -14.373 -6.765 3.045 199 2HG MET 33 HG3 MET 33 -15.930 -7.192 3.752 200 1HE MET 33 HE1 MET 33 -12.206 -6.811 4.116 201 2HE MET 33 HE2 MET 33 -12.914 -5.327 4.759 202 3HE MET 33 HE3 MET 33 -12.005 -6.403 5.822 203 H VAL 34 HN VAL 34 -17.530 -9.581 4.401 204 HA VAL 34 HA VAL 34 -18.160 -12.099 3.013 205 HB VAL 34 HB VAL 34 -20.128 -10.891 4.908 206 1HG1 VAL 34 HG11 VAL 34 -20.486 -13.412 5.279 207 2HG1 VAL 34 HG12 VAL 34 -20.963 -12.726 3.728 208 3HG1 VAL 34 HG13 VAL 34 -19.453 -13.624 3.868 209 1HG2 VAL 34 HG21 VAL 34 -18.464 -10.887 6.473 210 2HG2 VAL 34 HG22 VAL 34 -19.019 -12.558 6.623 211 3HG2 VAL 34 HG23 VAL 34 -17.570 -12.187 5.687 212 HA PRO 35 HA PRO 35 -18.815 -12.830 1.557 213 1HB PRO 35 HB2 PRO 35 -19.060 -12.933 -1.133 214 2HB PRO 35 HB3 PRO 35 -20.429 -13.175 -0.047 215 1HG PRO 35 HG2 PRO 35 -19.751 -10.847 -1.740 216 2HG PRO 35 HG3 PRO 35 -21.334 -11.410 -1.177 217 1HD PRO 35 HD2 PRO 35 -19.788 -9.296 -0.106 218 2HD PRO 35 HD3 PRO 35 -21.273 -9.985 0.570 219 HA PRO 36 HA PRO 36 -14.550 -12.225 0.674 220 1HB PRO 36 HB2 PRO 36 -14.775 -14.365 -1.392 221 2HB PRO 36 HB3 PRO 36 -13.618 -14.192 -0.065 222 1HG PRO 36 HG2 PRO 36 -15.623 -15.913 0.140 223 2HG PRO 36 HG3 PRO 36 -15.136 -14.933 1.534 224 1HD PRO 36 HD2 PRO 36 -17.504 -14.618 -0.267 225 2HD PRO 36 HD3 PRO 36 -17.365 -14.323 1.479 226 H VAL 37 HN VAL 37 -13.827 -10.558 -0.321 227 HA VAL 37 HA VAL 37 -14.866 -9.607 -2.810 228 HB VAL 37 HB VAL 37 -12.331 -8.498 -1.663 229 1HG1 VAL 37 HG11 VAL 37 -13.242 -7.511 -3.681 230 2HG1 VAL 37 HG12 VAL 37 -14.806 -7.285 -2.897 231 3HG1 VAL 37 HG13 VAL 37 -13.403 -6.372 -2.344 232 1HG2 VAL 37 HG21 VAL 37 -13.831 -7.076 -0.154 233 2HG2 VAL 37 HG22 VAL 37 -15.044 -8.339 -0.365 234 3HG2 VAL 37 HG23 VAL 37 -13.488 -8.722 0.375 235 H GLY 38 HN GLY 38 -11.891 -11.182 -1.767 236 1HA GLY 38 HA1 GLY 38 -10.339 -12.351 -3.025 237 2HA GLY 38 HA2 GLY 38 -11.278 -11.986 -4.473 238 H ASN 39 HN ASN 39 -11.210 -9.697 -5.181 239 HA ASN 39 HA ASN 39 -8.454 -8.704 -5.047 240 1HB ASN 39 HB2 ASN 39 -9.507 -9.085 -7.294 241 2HB ASN 39 HB3 ASN 39 -10.694 -7.841 -6.906 242 1HD2 ASN 39 HD21 ASN 39 -10.253 -6.034 -7.942 243 2HD2 ASN 39 HD22 ASN 39 -8.680 -5.362 -8.197 244 H PHE 40 HN PHE 40 -8.992 -8.073 -2.825 245 HA PHE 40 HA PHE 40 -10.835 -6.267 -1.929 246 1HB PHE 40 HB2 PHE 40 -9.206 -7.540 -0.561 247 2HB PHE 40 HB3 PHE 40 -7.929 -6.476 -1.117 248 HD1 PHE 40 HD1 PHE 40 -7.185 -5.414 0.835 249 HD2 PHE 40 HD2 PHE 40 -11.341 -5.617 -0.031 250 HE1 PHE 40 HE1 PHE 40 -7.649 -3.893 2.712 251 HE2 PHE 40 HE2 PHE 40 -11.832 -4.106 1.839 252 HZ PHE 40 HZ PHE 40 -9.805 -3.304 3.311 253 H MET 41 HN MET 41 -7.490 -5.187 -2.400 254 HA MET 41 HA MET 41 -8.556 -2.668 -3.478 255 1HB MET 41 HB2 MET 41 -7.142 -2.735 -1.326 256 2HB MET 41 HB3 MET 41 -5.784 -3.103 -2.374 257 1HG MET 41 HG2 MET 41 -5.883 -0.752 -1.837 258 2HG MET 41 HG3 MET 41 -6.111 -1.019 -3.565 259 1HE MET 41 HE1 MET 41 -9.035 0.850 -0.619 260 2HE MET 41 HE2 MET 41 -8.464 -0.771 -0.234 261 3HE MET 41 HE3 MET 41 -7.308 0.551 -0.424 262 HA PRO 42 HA PRO 42 -7.135 -4.056 -7.461 263 1HB PRO 42 HB2 PRO 42 -6.948 -1.102 -7.866 264 2HB PRO 42 HB3 PRO 42 -7.705 -2.333 -8.883 265 1HG PRO 42 HG2 PRO 42 -9.210 -0.767 -7.372 266 2HG PRO 42 HG3 PRO 42 -9.582 -2.499 -7.509 267 1HD PRO 42 HD2 PRO 42 -8.276 -1.010 -5.268 268 2HD PRO 42 HD3 PRO 42 -9.427 -2.362 -5.210 269 H ASP 43 HN ASP 43 -5.213 -4.296 -8.502 270 HA ASP 43 HA ASP 43 -2.805 -3.996 -7.163 271 1HB ASP 43 HB2 ASP 43 -2.699 -5.537 -8.876 272 2HB ASP 43 HB3 ASP 43 -3.587 -4.514 -9.999 273 H SER 44 HN SER 44 -4.216 -1.895 -9.642 274 HA SER 44 HA SER 44 -2.092 -0.094 -9.894 275 1HB SER 44 HB2 SER 44 -4.640 1.206 -10.234 276 2HB SER 44 HB3 SER 44 -3.470 0.721 -11.462 277 HG SER 44 HG SER 44 -5.730 -0.284 -11.377 278 H ILE 45 HN ILE 45 -4.874 -0.155 -7.698 279 HA ILE 45 HA ILE 45 -4.338 2.393 -6.526 280 HB ILE 45 HB ILE 45 -5.916 0.130 -5.303 281 1HG1 ILE 45 HG12 ILE 45 -6.588 0.877 -7.667 282 2HG1 ILE 45 HG13 ILE 45 -7.843 0.889 -6.432 283 1HG2 ILE 45 HG21 ILE 45 -7.124 2.378 -4.450 284 2HG2 ILE 45 HG22 ILE 45 -5.813 1.594 -3.567 285 3HG2 ILE 45 HG23 ILE 45 -5.475 2.978 -4.606 286 1HD1 ILE 45 HD11 ILE 45 -7.376 2.923 -8.125 287 2HD1 ILE 45 HD12 ILE 45 -8.087 3.117 -6.522 288 3HD1 ILE 45 HD13 ILE 45 -6.365 3.404 -6.759 289 H LEU 46 HN LEU 46 -3.458 -0.937 -5.741 290 HA LEU 46 HA LEU 46 -2.399 -0.441 -3.178 291 1HB LEU 46 HB2 LEU 46 -1.588 -2.512 -5.227 292 2HB LEU 46 HB3 LEU 46 -1.043 -2.498 -3.564 293 HG LEU 46 HG LEU 46 -3.945 -2.754 -4.349 294 1HD1 LEU 46 HD11 LEU 46 -2.984 -4.695 -5.219 295 2HD1 LEU 46 HD12 LEU 46 -1.803 -4.805 -3.915 296 3HD1 LEU 46 HD13 LEU 46 -3.502 -5.169 -3.604 297 1HD2 LEU 46 HD21 LEU 46 -2.403 -2.801 -1.810 298 2HD2 LEU 46 HD22 LEU 46 -3.994 -2.122 -2.152 299 3HD2 LEU 46 HD23 LEU 46 -3.803 -3.867 -1.965 300 H LYS 47 HN LYS 47 -1.040 -0.132 -6.406 301 HA LYS 47 HA LYS 47 1.640 0.297 -5.580 302 1HB LYS 47 HB2 LYS 47 0.099 0.743 -8.095 303 2HB LYS 47 HB3 LYS 47 1.720 1.405 -7.944 304 1HG LYS 47 HG2 LYS 47 2.520 -0.902 -7.417 305 2HG LYS 47 HG3 LYS 47 0.899 -1.485 -7.795 306 1HD LYS 47 HD2 LYS 47 1.329 -0.084 -10.015 307 2HD LYS 47 HD3 LYS 47 3.010 -0.433 -9.600 308 1HE LYS 47 HE2 LYS 47 2.778 -2.475 -10.425 309 2HE LYS 47 HE3 LYS 47 1.533 -2.811 -9.223 310 1HZ LYS 47 HZ1 LYS 47 0.358 -1.281 -11.228 311 2HZ LYS 47 HZ2 LYS 47 0.067 -2.914 -10.864 312 3HZ LYS 47 HZ3 LYS 47 1.245 -2.495 -12.007 313 H LYS 48 HN LYS 48 -0.908 2.608 -6.601 314 HA LYS 48 HA LYS 48 0.737 4.885 -6.180 315 1HB LYS 48 HB2 LYS 48 -1.544 6.098 -6.042 316 2HB LYS 48 HB3 LYS 48 -1.093 5.330 -7.557 317 1HG LYS 48 HG2 LYS 48 -2.477 3.391 -6.947 318 2HG LYS 48 HG3 LYS 48 -2.971 4.234 -5.478 319 1HD LYS 48 HD2 LYS 48 -4.676 4.986 -6.708 320 2HD LYS 48 HD3 LYS 48 -3.496 6.095 -7.410 321 1HE LYS 48 HE2 LYS 48 -3.473 3.456 -8.648 322 2HE LYS 48 HE3 LYS 48 -5.029 4.273 -8.790 323 1HZ LYS 48 HZ1 LYS 48 -3.621 6.254 -9.577 324 2HZ LYS 48 HZ2 LYS 48 -3.879 4.971 -10.648 325 3HZ LYS 48 HZ3 LYS 48 -2.396 5.105 -9.833 326 H MET 49 HN MET 49 -1.544 3.176 -4.108 327 HA MET 49 HA MET 49 -1.434 5.064 -1.997 328 1HB MET 49 HB2 MET 49 -3.147 3.855 -1.250 329 2HB MET 49 HB3 MET 49 -2.909 2.748 -2.589 330 1HG MET 49 HG2 MET 49 -2.138 1.141 -1.266 331 2HG MET 49 HG3 MET 49 -1.123 2.253 -0.350 332 1HE MET 49 HE1 MET 49 -4.647 1.024 -1.040 333 2HE MET 49 HE2 MET 49 -4.093 -0.159 0.144 334 3HE MET 49 HE3 MET 49 -5.405 0.948 0.555 335 H ALA 50 HN ALA 50 0.552 2.351 -2.917 336 HA ALA 50 HA ALA 50 1.941 2.238 -0.391 337 1HB ALA 50 HB1 ALA 50 2.463 0.226 -1.168 338 2HB ALA 50 HB2 ALA 50 1.844 0.634 -2.769 339 3HB ALA 50 HB3 ALA 50 3.517 0.996 -2.353 340 H ALA 51 HN ALA 51 2.383 3.801 -3.499 341 HA ALA 51 HA ALA 51 5.102 4.554 -2.987 342 1HB ALA 51 HB1 ALA 51 4.242 6.241 -4.958 343 2HB ALA 51 HB2 ALA 51 4.931 4.636 -5.220 344 3HB ALA 51 HB3 ALA 51 3.183 4.849 -5.159 345 H ILE 52 HN ILE 52 1.952 6.140 -2.789 346 HA ILE 52 HA ILE 52 3.178 8.623 -1.926 347 HB ILE 52 HB ILE 52 0.373 7.790 -2.550 348 1HG1 ILE 52 HG12 ILE 52 0.930 10.234 -3.721 349 2HG1 ILE 52 HG13 ILE 52 2.478 9.395 -3.761 350 1HG2 ILE 52 HG21 ILE 52 0.084 10.438 -1.938 351 2HG2 ILE 52 HG22 ILE 52 -0.416 9.100 -0.909 352 3HG2 ILE 52 HG23 ILE 52 1.147 9.881 -0.649 353 1HD1 ILE 52 HD11 ILE 52 -0.127 8.523 -4.974 354 2HD1 ILE 52 HD12 ILE 52 1.388 8.904 -5.791 355 3HD1 ILE 52 HD13 ILE 52 1.263 7.451 -4.800 356 H LEU 53 HN LEU 53 1.335 5.964 -0.602 357 HA LEU 53 HA LEU 53 0.707 5.391 1.487 358 1HB LEU 53 HB2 LEU 53 3.408 6.596 1.824 359 2HB LEU 53 HB3 LEU 53 2.492 6.204 3.267 360 HG LEU 53 HG LEU 53 3.101 4.219 1.076 361 1HD1 LEU 53 HD11 LEU 53 4.505 3.333 3.170 362 2HD1 LEU 53 HD12 LEU 53 5.193 4.356 1.910 363 3HD1 LEU 53 HD13 LEU 53 4.658 5.069 3.438 364 1HD2 LEU 53 HD21 LEU 53 2.626 2.903 3.451 365 2HD2 LEU 53 HD22 LEU 53 1.419 4.192 3.438 366 3HD2 LEU 53 HD23 LEU 53 1.505 3.053 2.094 367 HA PRO 54 HA PRO 54 -1.155 9.559 2.192 368 1HB PRO 54 HB2 PRO 54 -3.705 8.226 1.795 369 2HB PRO 54 HB3 PRO 54 -2.990 9.545 0.870 370 1HG PRO 54 HG2 PRO 54 -3.323 7.012 -0.103 371 2HG PRO 54 HG3 PRO 54 -2.080 8.131 -0.677 372 1HD PRO 54 HD2 PRO 54 -1.841 5.829 1.197 373 2HD PRO 54 HD3 PRO 54 -0.704 6.407 -0.037 374 H MET 55 HN MET 55 -0.940 9.812 4.327 375 HA MET 55 HA MET 55 -2.030 7.910 6.207 376 1HB MET 55 HB2 MET 55 -0.171 10.132 6.262 377 2HB MET 55 HB3 MET 55 -1.325 10.242 7.584 378 1HG MET 55 HG2 MET 55 -0.274 7.565 7.224 379 2HG MET 55 HG3 MET 55 0.980 8.759 7.558 380 1HE MET 55 HE1 MET 55 -2.508 7.588 10.316 381 2HE MET 55 HE2 MET 55 -2.683 7.968 8.606 382 3HE MET 55 HE3 MET 55 -1.811 6.519 9.096 383 H ASN 56 HN ASN 56 -3.082 10.773 4.627 384 HA ASN 56 HA ASN 56 -5.404 10.884 6.431 385 1HB ASN 56 HB2 ASN 56 -5.677 13.268 5.557 386 2HB ASN 56 HB3 ASN 56 -4.339 12.980 6.661 387 1HD2 ASN 56 HD21 ASN 56 -2.682 14.210 6.076 388 2HD2 ASN 56 HD22 ASN 56 -2.114 14.436 4.451 389 H ASP 57 HN ASP 57 -7.365 11.948 5.215 390 HA ASP 57 HA ASP 57 -7.872 10.229 2.938 391 1HB ASP 57 HB2 ASP 57 -9.506 11.891 4.767 392 2HB ASP 57 HB3 ASP 57 -10.143 11.657 3.143 393 H SER 58 HN SER 58 -6.753 13.378 3.404 394 HA SER 58 HA SER 58 -7.869 14.634 1.098 395 1HB SER 58 HB2 SER 58 -5.324 15.743 1.913 396 2HB SER 58 HB3 SER 58 -6.935 16.444 2.051 397 HG SER 58 HG SER 58 -5.867 16.108 4.091 398 H ALA 59 HN ALA 59 -4.747 13.099 1.822 399 HA ALA 59 HA ALA 59 -3.553 13.487 -0.710 400 1HB ALA 59 HB1 ALA 59 -2.800 12.344 1.729 401 2HB ALA 59 HB2 ALA 59 -2.648 11.053 0.540 402 3HB ALA 59 HB3 ALA 59 -1.791 12.576 0.302 403 H PHE 60 HN PHE 60 -5.908 11.286 0.447 404 HA PHE 60 HA PHE 60 -5.604 9.168 -1.369 405 1HB PHE 60 HB2 PHE 60 -7.722 10.148 0.445 406 2HB PHE 60 HB3 PHE 60 -8.260 9.114 -0.877 407 HD1 PHE 60 HD1 PHE 60 -8.399 8.492 2.069 408 HD2 PHE 60 HD2 PHE 60 -5.465 7.640 -0.883 409 HE1 PHE 60 HE1 PHE 60 -7.712 6.508 3.338 410 HE2 PHE 60 HE2 PHE 60 -4.773 5.648 0.381 411 HZ PHE 60 HZ PHE 60 -5.816 5.117 2.483 412 H ALA 61 HN ALA 61 -7.004 12.325 -1.751 413 HA ALA 61 HA ALA 61 -8.666 11.821 -3.973 414 1HB ALA 61 HB1 ALA 61 -8.359 14.302 -4.385 415 2HB ALA 61 HB2 ALA 61 -8.999 13.832 -2.809 416 3HB ALA 61 HB3 ALA 61 -7.305 14.299 -2.970 417 H THR 62 HN THR 62 -5.206 12.190 -3.716 418 HA THR 62 HA THR 62 -4.852 12.704 -6.529 419 HB THR 62 HB THR 62 -2.417 11.922 -5.571 420 HG1 THR 62 HG1 THR 62 -3.185 11.992 -3.407 421 1HG2 THR 62 HG21 THR 62 -1.847 14.260 -5.761 422 2HG2 THR 62 HG22 THR 62 -3.551 14.704 -5.663 423 3HG2 THR 62 HG23 THR 62 -2.948 13.810 -7.062 424 H LEU 63 HN LEU 63 -5.783 10.002 -4.987 425 HA LEU 63 HA LEU 63 -4.096 8.089 -6.370 426 1HB LEU 63 HB2 LEU 63 -6.668 7.708 -4.823 427 2HB LEU 63 HB3 LEU 63 -5.721 6.404 -5.505 428 HG LEU 63 HG LEU 63 -5.058 8.179 -3.176 429 1HD1 LEU 63 HD11 LEU 63 -4.941 5.185 -3.421 430 2HD1 LEU 63 HD12 LEU 63 -4.922 6.164 -1.956 431 3HD1 LEU 63 HD13 LEU 63 -6.390 6.060 -2.926 432 1HD2 LEU 63 HD21 LEU 63 -3.190 6.768 -5.004 433 2HD2 LEU 63 HD22 LEU 63 -2.966 8.240 -4.059 434 3HD2 LEU 63 HD23 LEU 63 -2.880 6.662 -3.270 435 H GLY 64 HN GLY 64 -7.146 9.712 -6.720 436 1HA GLY 64 HA1 GLY 64 -8.367 10.119 -8.616 437 2HA GLY 64 HA2 GLY 64 -7.243 9.126 -9.515 438 H THR 65 HN THR 65 -7.495 6.679 -8.923 439 HA THR 65 HA THR 65 -10.214 6.087 -9.604 440 HB THR 65 HB THR 65 -8.917 3.670 -9.362 441 HG1 THR 65 HG1 THR 65 -7.148 5.515 -10.625 442 1HG2 THR 65 HG21 THR 65 -8.967 3.679 -11.775 443 2HG2 THR 65 HG22 THR 65 -9.090 5.436 -11.800 444 3HG2 THR 65 HG23 THR 65 -10.422 4.474 -11.168 445 H VAL 66 HN VAL 66 -9.935 6.908 -6.832 446 HA VAL 66 HA VAL 66 -10.977 4.418 -5.670 447 HB VAL 66 HB VAL 66 -10.367 5.135 -3.404 448 1HG1 VAL 66 HG11 VAL 66 -7.796 4.986 -3.791 449 2HG1 VAL 66 HG12 VAL 66 -8.842 3.621 -4.194 450 3HG1 VAL 66 HG13 VAL 66 -8.271 4.700 -5.466 451 1HG2 VAL 66 HG21 VAL 66 -9.614 7.610 -4.718 452 2HG2 VAL 66 HG22 VAL 66 -9.903 7.275 -3.002 453 3HG2 VAL 66 HG23 VAL 66 -8.313 6.966 -3.713 454 H GLU 67 HN GLU 67 -13.057 4.609 -5.905 455 HA GLU 67 HA GLU 67 -14.448 7.104 -5.732 456 1HB GLU 67 HB2 GLU 67 -14.988 4.466 -6.697 457 2HB GLU 67 HB3 GLU 67 -16.277 4.930 -5.597 458 1HG GLU 67 HG2 GLU 67 -15.381 6.369 -8.082 459 2HG GLU 67 HG3 GLU 67 -16.919 5.554 -7.804 460 H ASP 68 HN ASP 68 -16.689 6.824 -4.405 461 HA ASP 68 HA ASP 68 -16.045 7.263 -1.746 462 1HB ASP 68 HB2 ASP 68 -18.205 7.786 -3.086 463 2HB ASP 68 HB3 ASP 68 -18.727 6.193 -2.548 464 H LYS 69 HN LYS 69 -17.105 4.274 -3.311 465 HA LYS 69 HA LYS 69 -17.325 2.769 -0.904 466 1HB LYS 69 HB2 LYS 69 -17.334 0.783 -2.459 467 2HB LYS 69 HB3 LYS 69 -18.563 1.994 -2.793 468 1HG LYS 69 HG2 LYS 69 -16.033 2.334 -4.244 469 2HG LYS 69 HG3 LYS 69 -16.968 0.897 -4.666 470 1HD LYS 69 HD2 LYS 69 -18.321 3.557 -4.481 471 2HD LYS 69 HD3 LYS 69 -17.377 3.159 -5.918 472 1HE LYS 69 HE2 LYS 69 -18.743 1.225 -6.352 473 2HE LYS 69 HE3 LYS 69 -19.591 1.437 -4.818 474 1HZ LYS 69 HZ1 LYS 69 -19.962 2.812 -7.340 475 2HZ LYS 69 HZ2 LYS 69 -20.023 3.803 -5.960 476 3HZ LYS 69 HZ3 LYS 69 -21.074 2.485 -6.102 477 H TYR 70 HN TYR 70 -14.686 3.441 -3.115 478 HA TYR 70 HA TYR 70 -12.965 1.402 -2.044 479 1HB TYR 70 HB2 TYR 70 -12.411 3.806 -3.804 480 2HB TYR 70 HB3 TYR 70 -11.151 2.697 -3.268 481 HD1 TYR 70 HD1 TYR 70 -14.167 3.030 -5.355 482 HD2 TYR 70 HD2 TYR 70 -10.895 0.539 -4.263 483 HE1 TYR 70 HE1 TYR 70 -14.641 1.569 -7.277 484 HE2 TYR 70 HE2 TYR 70 -11.358 -0.925 -6.184 485 HH TYR 70 HH TYR 70 -14.207 -0.875 -7.896 486 H ARG 71 HN ARG 71 -13.527 4.829 -1.549 487 HA ARG 71 HA ARG 71 -11.360 5.299 0.223 488 1HB ARG 71 HB2 ARG 71 -13.909 6.788 -0.345 489 2HB ARG 71 HB3 ARG 71 -12.782 7.322 0.882 490 1HG ARG 71 HG2 ARG 71 -11.629 6.792 -1.769 491 2HG ARG 71 HG3 ARG 71 -12.729 8.170 -1.652 492 1HD ARG 71 HD2 ARG 71 -10.302 7.663 0.050 493 2HD ARG 71 HD3 ARG 71 -10.436 8.871 -1.227 494 HE ARG 71 HE ARG 71 -11.763 8.947 1.396 495 1HH1 ARG 71 HH12 ARG 71 -10.859 10.532 -1.600 496 2HH1 ARG 71 HH11 ARG 71 -11.382 12.103 -1.062 497 1HH2 ARG 71 HH22 ARG 71 -12.410 10.972 2.111 498 2HH2 ARG 71 HH21 ARG 71 -12.236 12.360 1.083 499 H ARG 72 HN ARG 72 -14.653 4.225 0.612 500 HA ARG 72 HA ARG 72 -14.911 4.558 3.388 501 1HB ARG 72 HB2 ARG 72 -16.444 3.500 1.257 502 2HB ARG 72 HB3 ARG 72 -16.413 2.307 2.555 503 1HG ARG 72 HG2 ARG 72 -18.060 3.482 3.455 504 2HG ARG 72 HG3 ARG 72 -16.821 4.663 3.887 505 1HD ARG 72 HD2 ARG 72 -17.178 5.636 1.561 506 2HD ARG 72 HD3 ARG 72 -18.669 4.688 1.518 507 HE ARG 72 HE ARG 72 -19.446 5.962 3.435 508 1HH1 ARG 72 HH12 ARG 72 -16.681 7.215 1.722 509 2HH1 ARG 72 HH11 ARG 72 -16.917 8.857 2.239 510 1HH2 ARG 72 HH22 ARG 72 -19.737 8.114 4.191 511 2HH2 ARG 72 HH21 ARG 72 -18.655 9.367 3.658 512 H ARG 73 HN ARG 73 -14.418 1.507 1.599 513 HA ARG 73 HA ARG 73 -13.830 0.029 3.930 514 1HB ARG 73 HB2 ARG 73 -13.941 -1.746 2.569 515 2HB ARG 73 HB3 ARG 73 -14.423 -0.601 1.328 516 1HG ARG 73 HG2 ARG 73 -11.530 -1.137 1.775 517 2HG ARG 73 HG3 ARG 73 -12.509 -2.311 0.891 518 1HD ARG 73 HD2 ARG 73 -13.224 0.117 -0.213 519 2HD ARG 73 HD3 ARG 73 -11.490 0.276 0.064 520 HE ARG 73 HE ARG 73 -11.121 -1.536 -1.411 521 1HH1 ARG 73 HH12 ARG 73 -14.495 -0.637 -1.167 522 2HH1 ARG 73 HH11 ARG 73 -14.959 -1.469 -2.622 523 1HH2 ARG 73 HH22 ARG 73 -11.734 -2.660 -3.329 524 2HH2 ARG 73 HH21 ARG 73 -13.388 -2.613 -3.847 525 H PHE 74 HN PHE 74 -12.062 2.382 2.499 526 HA PHE 74 HA PHE 74 -9.388 1.441 2.512 527 1HB PHE 74 HB2 PHE 74 -10.726 3.965 2.285 528 2HB PHE 74 HB3 PHE 74 -9.377 4.124 3.409 529 HD1 PHE 74 HD1 PHE 74 -10.112 4.871 0.271 530 HD2 PHE 74 HD2 PHE 74 -7.332 2.407 2.348 531 HE1 PHE 74 HE1 PHE 74 -8.577 4.988 -1.642 532 HE2 PHE 74 HE2 PHE 74 -5.787 2.526 0.431 533 HZ PHE 74 HZ PHE 74 -6.327 3.883 -1.494 534 H LYS 75 HN LYS 75 -11.550 2.362 5.038 535 HA LYS 75 HA LYS 75 -9.914 2.908 7.193 536 1HB LYS 75 HB2 LYS 75 -11.814 2.063 8.561 537 2HB LYS 75 HB3 LYS 75 -12.312 3.156 7.277 538 1HG LYS 75 HG2 LYS 75 -13.051 1.291 5.910 539 2HG LYS 75 HG3 LYS 75 -12.464 0.144 7.118 540 1HD LYS 75 HD2 LYS 75 -14.195 0.568 8.564 541 2HD LYS 75 HD3 LYS 75 -14.407 2.225 7.992 542 1HE LYS 75 HE2 LYS 75 -14.988 0.658 5.779 543 2HE LYS 75 HE3 LYS 75 -15.715 -0.214 7.130 544 1HZ LYS 75 HZ1 LYS 75 -17.223 1.415 6.120 545 2HZ LYS 75 HZ2 LYS 75 -16.153 2.661 6.541 546 3HZ LYS 75 HZ3 LYS 75 -16.909 1.741 7.753 547 H TYR 76 HN TYR 76 -10.462 -0.163 5.628 548 HA TYR 76 HA TYR 76 -9.495 -1.728 7.857 549 1HB TYR 76 HB2 TYR 76 -10.184 -2.452 5.001 550 2HB TYR 76 HB3 TYR 76 -9.636 -3.621 6.195 551 HD1 TYR 76 HD1 TYR 76 -12.433 -2.055 4.742 552 HD2 TYR 76 HD2 TYR 76 -11.046 -3.725 8.398 553 HE1 TYR 76 HE1 TYR 76 -14.758 -2.336 5.489 554 HE2 TYR 76 HE2 TYR 76 -13.364 -4.012 9.158 555 HH TYR 76 HH TYR 76 -15.821 -4.226 7.541 556 H PHE 77 HN PHE 77 -8.026 0.146 5.514 557 HA PHE 77 HA PHE 77 -5.539 -1.450 5.526 558 1HB PHE 77 HB2 PHE 77 -6.855 0.275 3.540 559 2HB PHE 77 HB3 PHE 77 -5.133 0.556 3.717 560 HD1 PHE 77 HD1 PHE 77 -6.965 -0.720 1.383 561 HD2 PHE 77 HD2 PHE 77 -4.272 -2.245 4.305 562 HE1 PHE 77 HE1 PHE 77 -6.506 -2.669 -0.053 563 HE2 PHE 77 HE2 PHE 77 -3.815 -4.185 2.873 564 HZ PHE 77 HZ PHE 77 -4.938 -4.299 0.552 565 H LYS 78 HN LYS 78 -7.036 1.309 6.776 566 HA LYS 78 HA LYS 78 -5.081 3.242 6.818 567 1HB LYS 78 HB2 LYS 78 -7.536 2.771 8.192 568 2HB LYS 78 HB3 LYS 78 -6.346 3.347 9.351 569 1HG LYS 78 HG2 LYS 78 -7.614 5.196 8.411 570 2HG LYS 78 HG3 LYS 78 -5.913 5.301 7.957 571 1HD LYS 78 HD2 LYS 78 -6.378 5.116 5.769 572 2HD LYS 78 HD3 LYS 78 -7.527 3.802 6.042 573 1HE LYS 78 HE2 LYS 78 -8.820 5.556 5.163 574 2HE LYS 78 HE3 LYS 78 -9.124 5.589 6.899 575 1HZ LYS 78 HZ1 LYS 78 -7.903 7.512 7.170 576 2HZ LYS 78 HZ2 LYS 78 -8.644 7.791 5.672 577 3HZ LYS 78 HZ3 LYS 78 -7.016 7.297 5.738 578 H ALA 79 HN ALA 79 -5.284 0.394 8.921 579 HA ALA 79 HA ALA 79 -3.220 1.300 10.699 580 1HB ALA 79 HB1 ALA 79 -4.480 -1.390 10.235 581 2HB ALA 79 HB2 ALA 79 -3.179 -1.136 11.396 582 3HB ALA 79 HB3 ALA 79 -4.716 -0.295 11.594 583 H THR 80 HN THR 80 -3.375 -0.520 7.750 584 HA THR 80 HA THR 80 -0.716 -1.537 7.770 585 HB THR 80 HB THR 80 -2.152 -1.101 5.208 586 HG1 THR 80 HG1 THR 80 -3.106 -2.953 7.158 587 1HG2 THR 80 HG21 THR 80 -0.580 -2.640 4.736 588 2HG2 THR 80 HG22 THR 80 -1.678 -3.779 5.510 589 3HG2 THR 80 HG23 THR 80 -0.358 -3.063 6.434 590 H ILE 81 HN ILE 81 -2.322 1.097 6.016 591 HA ILE 81 HA ILE 81 -0.142 2.095 4.605 592 HB ILE 81 HB ILE 81 -2.368 3.815 5.712 593 1HG1 ILE 81 HG12 ILE 81 -2.495 2.482 3.027 594 2HG1 ILE 81 HG13 ILE 81 -3.050 1.632 4.467 595 1HG2 ILE 81 HG21 ILE 81 -1.304 5.408 4.591 596 2HG2 ILE 81 HG22 ILE 81 -0.187 4.240 3.884 597 3HG2 ILE 81 HG23 ILE 81 -1.739 4.556 3.104 598 1HD1 ILE 81 HD11 ILE 81 -4.677 3.361 4.906 599 2HD1 ILE 81 HD12 ILE 81 -4.072 4.310 3.549 600 3HD1 ILE 81 HD13 ILE 81 -4.870 2.762 3.257 601 H ALA 82 HN ALA 82 -1.294 2.890 7.855 602 HA ALA 82 HA ALA 82 0.568 4.972 8.335 603 1HB ALA 82 HB1 ALA 82 -0.629 5.260 10.194 604 2HB ALA 82 HB2 ALA 82 -1.648 3.933 9.639 605 3HB ALA 82 HB3 ALA 82 -0.311 3.611 10.737 606 H ASP 83 HN ASP 83 0.634 1.497 8.973 607 HA ASP 83 HA ASP 83 3.007 1.559 10.549 608 1HB ASP 83 HB2 ASP 83 1.388 -0.308 10.647 609 2HB ASP 83 HB3 ASP 83 1.823 -0.752 8.999 610 H LEU 84 HN LEU 84 2.362 1.038 7.121 611 HA LEU 84 HA LEU 84 5.000 0.297 6.448 612 1HB LEU 84 HB2 LEU 84 2.835 1.489 4.728 613 2HB LEU 84 HB3 LEU 84 4.315 0.762 4.129 614 HG LEU 84 HG LEU 84 2.404 -0.800 5.842 615 1HD1 LEU 84 HD11 LEU 84 1.799 0.251 3.311 616 2HD1 LEU 84 HD12 LEU 84 2.171 -1.456 3.069 617 3HD1 LEU 84 HD13 LEU 84 0.913 -0.982 4.209 618 1HD2 LEU 84 HD21 LEU 84 4.511 -1.847 5.643 619 2HD2 LEU 84 HD22 LEU 84 3.456 -2.663 4.488 620 3HD2 LEU 84 HD23 LEU 84 4.620 -1.464 3.925 621 H SER 85 HN SER 85 3.466 3.454 6.751 622 HA SER 85 HA SER 85 5.556 4.877 5.424 623 1HB SER 85 HB2 SER 85 4.394 6.756 6.998 624 2HB SER 85 HB3 SER 85 3.740 6.237 5.444 625 HG SER 85 HG SER 85 2.257 4.983 6.467 626 H LYS 86 HN LYS 86 4.968 3.709 8.637 627 HA LYS 86 HA LYS 86 7.031 5.281 9.896 628 1HB LYS 86 HB2 LYS 86 5.625 4.740 11.565 629 2HB LYS 86 HB3 LYS 86 4.971 3.366 10.693 630 1HG LYS 86 HG2 LYS 86 7.541 2.599 11.491 631 2HG LYS 86 HG3 LYS 86 6.826 3.415 12.886 632 1HD LYS 86 HD2 LYS 86 5.574 1.156 11.321 633 2HD LYS 86 HD3 LYS 86 6.355 1.004 12.897 634 1HE LYS 86 HE2 LYS 86 4.674 2.747 13.700 635 2HE LYS 86 HE3 LYS 86 3.798 2.425 12.204 636 1HZ LYS 86 HZ1 LYS 86 3.715 0.065 12.851 637 2HZ LYS 86 HZ2 LYS 86 2.911 1.068 13.957 638 3HZ LYS 86 HZ3 LYS 86 4.447 0.455 14.331 639 H LYS 87 HN LYS 87 6.762 2.183 8.333 640 HA LYS 87 HA LYS 87 9.325 1.235 9.281 641 1HB LYS 87 HB2 LYS 87 7.477 0.100 7.176 642 2HB LYS 87 HB3 LYS 87 8.907 -0.702 7.808 643 1HG LYS 87 HG2 LYS 87 7.078 0.138 9.903 644 2HG LYS 87 HG3 LYS 87 6.338 -0.968 8.746 645 1HD LYS 87 HD2 LYS 87 8.817 -2.093 9.202 646 2HD LYS 87 HD3 LYS 87 8.358 -1.467 10.785 647 1HE LYS 87 HE2 LYS 87 6.546 -3.164 9.089 648 2HE LYS 87 HE3 LYS 87 7.641 -3.832 10.297 649 1HZ LYS 87 HZ1 LYS 87 6.421 -2.064 11.798 650 2HZ LYS 87 HZ2 LYS 87 5.775 -3.605 11.534 651 3HZ LYS 87 HZ3 LYS 87 5.186 -2.283 10.649 652 H ARG 88 HN ARG 88 8.211 3.219 6.775 653 HA ARG 88 HA ARG 88 10.087 2.621 4.753 654 1HB ARG 88 HB2 ARG 88 7.940 4.299 4.938 655 2HB ARG 88 HB3 ARG 88 9.278 5.441 4.951 656 1HG ARG 88 HG2 ARG 88 9.991 4.827 2.837 657 2HG ARG 88 HG3 ARG 88 9.142 3.279 2.894 658 1HD ARG 88 HD2 ARG 88 7.151 4.193 2.297 659 2HD ARG 88 HD3 ARG 88 7.499 5.724 3.098 660 HE ARG 88 HE ARG 88 9.052 5.166 0.706 661 1HH1 ARG 88 HH12 ARG 88 6.285 6.795 2.141 662 2HH1 ARG 88 HH11 ARG 88 6.075 7.881 0.805 663 1HH2 ARG 88 HH22 ARG 88 8.789 6.646 -1.041 664 2HH2 ARG 88 HH21 ARG 88 7.490 7.807 -0.993 665 H SER 89 HN SER 89 11.983 3.815 4.124 666 HA SER 89 HA SER 89 13.697 4.377 6.341 667 1HB SER 89 HB2 SER 89 14.701 5.176 3.717 668 2HB SER 89 HB3 SER 89 15.319 3.963 4.840 669 HG SER 89 HG SER 89 14.224 2.433 3.844 670 H SER 90 HN SER 90 12.177 6.124 7.092 671 HA SER 90 HA SER 90 11.730 8.293 7.547 672 1HB SER 90 HB2 SER 90 14.391 8.900 6.249 673 2HB SER 90 HB3 SER 90 13.560 9.838 7.490 674 HG SER 90 HG SER 90 15.080 7.536 7.724 675 H GLU 91 HN GLU 91 10.385 7.509 5.380 676 HA GLU 91 HA GLU 91 10.488 9.877 3.642 677 1HB GLU 91 HB2 GLU 91 9.812 7.053 2.797 678 2HB GLU 91 HB3 GLU 91 9.728 8.472 1.763 679 1HG GLU 91 HG2 GLU 91 12.292 8.609 2.672 680 2HG GLU 91 HG3 GLU 91 12.030 6.868 2.574 Start of MODEL 15 1 H GLU 11 HN GLU 11 16.361 -4.997 1.026 2 HA GLU 11 HA GLU 11 15.896 -3.157 2.243 3 1HB GLU 11 HB2 GLU 11 18.713 -3.366 2.407 4 2HB GLU 11 HB3 GLU 11 18.315 -1.665 2.232 5 1HG GLU 11 HG2 GLU 11 17.828 -1.584 4.383 6 2HG GLU 11 HG3 GLU 11 16.516 -2.736 4.118 7 H LEU 12 HN LEU 12 16.153 -3.227 -0.811 8 HA LEU 12 HA LEU 12 16.073 -0.327 -1.276 9 1HB LEU 12 HB2 LEU 12 16.511 -2.634 -3.175 10 2HB LEU 12 HB3 LEU 12 16.279 -0.982 -3.700 11 HG LEU 12 HG LEU 12 18.478 -1.624 -1.785 12 1HD1 LEU 12 HD11 LEU 12 19.424 -1.592 -4.490 13 2HD1 LEU 12 HD12 LEU 12 19.646 -2.818 -3.241 14 3HD1 LEU 12 HD13 LEU 12 18.226 -2.873 -4.283 15 1HD2 LEU 12 HD21 LEU 12 19.320 0.406 -2.372 16 2HD2 LEU 12 HD22 LEU 12 18.714 0.302 -4.028 17 3HD2 LEU 12 HD23 LEU 12 17.618 0.717 -2.709 18 H ASN 13 HN ASN 13 14.187 -3.003 -0.799 19 HA ASN 13 HA ASN 13 12.047 -2.253 -2.591 20 1HB ASN 13 HB2 ASN 13 10.908 -4.249 -1.609 21 2HB ASN 13 HB3 ASN 13 12.470 -4.595 -2.340 22 1HD2 ASN 13 HD21 ASN 13 10.697 -5.737 -0.086 23 2HD2 ASN 13 HD22 ASN 13 11.843 -6.036 1.184 24 H ASN 14 HN ASN 14 12.413 -0.130 -1.034 25 HA ASN 14 HA ASN 14 10.983 -0.116 1.401 26 1HB ASN 14 HB2 ASN 14 10.711 2.454 0.414 27 2HB ASN 14 HB3 ASN 14 12.009 1.866 1.441 28 1HD2 ASN 14 HD21 ASN 14 13.927 2.254 0.785 29 2HD2 ASN 14 HD22 ASN 14 14.445 2.494 -0.855 30 H LEU 15 HN LEU 15 10.055 0.702 -1.906 31 HA LEU 15 HA LEU 15 7.286 1.120 -1.177 32 1HB LEU 15 HB2 LEU 15 8.856 2.077 -3.174 33 2HB LEU 15 HB3 LEU 15 8.025 0.782 -4.013 34 HG LEU 15 HG LEU 15 6.231 2.485 -2.450 35 1HD1 LEU 15 HD11 LEU 15 8.123 3.673 -4.392 36 2HD1 LEU 15 HD12 LEU 15 6.433 4.159 -4.509 37 3HD1 LEU 15 HD13 LEU 15 7.313 4.395 -3.000 38 1HD2 LEU 15 HD21 LEU 15 6.327 1.031 -5.001 39 2HD2 LEU 15 HD22 LEU 15 4.997 1.255 -3.863 40 3HD2 LEU 15 HD23 LEU 15 5.387 2.525 -5.019 41 H ARG 16 HN ARG 16 9.291 -1.395 -2.509 42 HA ARG 16 HA ARG 16 7.228 -3.032 -3.518 43 1HB ARG 16 HB2 ARG 16 9.916 -3.121 -3.643 44 2HB ARG 16 HB3 ARG 16 9.632 -4.350 -2.428 45 1HG ARG 16 HG2 ARG 16 9.772 -5.047 -4.868 46 2HG ARG 16 HG3 ARG 16 8.472 -5.690 -3.881 47 1HD ARG 16 HD2 ARG 16 7.226 -3.524 -4.825 48 2HD ARG 16 HD3 ARG 16 8.369 -3.792 -6.143 49 HE ARG 16 HE ARG 16 6.625 -5.977 -5.198 50 1HH1 ARG 16 HH12 ARG 16 7.672 -3.788 -7.728 51 2HH1 ARG 16 HH11 ARG 16 6.909 -4.689 -9.006 52 1HH2 ARG 16 HH22 ARG 16 5.627 -7.162 -6.869 53 2HH2 ARG 16 HH21 ARG 16 5.740 -6.612 -8.515 54 H MET 17 HN MET 17 8.734 -2.751 -0.330 55 HA MET 17 HA MET 17 7.556 -5.019 0.846 56 1HB MET 17 HB2 MET 17 9.407 -3.617 1.831 57 2HB MET 17 HB3 MET 17 8.179 -2.436 2.253 58 1HG MET 17 HG2 MET 17 7.122 -4.716 3.303 59 2HG MET 17 HG3 MET 17 8.850 -4.983 3.526 60 1HE MET 17 HE1 MET 17 10.377 -2.834 5.289 61 2HE MET 17 HE2 MET 17 9.979 -2.383 3.630 62 3HE MET 17 HE3 MET 17 9.566 -1.302 4.965 63 H THR 18 HN THR 18 6.503 -1.693 0.494 64 HA THR 18 HA THR 18 4.116 -1.831 1.971 65 HB THR 18 HB THR 18 4.438 -0.061 -0.432 66 HG1 THR 18 HG1 THR 18 5.812 1.261 0.779 67 1HG2 THR 18 HG21 THR 18 2.455 0.449 0.643 68 2HG2 THR 18 HG22 THR 18 3.578 1.575 1.407 69 3HG2 THR 18 HG23 THR 18 3.108 0.094 2.241 70 H TYR 19 HN TYR 19 4.775 -2.183 -1.501 71 HA TYR 19 HA TYR 19 2.133 -2.665 -2.348 72 1HB TYR 19 HB2 TYR 19 3.896 -2.034 -3.898 73 2HB TYR 19 HB3 TYR 19 4.791 -3.499 -3.535 74 HD1 TYR 19 HD1 TYR 19 1.604 -2.292 -5.040 75 HD2 TYR 19 HD2 TYR 19 4.468 -5.438 -4.820 76 HE1 TYR 19 HE1 TYR 19 0.470 -3.451 -6.888 77 HE2 TYR 19 HE2 TYR 19 3.338 -6.599 -6.671 78 HH TYR 19 HH TYR 19 1.855 -6.184 -8.492 79 H GLU 20 HN GLU 20 4.722 -4.892 -1.372 80 HA GLU 20 HA GLU 20 3.305 -7.281 -1.903 81 1HB GLU 20 HB2 GLU 20 5.865 -6.502 -0.812 82 2HB GLU 20 HB3 GLU 20 5.161 -7.827 0.103 83 1HG GLU 20 HG2 GLU 20 6.696 -8.264 -1.949 84 2HG GLU 20 HG3 GLU 20 5.296 -9.284 -1.642 85 H ARG 21 HN ARG 21 3.761 -5.328 1.022 86 HA ARG 21 HA ARG 21 2.475 -7.080 2.825 87 1HB ARG 21 HB2 ARG 21 3.928 -5.149 3.446 88 2HB ARG 21 HB3 ARG 21 2.628 -4.069 2.967 89 1HG ARG 21 HG2 ARG 21 1.627 -4.303 4.917 90 2HG ARG 21 HG3 ARG 21 1.660 -6.062 4.793 91 1HD ARG 21 HD2 ARG 21 4.283 -5.045 5.319 92 2HD ARG 21 HD3 ARG 21 3.145 -4.429 6.514 93 HE ARG 21 HE ARG 21 3.324 -7.312 5.935 94 1HH1 ARG 21 HH12 ARG 21 3.409 -4.629 8.182 95 2HH1 ARG 21 HH11 ARG 21 3.650 -5.640 9.579 96 1HH2 ARG 21 HH22 ARG 21 3.607 -8.652 7.780 97 2HH2 ARG 21 HH21 ARG 21 3.717 -7.918 9.356 98 H LEU 22 HN LEU 22 1.310 -4.410 0.836 99 HA LEU 22 HA LEU 22 -1.346 -4.399 1.857 100 1HB LEU 22 HB2 LEU 22 0.110 -3.240 -0.457 101 2HB LEU 22 HB3 LEU 22 -1.623 -3.349 -0.612 102 HG LEU 22 HG LEU 22 -0.573 -2.131 1.874 103 1HD1 LEU 22 HD11 LEU 22 -0.853 -0.097 -0.103 104 2HD1 LEU 22 HD12 LEU 22 0.547 -0.477 0.902 105 3HD1 LEU 22 HD13 LEU 22 0.336 -1.274 -0.656 106 1HD2 LEU 22 HD21 LEU 22 -2.958 -1.942 0.095 107 2HD2 LEU 22 HD22 LEU 22 -2.871 -2.118 1.848 108 3HD2 LEU 22 HD23 LEU 22 -2.532 -0.555 1.101 109 H ARG 23 HN ARG 23 0.269 -6.080 -0.781 110 HA ARG 23 HA ARG 23 -2.020 -7.131 -2.034 111 1HB ARG 23 HB2 ARG 23 0.657 -7.158 -2.546 112 2HB ARG 23 HB3 ARG 23 0.408 -8.816 -2.024 113 1HG ARG 23 HG2 ARG 23 -0.504 -9.360 -3.958 114 2HG ARG 23 HG3 ARG 23 -1.646 -8.019 -3.856 115 1HD ARG 23 HD2 ARG 23 -0.320 -6.605 -5.074 116 2HD ARG 23 HD3 ARG 23 1.170 -7.393 -4.560 117 HE ARG 23 HE ARG 23 -0.628 -8.286 -6.703 118 1HH1 ARG 23 HH12 ARG 23 2.446 -8.506 -5.018 119 2HH1 ARG 23 HH11 ARG 23 3.141 -9.583 -6.191 120 1HH2 ARG 23 HH22 ARG 23 0.302 -9.673 -8.237 121 2HH2 ARG 23 HH21 ARG 23 1.927 -10.247 -8.018 122 H GLU 24 HN GLU 24 0.100 -8.408 0.497 123 HA GLU 24 HA GLU 24 -1.281 -10.870 0.794 124 1HB GLU 24 HB2 GLU 24 1.089 -10.316 1.575 125 2HB GLU 24 HB3 GLU 24 0.339 -9.493 2.937 126 1HG GLU 24 HG2 GLU 24 -0.914 -11.857 3.072 127 2HG GLU 24 HG3 GLU 24 0.628 -12.363 2.389 128 H LEU 25 HN LEU 25 -1.634 -7.698 2.248 129 HA LEU 25 HA LEU 25 -3.449 -8.561 4.281 130 1HB LEU 25 HB2 LEU 25 -1.976 -6.286 3.819 131 2HB LEU 25 HB3 LEU 25 -3.599 -5.748 3.442 132 HG LEU 25 HG LEU 25 -2.373 -6.324 6.036 133 1HD1 LEU 25 HD11 LEU 25 -4.268 -4.775 6.730 134 2HD1 LEU 25 HD12 LEU 25 -3.056 -4.124 5.623 135 3HD1 LEU 25 HD13 LEU 25 -4.625 -4.638 5.008 136 1HD2 LEU 25 HD21 LEU 25 -4.715 -7.831 5.227 137 2HD2 LEU 25 HD22 LEU 25 -3.682 -8.013 6.643 138 3HD2 LEU 25 HD23 LEU 25 -5.001 -6.839 6.655 139 H SER 26 HN SER 26 -3.754 -7.405 0.967 140 HA SER 26 HA SER 26 -6.533 -6.852 1.042 141 1HB SER 26 HB2 SER 26 -4.872 -7.703 -1.355 142 2HB SER 26 HB3 SER 26 -6.432 -6.898 -1.407 143 HG SER 26 HG SER 26 -4.102 -5.798 -0.230 144 H LEU 27 HN LEU 27 -4.635 -9.733 0.430 145 HA LEU 27 HA LEU 27 -6.854 -11.332 -0.396 146 1HB LEU 27 HB2 LEU 27 -3.987 -11.711 0.040 147 2HB LEU 27 HB3 LEU 27 -4.951 -13.109 0.476 148 HG LEU 27 HG LEU 27 -5.990 -12.916 -1.858 149 1HD1 LEU 27 HD11 LEU 27 -5.171 -11.492 -3.407 150 2HD1 LEU 27 HD12 LEU 27 -4.723 -10.548 -1.985 151 3HD1 LEU 27 HD13 LEU 27 -3.528 -11.576 -2.767 152 1HD2 LEU 27 HD21 LEU 27 -3.447 -13.991 -0.972 153 2HD2 LEU 27 HD22 LEU 27 -4.689 -14.729 -1.984 154 3HD2 LEU 27 HD23 LEU 27 -3.464 -13.683 -2.708 155 H ASN 28 HN ASN 28 -5.282 -10.605 2.624 156 HA ASN 28 HA ASN 28 -6.551 -12.672 4.141 157 1HB ASN 28 HB2 ASN 28 -4.415 -10.920 4.519 158 2HB ASN 28 HB3 ASN 28 -5.615 -10.421 5.713 159 1HD2 ASN 28 HD21 ASN 28 -3.324 -12.798 4.809 160 2HD2 ASN 28 HD22 ASN 28 -3.515 -13.827 6.190 161 H LEU 29 HN LEU 29 -6.926 -9.129 4.123 162 HA LEU 29 HA LEU 29 -9.167 -9.098 5.832 163 1HB LEU 29 HB2 LEU 29 -8.098 -7.125 3.834 164 2HB LEU 29 HB3 LEU 29 -9.529 -6.792 4.790 165 HG LEU 29 HG LEU 29 -6.850 -7.447 5.995 166 1HD1 LEU 29 HD11 LEU 29 -6.685 -5.411 4.666 167 2HD1 LEU 29 HD12 LEU 29 -8.104 -4.754 5.486 168 3HD1 LEU 29 HD13 LEU 29 -6.620 -5.052 6.393 169 1HD2 LEU 29 HD21 LEU 29 -9.445 -7.294 7.050 170 2HD2 LEU 29 HD22 LEU 29 -7.918 -7.434 7.923 171 3HD2 LEU 29 HD23 LEU 29 -8.591 -5.843 7.577 172 H GLY 30 HN GLY 30 -8.879 -9.126 2.304 173 1HA GLY 30 HA1 GLY 30 -11.604 -8.729 1.734 174 2HA GLY 30 HA2 GLY 30 -10.434 -9.468 0.652 175 H ASN 31 HN ASN 31 -9.755 -11.763 2.150 176 HA ASN 31 HA ASN 31 -12.073 -13.384 1.595 177 1HB ASN 31 HB2 ASN 31 -9.686 -14.076 1.142 178 2HB ASN 31 HB3 ASN 31 -9.483 -14.270 2.882 179 1HD2 ASN 31 HD21 ASN 31 -12.017 -15.138 0.531 180 2HD2 ASN 31 HD22 ASN 31 -12.111 -16.803 0.999 181 H ARG 32 HN ARG 32 -10.980 -11.708 4.326 182 HA ARG 32 HA ARG 32 -12.328 -13.529 6.168 183 1HB ARG 32 HB2 ARG 32 -10.068 -12.082 6.517 184 2HB ARG 32 HB3 ARG 32 -11.259 -10.972 7.183 185 1HG ARG 32 HG2 ARG 32 -12.074 -12.859 8.627 186 2HG ARG 32 HG3 ARG 32 -10.676 -13.782 8.067 187 1HD ARG 32 HD2 ARG 32 -9.868 -11.168 8.923 188 2HD ARG 32 HD3 ARG 32 -10.789 -11.958 10.200 189 HE ARG 32 HE ARG 32 -8.522 -13.319 8.900 190 1HH1 ARG 32 HH12 ARG 32 -10.134 -12.116 11.782 191 2HH1 ARG 32 HH11 ARG 32 -9.023 -12.901 12.870 192 1HH2 ARG 32 HH22 ARG 32 -7.067 -14.325 10.327 193 2HH2 ARG 32 HH21 ARG 32 -7.250 -14.131 12.046 194 H MET 33 HN MET 33 -13.141 -11.045 4.178 195 HA MET 33 HA MET 33 -15.039 -9.738 5.915 196 1HB MET 33 HB2 MET 33 -13.723 -8.912 3.668 197 2HB MET 33 HB3 MET 33 -15.294 -9.337 3.008 198 1HG MET 33 HG2 MET 33 -16.305 -7.582 3.943 199 2HG MET 33 HG3 MET 33 -15.429 -7.764 5.456 200 1HE MET 33 HE1 MET 33 -15.422 -4.385 4.755 201 2HE MET 33 HE2 MET 33 -15.370 -4.415 2.993 202 3HE MET 33 HE3 MET 33 -16.508 -5.448 3.859 203 H VAL 34 HN VAL 34 -17.347 -9.694 5.373 204 HA VAL 34 HA VAL 34 -18.281 -12.062 3.910 205 HB VAL 34 HB VAL 34 -19.365 -11.274 6.620 206 1HG1 VAL 34 HG11 VAL 34 -19.965 -13.666 4.891 207 2HG1 VAL 34 HG12 VAL 34 -20.667 -13.303 6.465 208 3HG1 VAL 34 HG13 VAL 34 -21.010 -12.256 5.087 209 1HG2 VAL 34 HG21 VAL 34 -17.921 -13.837 6.084 210 2HG2 VAL 34 HG22 VAL 34 -17.016 -12.378 6.488 211 3HG2 VAL 34 HG23 VAL 34 -18.214 -13.017 7.616 212 HA PRO 35 HA PRO 35 -19.414 -12.557 2.362 213 1HB PRO 35 HB2 PRO 35 -19.733 -11.068 -0.144 214 2HB PRO 35 HB3 PRO 35 -20.567 -12.527 0.389 215 1HG PRO 35 HG2 PRO 35 -21.819 -10.171 0.194 216 2HG PRO 35 HG3 PRO 35 -22.228 -11.348 1.454 217 1HD PRO 35 HD2 PRO 35 -20.522 -8.878 1.649 218 2HD PRO 35 HD3 PRO 35 -21.772 -9.472 2.766 219 HA PRO 36 HA PRO 36 -15.149 -11.649 1.751 220 1HB PRO 36 HB2 PRO 36 -15.244 -13.771 -0.338 221 2HB PRO 36 HB3 PRO 36 -14.184 -13.616 1.070 222 1HG PRO 36 HG2 PRO 36 -16.159 -15.371 1.098 223 2HG PRO 36 HG3 PRO 36 -15.815 -14.397 2.541 224 1HD PRO 36 HD2 PRO 36 -17.966 -14.033 0.484 225 2HD PRO 36 HD3 PRO 36 -18.072 -13.905 2.253 226 H VAL 37 HN VAL 37 -14.182 -10.129 0.629 227 HA VAL 37 HA VAL 37 -15.316 -9.239 -1.877 228 HB VAL 37 HB VAL 37 -12.771 -8.089 -0.867 229 1HG1 VAL 37 HG11 VAL 37 -14.394 -6.019 -1.338 230 2HG1 VAL 37 HG12 VAL 37 -13.480 -6.829 -2.611 231 3HG1 VAL 37 HG13 VAL 37 -15.175 -7.234 -2.351 232 1HG2 VAL 37 HG21 VAL 37 -14.536 -6.648 0.583 233 2HG2 VAL 37 HG22 VAL 37 -15.243 -8.261 0.715 234 3HG2 VAL 37 HG23 VAL 37 -13.581 -7.982 1.231 235 H GLY 38 HN GLY 38 -14.649 -9.951 -3.792 236 1HA GLY 38 HA1 GLY 38 -12.542 -11.809 -4.105 237 2HA GLY 38 HA2 GLY 38 -13.329 -10.927 -5.413 238 H ASN 39 HN ASN 39 -12.774 -8.418 -5.026 239 HA ASN 39 HA ASN 39 -9.849 -8.286 -4.954 240 1HB ASN 39 HB2 ASN 39 -9.842 -6.658 -6.688 241 2HB ASN 39 HB3 ASN 39 -10.885 -7.957 -7.232 242 1HD2 ASN 39 HD21 ASN 39 -10.531 -4.756 -7.206 243 2HD2 ASN 39 HD22 ASN 39 -12.175 -4.235 -7.305 244 H PHE 40 HN PHE 40 -9.610 -7.740 -2.870 245 HA PHE 40 HA PHE 40 -11.168 -5.895 -1.428 246 1HB PHE 40 HB2 PHE 40 -9.543 -7.560 -0.453 247 2HB PHE 40 HB3 PHE 40 -8.237 -6.516 -0.992 248 HD1 PHE 40 HD1 PHE 40 -7.232 -5.594 0.872 249 HD2 PHE 40 HD2 PHE 40 -11.486 -5.773 0.695 250 HE1 PHE 40 HE1 PHE 40 -7.374 -4.329 2.980 251 HE2 PHE 40 HE2 PHE 40 -11.634 -4.498 2.793 252 HZ PHE 40 HZ PHE 40 -9.534 -3.817 3.966 253 H MET 41 HN MET 41 -7.949 -5.499 -2.856 254 HA MET 41 HA MET 41 -8.609 -2.725 -3.467 255 1HB MET 41 HB2 MET 41 -7.058 -3.225 -1.363 256 2HB MET 41 HB3 MET 41 -5.832 -3.337 -2.616 257 1HG MET 41 HG2 MET 41 -6.153 -1.098 -1.474 258 2HG MET 41 HG3 MET 41 -6.088 -1.107 -3.237 259 1HE MET 41 HE1 MET 41 -8.463 1.252 -0.909 260 2HE MET 41 HE2 MET 41 -9.173 -0.230 -0.263 261 3HE MET 41 HE3 MET 41 -7.423 -0.031 -0.288 262 HA PRO 42 HA PRO 42 -7.327 -4.246 -7.419 263 1HB PRO 42 HB2 PRO 42 -7.168 -1.387 -8.136 264 2HB PRO 42 HB3 PRO 42 -8.140 -2.679 -8.851 265 1HG PRO 42 HG2 PRO 42 -9.251 -0.782 -7.332 266 2HG PRO 42 HG3 PRO 42 -9.822 -2.461 -7.270 267 1HD PRO 42 HD2 PRO 42 -8.025 -0.994 -5.360 268 2HD PRO 42 HD3 PRO 42 -9.351 -2.127 -5.016 269 H ASP 43 HN ASP 43 -5.498 -4.424 -8.625 270 HA ASP 43 HA ASP 43 -3.022 -4.111 -7.432 271 1HB ASP 43 HB2 ASP 43 -3.811 -5.460 -9.562 272 2HB ASP 43 HB3 ASP 43 -3.231 -4.043 -10.425 273 H SER 44 HN SER 44 -4.744 -1.942 -9.588 274 HA SER 44 HA SER 44 -2.660 -0.128 -10.068 275 1HB SER 44 HB2 SER 44 -5.055 1.323 -10.166 276 2HB SER 44 HB3 SER 44 -4.268 0.495 -11.510 277 HG SER 44 HG SER 44 -6.097 -0.572 -11.528 278 H ILE 45 HN ILE 45 -5.334 -0.024 -7.740 279 HA ILE 45 HA ILE 45 -4.553 2.369 -6.490 280 HB ILE 45 HB ILE 45 -6.142 0.154 -5.186 281 1HG1 ILE 45 HG12 ILE 45 -7.071 0.772 -7.435 282 2HG1 ILE 45 HG13 ILE 45 -8.151 1.144 -6.093 283 1HG2 ILE 45 HG21 ILE 45 -5.292 2.065 -3.796 284 2HG2 ILE 45 HG22 ILE 45 -6.301 3.128 -4.777 285 3HG2 ILE 45 HG23 ILE 45 -7.044 1.859 -3.803 286 1HD1 ILE 45 HD11 ILE 45 -6.521 3.424 -6.641 287 2HD1 ILE 45 HD12 ILE 45 -7.254 2.857 -8.142 288 3HD1 ILE 45 HD13 ILE 45 -8.270 3.251 -6.754 289 H LEU 46 HN LEU 46 -3.763 -1.002 -5.844 290 HA LEU 46 HA LEU 46 -2.513 -0.597 -3.359 291 1HB LEU 46 HB2 LEU 46 -1.992 -2.672 -5.484 292 2HB LEU 46 HB3 LEU 46 -1.276 -2.715 -3.888 293 HG LEU 46 HG LEU 46 -4.259 -2.734 -4.309 294 1HD1 LEU 46 HD11 LEU 46 -2.279 -4.964 -4.485 295 2HD1 LEU 46 HD12 LEU 46 -3.864 -5.265 -3.770 296 3HD1 LEU 46 HD13 LEU 46 -3.741 -4.676 -5.427 297 1HD2 LEU 46 HD21 LEU 46 -3.938 -2.276 -2.088 298 2HD2 LEU 46 HD22 LEU 46 -3.911 -4.045 -2.042 299 3HD2 LEU 46 HD23 LEU 46 -2.397 -3.130 -2.021 300 H LYS 47 HN LYS 47 -1.358 -0.256 -6.665 301 HA LYS 47 HA LYS 47 1.382 0.012 -5.950 302 1HB LYS 47 HB2 LYS 47 -0.214 0.433 -8.429 303 2HB LYS 47 HB3 LYS 47 1.395 1.131 -8.346 304 1HG LYS 47 HG2 LYS 47 2.439 -0.905 -8.304 305 2HG LYS 47 HG3 LYS 47 1.040 -1.720 -7.602 306 1HD LYS 47 HD2 LYS 47 -0.143 -1.414 -9.777 307 2HD LYS 47 HD3 LYS 47 1.350 -0.763 -10.453 308 1HE LYS 47 HE2 LYS 47 2.498 -2.834 -10.119 309 2HE LYS 47 HE3 LYS 47 1.155 -3.489 -9.188 310 1HZ LYS 47 HZ1 LYS 47 0.092 -4.106 -11.030 311 2HZ LYS 47 HZ2 LYS 47 1.580 -3.889 -11.825 312 3HZ LYS 47 HZ3 LYS 47 0.421 -2.652 -11.850 313 H LYS 48 HN LYS 48 -1.180 2.388 -6.643 314 HA LYS 48 HA LYS 48 0.591 4.614 -6.349 315 1HB LYS 48 HB2 LYS 48 -1.703 5.862 -6.077 316 2HB LYS 48 HB3 LYS 48 -1.218 5.228 -7.640 317 1HG LYS 48 HG2 LYS 48 -2.605 3.210 -7.178 318 2HG LYS 48 HG3 LYS 48 -3.175 4.004 -5.710 319 1HD LYS 48 HD2 LYS 48 -4.775 4.296 -7.520 320 2HD LYS 48 HD3 LYS 48 -4.075 5.840 -7.048 321 1HE LYS 48 HE2 LYS 48 -2.399 4.848 -9.060 322 2HE LYS 48 HE3 LYS 48 -4.043 4.518 -9.612 323 1HZ LYS 48 HZ1 LYS 48 -2.654 7.016 -9.405 324 2HZ LYS 48 HZ2 LYS 48 -4.184 7.062 -8.667 325 3HZ LYS 48 HZ3 LYS 48 -4.046 6.625 -10.295 326 H MET 49 HN MET 49 -1.713 2.983 -4.257 327 HA MET 49 HA MET 49 -1.487 4.798 -2.114 328 1HB MET 49 HB2 MET 49 -3.077 3.574 -1.163 329 2HB MET 49 HB3 MET 49 -3.131 2.705 -2.686 330 1HG MET 49 HG2 MET 49 -1.128 1.412 -1.410 331 2HG MET 49 HG3 MET 49 -2.171 1.878 -0.073 332 1HE MET 49 HE1 MET 49 -5.375 -0.104 -0.613 333 2HE MET 49 HE2 MET 49 -4.307 0.676 0.557 334 3HE MET 49 HE3 MET 49 -5.036 1.622 -0.740 335 H ALA 50 HN ALA 50 0.446 2.066 -3.091 336 HA ALA 50 HA ALA 50 1.912 1.943 -0.610 337 1HB ALA 50 HB1 ALA 50 3.367 0.721 -2.724 338 2HB ALA 50 HB2 ALA 50 2.468 -0.053 -1.418 339 3HB ALA 50 HB3 ALA 50 1.660 0.330 -2.937 340 H ALA 51 HN ALA 51 2.164 3.595 -3.656 341 HA ALA 51 HA ALA 51 4.921 4.337 -3.271 342 1HB ALA 51 HB1 ALA 51 2.866 4.832 -5.374 343 2HB ALA 51 HB2 ALA 51 4.312 5.840 -5.316 344 3HB ALA 51 HB3 ALA 51 4.466 4.095 -5.505 345 H ILE 52 HN ILE 52 1.770 5.931 -2.991 346 HA ILE 52 HA ILE 52 3.003 8.470 -2.297 347 HB ILE 52 HB ILE 52 0.218 7.515 -2.811 348 1HG1 ILE 52 HG12 ILE 52 0.551 9.948 -4.029 349 2HG1 ILE 52 HG13 ILE 52 2.195 9.314 -4.028 350 1HG2 ILE 52 HG21 ILE 52 -0.803 9.498 -2.001 351 2HG2 ILE 52 HG22 ILE 52 0.179 8.845 -0.690 352 3HG2 ILE 52 HG23 ILE 52 0.761 10.223 -1.623 353 1HD1 ILE 52 HD11 ILE 52 0.473 7.233 -4.862 354 2HD1 ILE 52 HD12 ILE 52 0.061 8.686 -5.776 355 3HD1 ILE 52 HD13 ILE 52 1.718 8.070 -5.785 356 H LEU 53 HN LEU 53 1.327 5.815 -0.755 357 HA LEU 53 HA LEU 53 0.931 5.246 1.397 358 1HB LEU 53 HB2 LEU 53 3.514 6.696 1.463 359 2HB LEU 53 HB3 LEU 53 2.720 6.443 3.008 360 HG LEU 53 HG LEU 53 3.480 4.260 1.052 361 1HD1 LEU 53 HD11 LEU 53 4.820 3.823 3.403 362 2HD1 LEU 53 HD12 LEU 53 5.505 4.512 1.929 363 3HD1 LEU 53 HD13 LEU 53 4.916 5.575 3.207 364 1HD2 LEU 53 HD21 LEU 53 1.917 4.304 3.582 365 2HD2 LEU 53 HD22 LEU 53 1.704 3.325 2.129 366 3HD2 LEU 53 HD23 LEU 53 2.986 2.936 3.273 367 HA PRO 54 HA PRO 54 -1.169 9.329 2.327 368 1HB PRO 54 HB2 PRO 54 -3.686 7.960 1.863 369 2HB PRO 54 HB3 PRO 54 -3.019 9.365 1.028 370 1HG PRO 54 HG2 PRO 54 -3.308 6.924 -0.148 371 2HG PRO 54 HG3 PRO 54 -2.066 8.094 -0.625 372 1HD PRO 54 HD2 PRO 54 -1.822 5.672 1.112 373 2HD PRO 54 HD3 PRO 54 -0.711 6.290 -0.131 374 H MET 55 HN MET 55 -1.059 9.464 4.498 375 HA MET 55 HA MET 55 -1.611 7.333 6.268 376 1HB MET 55 HB2 MET 55 -0.932 10.210 6.519 377 2HB MET 55 HB3 MET 55 -1.701 9.467 7.917 378 1HG MET 55 HG2 MET 55 0.090 7.644 7.662 379 2HG MET 55 HG3 MET 55 0.915 8.810 6.628 380 1HE MET 55 HE1 MET 55 -0.073 7.679 10.069 381 2HE MET 55 HE2 MET 55 1.646 7.423 9.772 382 3HE MET 55 HE3 MET 55 1.127 8.516 11.055 383 H ASN 56 HN ASN 56 -3.680 9.776 4.911 384 HA ASN 56 HA ASN 56 -5.928 8.500 6.213 385 1HB ASN 56 HB2 ASN 56 -4.939 10.618 7.534 386 2HB ASN 56 HB3 ASN 56 -6.031 11.441 6.426 387 1HD2 ASN 56 HD21 ASN 56 -6.346 11.422 9.179 388 2HD2 ASN 56 HD22 ASN 56 -7.796 10.559 9.561 389 H ASP 57 HN ASP 57 -7.969 9.992 5.598 390 HA ASP 57 HA ASP 57 -8.440 9.545 2.878 391 1HB ASP 57 HB2 ASP 57 -9.889 10.816 5.127 392 2HB ASP 57 HB3 ASP 57 -10.406 11.288 3.513 393 H SER 58 HN SER 58 -7.339 12.429 4.543 394 HA SER 58 HA SER 58 -7.891 14.325 2.555 395 1HB SER 58 HB2 SER 58 -5.444 14.920 3.970 396 2HB SER 58 HB3 SER 58 -7.017 15.721 4.065 397 HG SER 58 HG SER 58 -7.648 14.317 5.639 398 H ALA 59 HN ALA 59 -4.925 12.467 3.171 399 HA ALA 59 HA ALA 59 -3.437 13.537 1.025 400 1HB ALA 59 HB1 ALA 59 -2.806 10.775 1.824 401 2HB ALA 59 HB2 ALA 59 -1.780 12.210 1.771 402 3HB ALA 59 HB3 ALA 59 -2.858 11.949 3.140 403 H PHE 60 HN PHE 60 -5.849 11.047 1.167 404 HA PHE 60 HA PHE 60 -5.290 9.454 -0.994 405 1HB PHE 60 HB2 PHE 60 -7.831 10.293 0.311 406 2HB PHE 60 HB3 PHE 60 -7.906 9.370 -1.192 407 HD1 PHE 60 HD1 PHE 60 -8.819 8.486 1.623 408 HD2 PHE 60 HD2 PHE 60 -5.233 7.888 -0.590 409 HE1 PHE 60 HE1 PHE 60 -8.391 6.405 2.868 410 HE2 PHE 60 HE2 PHE 60 -4.808 5.813 0.650 411 HZ PHE 60 HZ PHE 60 -6.377 5.072 2.363 412 H ALA 61 HN ALA 61 -6.321 12.754 -1.100 413 HA ALA 61 HA ALA 61 -7.496 12.864 -3.621 414 1HB ALA 61 HB1 ALA 61 -6.106 14.810 -1.873 415 2HB ALA 61 HB2 ALA 61 -6.306 15.244 -3.572 416 3HB ALA 61 HB3 ALA 61 -7.718 14.869 -2.588 417 H THR 62 HN THR 62 -4.183 12.377 -2.757 418 HA THR 62 HA THR 62 -3.055 13.128 -5.294 419 HB THR 62 HB THR 62 -0.979 12.142 -4.419 420 HG1 THR 62 HG1 THR 62 -2.365 11.668 -1.986 421 1HG2 THR 62 HG21 THR 62 -2.310 14.408 -3.516 422 2HG2 THR 62 HG22 THR 62 -0.592 14.055 -3.329 423 3HG2 THR 62 HG23 THR 62 -1.723 13.630 -2.045 424 H LEU 63 HN LEU 63 -4.397 10.280 -3.877 425 HA LEU 63 HA LEU 63 -3.235 8.306 -5.560 426 1HB LEU 63 HB2 LEU 63 -5.760 8.417 -3.914 427 2HB LEU 63 HB3 LEU 63 -5.397 7.035 -4.925 428 HG LEU 63 HG LEU 63 -4.091 7.918 -2.382 429 1HD1 LEU 63 HD11 LEU 63 -5.894 5.999 -2.956 430 2HD1 LEU 63 HD12 LEU 63 -4.398 5.090 -3.161 431 3HD1 LEU 63 HD13 LEU 63 -4.743 5.891 -1.624 432 1HD2 LEU 63 HD21 LEU 63 -2.207 7.799 -3.824 433 2HD2 LEU 63 HD22 LEU 63 -2.260 6.307 -2.879 434 3HD2 LEU 63 HD23 LEU 63 -2.795 6.305 -4.561 435 H GLY 64 HN GLY 64 -5.978 10.414 -5.774 436 1HA GLY 64 HA1 GLY 64 -6.552 11.108 -8.082 437 2HA GLY 64 HA2 GLY 64 -6.558 9.390 -8.477 438 H THR 65 HN THR 65 -8.718 9.594 -9.179 439 HA THR 65 HA THR 65 -10.721 10.339 -7.243 440 HB THR 65 HB THR 65 -11.858 9.189 -9.553 441 HG1 THR 65 HG1 THR 65 -10.777 10.193 -11.188 442 1HG2 THR 65 HG21 THR 65 -11.838 11.697 -8.087 443 2HG2 THR 65 HG22 THR 65 -13.175 10.873 -8.892 444 3HG2 THR 65 HG23 THR 65 -12.085 11.907 -9.819 445 H VAL 66 HN VAL 66 -9.918 8.440 -5.802 446 HA VAL 66 HA VAL 66 -10.593 5.777 -6.598 447 HB VAL 66 HB VAL 66 -10.688 5.418 -3.998 448 1HG1 VAL 66 HG11 VAL 66 -8.114 5.500 -3.930 449 2HG1 VAL 66 HG12 VAL 66 -8.878 4.461 -5.134 450 3HG1 VAL 66 HG13 VAL 66 -8.227 6.029 -5.612 451 1HG2 VAL 66 HG21 VAL 66 -9.592 7.030 -2.653 452 2HG2 VAL 66 HG22 VAL 66 -9.140 7.995 -4.062 453 3HG2 VAL 66 HG23 VAL 66 -10.830 7.888 -3.570 454 H GLU 67 HN GLU 67 -12.466 4.699 -6.482 455 HA GLU 67 HA GLU 67 -14.893 6.055 -6.409 456 1HB GLU 67 HB2 GLU 67 -14.298 3.751 -7.380 457 2HB GLU 67 HB3 GLU 67 -14.615 3.135 -5.764 458 1HG GLU 67 HG2 GLU 67 -16.484 2.988 -7.470 459 2HG GLU 67 HG3 GLU 67 -16.878 3.666 -5.894 460 H ASP 68 HN ASP 68 -16.639 5.994 -4.955 461 HA ASP 68 HA ASP 68 -16.039 6.607 -2.292 462 1HB ASP 68 HB2 ASP 68 -18.077 7.478 -2.679 463 2HB ASP 68 HB3 ASP 68 -18.429 6.315 -3.947 464 H LYS 69 HN LYS 69 -17.106 3.554 -3.765 465 HA LYS 69 HA LYS 69 -17.439 2.203 -1.280 466 1HB LYS 69 HB2 LYS 69 -17.896 0.288 -2.509 467 2HB LYS 69 HB3 LYS 69 -18.416 1.583 -3.577 468 1HG LYS 69 HG2 LYS 69 -15.682 1.012 -4.130 469 2HG LYS 69 HG3 LYS 69 -16.572 -0.507 -4.096 470 1HD LYS 69 HD2 LYS 69 -17.282 1.925 -5.738 471 2HD LYS 69 HD3 LYS 69 -16.530 0.452 -6.345 472 1HE LYS 69 HE2 LYS 69 -18.460 -0.765 -6.200 473 2HE LYS 69 HE3 LYS 69 -19.106 0.206 -4.880 474 1HZ LYS 69 HZ1 LYS 69 -20.300 1.299 -6.370 475 2HZ LYS 69 HZ2 LYS 69 -19.581 0.436 -7.647 476 3HZ LYS 69 HZ3 LYS 69 -18.880 1.871 -7.096 477 H TYR 70 HN TYR 70 -14.715 2.897 -3.301 478 HA TYR 70 HA TYR 70 -13.035 0.890 -2.071 479 1HB TYR 70 HB2 TYR 70 -12.595 3.021 -4.145 480 2HB TYR 70 HB3 TYR 70 -11.205 2.259 -3.367 481 HD1 TYR 70 HD1 TYR 70 -13.334 2.084 -6.140 482 HD2 TYR 70 HD2 TYR 70 -11.394 -0.419 -3.298 483 HE1 TYR 70 HE1 TYR 70 -13.465 0.190 -7.711 484 HE2 TYR 70 HE2 TYR 70 -11.520 -2.310 -4.857 485 HH TYR 70 HH TYR 70 -11.846 -2.847 -7.082 486 H ARG 71 HN ARG 71 -13.667 4.327 -1.791 487 HA ARG 71 HA ARG 71 -11.550 4.962 -0.016 488 1HB ARG 71 HB2 ARG 71 -13.372 6.435 -1.328 489 2HB ARG 71 HB3 ARG 71 -14.118 6.390 0.265 490 1HG ARG 71 HG2 ARG 71 -12.559 7.705 1.188 491 2HG ARG 71 HG3 ARG 71 -11.250 6.985 0.247 492 1HD ARG 71 HD2 ARG 71 -11.486 9.253 -0.447 493 2HD ARG 71 HD3 ARG 71 -12.099 8.216 -1.735 494 HE ARG 71 HE ARG 71 -13.858 9.610 0.185 495 1HH1 ARG 71 HH12 ARG 71 -13.040 8.652 -3.075 496 2HH1 ARG 71 HH11 ARG 71 -14.528 9.222 -3.762 497 1HH2 ARG 71 HH22 ARG 71 -15.816 10.372 -0.703 498 2HH2 ARG 71 HH21 ARG 71 -16.128 10.192 -2.408 499 H ARG 72 HN ARG 72 -14.793 3.674 0.378 500 HA ARG 72 HA ARG 72 -15.154 3.992 3.096 501 1HB ARG 72 HB2 ARG 72 -16.610 3.178 1.071 502 2HB ARG 72 HB3 ARG 72 -16.107 1.593 1.631 503 1HG ARG 72 HG2 ARG 72 -16.958 2.371 3.923 504 2HG ARG 72 HG3 ARG 72 -17.788 3.627 2.988 505 1HD ARG 72 HD2 ARG 72 -19.302 2.186 2.270 506 2HD ARG 72 HD3 ARG 72 -18.021 1.125 1.677 507 HE ARG 72 HE ARG 72 -18.002 0.024 3.809 508 1HH1 ARG 72 HH12 ARG 72 -20.698 2.181 3.248 509 2HH1 ARG 72 HH11 ARG 72 -21.665 1.521 4.533 510 1HH2 ARG 72 HH22 ARG 72 -19.278 -0.890 5.456 511 2HH2 ARG 72 HH21 ARG 72 -20.864 -0.248 5.771 512 H ARG 73 HN ARG 73 -14.355 0.857 1.516 513 HA ARG 73 HA ARG 73 -13.507 -0.313 3.954 514 1HB ARG 73 HB2 ARG 73 -13.430 -2.252 2.808 515 2HB ARG 73 HB3 ARG 73 -14.250 -1.322 1.563 516 1HG ARG 73 HG2 ARG 73 -11.284 -1.337 1.548 517 2HG ARG 73 HG3 ARG 73 -12.131 -2.807 1.057 518 1HD ARG 73 HD2 ARG 73 -13.469 -0.677 -0.165 519 2HD ARG 73 HD3 ARG 73 -11.748 -0.372 -0.395 520 HE ARG 73 HE ARG 73 -11.547 -2.470 -1.515 521 1HH1 ARG 73 HH12 ARG 73 -14.862 -1.539 -0.839 522 2HH1 ARG 73 HH11 ARG 73 -15.540 -2.664 -1.982 523 1HH2 ARG 73 HH22 ARG 73 -12.410 -3.900 -3.035 524 2HH2 ARG 73 HH21 ARG 73 -14.133 -4.005 -3.256 525 H PHE 74 HN PHE 74 -12.011 1.975 2.141 526 HA PHE 74 HA PHE 74 -9.296 1.285 2.058 527 1HB PHE 74 HB2 PHE 74 -10.829 3.640 1.654 528 2HB PHE 74 HB3 PHE 74 -9.604 4.045 2.847 529 HD1 PHE 74 HD1 PHE 74 -10.177 4.627 -0.302 530 HD2 PHE 74 HD2 PHE 74 -7.335 2.451 1.989 531 HE1 PHE 74 HE1 PHE 74 -8.541 4.863 -2.119 532 HE2 PHE 74 HE2 PHE 74 -5.685 2.683 0.183 533 HZ PHE 74 HZ PHE 74 -6.253 4.014 -1.831 534 H LYS 75 HN LYS 75 -11.409 2.289 4.599 535 HA LYS 75 HA LYS 75 -9.741 3.103 6.637 536 1HB LYS 75 HB2 LYS 75 -11.520 2.354 8.158 537 2HB LYS 75 HB3 LYS 75 -12.175 3.201 6.763 538 1HG LYS 75 HG2 LYS 75 -12.628 0.964 5.719 539 2HG LYS 75 HG3 LYS 75 -12.161 0.231 7.262 540 1HD LYS 75 HD2 LYS 75 -14.138 2.379 7.506 541 2HD LYS 75 HD3 LYS 75 -14.688 0.982 6.580 542 1HE LYS 75 HE2 LYS 75 -13.416 -0.143 8.761 543 2HE LYS 75 HE3 LYS 75 -14.247 1.260 9.435 544 1HZ LYS 75 HZ1 LYS 75 -15.363 -1.160 8.232 545 2HZ LYS 75 HZ2 LYS 75 -16.204 0.299 7.974 546 3HZ LYS 75 HZ3 LYS 75 -15.931 -0.250 9.543 547 H TYR 76 HN TYR 76 -10.236 -0.140 5.404 548 HA TYR 76 HA TYR 76 -9.109 -1.426 7.720 549 1HB TYR 76 HB2 TYR 76 -9.772 -2.511 4.974 550 2HB TYR 76 HB3 TYR 76 -9.237 -3.490 6.339 551 HD1 TYR 76 HD1 TYR 76 -12.028 -2.580 4.565 552 HD2 TYR 76 HD2 TYR 76 -10.680 -2.878 8.586 553 HE1 TYR 76 HE1 TYR 76 -14.358 -2.797 5.324 554 HE2 TYR 76 HE2 TYR 76 -13.000 -3.097 9.358 555 HH TYR 76 HH TYR 76 -15.632 -2.310 7.606 556 H PHE 77 HN PHE 77 -7.817 0.283 5.188 557 HA PHE 77 HA PHE 77 -5.241 -1.139 5.370 558 1HB PHE 77 HB2 PHE 77 -6.612 0.342 3.194 559 2HB PHE 77 HB3 PHE 77 -4.875 0.538 3.308 560 HD1 PHE 77 HD1 PHE 77 -6.772 -0.814 1.202 561 HD2 PHE 77 HD2 PHE 77 -4.207 -2.265 4.263 562 HE1 PHE 77 HE1 PHE 77 -6.471 -2.899 -0.050 563 HE2 PHE 77 HE2 PHE 77 -3.908 -4.364 3.016 564 HZ PHE 77 HZ PHE 77 -5.034 -4.670 0.846 565 H LYS 78 HN LYS 78 -6.958 1.686 6.169 566 HA LYS 78 HA LYS 78 -4.991 3.660 6.079 567 1HB LYS 78 HB2 LYS 78 -7.640 3.453 7.004 568 2HB LYS 78 HB3 LYS 78 -6.701 4.021 8.375 569 1HG LYS 78 HG2 LYS 78 -6.618 6.062 7.538 570 2HG LYS 78 HG3 LYS 78 -5.937 5.460 6.026 571 1HD LYS 78 HD2 LYS 78 -7.939 6.534 5.418 572 2HD LYS 78 HD3 LYS 78 -8.310 4.809 5.393 573 1HE LYS 78 HE2 LYS 78 -10.036 5.271 6.724 574 2HE LYS 78 HE3 LYS 78 -8.862 5.586 7.997 575 1HZ LYS 78 HZ1 LYS 78 -8.830 7.902 7.393 576 2HZ LYS 78 HZ2 LYS 78 -10.439 7.431 7.664 577 3HZ LYS 78 HZ3 LYS 78 -9.875 7.630 6.084 578 H ALA 79 HN ALA 79 -5.558 1.161 8.473 579 HA ALA 79 HA ALA 79 -3.850 2.315 10.455 580 1HB ALA 79 HB1 ALA 79 -3.914 -0.100 11.368 581 2HB ALA 79 HB2 ALA 79 -5.402 0.846 11.350 582 3HB ALA 79 HB3 ALA 79 -5.115 -0.375 10.106 583 H THR 80 HN THR 80 -3.423 0.098 7.791 584 HA THR 80 HA THR 80 -0.740 -0.638 8.538 585 HB THR 80 HB THR 80 -1.691 -1.041 5.769 586 HG1 THR 80 HG1 THR 80 -2.857 -2.498 7.915 587 1HG2 THR 80 HG21 THR 80 -0.357 -2.689 7.898 588 2HG2 THR 80 HG22 THR 80 0.313 -2.136 6.364 589 3HG2 THR 80 HG23 THR 80 -0.925 -3.393 6.385 590 H ILE 81 HN ILE 81 -2.226 1.389 6.006 591 HA ILE 81 HA ILE 81 0.174 2.135 4.750 592 HB ILE 81 HB ILE 81 -2.454 3.635 4.916 593 1HG1 ILE 81 HG12 ILE 81 -1.374 1.889 2.707 594 2HG1 ILE 81 HG13 ILE 81 -2.510 1.328 3.931 595 1HG2 ILE 81 HG21 ILE 81 -0.268 3.988 2.882 596 2HG2 ILE 81 HG22 ILE 81 -1.777 4.896 3.004 597 3HG2 ILE 81 HG23 ILE 81 -0.538 5.066 4.252 598 1HD1 ILE 81 HD11 ILE 81 -4.252 2.461 3.026 599 2HD1 ILE 81 HD12 ILE 81 -3.239 3.755 2.395 600 3HD1 ILE 81 HD13 ILE 81 -3.309 2.195 1.561 601 H ALA 82 HN ALA 82 -1.478 3.376 7.579 602 HA ALA 82 HA ALA 82 0.076 5.760 7.858 603 1HB ALA 82 HB1 ALA 82 -1.158 4.417 10.218 604 2HB ALA 82 HB2 ALA 82 -1.111 6.130 9.794 605 3HB ALA 82 HB3 ALA 82 -2.216 5.042 8.953 606 H ASP 83 HN ASP 83 0.538 2.433 8.626 607 HA ASP 83 HA ASP 83 2.734 2.962 10.475 608 1HB ASP 83 HB2 ASP 83 0.961 0.974 10.534 609 2HB ASP 83 HB3 ASP 83 2.157 0.206 9.492 610 H LEU 84 HN LEU 84 2.185 1.692 7.242 611 HA LEU 84 HA LEU 84 4.749 0.794 6.669 612 1HB LEU 84 HB2 LEU 84 2.632 1.937 4.864 613 2HB LEU 84 HB3 LEU 84 4.137 1.253 4.269 614 HG LEU 84 HG LEU 84 2.472 -0.414 6.095 615 1HD1 LEU 84 HD11 LEU 84 1.543 -1.177 3.676 616 2HD1 LEU 84 HD12 LEU 84 0.675 -0.108 4.782 617 3HD1 LEU 84 HD13 LEU 84 1.624 0.573 3.464 618 1HD2 LEU 84 HD21 LEU 84 3.889 -1.988 5.407 619 2HD2 LEU 84 HD22 LEU 84 3.488 -1.666 3.719 620 3HD2 LEU 84 HD23 LEU 84 4.768 -0.749 4.512 621 H SER 85 HN SER 85 3.538 4.069 6.790 622 HA SER 85 HA SER 85 5.584 5.282 5.269 623 1HB SER 85 HB2 SER 85 4.721 7.166 7.137 624 2HB SER 85 HB3 SER 85 4.038 6.888 5.538 625 HG SER 85 HG SER 85 2.366 5.924 6.374 626 H LYS 86 HN LYS 86 5.359 4.152 8.557 627 HA LYS 86 HA LYS 86 7.855 5.455 9.345 628 1HB LYS 86 HB2 LYS 86 5.970 3.627 10.864 629 2HB LYS 86 HB3 LYS 86 7.415 4.348 11.554 630 1HG LYS 86 HG2 LYS 86 6.294 6.182 12.077 631 2HG LYS 86 HG3 LYS 86 5.781 6.405 10.401 632 1HD LYS 86 HD2 LYS 86 3.791 6.221 11.667 633 2HD LYS 86 HD3 LYS 86 3.997 4.661 10.868 634 1HE LYS 86 HE2 LYS 86 5.201 3.985 13.072 635 2HE LYS 86 HE3 LYS 86 4.367 5.381 13.753 636 1HZ LYS 86 HZ1 LYS 86 3.168 2.941 12.564 637 2HZ LYS 86 HZ2 LYS 86 2.263 4.352 12.853 638 3HZ LYS 86 HZ3 LYS 86 2.994 3.535 14.140 639 H LYS 87 HN LYS 87 6.510 2.342 8.534 640 HA LYS 87 HA LYS 87 8.709 0.721 9.258 641 1HB LYS 87 HB2 LYS 87 6.551 0.283 7.182 642 2HB LYS 87 HB3 LYS 87 7.655 -0.956 7.759 643 1HG LYS 87 HG2 LYS 87 6.227 0.410 9.886 644 2HG LYS 87 HG3 LYS 87 5.173 -0.411 8.731 645 1HD LYS 87 HD2 LYS 87 6.089 -2.489 9.165 646 2HD LYS 87 HD3 LYS 87 7.571 -1.809 9.844 647 1HE LYS 87 HE2 LYS 87 5.106 -1.045 11.211 648 2HE LYS 87 HE3 LYS 87 5.508 -2.759 11.324 649 1HZ LYS 87 HZ1 LYS 87 7.790 -1.958 12.055 650 2HZ LYS 87 HZ2 LYS 87 6.520 -1.757 13.159 651 3HZ LYS 87 HZ3 LYS 87 7.078 -0.426 12.263 652 H ARG 88 HN ARG 88 8.080 2.752 6.510 653 HA ARG 88 HA ARG 88 9.781 1.590 4.609 654 1HB ARG 88 HB2 ARG 88 8.087 3.628 4.491 655 2HB ARG 88 HB3 ARG 88 9.552 4.557 4.746 656 1HG ARG 88 HG2 ARG 88 10.429 3.014 2.780 657 2HG ARG 88 HG3 ARG 88 8.701 2.961 2.414 658 1HD ARG 88 HD2 ARG 88 8.924 4.935 1.411 659 2HD ARG 88 HD3 ARG 88 9.276 5.646 2.983 660 HE ARG 88 HE ARG 88 11.672 5.117 2.478 661 1HH1 ARG 88 HH12 ARG 88 9.324 5.504 -0.118 662 2HH1 ARG 88 HH11 ARG 88 10.505 6.053 -1.277 663 1HH2 ARG 88 HH22 ARG 88 13.240 5.806 0.933 664 2HH2 ARG 88 HH21 ARG 88 12.733 6.191 -0.683 665 H SER 89 HN SER 89 10.417 3.547 7.400 666 HA SER 89 HA SER 89 13.242 3.779 6.649 667 1HB SER 89 HB2 SER 89 12.570 5.153 9.112 668 2HB SER 89 HB3 SER 89 13.185 5.825 7.599 669 HG SER 89 HG SER 89 11.255 6.722 7.635 670 H SER 90 HN SER 90 11.125 2.850 9.365 671 HA SER 90 HA SER 90 13.214 0.970 10.228 672 1HB SER 90 HB2 SER 90 11.502 2.148 12.345 673 2HB SER 90 HB3 SER 90 13.207 1.694 12.398 674 HG SER 90 HG SER 90 12.012 4.073 11.435 675 H GLU 91 HN GLU 91 12.270 -0.863 9.478 676 HA GLU 91 HA GLU 91 9.479 -1.383 9.630 677 1HB GLU 91 HB2 GLU 91 9.996 -3.553 8.761 678 2HB GLU 91 HB3 GLU 91 11.014 -2.384 7.945 679 1HG GLU 91 HG2 GLU 91 11.928 -4.038 10.265 680 2HG GLU 91 HG3 GLU 91 12.114 -4.536 8.586
Contact the webmaster for help, if required. Thursday, May 16, 2024 5:51:39 PM GMT (wattos1)