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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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12591 |
1t4z ![]() ![]() |
5141 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -1.070 -17.820 37.032 2 2H GLY 1 HT2 GLY 1 -2.261 -16.913 37.835 3 3H GLY 1 HT3 GLY 1 -2.006 -16.700 36.169 4 1HA GLY 1 HA2 GLY 1 -2.544 -19.251 36.098 5 2HA GLY 1 HA1 GLY 1 -3.404 -18.845 37.584 6 H SER 2 HN SER 2 -4.842 -16.861 37.427 7 HA SER 2 HA SER 2 -6.386 -17.047 34.935 8 1HB SER 2 HB2 SER 2 -8.227 -16.187 36.167 9 2HB SER 2 HB1 SER 2 -7.438 -17.344 37.235 10 HG SER 2 HG SER 2 -7.350 -15.707 38.554 11 H SER 3 HN SER 3 -7.142 -15.164 33.850 12 HA SER 3 HA SER 3 -5.334 -12.848 34.157 13 1HB SER 3 HB2 SER 3 -5.802 -12.347 31.837 14 2HB SER 3 HB1 SER 3 -5.329 -14.040 31.959 15 HG SER 3 HG SER 3 -8.009 -13.095 31.974 16 H LEU 4 HN LEU 4 -6.143 -10.821 34.478 17 HA LEU 4 HA LEU 4 -9.002 -10.656 35.107 18 1HB LEU 4 HB2 LEU 4 -7.391 -9.869 36.807 19 2HB LEU 4 HB1 LEU 4 -6.763 -8.692 35.654 20 HG LEU 4 HG LEU 4 -9.235 -7.888 35.478 21 1HD1 LEU 4 HD11 LEU 4 -10.729 -8.479 37.154 22 2HD1 LEU 4 HD12 LEU 4 -9.449 -8.891 38.293 23 3HD1 LEU 4 HD13 LEU 4 -9.850 -9.997 36.982 24 1HD2 LEU 4 HD21 LEU 4 -8.810 -6.251 37.132 25 2HD2 LEU 4 HD22 LEU 4 -7.200 -6.789 36.655 26 3HD2 LEU 4 HD23 LEU 4 -7.921 -7.384 38.149 27 H SER 5 HN SER 5 -6.519 -8.931 33.236 28 HA SER 5 HA SER 5 -8.654 -7.980 31.432 29 1HB SER 5 HB2 SER 5 -6.363 -6.158 31.794 30 2HB SER 5 HB1 SER 5 -8.078 -5.799 31.623 31 HG SER 5 HG SER 5 -8.316 -5.918 33.728 32 HA PRO 6 HA PRO 6 -5.108 -10.356 29.373 33 1HB PRO 6 HB2 PRO 6 -7.072 -11.125 27.416 34 2HB PRO 6 HB1 PRO 6 -6.222 -12.152 28.580 35 1HG PRO 6 HG2 PRO 6 -8.932 -11.103 28.673 36 2HG PRO 6 HG1 PRO 6 -8.195 -12.405 29.615 37 1HD PRO 6 HD2 PRO 6 -8.891 -9.950 30.650 38 2HD PRO 6 HD1 PRO 6 -7.652 -11.009 31.352 39 H GLN 7 HN GLN 7 -3.962 -9.633 27.639 40 HA GLN 7 HA GLN 7 -5.051 -7.310 26.182 41 1HB GLN 7 HB2 GLN 7 -2.973 -6.940 27.468 42 2HB GLN 7 HB1 GLN 7 -2.183 -8.216 26.542 43 1HG GLN 7 HG2 GLN 7 -2.698 -6.924 24.448 44 2HG GLN 7 HG1 GLN 7 -3.286 -5.608 25.465 45 1HE2 GLN 7 HE21 GLN 7 -1.691 -4.025 25.641 46 2HE2 GLN 7 HE22 GLN 7 -0.030 -4.333 25.805 47 H ALA 8 HN ALA 8 -5.378 -7.421 24.015 48 HA ALA 8 HA ALA 8 -3.907 -9.001 22.212 49 1HB ALA 8 HB1 ALA 8 -6.498 -10.231 23.165 50 2HB ALA 8 HB2 ALA 8 -4.884 -10.934 23.257 51 3HB ALA 8 HB3 ALA 8 -5.663 -10.718 21.689 52 H LEU 9 HN LEU 9 -4.862 -6.383 22.204 53 HA LEU 9 HA LEU 9 -7.202 -6.271 20.484 54 1HB LEU 9 HB2 LEU 9 -7.118 -3.939 20.740 55 2HB LEU 9 HB1 LEU 9 -6.553 -4.552 22.292 56 HG LEU 9 HG LEU 9 -4.775 -3.624 20.012 57 1HD1 LEU 9 HD11 LEU 9 -4.178 -1.959 21.986 58 2HD1 LEU 9 HD12 LEU 9 -5.811 -2.355 22.519 59 3HD1 LEU 9 HD13 LEU 9 -5.553 -1.640 20.930 60 1HD2 LEU 9 HD21 LEU 9 -4.153 -4.620 22.813 61 2HD2 LEU 9 HD22 LEU 9 -2.973 -3.877 21.733 62 3HD2 LEU 9 HD23 LEU 9 -3.718 -5.415 21.298 63 H ALA 10 HN ALA 10 -7.217 -5.544 18.334 64 HA ALA 10 HA ALA 10 -5.049 -6.448 16.736 65 1HB ALA 10 HB1 ALA 10 -6.452 -6.136 14.974 66 2HB ALA 10 HB2 ALA 10 -6.960 -4.541 15.527 67 3HB ALA 10 HB3 ALA 10 -7.670 -5.987 16.242 68 H GLN 11 HN GLN 11 -3.338 -5.424 15.910 69 HA GLN 11 HA GLN 11 -2.889 -2.637 16.687 70 1HB GLN 11 HB2 GLN 11 -0.929 -4.433 15.264 71 2HB GLN 11 HB1 GLN 11 -0.589 -3.047 16.298 72 1HG GLN 11 HG2 GLN 11 -1.498 -4.286 18.240 73 2HG GLN 11 HG1 GLN 11 -1.788 -5.681 17.201 74 1HE2 GLN 11 HE21 GLN 11 0.902 -4.612 15.805 75 2HE2 GLN 11 HE22 GLN 11 2.093 -5.353 16.761 76 HA PRO 12 HA PRO 12 -3.744 -0.703 12.826 77 1HB PRO 12 HB2 PRO 12 -1.115 0.425 12.481 78 2HB PRO 12 HB1 PRO 12 -2.590 1.238 13.023 79 1HG PRO 12 HG2 PRO 12 -0.340 0.225 14.586 80 2HG PRO 12 HG1 PRO 12 -1.579 1.409 15.025 81 1HD PRO 12 HD2 PRO 12 -1.475 -1.098 16.098 82 2HD PRO 12 HD1 PRO 12 -2.993 -0.197 15.900 83 H LEU 13 HN LEU 13 -3.063 -0.709 10.525 84 HA LEU 13 HA LEU 13 -1.896 -3.254 9.800 85 1HB LEU 13 HB2 LEU 13 -3.898 -2.048 8.675 86 2HB LEU 13 HB1 LEU 13 -2.666 -1.080 7.876 87 HG LEU 13 HG LEU 13 -2.777 -4.105 7.804 88 1HD1 LEU 13 HD11 LEU 13 -4.090 -2.003 6.239 89 2HD1 LEU 13 HD12 LEU 13 -4.428 -3.734 6.295 90 3HD1 LEU 13 HD13 LEU 13 -3.152 -3.118 5.244 91 1HD2 LEU 13 HD21 LEU 13 -0.574 -3.707 7.292 92 2HD2 LEU 13 HD22 LEU 13 -0.877 -2.029 6.836 93 3HD2 LEU 13 HD23 LEU 13 -1.247 -3.329 5.708 94 H LEU 14 HN LEU 14 0.150 -3.589 9.081 95 HA LEU 14 HA LEU 14 1.899 -1.251 8.975 96 1HB LEU 14 HB2 LEU 14 2.564 -4.201 8.959 97 2HB LEU 14 HB1 LEU 14 3.711 -2.876 9.113 98 HG LEU 14 HG LEU 14 1.558 -3.702 11.063 99 1HD1 LEU 14 HD11 LEU 14 4.258 -3.079 12.018 100 2HD1 LEU 14 HD12 LEU 14 4.228 -4.395 10.845 101 3HD1 LEU 14 HD13 LEU 14 3.262 -4.504 12.315 102 1HD2 LEU 14 HD21 LEU 14 3.071 -1.103 10.806 103 2HD2 LEU 14 HD22 LEU 14 2.512 -1.673 12.377 104 3HD2 LEU 14 HD23 LEU 14 1.346 -1.352 11.092 105 H LEU 15 HN LEU 15 2.184 -0.333 7.106 106 HA LEU 15 HA LEU 15 2.301 -1.999 4.671 107 1HB LEU 15 HB2 LEU 15 0.188 -0.571 5.038 108 2HB LEU 15 HB1 LEU 15 1.232 0.824 4.783 109 HG LEU 15 HG LEU 15 0.080 0.110 2.702 110 1HD1 LEU 15 HD11 LEU 15 2.621 0.953 2.977 111 2HD1 LEU 15 HD12 LEU 15 1.898 0.611 1.406 112 3HD1 LEU 15 HD13 LEU 15 2.920 -0.594 2.185 113 1HD2 LEU 15 HD21 LEU 15 0.157 -2.033 1.899 114 2HD2 LEU 15 HD22 LEU 15 0.476 -2.428 3.584 115 3HD2 LEU 15 HD23 LEU 15 1.815 -2.286 2.446 116 H GLN 16 HN GLN 16 4.098 -1.704 3.433 117 HA GLN 16 HA GLN 16 5.706 0.721 3.966 118 1HB GLN 16 HB2 GLN 16 6.582 -2.148 3.876 119 2HB GLN 16 HB1 GLN 16 7.707 -0.855 3.458 120 1HG GLN 16 HG2 GLN 16 7.258 0.237 5.629 121 2HG GLN 16 HG1 GLN 16 6.155 -1.075 6.055 122 1HE2 GLN 16 HE21 GLN 16 8.467 -2.618 4.300 123 2HE2 GLN 16 HE22 GLN 16 9.550 -3.035 5.538 124 H LEU 17 HN LEU 17 6.770 1.622 2.259 125 HA LEU 17 HA LEU 17 6.215 0.459 -0.393 126 1HB LEU 17 HB2 LEU 17 4.782 2.417 -0.015 127 2HB LEU 17 HB1 LEU 17 6.199 3.385 0.378 128 HG LEU 17 HG LEU 17 7.072 2.684 -1.963 129 1HD1 LEU 17 HD11 LEU 17 4.830 1.109 -1.962 130 2HD1 LEU 17 HD12 LEU 17 5.688 1.623 -3.413 131 3HD1 LEU 17 HD13 LEU 17 4.273 2.519 -2.862 132 1HD2 LEU 17 HD21 LEU 17 4.674 4.515 -1.652 133 2HD2 LEU 17 HD22 LEU 17 5.780 4.527 -3.026 134 3HD2 LEU 17 HD23 LEU 17 6.363 4.964 -1.420 135 H PHE 18 HN PHE 18 7.965 0.093 -1.599 136 HA PHE 18 HA PHE 18 10.544 1.165 -0.678 137 1HB PHE 18 HB2 PHE 18 9.795 -1.082 -2.555 138 2HB PHE 18 HB1 PHE 18 11.454 -0.521 -2.340 139 HD1 PHE 18 HD1 PHE 18 8.525 -1.993 -0.571 140 HD2 PHE 18 HD2 PHE 18 12.713 -1.074 -0.408 141 HE1 PHE 18 HE1 PHE 18 8.749 -3.368 1.482 142 HE2 PHE 18 HE2 PHE 18 12.941 -2.440 1.635 143 HZ PHE 18 HZ PHE 18 10.958 -3.593 2.587 144 H VAL 19 HN VAL 19 11.324 2.923 -1.637 145 HA VAL 19 HA VAL 19 10.803 3.300 -4.521 146 HB VAL 19 HB VAL 19 10.188 5.579 -4.211 147 1HG1 VAL 19 HG11 VAL 19 8.892 3.875 -2.061 148 2HG1 VAL 19 HG12 VAL 19 8.382 3.980 -3.745 149 3HG1 VAL 19 HG13 VAL 19 8.228 5.384 -2.686 150 1HG2 VAL 19 HG21 VAL 19 11.105 5.119 -1.360 151 2HG2 VAL 19 HG22 VAL 19 10.138 6.518 -1.832 152 3HG2 VAL 19 HG23 VAL 19 11.743 6.281 -2.525 153 H ASP 20 HN ASP 20 12.297 4.751 -5.570 154 HA ASP 20 HA ASP 20 14.960 4.673 -4.320 155 1HB ASP 20 HB2 ASP 20 15.849 4.973 -6.552 156 2HB ASP 20 HB1 ASP 20 14.670 3.664 -6.585 157 H THR 21 HN THR 21 12.617 6.630 -3.963 158 HA THR 21 HA THR 21 12.522 8.828 -3.280 159 HB THR 21 HB THR 21 14.450 10.140 -3.073 160 HG1 THR 21 HG1 THR 21 15.998 8.583 -4.780 161 1HG2 THR 21 HG21 THR 21 14.473 7.564 -2.178 162 2HG2 THR 21 HG22 THR 21 15.706 8.758 -1.779 163 3HG2 THR 21 HG23 THR 21 15.979 7.615 -3.094 164 H ARG 22 HN ARG 22 12.381 7.675 -6.242 165 HA ARG 22 HA ARG 22 12.670 10.027 -7.864 166 1HB ARG 22 HB2 ARG 22 11.539 8.687 -9.598 167 2HB ARG 22 HB1 ARG 22 12.843 7.774 -8.836 168 1HG ARG 22 HG2 ARG 22 11.021 6.891 -7.228 169 2HG ARG 22 HG1 ARG 22 9.872 7.499 -8.418 170 1HD ARG 22 HD2 ARG 22 12.143 5.745 -9.301 171 2HD ARG 22 HD1 ARG 22 10.704 5.023 -8.591 172 HE ARG 22 HE ARG 22 9.771 6.755 -10.534 173 1HH1 ARG 22 HH11 ARG 22 11.225 3.679 -10.162 174 2HH1 ARG 22 HH12 ARG 22 11.192 3.285 -11.848 175 1HH2 ARG 22 HH21 ARG 22 10.020 6.396 -12.827 176 2HH2 ARG 22 HH22 ARG 22 10.504 4.820 -13.355 177 HA PRO 23 HA PRO 23 8.961 12.187 -6.826 178 1HB PRO 23 HB2 PRO 23 8.296 12.829 -9.541 179 2HB PRO 23 HB1 PRO 23 9.056 13.872 -8.332 180 1HG PRO 23 HG2 PRO 23 10.240 12.481 -10.573 181 2HG PRO 23 HG1 PRO 23 10.916 13.769 -9.566 182 1HD PRO 23 HD2 PRO 23 11.756 11.115 -9.529 183 2HD PRO 23 HD1 PRO 23 12.036 12.284 -8.223 184 H LEU 24 HN LEU 24 8.913 9.944 -9.563 185 HA LEU 24 HA LEU 24 6.169 9.630 -9.921 186 1HB LEU 24 HB2 LEU 24 7.934 8.618 -11.360 187 2HB LEU 24 HB1 LEU 24 8.273 7.460 -10.073 188 HG LEU 24 HG LEU 24 5.725 6.936 -10.185 189 1HD1 LEU 24 HD11 LEU 24 6.209 8.306 -12.847 190 2HD1 LEU 24 HD12 LEU 24 5.052 8.787 -11.607 191 3HD1 LEU 24 HD13 LEU 24 4.814 7.286 -12.501 192 1HD2 LEU 24 HD21 LEU 24 6.647 5.856 -12.678 193 2HD2 LEU 24 HD22 LEU 24 6.544 5.054 -11.111 194 3HD2 LEU 24 HD23 LEU 24 8.011 5.919 -11.563 195 H SER 25 HN SER 25 8.364 7.990 -7.663 196 HA SER 25 HA SER 25 6.397 6.295 -6.512 197 1HB SER 25 HB2 SER 25 8.042 5.849 -4.815 198 2HB SER 25 HB1 SER 25 8.885 5.963 -6.354 199 HG SER 25 HG SER 25 9.977 7.206 -4.855 200 H GLN 26 HN GLN 26 7.649 9.512 -5.749 201 HA GLN 26 HA GLN 26 6.205 9.888 -3.326 202 1HB GLN 26 HB2 GLN 26 7.137 11.922 -5.379 203 2HB GLN 26 HB1 GLN 26 6.593 12.303 -3.745 204 1HG GLN 26 HG2 GLN 26 8.899 10.434 -4.339 205 2HG GLN 26 HG1 GLN 26 9.107 12.154 -4.015 206 1HE2 GLN 26 HE21 GLN 26 7.553 12.742 -1.895 207 2HE2 GLN 26 HE22 GLN 26 7.876 11.735 -0.567 208 H HIS 27 HN HIS 27 5.571 10.217 -6.702 209 HA HIS 27 HA HIS 27 3.098 11.580 -6.682 210 1HB HIS 27 HB2 HIS 27 4.821 10.705 -8.575 211 2HB HIS 27 HB1 HIS 27 3.619 9.425 -8.670 212 HD1 HIS 27 HD1 HIS 27 1.039 11.048 -8.231 213 HD2 HIS 27 HD2 HIS 27 4.166 12.255 -10.715 214 HE1 HIS 27 HE1 HIS 27 0.038 12.679 -9.895 215 H ILE 28 HN ILE 28 3.957 8.157 -6.870 216 HA ILE 28 HA ILE 28 1.340 7.109 -6.619 217 HB ILE 28 HB ILE 28 4.053 5.884 -6.059 218 1HG1 ILE 28 HG12 ILE 28 2.178 5.616 -8.430 219 2HG1 ILE 28 HG11 ILE 28 3.602 6.654 -8.399 220 1HG2 ILE 28 HG21 ILE 28 1.284 4.866 -5.781 221 2HG2 ILE 28 HG22 ILE 28 2.770 4.312 -5.010 222 3HG2 ILE 28 HG23 ILE 28 2.392 3.810 -6.658 223 1HD1 ILE 28 HD11 ILE 28 3.434 3.786 -8.845 224 2HD1 ILE 28 HD12 ILE 28 4.521 4.159 -7.507 225 3HD1 ILE 28 HD13 ILE 28 4.799 4.875 -9.095 226 H VAL 29 HN VAL 29 3.819 8.030 -4.287 227 HA VAL 29 HA VAL 29 2.820 6.751 -2.015 228 HB VAL 29 HB VAL 29 4.288 9.369 -2.330 229 1HG1 VAL 29 HG11 VAL 29 4.696 8.900 0.224 230 2HG1 VAL 29 HG12 VAL 29 3.188 7.992 0.109 231 3HG1 VAL 29 HG13 VAL 29 3.213 9.713 -0.275 232 1HG2 VAL 29 HG21 VAL 29 5.417 7.032 -0.895 233 2HG2 VAL 29 HG22 VAL 29 6.183 8.105 -2.067 234 3HG2 VAL 29 HG23 VAL 29 5.146 6.791 -2.620 235 H GLN 30 HN GLN 30 2.008 9.952 -3.346 236 HA GLN 30 HA GLN 30 0.129 10.642 -1.353 237 1HB GLN 30 HB2 GLN 30 0.235 11.432 -4.276 238 2HB GLN 30 HB1 GLN 30 -0.832 12.169 -3.080 239 1HG GLN 30 HG2 GLN 30 2.194 12.124 -2.976 240 2HG GLN 30 HG1 GLN 30 1.187 13.520 -3.353 241 1HE2 GLN 30 HE21 GLN 30 -0.242 14.340 -1.571 242 2HE2 GLN 30 HE22 GLN 30 0.200 14.052 0.042 243 H ARG 31 HN ARG 31 -0.178 8.901 -4.434 244 HA ARG 31 HA ARG 31 -2.992 8.549 -4.288 245 1HB ARG 31 HB2 ARG 31 -0.882 6.863 -5.654 246 2HB ARG 31 HB1 ARG 31 -2.623 6.663 -5.868 247 1HG ARG 31 HG2 ARG 31 -2.748 9.060 -6.590 248 2HG ARG 31 HG1 ARG 31 -0.986 9.117 -6.541 249 1HD ARG 31 HD2 ARG 31 -0.957 7.169 -8.131 250 2HD ARG 31 HD1 ARG 31 -2.703 7.335 -8.278 251 HE ARG 31 HE ARG 31 -1.834 9.829 -8.875 252 1HH1 ARG 31 HH11 ARG 31 0.711 8.140 -9.612 253 2HH1 ARG 31 HH12 ARG 31 0.494 8.008 -11.326 254 1HH2 ARG 31 HH21 ARG 31 -2.820 9.024 -11.252 255 2HH2 ARG 31 HH22 ARG 31 -1.502 8.513 -12.254 256 H VAL 32 HN VAL 32 -0.249 6.697 -3.051 257 HA VAL 32 HA VAL 32 -1.722 4.456 -2.139 258 HB VAL 32 HB VAL 32 0.884 5.654 -1.167 259 1HG1 VAL 32 HG11 VAL 32 0.041 4.313 0.623 260 2HG1 VAL 32 HG12 VAL 32 1.192 3.294 -0.239 261 3HG1 VAL 32 HG13 VAL 32 -0.541 3.073 -0.486 262 1HG2 VAL 32 HG21 VAL 32 0.306 4.455 -3.570 263 2HG2 VAL 32 HG22 VAL 32 0.812 3.073 -2.598 264 3HG2 VAL 32 HG23 VAL 32 1.896 4.447 -2.810 265 H LYS 33 HN LYS 33 -0.496 7.313 -0.387 266 HA LYS 33 HA LYS 33 -1.779 6.753 2.056 267 1HB LYS 33 HB2 LYS 33 -0.787 9.323 0.835 268 2HB LYS 33 HB1 LYS 33 -1.412 9.206 2.477 269 1HG LYS 33 HG2 LYS 33 0.284 7.396 2.919 270 2HG LYS 33 HG1 LYS 33 0.972 7.731 1.330 271 1HD LYS 33 HD2 LYS 33 1.335 10.091 2.006 272 2HD LYS 33 HD1 LYS 33 0.710 9.710 3.610 273 1HE LYS 33 HE2 LYS 33 3.092 8.328 2.344 274 2HE LYS 33 HE1 LYS 33 3.215 9.666 3.487 275 1HZ LYS 33 HZ1 LYS 33 1.904 7.052 4.011 276 2HZ LYS 33 HZ2 LYS 33 2.013 8.342 5.112 277 3HZ LYS 33 HZ3 LYS 33 3.418 7.535 4.601 278 H ASN 34 HN ASN 34 -2.792 8.658 -0.758 279 HA ASN 34 HA ASN 34 -5.110 9.785 0.355 280 1HB ASN 34 HB2 ASN 34 -4.422 9.058 -2.496 281 2HB ASN 34 HB1 ASN 34 -5.831 10.005 -2.035 282 1HD2 ASN 34 HD21 ASN 34 -3.134 10.681 -3.487 283 2HD2 ASN 34 HD22 ASN 34 -2.601 12.078 -2.681 284 H ILE 35 HN ILE 35 -4.638 6.721 -1.389 285 HA ILE 35 HA ILE 35 -7.391 5.989 -1.394 286 HB ILE 35 HB ILE 35 -4.894 4.314 -1.630 287 1HG1 ILE 35 HG12 ILE 35 -6.875 5.146 -3.759 288 2HG1 ILE 35 HG11 ILE 35 -5.435 6.091 -3.391 289 1HG2 ILE 35 HG21 ILE 35 -7.084 3.046 -2.864 290 2HG2 ILE 35 HG22 ILE 35 -7.671 3.564 -1.285 291 3HG2 ILE 35 HG23 ILE 35 -6.249 2.527 -1.400 292 1HD1 ILE 35 HD11 ILE 35 -5.321 3.145 -4.060 293 2HD1 ILE 35 HD12 ILE 35 -3.984 4.294 -4.011 294 3HD1 ILE 35 HD13 ILE 35 -5.194 4.403 -5.289 295 H LEU 36 HN LEU 36 -4.660 5.017 0.704 296 HA LEU 36 HA LEU 36 -6.113 3.300 2.387 297 1HB LEU 36 HB2 LEU 36 -3.733 5.058 3.043 298 2HB LEU 36 HB1 LEU 36 -4.326 3.739 4.053 299 HG LEU 36 HG LEU 36 -3.332 3.468 1.201 300 1HD1 LEU 36 HD11 LEU 36 -2.136 2.458 3.798 301 2HD1 LEU 36 HD12 LEU 36 -1.584 3.906 2.958 302 3HD1 LEU 36 HD13 LEU 36 -1.429 2.326 2.188 303 1HD2 LEU 36 HD21 LEU 36 -4.702 1.636 3.127 304 2HD2 LEU 36 HD22 LEU 36 -3.428 0.960 2.111 305 3HD2 LEU 36 HD23 LEU 36 -4.838 1.720 1.370 306 H ALA 37 HN ALA 37 -5.563 6.774 2.474 307 HA ALA 37 HA ALA 37 -6.907 7.252 4.939 308 1HB ALA 37 HB1 ALA 37 -5.394 8.935 4.174 309 2HB ALA 37 HB2 ALA 37 -7.008 9.632 4.034 310 3HB ALA 37 HB3 ALA 37 -6.183 9.025 2.600 311 H ALA 38 HN ALA 38 -7.966 6.274 1.914 312 HA ALA 38 HA ALA 38 -10.525 7.635 1.995 313 1HB ALA 38 HB1 ALA 38 -10.739 7.001 -0.169 314 2HB ALA 38 HB2 ALA 38 -10.221 5.350 0.168 315 3HB ALA 38 HB3 ALA 38 -9.020 6.621 -0.055 316 H VAL 39 HN VAL 39 -9.424 5.471 3.994 317 HA VAL 39 HA VAL 39 -12.014 4.184 4.283 318 HB VAL 39 HB VAL 39 -10.832 2.642 2.810 319 1HG1 VAL 39 HG11 VAL 39 -8.705 2.925 4.925 320 2HG1 VAL 39 HG12 VAL 39 -8.543 3.054 3.174 321 3HG1 VAL 39 HG13 VAL 39 -8.787 1.476 3.924 322 1HG2 VAL 39 HG21 VAL 39 -11.635 0.851 3.954 323 2HG2 VAL 39 HG22 VAL 39 -12.070 2.017 5.203 324 3HG2 VAL 39 HG23 VAL 39 -10.550 1.131 5.316 325 H GLU 40 HN GLU 40 -8.829 4.918 5.573 326 HA GLU 40 HA GLU 40 -7.985 4.682 7.733 327 1HB GLU 40 HB2 GLU 40 -10.667 6.028 8.110 328 2HB GLU 40 HB1 GLU 40 -9.460 5.893 9.389 329 1HG GLU 40 HG2 GLU 40 -8.810 7.923 8.535 330 2HG GLU 40 HG1 GLU 40 -7.888 6.881 7.453 331 H ALA 41 HN ALA 41 -11.191 4.475 9.045 332 HA ALA 41 HA ALA 41 -12.404 2.667 9.883 333 1HB ALA 41 HB1 ALA 41 -11.076 1.352 8.027 334 2HB ALA 41 HB2 ALA 41 -11.867 0.480 9.340 335 3HB ALA 41 HB3 ALA 41 -10.130 0.782 9.402 336 H THR 42 HN THR 42 -11.876 0.817 11.634 337 HA THR 42 HA THR 42 -10.675 2.230 13.837 338 HB THR 42 HB THR 42 -11.324 0.248 15.154 339 HG1 THR 42 HG1 THR 42 -12.723 -1.108 13.427 340 1HG2 THR 42 HG21 THR 42 -13.616 0.810 13.294 341 2HG2 THR 42 HG22 THR 42 -12.955 2.107 14.288 342 3HG2 THR 42 HG23 THR 42 -13.619 0.663 15.052 343 H VAL 43 HN VAL 43 -9.465 0.288 11.387 344 HA VAL 43 HA VAL 43 -7.104 -0.445 13.000 345 HB VAL 43 HB VAL 43 -6.787 -2.114 11.037 346 1HG1 VAL 43 HG11 VAL 43 -7.347 -2.683 13.412 347 2HG1 VAL 43 HG12 VAL 43 -8.078 -3.789 12.250 348 3HG1 VAL 43 HG13 VAL 43 -9.055 -2.531 13.004 349 1HG2 VAL 43 HG21 VAL 43 -9.769 -1.601 10.889 350 2HG2 VAL 43 HG22 VAL 43 -8.882 -2.839 9.998 351 3HG2 VAL 43 HG23 VAL 43 -8.604 -1.133 9.651 352 HA PRO 44 HA PRO 44 -6.098 2.929 9.877 353 1HB PRO 44 HB2 PRO 44 -3.990 3.701 11.671 354 2HB PRO 44 HB1 PRO 44 -5.454 4.599 11.246 355 1HG PRO 44 HG2 PRO 44 -4.846 3.137 13.654 356 2HG PRO 44 HG1 PRO 44 -6.197 4.223 13.316 357 1HD PRO 44 HD2 PRO 44 -6.361 1.448 13.615 358 2HD PRO 44 HD1 PRO 44 -7.613 2.487 12.910 359 H ILE 45 HN ILE 45 -4.261 3.102 8.538 360 HA ILE 45 HA ILE 45 -2.370 0.842 8.768 361 HB ILE 45 HB ILE 45 -2.961 2.436 6.274 362 1HG1 ILE 45 HG12 ILE 45 -4.219 0.122 5.799 363 2HG1 ILE 45 HG11 ILE 45 -4.438 0.172 7.549 364 1HG2 ILE 45 HG21 ILE 45 -2.217 -0.232 5.740 365 2HG2 ILE 45 HG22 ILE 45 -1.137 0.307 7.026 366 3HG2 ILE 45 HG23 ILE 45 -1.223 1.206 5.510 367 1HD1 ILE 45 HD11 ILE 45 -5.140 2.685 7.037 368 2HD1 ILE 45 HD12 ILE 45 -6.304 1.369 6.879 369 3HD1 ILE 45 HD13 ILE 45 -5.503 2.015 5.447 370 H SER 46 HN SER 46 -0.208 1.254 8.866 371 HA SER 46 HA SER 46 0.598 4.095 8.812 372 1HB SER 46 HB2 SER 46 1.028 2.774 10.911 373 2HB SER 46 HB1 SER 46 2.112 1.748 9.977 374 HG SER 46 HG SER 46 2.441 4.319 10.906 375 H LEU 47 HN LEU 47 1.702 4.764 7.076 376 HA LEU 47 HA LEU 47 2.854 2.729 5.298 377 1HB LEU 47 HB2 LEU 47 1.229 4.739 4.645 378 2HB LEU 47 HB1 LEU 47 2.755 5.615 4.553 379 HG LEU 47 HG LEU 47 1.932 3.153 2.999 380 1HD1 LEU 47 HD11 LEU 47 2.949 5.885 2.159 381 2HD1 LEU 47 HD12 LEU 47 1.263 5.368 2.114 382 3HD1 LEU 47 HD13 LEU 47 2.454 4.588 1.072 383 1HD2 LEU 47 HD21 LEU 47 4.671 4.325 3.497 384 2HD2 LEU 47 HD22 LEU 47 4.315 3.446 2.011 385 3HD2 LEU 47 HD23 LEU 47 4.171 2.634 3.567 386 H GLN 48 HN GLN 48 4.963 2.374 5.321 387 HA GLN 48 HA GLN 48 6.759 4.557 6.179 388 1HB GLN 48 HB2 GLN 48 6.572 1.737 7.052 389 2HB GLN 48 HB1 GLN 48 8.202 2.324 6.725 390 1HG GLN 48 HG2 GLN 48 6.233 3.849 8.443 391 2HG GLN 48 HG1 GLN 48 7.353 2.663 9.111 392 1HE2 GLN 48 HE21 GLN 48 9.661 3.180 9.064 393 2HE2 GLN 48 HE22 GLN 48 10.200 4.760 8.763 394 H VAL 49 HN VAL 49 8.236 5.125 4.703 395 HA VAL 49 HA VAL 49 8.490 3.453 2.303 396 HB VAL 49 HB VAL 49 9.542 6.254 2.678 397 1HG1 VAL 49 HG11 VAL 49 8.922 4.494 0.295 398 2HG1 VAL 49 HG12 VAL 49 10.493 5.137 0.776 399 3HG1 VAL 49 HG13 VAL 49 9.246 6.222 0.162 400 1HG2 VAL 49 HG21 VAL 49 6.914 5.523 1.375 401 2HG2 VAL 49 HG22 VAL 49 7.483 7.117 1.869 402 3HG2 VAL 49 HG23 VAL 49 7.007 5.934 3.088 403 H ILE 50 HN ILE 50 10.316 2.478 1.724 404 HA ILE 50 HA ILE 50 12.723 2.978 3.359 405 HB ILE 50 HB ILE 50 12.022 0.427 1.892 406 1HG1 ILE 50 HG12 ILE 50 11.632 1.193 4.799 407 2HG1 ILE 50 HG11 ILE 50 10.357 0.833 3.638 408 1HG2 ILE 50 HG21 ILE 50 13.742 0.021 4.096 409 2HG2 ILE 50 HG22 ILE 50 14.357 1.446 3.258 410 3HG2 ILE 50 HG23 ILE 50 14.163 -0.074 2.385 411 1HD1 ILE 50 HD11 ILE 50 11.936 -1.004 5.234 412 2HD1 ILE 50 HD12 ILE 50 12.096 -1.370 3.516 413 3HD1 ILE 50 HD13 ILE 50 10.498 -1.326 4.263 414 H ASN 51 HN ASN 51 14.440 3.747 2.259 415 HA ASN 51 HA ASN 51 14.206 4.123 -0.589 416 1HB ASN 51 HB2 ASN 51 16.343 4.858 1.417 417 2HB ASN 51 HB1 ASN 51 16.453 5.231 -0.298 418 1HD2 ASN 51 HD21 ASN 51 16.416 7.392 1.446 419 2HD2 ASN 51 HD22 ASN 51 14.918 8.184 1.356 420 H VAL 52 HN VAL 52 14.482 2.287 -1.729 421 HA VAL 52 HA VAL 52 16.129 0.115 -1.060 422 HB VAL 52 HB VAL 52 15.783 -0.633 -3.323 423 1HG1 VAL 52 HG11 VAL 52 13.629 -0.983 -2.739 424 2HG1 VAL 52 HG12 VAL 52 13.225 0.622 -3.351 425 3HG1 VAL 52 HG13 VAL 52 13.678 0.410 -1.659 426 1HG2 VAL 52 HG21 VAL 52 16.244 1.030 -4.835 427 2HG2 VAL 52 HG22 VAL 52 15.563 2.293 -3.809 428 3HG2 VAL 52 HG23 VAL 52 14.497 1.265 -4.765 429 H ALA 53 HN ALA 53 16.894 3.216 -2.245 430 HA ALA 53 HA ALA 53 19.330 2.590 -3.597 431 1HB ALA 53 HB1 ALA 53 18.820 5.265 -2.353 432 2HB ALA 53 HB2 ALA 53 17.791 4.735 -3.685 433 3HB ALA 53 HB3 ALA 53 19.533 4.874 -3.920 434 H ASP 54 HN ASP 54 18.409 3.276 -0.288 435 HA ASP 54 HA ASP 54 21.201 3.505 0.522 436 1HB ASP 54 HB2 ASP 54 18.616 3.821 2.050 437 2HB ASP 54 HB1 ASP 54 20.214 3.961 2.780 438 H GLN 55 HN GLN 55 18.552 1.223 0.635 439 HA GLN 55 HA GLN 55 20.377 -0.726 1.873 440 1HB GLN 55 HB2 GLN 55 18.638 -1.465 3.427 441 2HB GLN 55 HB1 GLN 55 19.041 0.233 3.691 442 1HG GLN 55 HG2 GLN 55 17.036 0.346 1.779 443 2HG GLN 55 HG1 GLN 55 16.517 -0.960 2.841 444 1HE2 GLN 55 HE21 GLN 55 15.487 -0.337 4.743 445 2HE2 GLN 55 HE22 GLN 55 15.534 1.228 5.395 446 HA PRO 56 HA PRO 56 18.099 -2.680 -1.619 447 1HB PRO 56 HB2 PRO 56 20.599 -3.863 -2.413 448 2HB PRO 56 HB1 PRO 56 19.666 -2.614 -3.253 449 1HG PRO 56 HG2 PRO 56 22.123 -2.231 -2.079 450 2HG PRO 56 HG1 PRO 56 20.956 -0.950 -2.444 451 1HD PRO 56 HD2 PRO 56 21.556 -2.261 0.179 452 2HD PRO 56 HD1 PRO 56 21.090 -0.578 -0.169 453 H GLN 57 HN GLN 57 19.847 -3.762 1.064 454 HA GLN 57 HA GLN 57 20.002 -6.546 0.573 455 1HB GLN 57 HB2 GLN 57 21.335 -5.398 2.288 456 2HB GLN 57 HB1 GLN 57 19.868 -5.087 3.216 457 1HG GLN 57 HG2 GLN 57 19.473 -7.594 3.233 458 2HG GLN 57 HG1 GLN 57 21.090 -7.778 2.558 459 1HE2 GLN 57 HE21 GLN 57 22.296 -8.564 4.324 460 2HE2 GLN 57 HE22 GLN 57 22.373 -7.796 5.837 461 H LEU 58 HN LEU 58 17.485 -4.649 2.342 462 HA LEU 58 HA LEU 58 16.024 -7.049 2.943 463 1HB LEU 58 HB2 LEU 58 14.144 -5.224 3.362 464 2HB LEU 58 HB1 LEU 58 15.455 -5.475 4.508 465 HG LEU 58 HG LEU 58 16.702 -3.619 3.523 466 1HD1 LEU 58 HD11 LEU 58 14.557 -3.879 1.484 467 2HD1 LEU 58 HD12 LEU 58 16.252 -3.445 1.290 468 3HD1 LEU 58 HD13 LEU 58 15.098 -2.243 1.853 469 1HD2 LEU 58 HD21 LEU 58 14.439 -3.410 5.065 470 2HD2 LEU 58 HD22 LEU 58 14.065 -2.318 3.732 471 3HD2 LEU 58 HD23 LEU 58 15.521 -2.069 4.696 472 H VAL 59 HN VAL 59 16.205 -4.893 0.264 473 HA VAL 59 HA VAL 59 13.663 -5.346 -0.917 474 HB VAL 59 HB VAL 59 16.312 -4.784 -2.280 475 1HG1 VAL 59 HG11 VAL 59 14.430 -5.522 -3.743 476 2HG1 VAL 59 HG12 VAL 59 14.918 -3.856 -4.051 477 3HG1 VAL 59 HG13 VAL 59 13.464 -4.189 -3.113 478 1HG2 VAL 59 HG21 VAL 59 14.344 -3.062 -0.804 479 2HG2 VAL 59 HG22 VAL 59 15.196 -2.397 -2.194 480 3HG2 VAL 59 HG23 VAL 59 16.103 -2.988 -0.810 481 H GLU 60 HN GLU 60 16.809 -6.957 -1.191 482 HA GLU 60 HA GLU 60 15.951 -8.948 -3.066 483 1HB GLU 60 HB2 GLU 60 18.259 -8.928 -1.096 484 2HB GLU 60 HB1 GLU 60 18.044 -10.107 -2.390 485 1HG GLU 60 HG2 GLU 60 18.085 -8.256 -4.050 486 2HG GLU 60 HG1 GLU 60 18.382 -7.114 -2.739 487 H TYR 61 HN TYR 61 16.041 -8.690 0.445 488 HA TYR 61 HA TYR 61 15.554 -11.356 1.134 489 1HB TYR 61 HB2 TYR 61 16.119 -9.674 2.810 490 2HB TYR 61 HB1 TYR 61 14.597 -8.835 2.508 491 HD1 TYR 61 HD1 TYR 61 15.875 -12.257 3.364 492 HD2 TYR 61 HD2 TYR 61 12.755 -9.342 3.835 493 HE1 TYR 61 HE1 TYR 61 14.724 -13.754 4.971 494 HE2 TYR 61 HE2 TYR 61 11.602 -10.840 5.444 495 HH TYR 61 HH TYR 61 13.113 -13.765 6.639 496 H TYR 62 HN TYR 62 13.324 -8.757 0.273 497 HA TYR 62 HA TYR 62 10.993 -10.462 0.544 498 1HB TYR 62 HB2 TYR 62 11.365 -7.667 -0.550 499 2HB TYR 62 HB1 TYR 62 9.809 -8.455 -0.336 500 HD1 TYR 62 HD1 TYR 62 12.002 -6.193 1.099 501 HD2 TYR 62 HD2 TYR 62 9.599 -9.592 2.152 502 HE1 TYR 62 HE1 TYR 62 11.980 -5.443 3.457 503 HE2 TYR 62 HE2 TYR 62 9.580 -8.844 4.516 504 HH TYR 62 HH TYR 62 11.615 -6.913 5.849 505 H ARG 63 HN ARG 63 13.379 -10.729 -1.454 506 HA ARG 63 HA ARG 63 13.695 -11.432 -3.615 507 1HB ARG 63 HB2 ARG 63 10.742 -12.060 -3.369 508 2HB ARG 63 HB1 ARG 63 11.773 -12.596 -4.696 509 1HG ARG 63 HG2 ARG 63 13.266 -13.693 -2.980 510 2HG ARG 63 HG1 ARG 63 12.047 -13.310 -1.764 511 1HD ARG 63 HD2 ARG 63 10.368 -14.518 -3.236 512 2HD ARG 63 HD1 ARG 63 11.735 -15.081 -4.191 513 HE ARG 63 HE ARG 63 12.453 -16.382 -2.314 514 1HH1 ARG 63 HH21 ARG 63 9.251 -16.449 -2.574 515 2HH1 ARG 63 HH22 ARG 63 8.857 -16.609 -0.894 516 1HH2 ARG 63 HH11 ARG 63 12.051 -15.809 0.198 517 2HH2 ARG 63 HH12 ARG 63 10.441 -16.238 0.677 518 H LEU 64 HN LEU 64 12.200 -8.804 -2.705 519 HA LEU 64 HA LEU 64 10.831 -7.773 -4.943 520 1HB LEU 64 HB2 LEU 64 10.969 -6.923 -2.507 521 2HB LEU 64 HB1 LEU 64 12.462 -6.135 -3.001 522 HG LEU 64 HG LEU 64 10.514 -4.629 -3.156 523 1HD1 LEU 64 HD11 LEU 64 12.529 -4.866 -4.921 524 2HD1 LEU 64 HD12 LEU 64 11.271 -3.645 -5.075 525 3HD1 LEU 64 HD13 LEU 64 11.170 -5.136 -6.009 526 1HD2 LEU 64 HD21 LEU 64 8.596 -5.145 -4.306 527 2HD2 LEU 64 HD22 LEU 64 9.096 -6.788 -3.902 528 3HD2 LEU 64 HD23 LEU 64 9.449 -6.124 -5.500 529 H VAL 65 HN VAL 65 11.575 -6.888 -6.829 530 HA VAL 65 HA VAL 65 14.441 -6.247 -7.043 531 HB VAL 65 HB VAL 65 13.368 -7.633 -9.397 532 1HG1 VAL 65 HG11 VAL 65 15.564 -8.564 -9.431 533 2HG1 VAL 65 HG12 VAL 65 15.810 -8.231 -7.716 534 3HG1 VAL 65 HG13 VAL 65 15.767 -6.902 -8.875 535 1HG2 VAL 65 HG21 VAL 65 12.240 -8.952 -7.668 536 2HG2 VAL 65 HG22 VAL 65 13.746 -9.091 -6.761 537 3HG2 VAL 65 HG23 VAL 65 13.587 -9.879 -8.330 538 H VAL 66 HN VAL 66 11.208 -5.479 -7.796 539 HA VAL 66 HA VAL 66 12.099 -3.584 -9.870 540 HB VAL 66 HB VAL 66 9.703 -3.578 -10.555 541 1HG1 VAL 66 HG11 VAL 66 11.680 -5.361 -11.183 542 2HG1 VAL 66 HG12 VAL 66 10.113 -5.297 -11.988 543 3HG1 VAL 66 HG13 VAL 66 10.384 -6.442 -10.674 544 1HG2 VAL 66 HG21 VAL 66 9.062 -4.494 -8.181 545 2HG2 VAL 66 HG22 VAL 66 9.350 -6.067 -8.923 546 3HG2 VAL 66 HG23 VAL 66 8.121 -4.990 -9.589 547 H THR 67 HN THR 67 11.537 -1.445 -9.695 548 HA THR 67 HA THR 67 9.982 -0.614 -7.349 549 HB THR 67 HB THR 67 11.677 1.268 -7.035 550 HG1 THR 67 HG1 THR 67 12.876 1.097 -8.866 551 1HG2 THR 67 HG21 THR 67 11.799 -0.239 -5.304 552 2HG2 THR 67 HG22 THR 67 13.370 -0.562 -6.038 553 3HG2 THR 67 HG23 THR 67 12.002 -1.620 -6.381 554 HA PRO 68 HA PRO 68 9.535 1.510 -6.513 555 1HB PRO 68 HB2 PRO 68 6.840 2.491 -6.763 556 2HB PRO 68 HB1 PRO 68 8.289 3.377 -6.267 557 1HG PRO 68 HG2 PRO 68 6.876 3.736 -8.628 558 2HG PRO 68 HG1 PRO 68 8.506 4.329 -8.283 559 1HD PRO 68 HD2 PRO 68 7.663 2.038 -9.964 560 2HD PRO 68 HD1 PRO 68 9.152 3.005 -10.035 561 H ALA 69 HN ALA 69 8.258 0.415 -4.924 562 HA ALA 69 HA ALA 69 6.229 -1.456 -5.895 563 1HB ALA 69 HB1 ALA 69 8.258 -2.743 -6.152 564 2HB ALA 69 HB2 ALA 69 7.395 -3.349 -4.737 565 3HB ALA 69 HB3 ALA 69 8.796 -2.297 -4.532 566 H LEU 70 HN LEU 70 4.937 -2.337 -4.208 567 HA LEU 70 HA LEU 70 5.243 -1.021 -1.584 568 1HB LEU 70 HB2 LEU 70 3.396 -0.110 -3.117 569 2HB LEU 70 HB1 LEU 70 2.579 -1.642 -2.842 570 HG LEU 70 HG LEU 70 3.583 0.037 -0.547 571 1HD1 LEU 70 HD11 LEU 70 0.935 0.561 -0.568 572 2HD1 LEU 70 HD12 LEU 70 1.220 0.433 -2.304 573 3HD1 LEU 70 HD13 LEU 70 2.121 1.608 -1.346 574 1HD2 LEU 70 HD21 LEU 70 2.952 -1.958 0.388 575 2HD2 LEU 70 HD22 LEU 70 1.852 -2.357 -0.932 576 3HD2 LEU 70 HD23 LEU 70 1.360 -1.209 0.309 577 H VAL 71 HN VAL 71 5.186 -2.393 0.144 578 HA VAL 71 HA VAL 71 4.183 -5.121 -0.369 579 HB VAL 71 HB VAL 71 6.613 -4.437 1.285 580 1HG1 VAL 71 HG11 VAL 71 5.113 -6.610 1.560 581 2HG1 VAL 71 HG12 VAL 71 6.874 -6.717 1.599 582 3HG1 VAL 71 HG13 VAL 71 5.997 -7.127 0.125 583 1HG2 VAL 71 HG21 VAL 71 6.246 -4.979 -1.623 584 2HG2 VAL 71 HG22 VAL 71 7.596 -5.792 -0.833 585 3HG2 VAL 71 HG23 VAL 71 7.488 -4.032 -0.805 586 H LYS 72 HN LYS 72 2.758 -5.877 1.016 587 HA LYS 72 HA LYS 72 2.195 -4.389 3.485 588 1HB LYS 72 HB2 LYS 72 0.312 -4.997 1.971 589 2HB LYS 72 HB1 LYS 72 0.682 -6.702 2.230 590 1HG LYS 72 HG2 LYS 72 0.580 -5.725 4.808 591 2HG LYS 72 HG1 LYS 72 -0.686 -4.797 4.003 592 1HD LYS 72 HD2 LYS 72 -1.473 -7.049 3.030 593 2HD LYS 72 HD1 LYS 72 -0.434 -7.791 4.247 594 1HE LYS 72 HE2 LYS 72 -1.808 -5.908 5.718 595 2HE LYS 72 HE1 LYS 72 -3.029 -6.458 4.570 596 1HZ LYS 72 HZ1 LYS 72 -2.144 -7.763 6.851 597 2HZ LYS 72 HZ2 LYS 72 -1.565 -8.666 5.533 598 3HZ LYS 72 HZ3 LYS 72 -3.226 -8.344 5.681 599 H ILE 73 HN ILE 73 2.858 -5.125 5.431 600 HA ILE 73 HA ILE 73 4.056 -7.813 5.499 601 HB ILE 73 HB ILE 73 4.848 -6.776 7.834 602 1HG1 ILE 73 HG12 ILE 73 3.455 -4.660 7.029 603 2HG1 ILE 73 HG11 ILE 73 4.981 -4.461 7.885 604 1HG2 ILE 73 HG21 ILE 73 6.866 -5.915 6.528 605 2HG2 ILE 73 HG22 ILE 73 5.974 -6.328 5.062 606 3HG2 ILE 73 HG23 ILE 73 6.407 -7.590 6.216 607 1HD1 ILE 73 HD11 ILE 73 4.850 -4.629 4.870 608 2HD1 ILE 73 HD12 ILE 73 6.175 -4.034 5.873 609 3HD1 ILE 73 HD13 ILE 73 4.688 -3.096 5.727 610 H GLY 74 HN GLY 74 1.354 -6.013 6.738 611 1HA GLY 74 HA2 GLY 74 -0.404 -7.671 7.526 612 2HA GLY 74 HA1 GLY 74 0.827 -8.208 8.658 613 HA PRO 75 HA PRO 75 0.122 -8.643 10.667 614 1HB PRO 75 HB2 PRO 75 -2.592 -8.669 11.611 615 2HB PRO 75 HB1 PRO 75 -1.101 -8.709 12.560 616 1HG PRO 75 HG2 PRO 75 -2.928 -6.536 12.168 617 2HG PRO 75 HG1 PRO 75 -1.514 -6.625 13.224 618 1HD PRO 75 HD2 PRO 75 -1.764 -5.096 10.865 619 2HD PRO 75 HD1 PRO 75 -0.279 -5.371 11.790 620 H GLY 76 HN GLY 76 -0.886 -10.627 9.987 621 1HA GLY 76 HA2 GLY 76 -2.616 -11.792 8.744 622 2HA GLY 76 HA1 GLY 76 -2.812 -10.342 7.761 623 H SER 77 HN SER 77 -2.515 -11.929 5.968 624 HA SER 77 HA SER 77 -0.008 -13.214 5.578 625 1HB SER 77 HB2 SER 77 -1.713 -14.157 4.317 626 2HB SER 77 HB1 SER 77 -2.352 -12.596 3.812 627 HG SER 77 HG SER 77 -0.976 -12.578 2.213 628 H ARG 78 HN ARG 78 1.548 -12.733 3.934 629 HA ARG 78 HA ARG 78 2.075 -9.844 3.751 630 1HB ARG 78 HB2 ARG 78 3.803 -11.427 4.690 631 2HB ARG 78 HB1 ARG 78 3.937 -12.130 3.078 632 1HG ARG 78 HG2 ARG 78 4.520 -9.907 2.164 633 2HG ARG 78 HG1 ARG 78 4.407 -9.218 3.784 634 1HD ARG 78 HD2 ARG 78 6.724 -9.656 3.436 635 2HD ARG 78 HD1 ARG 78 6.148 -10.941 4.493 636 HE ARG 78 HE ARG 78 6.586 -12.457 2.789 637 1HH1 ARG 78 HH11 ARG 78 4.935 -10.940 0.705 638 2HH1 ARG 78 HH12 ARG 78 6.129 -10.614 -0.507 639 1HH2 ARG 78 HH21 ARG 78 8.814 -11.297 1.581 640 2HH2 ARG 78 HH22 ARG 78 8.327 -10.821 -0.011 641 H GLN 79 HN GLN 79 2.367 -8.803 1.796 642 HA GLN 79 HA GLN 79 2.110 -10.390 -0.666 643 1HB GLN 79 HB2 GLN 79 0.388 -7.995 0.019 644 2HB GLN 79 HB1 GLN 79 0.446 -8.785 -1.556 645 1HG GLN 79 HG2 GLN 79 -0.300 -10.901 -0.516 646 2HG GLN 79 HG1 GLN 79 -0.382 -10.094 1.050 647 1HE2 GLN 79 HE21 GLN 79 -2.621 -11.284 -0.628 648 2HE2 GLN 79 HE22 GLN 79 -3.727 -10.014 -0.831 649 H VAL 80 HN VAL 80 2.777 -9.236 -2.575 650 HA VAL 80 HA VAL 80 4.434 -6.852 -2.024 651 HB VAL 80 HB VAL 80 5.180 -9.204 -3.784 652 1HG1 VAL 80 HG11 VAL 80 5.927 -6.949 -4.602 653 2HG1 VAL 80 HG12 VAL 80 7.263 -8.011 -4.162 654 3HG1 VAL 80 HG13 VAL 80 6.766 -6.720 -3.069 655 1HG2 VAL 80 HG21 VAL 80 5.351 -9.061 -1.061 656 2HG2 VAL 80 HG22 VAL 80 6.898 -8.356 -1.531 657 3HG2 VAL 80 HG23 VAL 80 6.469 -9.980 -2.069 658 H LEU 81 HN LEU 81 3.608 -5.213 -3.142 659 HA LEU 81 HA LEU 81 2.388 -5.772 -5.774 660 1HB LEU 81 HB2 LEU 81 1.968 -3.304 -4.091 661 2HB LEU 81 HB1 LEU 81 1.008 -3.854 -5.460 662 HG LEU 81 HG LEU 81 1.283 -5.474 -2.919 663 1HD1 LEU 81 HD11 LEU 81 -1.239 -4.441 -2.850 664 2HD1 LEU 81 HD12 LEU 81 -0.340 -3.081 -3.524 665 3HD1 LEU 81 HD13 LEU 81 0.126 -3.760 -1.964 666 1HD2 LEU 81 HD21 LEU 81 0.336 -6.218 -5.358 667 2HD2 LEU 81 HD22 LEU 81 -1.128 -5.543 -4.650 668 3HD2 LEU 81 HD23 LEU 81 -0.287 -6.867 -3.843 669 H SER 82 HN SER 82 3.340 -4.890 -7.547 670 HA SER 82 HA SER 82 4.950 -2.501 -7.309 671 1HB SER 82 HB2 SER 82 6.612 -4.125 -6.641 672 2HB SER 82 HB1 SER 82 6.248 -5.132 -8.037 673 HG SER 82 HG SER 82 6.745 -3.005 -9.195 674 H GLY 83 HN GLY 83 6.005 -1.981 -9.435 675 1HA GLY 83 HA2 GLY 83 5.982 -1.952 -11.787 676 2HA GLY 83 HA1 GLY 83 4.633 -3.080 -11.773 677 H ILE 84 HN ILE 84 5.180 0.117 -10.332 678 HA ILE 84 HA ILE 84 3.781 1.943 -10.158 679 HB ILE 84 HB ILE 84 3.315 2.959 -12.299 680 1HG1 ILE 84 HG12 ILE 84 3.992 0.287 -13.566 681 2HG1 ILE 84 HG11 ILE 84 2.334 0.827 -13.298 682 1HG2 ILE 84 HG21 ILE 84 5.847 1.321 -12.129 683 2HG2 ILE 84 HG22 ILE 84 5.627 3.025 -11.732 684 3HG2 ILE 84 HG23 ILE 84 5.582 2.499 -13.414 685 1HD1 ILE 84 HD11 ILE 84 3.915 1.402 -15.520 686 2HD1 ILE 84 HD12 ILE 84 3.951 2.888 -14.571 687 3HD1 ILE 84 HD13 ILE 84 2.407 2.203 -15.080 688 H ASP 85 HN ASP 85 2.447 -0.973 -10.522 689 HA ASP 85 HA ASP 85 -0.289 -0.034 -11.047 690 1HB ASP 85 HB2 ASP 85 -0.885 -2.382 -11.190 691 2HB ASP 85 HB1 ASP 85 0.530 -2.086 -12.198 692 H LEU 86 HN LEU 86 1.588 0.149 -8.540 693 HA LEU 86 HA LEU 86 0.649 -1.249 -6.386 694 1HB LEU 86 HB2 LEU 86 1.381 1.685 -6.472 695 2HB LEU 86 HB1 LEU 86 1.347 0.671 -5.030 696 HG LEU 86 HG LEU 86 3.095 0.198 -7.461 697 1HD1 LEU 86 HD11 LEU 86 4.594 0.572 -5.080 698 2HD1 LEU 86 HD12 LEU 86 3.415 1.881 -5.138 699 3HD1 LEU 86 HD13 LEU 86 4.529 1.639 -6.483 700 1HD2 LEU 86 HD21 LEU 86 2.393 -1.375 -5.047 701 2HD2 LEU 86 HD22 LEU 86 4.106 -1.316 -5.450 702 3HD2 LEU 86 HD23 LEU 86 2.946 -1.927 -6.629 703 H THR 87 HN THR 87 -0.733 1.801 -7.650 704 HA THR 87 HA THR 87 -2.757 1.963 -5.683 705 HB THR 87 HB THR 87 -3.768 3.660 -7.113 706 HG1 THR 87 HG1 THR 87 -1.883 2.776 -9.038 707 1HG2 THR 87 HG21 THR 87 -1.886 5.170 -7.260 708 2HG2 THR 87 HG22 THR 87 -0.751 3.823 -7.317 709 3HG2 THR 87 HG23 THR 87 -1.654 4.152 -5.839 710 H ASP 88 HN ASP 88 -2.707 0.463 -8.894 711 HA ASP 88 HA ASP 88 -5.506 -0.126 -8.903 712 1HB ASP 88 HB2 ASP 88 -3.184 -1.322 -10.437 713 2HB ASP 88 HB1 ASP 88 -4.877 -1.692 -10.745 714 H GLN 89 HN GLN 89 -2.574 -2.017 -8.243 715 HA GLN 89 HA GLN 89 -3.969 -4.370 -7.450 716 1HB GLN 89 HB2 GLN 89 -1.382 -3.803 -8.093 717 2HB GLN 89 HB1 GLN 89 -1.274 -3.946 -6.336 718 1HG GLN 89 HG2 GLN 89 -2.298 -6.146 -6.398 719 2HG GLN 89 HG1 GLN 89 -2.606 -5.995 -8.126 720 1HE2 GLN 89 HE21 GLN 89 0.271 -4.526 -7.959 721 2HE2 GLN 89 HE22 GLN 89 1.319 -5.851 -8.126 722 H LEU 90 HN LEU 90 -2.513 -1.648 -5.647 723 HA LEU 90 HA LEU 90 -2.929 -2.635 -3.056 724 1HB LEU 90 HB2 LEU 90 -1.588 -0.644 -3.462 725 2HB LEU 90 HB1 LEU 90 -3.005 0.223 -4.056 726 HG LEU 90 HG LEU 90 -4.081 -0.108 -1.820 727 1HD1 LEU 90 HD11 LEU 90 -3.119 -1.907 -0.748 728 2HD1 LEU 90 HD12 LEU 90 -2.143 -0.619 -0.038 729 3HD1 LEU 90 HD13 LEU 90 -1.512 -1.563 -1.389 730 1HD2 LEU 90 HD21 LEU 90 -2.976 1.997 -2.246 731 2HD2 LEU 90 HD22 LEU 90 -1.392 1.286 -1.933 732 3HD2 LEU 90 HD23 LEU 90 -2.542 1.495 -0.612 733 H ALA 91 HN ALA 91 -5.037 -0.596 -5.068 734 HA ALA 91 HA ALA 91 -7.170 -0.374 -3.258 735 1HB ALA 91 HB1 ALA 91 -8.541 0.137 -5.265 736 2HB ALA 91 HB2 ALA 91 -7.197 -0.379 -6.285 737 3HB ALA 91 HB3 ALA 91 -7.020 1.032 -5.242 738 H ASN 92 HN ASN 92 -6.228 -2.933 -5.449 739 HA ASN 92 HA ASN 92 -8.714 -4.380 -5.242 740 1HB ASN 92 HB2 ASN 92 -5.992 -5.079 -6.344 741 2HB ASN 92 HB1 ASN 92 -7.376 -6.160 -6.404 742 1HD2 ASN 92 HD21 ASN 92 -6.091 -5.080 -8.775 743 2HD2 ASN 92 HD22 ASN 92 -7.218 -4.078 -9.555 744 H GLN 93 HN GLN 93 -5.507 -4.540 -3.792 745 HA GLN 93 HA GLN 93 -6.007 -6.982 -2.387 746 1HB GLN 93 HB2 GLN 93 -3.823 -4.914 -2.139 747 2HB GLN 93 HB1 GLN 93 -3.850 -6.437 -1.256 748 1HG GLN 93 HG2 GLN 93 -3.898 -6.163 -4.271 749 2HG GLN 93 HG1 GLN 93 -2.496 -6.630 -3.310 750 1HE2 GLN 93 HE21 GLN 93 -4.739 -8.010 -5.241 751 2HE2 GLN 93 HE22 GLN 93 -4.917 -9.513 -4.475 752 H LEU 94 HN LEU 94 -6.089 -3.543 -1.547 753 HA LEU 94 HA LEU 94 -6.230 -3.754 1.209 754 1HB LEU 94 HB2 LEU 94 -6.017 -1.598 0.300 755 2HB LEU 94 HB1 LEU 94 -7.445 -1.774 -0.703 756 HG LEU 94 HG LEU 94 -8.885 -1.786 1.274 757 1HD1 LEU 94 HD11 LEU 94 -7.572 -1.146 3.483 758 2HD1 LEU 94 HD12 LEU 94 -6.232 -1.950 2.666 759 3HD1 LEU 94 HD13 LEU 94 -7.721 -2.835 2.996 760 1HD2 LEU 94 HD21 LEU 94 -8.835 0.458 1.049 761 2HD2 LEU 94 HD22 LEU 94 -7.155 0.403 0.514 762 3HD2 LEU 94 HD23 LEU 94 -7.531 0.508 2.234 763 HA PRO 95 HA PRO 95 -11.146 -4.029 0.862 764 1HB PRO 95 HB2 PRO 95 -11.592 -5.546 -1.539 765 2HB PRO 95 HB1 PRO 95 -12.184 -3.924 -1.153 766 1HG PRO 95 HG2 PRO 95 -9.943 -4.733 -2.840 767 2HG PRO 95 HG1 PRO 95 -10.820 -3.198 -2.783 768 1HD PRO 95 HD2 PRO 95 -8.251 -3.493 -1.871 769 2HD PRO 95 HD1 PRO 95 -9.390 -2.282 -1.241 770 H GLN 96 HN GLN 96 -9.101 -6.429 -0.776 771 HA GLN 96 HA GLN 96 -10.378 -8.741 0.228 772 1HB GLN 96 HB2 GLN 96 -7.541 -8.307 -0.733 773 2HB GLN 96 HB1 GLN 96 -8.268 -9.887 -0.433 774 1HG GLN 96 HG2 GLN 96 -9.997 -9.453 -2.095 775 2HG GLN 96 HG1 GLN 96 -9.386 -7.819 -2.343 776 1HE2 GLN 96 HE21 GLN 96 -9.465 -9.297 -4.625 777 2HE2 GLN 96 HE22 GLN 96 -7.923 -9.849 -5.065 778 H TRP 97 HN TRP 97 -7.785 -6.710 1.462 779 HA TRP 97 HA TRP 97 -6.966 -8.412 3.584 780 1HB TRP 97 HB2 TRP 97 -6.852 -5.389 3.416 781 2HB TRP 97 HB1 TRP 97 -5.942 -6.396 4.539 782 HD1 TRP 97 HD1 TRP 97 -5.847 -8.464 1.691 783 HE1 TRP 97 HE1 TRP 97 -3.773 -8.052 0.208 784 HE3 TRP 97 HE3 TRP 97 -4.372 -3.906 3.469 785 HZ2 TRP 97 HZ2 TRP 97 -1.768 -6.054 -0.177 786 HZ3 TRP 97 HZ3 TRP 97 -2.382 -2.773 2.524 787 HH2 TRP 97 HH2 TRP 97 -1.079 -3.841 0.705 788 H LEU 98 HN LEU 98 -9.390 -5.862 3.306 789 HA LEU 98 HA LEU 98 -10.163 -6.001 6.078 790 1HB LEU 98 HB2 LEU 98 -11.457 -4.670 3.689 791 2HB LEU 98 HB1 LEU 98 -11.942 -4.442 5.367 792 HG LEU 98 HG LEU 98 -9.139 -3.897 4.363 793 1HD1 LEU 98 HD11 LEU 98 -9.937 -1.454 4.702 794 2HD1 LEU 98 HD12 LEU 98 -11.566 -2.119 4.578 795 3HD1 LEU 98 HD13 LEU 98 -10.441 -2.286 3.230 796 1HD2 LEU 98 HD21 LEU 98 -8.738 -3.799 6.585 797 2HD2 LEU 98 HD22 LEU 98 -10.455 -3.945 6.961 798 3HD2 LEU 98 HD23 LEU 98 -9.758 -2.361 6.623 799 H VAL 99 HN VAL 99 -11.481 -7.100 2.983 800 HA VAL 99 HA VAL 99 -13.890 -8.167 4.051 801 HB VAL 99 HB VAL 99 -12.401 -8.674 1.475 802 1HG1 VAL 99 HG11 VAL 99 -14.961 -9.802 2.563 803 2HG1 VAL 99 HG12 VAL 99 -13.685 -10.604 1.647 804 3HG1 VAL 99 HG13 VAL 99 -14.802 -9.512 0.830 805 1HG2 VAL 99 HG21 VAL 99 -15.046 -7.363 1.514 806 2HG2 VAL 99 HG22 VAL 99 -13.583 -6.922 0.633 807 3HG2 VAL 99 HG23 VAL 99 -13.769 -6.454 2.323 808 H GLN 100 HN GLN 100 -10.881 -9.743 2.992 809 HA GLN 100 HA GLN 100 -10.046 -11.854 3.392 810 1HB GLN 100 HB2 GLN 100 -11.290 -11.274 6.088 811 2HB GLN 100 HB1 GLN 100 -10.080 -12.518 5.767 812 1HG GLN 100 HG2 GLN 100 -9.508 -9.710 4.916 813 2HG GLN 100 HG1 GLN 100 -9.351 -10.118 6.624 814 1HE2 GLN 100 HE21 GLN 100 -6.953 -9.579 5.991 815 2HE2 GLN 100 HE22 GLN 100 -6.015 -10.883 5.442 816 H GLN 101 HN GLN 101 -12.689 -11.867 2.179 817 HA GLN 101 HA GLN 101 -13.888 -14.252 3.452 818 1HB GLN 101 HB2 GLN 101 -15.054 -12.263 1.493 819 2HB GLN 101 HB1 GLN 101 -15.862 -13.750 1.978 820 1HG GLN 101 HG2 GLN 101 -15.808 -13.037 4.329 821 2HG GLN 101 HG1 GLN 101 -14.972 -11.558 3.869 822 1HE2 GLN 101 HE21 GLN 101 -18.094 -13.247 3.693 823 2HE2 GLN 101 HE22 GLN 101 -18.992 -11.885 3.225 824 H GLU 102 HN GLU 102 -13.624 -16.168 2.516 825 HA GLU 102 HA GLU 102 -12.461 -16.271 -0.179 826 1HB GLU 102 HB2 GLU 102 -12.810 -18.453 1.893 827 2HB GLU 102 HB1 GLU 102 -11.937 -18.604 0.368 828 1HG GLU 102 HG2 GLU 102 -11.241 -16.809 2.706 829 2HG GLU 102 HG1 GLU 102 -10.306 -18.170 2.092 830 H GLY 103 HN GLY 103 -15.462 -16.322 1.202 831 1HA GLY 103 HA2 GLY 103 -16.912 -16.954 -1.057 832 2HA GLY 103 HA1 GLY 103 -16.706 -18.480 -0.203 833 H ILE 104 HN ILE 104 -19.166 -18.167 -0.213 834 HA ILE 104 HA ILE 104 -20.024 -16.452 2.030 835 HB ILE 104 HB ILE 104 -21.692 -17.814 -0.099 836 1HG1 ILE 104 HG12 ILE 104 -20.953 -14.890 0.241 837 2HG1 ILE 104 HG11 ILE 104 -20.196 -15.977 -0.925 838 1HG2 ILE 104 HG21 ILE 104 -22.920 -17.466 1.994 839 2HG2 ILE 104 HG22 ILE 104 -23.477 -16.317 0.778 840 3HG2 ILE 104 HG23 ILE 104 -22.380 -15.788 2.054 841 1HD1 ILE 104 HD11 ILE 104 -21.838 -15.235 -2.319 842 2HD1 ILE 104 HD12 ILE 104 -22.869 -14.713 -0.986 843 3HD1 ILE 104 HD13 ILE 104 -22.835 -16.411 -1.463 844 H PHE 105 HN PHE 105 -20.626 -17.332 3.902 845 HA PHE 105 HA PHE 105 -20.106 -19.727 4.906 846 1HB PHE 105 HB2 PHE 105 -21.392 -17.828 6.028 847 2HB PHE 105 HB1 PHE 105 -22.852 -18.572 5.380 848 HD1 PHE 105 HD1 PHE 105 -19.907 -19.144 7.573 849 HD2 PHE 105 HD2 PHE 105 -23.774 -20.560 6.347 850 HE1 PHE 105 HE1 PHE 105 -19.909 -20.763 9.451 851 HE2 PHE 105 HE2 PHE 105 -23.775 -22.179 8.227 852 HZ PHE 105 HZ PHE 105 -21.842 -22.281 9.779 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -12.981 -8.038 38.120 2 2H GLY 1 HT2 GLY 1 -12.261 -7.087 39.331 3 3H GLY 1 HT3 GLY 1 -11.947 -8.756 39.256 4 1HA GLY 1 HA2 GLY 1 -10.695 -6.593 37.849 5 2HA GLY 1 HA1 GLY 1 -10.123 -8.242 38.114 6 H SER 2 HN SER 2 -11.246 -6.080 35.814 7 HA SER 2 HA SER 2 -11.679 -8.277 33.895 8 1HB SER 2 HB2 SER 2 -13.404 -5.864 34.375 9 2HB SER 2 HB1 SER 2 -13.352 -6.633 32.790 10 HG SER 2 HG SER 2 -14.940 -7.666 33.895 11 H SER 3 HN SER 3 -12.155 -4.969 33.003 12 HA SER 3 HA SER 3 -10.165 -5.057 30.989 13 1HB SER 3 HB2 SER 3 -10.752 -2.796 30.534 14 2HB SER 3 HB1 SER 3 -12.240 -3.574 31.065 15 HG SER 3 HG SER 3 -10.899 -1.509 32.156 16 H LEU 4 HN LEU 4 -8.227 -3.786 30.822 17 HA LEU 4 HA LEU 4 -6.982 -3.235 33.451 18 1HB LEU 4 HB2 LEU 4 -6.108 -5.191 31.991 19 2HB LEU 4 HB1 LEU 4 -5.425 -3.924 30.971 20 HG LEU 4 HG LEU 4 -3.747 -4.600 32.596 21 1HD1 LEU 4 HD11 LEU 4 -3.190 -2.467 33.464 22 2HD1 LEU 4 HD12 LEU 4 -4.883 -2.005 33.642 23 3HD1 LEU 4 HD13 LEU 4 -4.162 -2.113 32.036 24 1HD2 LEU 4 HD21 LEU 4 -5.267 -3.649 34.946 25 2HD2 LEU 4 HD22 LEU 4 -4.197 -5.042 34.787 26 3HD2 LEU 4 HD23 LEU 4 -5.869 -5.147 34.237 27 H SER 5 HN SER 5 -5.987 -2.493 30.126 28 HA SER 5 HA SER 5 -5.609 0.307 30.930 29 1HB SER 5 HB2 SER 5 -4.718 -0.179 28.264 30 2HB SER 5 HB1 SER 5 -3.749 0.163 29.695 31 HG SER 5 HG SER 5 -3.857 -2.080 30.179 32 HA PRO 6 HA PRO 6 -8.942 2.123 28.764 33 1HB PRO 6 HB2 PRO 6 -7.387 3.660 26.892 34 2HB PRO 6 HB1 PRO 6 -8.176 4.219 28.375 35 1HG PRO 6 HG2 PRO 6 -5.375 3.613 27.884 36 2HG PRO 6 HG1 PRO 6 -6.117 4.510 29.214 37 1HD PRO 6 HD2 PRO 6 -4.987 2.003 29.477 38 2HD PRO 6 HD1 PRO 6 -6.232 2.655 30.565 39 H GLN 7 HN GLN 7 -10.197 1.735 26.951 40 HA GLN 7 HA GLN 7 -10.472 -0.216 25.400 41 1HB GLN 7 HB2 GLN 7 -10.135 2.561 24.296 42 2HB GLN 7 HB1 GLN 7 -10.587 1.212 23.253 43 1HG GLN 7 HG2 GLN 7 -12.532 0.739 24.661 44 2HG GLN 7 HG1 GLN 7 -12.068 2.028 25.770 45 1HE2 GLN 7 HE21 GLN 7 -11.673 4.249 24.445 46 2HE2 GLN 7 HE22 GLN 7 -12.903 4.621 23.336 47 H ALA 8 HN ALA 8 -8.863 -1.713 25.193 48 HA ALA 8 HA ALA 8 -6.268 -1.110 24.170 49 1HB ALA 8 HB1 ALA 8 -5.968 -3.547 24.112 50 2HB ALA 8 HB2 ALA 8 -7.696 -3.770 24.389 51 3HB ALA 8 HB3 ALA 8 -6.690 -3.039 25.640 52 H LEU 9 HN LEU 9 -5.714 -0.749 22.139 53 HA LEU 9 HA LEU 9 -7.582 -1.374 20.004 54 1HB LEU 9 HB2 LEU 9 -6.233 0.038 18.592 55 2HB LEU 9 HB1 LEU 9 -6.527 0.863 20.114 56 HG LEU 9 HG LEU 9 -4.247 1.253 19.677 57 1HD1 LEU 9 HD11 LEU 9 -3.020 0.050 21.396 58 2HD1 LEU 9 HD12 LEU 9 -4.248 -1.207 21.443 59 3HD1 LEU 9 HD13 LEU 9 -4.638 0.429 21.980 60 1HD2 LEU 9 HD21 LEU 9 -4.363 -0.875 18.002 61 2HD2 LEU 9 HD22 LEU 9 -3.409 -1.561 19.318 62 3HD2 LEU 9 HD23 LEU 9 -2.859 -0.104 18.497 63 H ALA 10 HN ALA 10 -7.169 -2.692 18.251 64 HA ALA 10 HA ALA 10 -5.621 -5.014 18.777 65 1HB ALA 10 HB1 ALA 10 -6.263 -5.663 16.462 66 2HB ALA 10 HB2 ALA 10 -6.940 -4.052 16.230 67 3HB ALA 10 HB3 ALA 10 -7.636 -5.138 17.431 68 H GLN 11 HN GLN 11 -4.482 -5.653 16.311 69 HA GLN 11 HA GLN 11 -2.015 -4.121 16.487 70 1HB GLN 11 HB2 GLN 11 -2.827 -6.692 15.169 71 2HB GLN 11 HB1 GLN 11 -1.323 -5.892 14.709 72 1HG GLN 11 HG2 GLN 11 -2.083 -6.629 17.551 73 2HG GLN 11 HG1 GLN 11 -0.998 -7.570 16.525 74 1HE2 GLN 11 HE21 GLN 11 0.977 -6.303 15.675 75 2HE2 GLN 11 HE22 GLN 11 1.656 -5.140 16.706 76 HA PRO 12 HA PRO 12 -3.433 -1.567 13.070 77 1HB PRO 12 HB2 PRO 12 -0.788 -0.495 12.768 78 2HB PRO 12 HB1 PRO 12 -2.209 0.282 13.477 79 1HG PRO 12 HG2 PRO 12 0.100 -0.712 14.798 80 2HG PRO 12 HG1 PRO 12 -1.320 0.064 15.504 81 1HD PRO 12 HD2 PRO 12 -0.563 -2.701 15.658 82 2HD PRO 12 HD1 PRO 12 -1.991 -1.919 16.362 83 H LEU 13 HN LEU 13 -2.967 -1.368 10.787 84 HA LEU 13 HA LEU 13 -1.779 -3.762 9.676 85 1HB LEU 13 HB2 LEU 13 -3.880 -2.601 8.801 86 2HB LEU 13 HB1 LEU 13 -2.805 -1.364 8.159 87 HG LEU 13 HG LEU 13 -2.558 -4.317 7.525 88 1HD1 LEU 13 HD11 LEU 13 -4.345 -3.954 6.186 89 2HD1 LEU 13 HD12 LEU 13 -3.266 -2.949 5.214 90 3HD1 LEU 13 HD13 LEU 13 -4.282 -2.211 6.454 91 1HD2 LEU 13 HD21 LEU 13 -0.480 -3.532 6.967 92 2HD2 LEU 13 HD22 LEU 13 -1.027 -1.860 6.857 93 3HD2 LEU 13 HD23 LEU 13 -1.320 -2.971 5.524 94 H LEU 14 HN LEU 14 0.267 -3.937 8.931 95 HA LEU 14 HA LEU 14 1.882 -1.499 8.916 96 1HB LEU 14 HB2 LEU 14 2.664 -4.418 8.818 97 2HB LEU 14 HB1 LEU 14 3.785 -3.064 8.915 98 HG LEU 14 HG LEU 14 1.711 -3.885 10.959 99 1HD1 LEU 14 HD11 LEU 14 3.646 -4.166 12.420 100 2HD1 LEU 14 HD12 LEU 14 4.721 -3.583 11.148 101 3HD1 LEU 14 HD13 LEU 14 3.876 -5.119 10.954 102 1HD2 LEU 14 HD21 LEU 14 1.588 -1.547 11.076 103 2HD2 LEU 14 HD22 LEU 14 3.275 -1.339 10.601 104 3HD2 LEU 14 HD23 LEU 14 2.881 -1.901 12.226 105 H LEU 15 HN LEU 15 2.139 -0.486 7.098 106 HA LEU 15 HA LEU 15 2.154 -2.008 4.564 107 1HB LEU 15 HB2 LEU 15 0.155 -0.450 5.117 108 2HB LEU 15 HB1 LEU 15 1.290 0.870 4.857 109 HG LEU 15 HG LEU 15 -0.011 0.319 2.813 110 1HD1 LEU 15 HD11 LEU 15 2.577 0.988 3.001 111 2HD1 LEU 15 HD12 LEU 15 1.783 0.729 1.448 112 3HD1 LEU 15 HD13 LEU 15 2.757 -0.553 2.167 113 1HD2 LEU 15 HD21 LEU 15 0.204 -2.260 3.572 114 2HD2 LEU 15 HD22 LEU 15 1.549 -2.190 2.436 115 3HD2 LEU 15 HD23 LEU 15 -0.084 -1.787 1.899 116 H GLN 16 HN GLN 16 3.943 -1.729 3.287 117 HA GLN 16 HA GLN 16 5.682 0.571 3.922 118 1HB GLN 16 HB2 GLN 16 6.428 -2.321 3.681 119 2HB GLN 16 HB1 GLN 16 7.602 -1.064 3.291 120 1HG GLN 16 HG2 GLN 16 7.249 -0.045 5.512 121 2HG GLN 16 HG1 GLN 16 6.101 -1.328 5.912 122 1HE2 GLN 16 HE21 GLN 16 8.296 -2.897 4.039 123 2HE2 GLN 16 HE22 GLN 16 9.393 -3.409 5.229 124 H LEU 17 HN LEU 17 7.068 1.280 2.233 125 HA LEU 17 HA LEU 17 6.358 0.360 -0.464 126 1HB LEU 17 HB2 LEU 17 4.944 2.314 0.045 127 2HB LEU 17 HB1 LEU 17 6.388 3.252 0.422 128 HG LEU 17 HG LEU 17 7.182 2.623 -1.959 129 1HD1 LEU 17 HD11 LEU 17 5.767 1.560 -3.374 130 2HD1 LEU 17 HD12 LEU 17 4.376 2.492 -2.820 131 3HD1 LEU 17 HD13 LEU 17 4.901 1.073 -1.919 132 1HD2 LEU 17 HD21 LEU 17 4.808 4.451 -1.487 133 2HD2 LEU 17 HD22 LEU 17 5.815 4.483 -2.935 134 3HD2 LEU 17 HD23 LEU 17 6.514 4.885 -1.367 135 H PHE 18 HN PHE 18 8.115 -0.005 -1.648 136 HA PHE 18 HA PHE 18 10.691 1.063 -0.724 137 1HB PHE 18 HB2 PHE 18 9.945 -1.115 -2.686 138 2HB PHE 18 HB1 PHE 18 11.598 -0.536 -2.481 139 HD1 PHE 18 HD1 PHE 18 8.917 -2.556 -1.067 140 HD2 PHE 18 HD2 PHE 18 12.729 -0.748 -0.265 141 HE1 PHE 18 HE1 PHE 18 9.205 -4.034 0.905 142 HE2 PHE 18 HE2 PHE 18 13.018 -2.220 1.700 143 HZ PHE 18 HZ PHE 18 11.256 -3.866 2.290 144 H VAL 19 HN VAL 19 11.440 2.872 -1.638 145 HA VAL 19 HA VAL 19 10.755 3.347 -4.480 146 HB VAL 19 HB VAL 19 10.397 5.702 -4.004 147 1HG1 VAL 19 HG11 VAL 19 8.548 3.967 -3.693 148 2HG1 VAL 19 HG12 VAL 19 8.300 5.505 -2.864 149 3HG1 VAL 19 HG13 VAL 19 8.850 4.094 -1.961 150 1HG2 VAL 19 HG21 VAL 19 10.985 4.904 -1.133 151 2HG2 VAL 19 HG22 VAL 19 10.378 6.482 -1.636 152 3HG2 VAL 19 HG23 VAL 19 11.981 5.951 -2.147 153 H ASP 20 HN ASP 20 12.188 4.677 -5.646 154 HA ASP 20 HA ASP 20 14.952 4.541 -4.660 155 1HB ASP 20 HB2 ASP 20 15.614 4.823 -6.975 156 2HB ASP 20 HB1 ASP 20 14.410 3.540 -6.878 157 H THR 21 HN THR 21 12.660 6.553 -4.138 158 HA THR 21 HA THR 21 12.630 8.753 -3.480 159 HB THR 21 HB THR 21 14.612 9.988 -3.288 160 HG1 THR 21 HG1 THR 21 15.258 9.932 -5.435 161 1HG2 THR 21 HG21 THR 21 14.521 7.497 -2.315 162 2HG2 THR 21 HG22 THR 21 15.933 8.530 -2.097 163 3HG2 THR 21 HG23 THR 21 15.920 7.311 -3.371 164 H ARG 22 HN ARG 22 12.531 7.629 -6.514 165 HA ARG 22 HA ARG 22 12.800 10.048 -8.035 166 1HB ARG 22 HB2 ARG 22 11.911 8.798 -9.883 167 2HB ARG 22 HB1 ARG 22 12.997 7.729 -8.997 168 1HG ARG 22 HG2 ARG 22 10.922 6.909 -7.738 169 2HG ARG 22 HG1 ARG 22 9.973 7.753 -8.963 170 1HD ARG 22 HD2 ARG 22 12.122 6.028 -10.033 171 2HD ARG 22 HD1 ARG 22 10.830 5.168 -9.204 172 HE ARG 22 HE ARG 22 9.268 6.211 -10.785 173 1HH1 ARG 22 HH11 ARG 22 12.580 6.911 -11.412 174 2HH1 ARG 22 HH12 ARG 22 12.405 6.917 -13.134 175 1HH2 ARG 22 HH21 ARG 22 9.065 5.985 -13.066 176 2HH2 ARG 22 HH22 ARG 22 10.414 6.394 -14.072 177 HA PRO 23 HA PRO 23 9.107 12.185 -7.074 178 1HB PRO 23 HB2 PRO 23 8.345 12.684 -9.795 179 2HB PRO 23 HB1 PRO 23 9.139 13.789 -8.664 180 1HG PRO 23 HG2 PRO 23 10.263 12.276 -10.864 181 2HG PRO 23 HG1 PRO 23 10.955 13.631 -9.961 182 1HD PRO 23 HD2 PRO 23 11.841 11.006 -9.783 183 2HD PRO 23 HD1 PRO 23 12.114 12.244 -8.540 184 H LEU 24 HN LEU 24 8.889 9.898 -9.790 185 HA LEU 24 HA LEU 24 6.127 9.562 -9.893 186 1HB LEU 24 HB2 LEU 24 7.732 8.587 -11.517 187 2HB LEU 24 HB1 LEU 24 8.231 7.425 -10.291 188 HG LEU 24 HG LEU 24 5.730 6.813 -10.113 189 1HD1 LEU 24 HD11 LEU 24 4.354 8.106 -11.351 190 2HD1 LEU 24 HD12 LEU 24 4.998 7.271 -12.764 191 3HD1 LEU 24 HD13 LEU 24 5.701 8.805 -12.251 192 1HD2 LEU 24 HD21 LEU 24 6.572 5.011 -11.162 193 2HD2 LEU 24 HD22 LEU 24 7.822 5.996 -11.921 194 3HD2 LEU 24 HD23 LEU 24 6.255 5.802 -12.706 195 H SER 25 HN SER 25 8.526 7.877 -7.870 196 HA SER 25 HA SER 25 6.705 6.124 -6.596 197 1HB SER 25 HB2 SER 25 8.471 5.674 -5.057 198 2HB SER 25 HB1 SER 25 9.241 5.955 -6.614 199 HG SER 25 HG SER 25 10.345 7.230 -5.240 200 H GLN 26 HN GLN 26 7.942 9.346 -5.772 201 HA GLN 26 HA GLN 26 6.561 9.592 -3.295 202 1HB GLN 26 HB2 GLN 26 7.526 11.704 -5.245 203 2HB GLN 26 HB1 GLN 26 6.951 12.034 -3.610 204 1HG GLN 26 HG2 GLN 26 9.286 10.223 -4.293 205 2HG GLN 26 HG1 GLN 26 9.434 11.884 -3.722 206 1HE2 GLN 26 HE21 GLN 26 9.698 8.817 -2.582 207 2HE2 GLN 26 HE22 GLN 26 9.167 9.046 -0.986 208 H HIS 27 HN HIS 27 5.836 10.167 -6.640 209 HA HIS 27 HA HIS 27 3.393 11.559 -6.446 210 1HB HIS 27 HB2 HIS 27 4.995 10.760 -8.465 211 2HB HIS 27 HB1 HIS 27 3.774 9.497 -8.563 212 HD1 HIS 27 HD1 HIS 27 1.310 11.312 -7.761 213 HD2 HIS 27 HD2 HIS 27 4.185 12.246 -10.636 214 HE1 HIS 27 HE1 HIS 27 0.231 12.988 -9.328 215 H ILE 28 HN ILE 28 4.175 8.130 -6.770 216 HA ILE 28 HA ILE 28 1.549 7.113 -6.528 217 HB ILE 28 HB ILE 28 4.254 5.861 -6.011 218 1HG1 ILE 28 HG12 ILE 28 2.334 5.601 -8.347 219 2HG1 ILE 28 HG11 ILE 28 3.736 6.670 -8.332 220 1HG2 ILE 28 HG21 ILE 28 1.494 4.610 -6.216 221 2HG2 ILE 28 HG22 ILE 28 2.539 4.616 -4.795 222 3HG2 ILE 28 HG23 ILE 28 3.006 3.702 -6.230 223 1HD1 ILE 28 HD11 ILE 28 4.824 4.872 -9.205 224 2HD1 ILE 28 HD12 ILE 28 3.615 3.732 -8.614 225 3HD1 ILE 28 HD13 ILE 28 4.874 4.323 -7.529 226 H VAL 29 HN VAL 29 4.044 7.936 -4.172 227 HA VAL 29 HA VAL 29 2.993 6.635 -1.931 228 HB VAL 29 HB VAL 29 4.524 9.229 -2.180 229 1HG1 VAL 29 HG11 VAL 29 3.249 9.368 -0.123 230 2HG1 VAL 29 HG12 VAL 29 4.906 8.935 0.296 231 3HG1 VAL 29 HG13 VAL 29 3.647 7.700 0.288 232 1HG2 VAL 29 HG21 VAL 29 5.364 6.687 -2.591 233 2HG2 VAL 29 HG22 VAL 29 5.572 6.788 -0.842 234 3HG2 VAL 29 HG23 VAL 29 6.402 7.931 -1.894 235 H GLN 30 HN GLN 30 2.255 9.847 -3.264 236 HA GLN 30 HA GLN 30 0.395 10.619 -1.287 237 1HB GLN 30 HB2 GLN 30 0.508 11.336 -4.228 238 2HB GLN 30 HB1 GLN 30 -0.526 12.131 -3.042 239 1HG GLN 30 HG2 GLN 30 2.500 12.011 -2.978 240 2HG GLN 30 HG1 GLN 30 1.520 13.422 -3.367 241 1HE2 GLN 30 HE21 GLN 30 3.403 12.560 -0.962 242 2HE2 GLN 30 HE22 GLN 30 2.493 13.042 0.388 243 H ARG 31 HN ARG 31 0.035 8.868 -4.356 244 HA ARG 31 HA ARG 31 -2.775 8.582 -4.236 245 1HB ARG 31 HB2 ARG 31 -0.679 6.853 -5.567 246 2HB ARG 31 HB1 ARG 31 -2.418 6.681 -5.815 247 1HG ARG 31 HG2 ARG 31 -2.478 9.110 -6.494 248 2HG ARG 31 HG1 ARG 31 -0.716 9.102 -6.448 249 1HD ARG 31 HD2 ARG 31 -0.720 7.228 -8.092 250 2HD ARG 31 HD1 ARG 31 -2.475 7.365 -8.194 251 HE ARG 31 HE ARG 31 -1.836 9.839 -8.832 252 1HH1 ARG 31 HH11 ARG 31 -2.248 7.965 -11.112 253 2HH1 ARG 31 HH12 ARG 31 -0.766 8.106 -11.998 254 1HH2 ARG 31 HH21 ARG 31 0.968 9.570 -9.372 255 2HH2 ARG 31 HH22 ARG 31 1.059 9.014 -11.010 256 H VAL 32 HN VAL 32 -0.110 6.646 -2.943 257 HA VAL 32 HA VAL 32 -1.694 4.481 -2.024 258 HB VAL 32 HB VAL 32 0.983 5.562 -1.117 259 1HG1 VAL 32 HG11 VAL 32 1.212 3.441 0.138 260 2HG1 VAL 32 HG12 VAL 32 -0.452 3.024 -0.271 261 3HG1 VAL 32 HG13 VAL 32 -0.119 4.412 0.765 262 1HG2 VAL 32 HG21 VAL 32 1.836 3.592 -2.295 263 2HG2 VAL 32 HG22 VAL 32 0.829 4.542 -3.388 264 3HG2 VAL 32 HG23 VAL 32 0.190 3.070 -2.657 265 H LYS 33 HN LYS 33 -0.403 7.348 -0.341 266 HA LYS 33 HA LYS 33 -1.690 6.900 2.121 267 1HB LYS 33 HB2 LYS 33 -0.728 9.434 0.794 268 2HB LYS 33 HB1 LYS 33 -1.318 9.359 2.451 269 1HG LYS 33 HG2 LYS 33 0.410 7.594 2.918 270 2HG LYS 33 HG1 LYS 33 1.062 7.880 1.303 271 1HD LYS 33 HD2 LYS 33 1.370 10.281 1.893 272 2HD LYS 33 HD1 LYS 33 0.820 9.920 3.529 273 1HE LYS 33 HE2 LYS 33 3.013 8.221 2.449 274 2HE LYS 33 HE1 LYS 33 3.422 9.888 2.852 275 1HZ LYS 33 HZ1 LYS 33 3.753 8.702 4.815 276 2HZ LYS 33 HZ2 LYS 33 2.334 7.786 4.622 277 3HZ LYS 33 HZ3 LYS 33 2.238 9.432 5.032 278 H ASN 34 HN ASN 34 -2.659 8.717 -0.756 279 HA ASN 34 HA ASN 34 -4.993 9.884 0.271 280 1HB ASN 34 HB2 ASN 34 -4.290 9.061 -2.553 281 2HB ASN 34 HB1 ASN 34 -5.641 10.098 -2.118 282 1HD2 ASN 34 HD21 ASN 34 -2.903 10.584 -3.577 283 2HD2 ASN 34 HD22 ASN 34 -2.292 11.967 -2.801 284 H ILE 35 HN ILE 35 -4.521 6.793 -1.434 285 HA ILE 35 HA ILE 35 -7.282 6.090 -1.461 286 HB ILE 35 HB ILE 35 -4.806 4.390 -1.719 287 1HG1 ILE 35 HG12 ILE 35 -6.766 5.332 -3.826 288 2HG1 ILE 35 HG11 ILE 35 -5.285 6.204 -3.443 289 1HG2 ILE 35 HG21 ILE 35 -7.747 3.772 -2.005 290 2HG2 ILE 35 HG22 ILE 35 -6.532 2.893 -1.078 291 3HG2 ILE 35 HG23 ILE 35 -6.519 2.821 -2.840 292 1HD1 ILE 35 HD11 ILE 35 -5.476 3.339 -4.415 293 2HD1 ILE 35 HD12 ILE 35 -3.978 4.142 -3.947 294 3HD1 ILE 35 HD13 ILE 35 -4.887 4.718 -5.344 295 H LEU 36 HN LEU 36 -4.581 5.081 0.667 296 HA LEU 36 HA LEU 36 -6.065 3.321 2.273 297 1HB LEU 36 HB2 LEU 36 -3.706 5.075 3.011 298 2HB LEU 36 HB1 LEU 36 -4.332 3.764 4.012 299 HG LEU 36 HG LEU 36 -3.263 3.475 1.187 300 1HD1 LEU 36 HD11 LEU 36 -1.405 2.311 2.224 301 2HD1 LEU 36 HD12 LEU 36 -2.155 2.446 3.814 302 3HD1 LEU 36 HD13 LEU 36 -1.563 3.891 2.993 303 1HD2 LEU 36 HD21 LEU 36 -4.718 1.662 3.065 304 2HD2 LEU 36 HD22 LEU 36 -3.411 0.967 2.106 305 3HD2 LEU 36 HD23 LEU 36 -4.780 1.736 1.305 306 H ALA 37 HN ALA 37 -5.566 6.806 2.480 307 HA ALA 37 HA ALA 37 -7.040 7.171 4.899 308 1HB ALA 37 HB1 ALA 37 -5.395 8.829 4.056 309 2HB ALA 37 HB2 ALA 37 -6.983 9.551 4.324 310 3HB ALA 37 HB3 ALA 37 -6.457 9.160 2.687 311 H ALA 38 HN ALA 38 -7.935 6.267 1.815 312 HA ALA 38 HA ALA 38 -10.499 7.628 1.773 313 1HB ALA 38 HB1 ALA 38 -10.743 6.819 -0.390 314 2HB ALA 38 HB2 ALA 38 -9.771 5.383 -0.073 315 3HB ALA 38 HB3 ALA 38 -8.989 6.952 -0.261 316 H VAL 39 HN VAL 39 -9.584 5.485 3.821 317 HA VAL 39 HA VAL 39 -12.148 4.110 3.823 318 HB VAL 39 HB VAL 39 -10.375 2.728 2.554 319 1HG1 VAL 39 HG11 VAL 39 -8.643 1.772 3.726 320 2HG1 VAL 39 HG12 VAL 39 -9.546 1.742 5.241 321 3HG1 VAL 39 HG13 VAL 39 -8.810 3.244 4.682 322 1HG2 VAL 39 HG21 VAL 39 -12.168 1.837 4.792 323 2HG2 VAL 39 HG22 VAL 39 -11.156 0.643 3.979 324 3HG2 VAL 39 HG23 VAL 39 -12.337 1.574 3.057 325 H GLU 40 HN GLU 40 -9.216 5.065 5.477 326 HA GLU 40 HA GLU 40 -8.643 5.012 7.726 327 1HB GLU 40 HB2 GLU 40 -11.543 5.875 7.848 328 2HB GLU 40 HB1 GLU 40 -10.367 6.083 9.145 329 1HG GLU 40 HG2 GLU 40 -8.950 7.426 7.583 330 2HG GLU 40 HG1 GLU 40 -10.225 7.298 6.373 331 H ALA 41 HN ALA 41 -11.683 4.522 9.062 332 HA ALA 41 HA ALA 41 -12.805 2.625 9.848 333 1HB ALA 41 HB1 ALA 41 -10.504 0.824 9.251 334 2HB ALA 41 HB2 ALA 41 -11.447 1.441 7.895 335 3HB ALA 41 HB3 ALA 41 -12.237 0.503 9.163 336 H THR 42 HN THR 42 -12.247 0.851 11.577 337 HA THR 42 HA THR 42 -10.929 2.231 13.723 338 HB THR 42 HB THR 42 -11.513 0.209 15.042 339 HG1 THR 42 HG1 THR 42 -11.361 -1.039 12.882 340 1HG2 THR 42 HG21 THR 42 -13.212 1.829 15.032 341 2HG2 THR 42 HG22 THR 42 -14.051 0.369 14.507 342 3HG2 THR 42 HG23 THR 42 -13.566 1.583 13.323 343 H VAL 43 HN VAL 43 -9.738 0.418 11.203 344 HA VAL 43 HA VAL 43 -7.404 -0.450 12.790 345 HB VAL 43 HB VAL 43 -7.097 -2.040 10.789 346 1HG1 VAL 43 HG11 VAL 43 -7.654 -3.335 12.566 347 2HG1 VAL 43 HG12 VAL 43 -9.278 -3.339 11.877 348 3HG1 VAL 43 HG13 VAL 43 -8.856 -2.175 13.134 349 1HG2 VAL 43 HG21 VAL 43 -10.051 -1.421 10.518 350 2HG2 VAL 43 HG22 VAL 43 -9.138 -2.606 9.583 351 3HG2 VAL 43 HG23 VAL 43 -8.811 -0.884 9.384 352 HA PRO 44 HA PRO 44 -6.222 2.972 9.795 353 1HB PRO 44 HB2 PRO 44 -4.201 3.699 11.705 354 2HB PRO 44 HB1 PRO 44 -5.630 4.622 11.218 355 1HG PRO 44 HG2 PRO 44 -5.160 3.162 13.647 356 2HG PRO 44 HG1 PRO 44 -6.506 4.227 13.228 357 1HD PRO 44 HD2 PRO 44 -6.612 1.426 13.500 358 2HD PRO 44 HD1 PRO 44 -7.873 2.463 12.808 359 H ILE 45 HN ILE 45 -4.384 2.991 8.471 360 HA ILE 45 HA ILE 45 -2.579 0.686 8.836 361 HB ILE 45 HB ILE 45 -3.030 2.340 6.345 362 1HG1 ILE 45 HG12 ILE 45 -4.115 -0.120 5.853 363 2HG1 ILE 45 HG11 ILE 45 -4.533 0.095 7.553 364 1HG2 ILE 45 HG21 ILE 45 -1.122 0.311 7.118 365 2HG2 ILE 45 HG22 ILE 45 -1.236 1.196 5.593 366 3HG2 ILE 45 HG23 ILE 45 -2.144 -0.299 5.813 367 1HD1 ILE 45 HD11 ILE 45 -5.049 2.196 5.432 368 2HD1 ILE 45 HD12 ILE 45 -5.647 2.182 7.091 369 3HD1 ILE 45 HD13 ILE 45 -6.248 1.001 5.927 370 H SER 46 HN SER 46 -0.386 0.936 8.898 371 HA SER 46 HA SER 46 0.594 3.708 9.124 372 1HB SER 46 HB2 SER 46 0.990 2.241 11.076 373 2HB SER 46 HB1 SER 46 1.861 1.111 10.043 374 HG SER 46 HG SER 46 3.421 2.391 10.846 375 H LEU 47 HN LEU 47 1.686 4.496 7.439 376 HA LEU 47 HA LEU 47 2.738 2.607 5.448 377 1HB LEU 47 HB2 LEU 47 1.186 4.754 5.044 378 2HB LEU 47 HB1 LEU 47 2.762 5.537 4.952 379 HG LEU 47 HG LEU 47 1.746 3.235 3.271 380 1HD1 LEU 47 HD11 LEU 47 2.673 6.060 2.698 381 2HD1 LEU 47 HD12 LEU 47 1.070 5.379 2.423 382 3HD1 LEU 47 HD13 LEU 47 2.434 4.849 1.438 383 1HD2 LEU 47 HD21 LEU 47 4.106 3.560 2.191 384 2HD2 LEU 47 HD22 LEU 47 3.972 2.579 3.648 385 3HD2 LEU 47 HD23 LEU 47 4.544 4.244 3.757 386 H GLN 48 HN GLN 48 4.841 2.252 5.253 387 HA GLN 48 HA GLN 48 6.734 4.242 6.339 388 1HB GLN 48 HB2 GLN 48 6.433 1.366 6.944 389 2HB GLN 48 HB1 GLN 48 8.083 1.905 6.641 390 1HG GLN 48 HG2 GLN 48 7.713 3.749 8.308 391 2HG GLN 48 HG1 GLN 48 6.146 3.030 8.679 392 1HE2 GLN 48 HE21 GLN 48 9.461 2.954 9.509 393 2HE2 GLN 48 HE22 GLN 48 9.445 1.499 10.385 394 H VAL 49 HN VAL 49 8.105 4.940 4.828 395 HA VAL 49 HA VAL 49 8.382 3.387 2.348 396 HB VAL 49 HB VAL 49 9.383 6.188 2.863 397 1HG1 VAL 49 HG11 VAL 49 8.906 6.093 0.252 398 2HG1 VAL 49 HG12 VAL 49 9.123 4.362 0.511 399 3HG1 VAL 49 HG13 VAL 49 10.421 5.484 0.921 400 1HG2 VAL 49 HG21 VAL 49 7.034 6.358 3.205 401 2HG2 VAL 49 HG22 VAL 49 6.686 5.174 1.946 402 3HG2 VAL 49 HG23 VAL 49 7.265 6.782 1.508 403 H ILE 50 HN ILE 50 10.253 2.488 1.729 404 HA ILE 50 HA ILE 50 12.603 2.967 3.452 405 HB ILE 50 HB ILE 50 12.006 0.432 1.914 406 1HG1 ILE 50 HG12 ILE 50 11.430 1.143 4.807 407 2HG1 ILE 50 HG11 ILE 50 10.236 0.765 3.568 408 1HG2 ILE 50 HG21 ILE 50 14.350 0.757 2.482 409 2HG2 ILE 50 HG22 ILE 50 13.678 -0.473 3.552 410 3HG2 ILE 50 HG23 ILE 50 13.928 1.169 4.143 411 1HD1 ILE 50 HD11 ILE 50 10.463 -1.277 4.706 412 2HD1 ILE 50 HD12 ILE 50 12.203 -1.078 4.908 413 3HD1 ILE 50 HD13 ILE 50 11.539 -1.477 3.325 414 H ASN 51 HN ASN 51 14.292 3.837 2.422 415 HA ASN 51 HA ASN 51 14.145 4.241 -0.425 416 1HB ASN 51 HB2 ASN 51 16.186 5.024 1.664 417 2HB ASN 51 HB1 ASN 51 16.336 5.430 -0.041 418 1HD2 ASN 51 HD21 ASN 51 16.144 7.528 1.803 419 2HD2 ASN 51 HD22 ASN 51 14.631 8.279 1.652 420 H VAL 52 HN VAL 52 14.538 2.410 -1.576 421 HA VAL 52 HA VAL 52 16.247 0.310 -0.854 422 HB VAL 52 HB VAL 52 16.032 -0.453 -3.123 423 1HG1 VAL 52 HG11 VAL 52 13.775 0.612 -1.622 424 2HG1 VAL 52 HG12 VAL 52 13.908 -0.909 -2.506 425 3HG1 VAL 52 HG13 VAL 52 13.437 0.565 -3.353 426 1HG2 VAL 52 HG21 VAL 52 14.941 1.159 -4.806 427 2HG2 VAL 52 HG22 VAL 52 16.631 1.464 -4.402 428 3HG2 VAL 52 HG23 VAL 52 15.359 2.443 -3.672 429 H ALA 53 HN ALA 53 16.986 3.454 -1.885 430 HA ALA 53 HA ALA 53 19.440 2.938 -3.244 431 1HB ALA 53 HB1 ALA 53 19.636 5.232 -3.396 432 2HB ALA 53 HB2 ALA 53 18.967 5.503 -1.786 433 3HB ALA 53 HB3 ALA 53 17.897 5.098 -3.128 434 H ASP 54 HN ASP 54 18.489 3.474 0.094 435 HA ASP 54 HA ASP 54 21.293 3.431 0.920 436 1HB ASP 54 HB2 ASP 54 18.761 4.077 2.425 437 2HB ASP 54 HB1 ASP 54 20.359 4.027 3.167 438 H GLN 55 HN GLN 55 18.373 1.481 1.090 439 HA GLN 55 HA GLN 55 19.984 -0.605 2.417 440 1HB GLN 55 HB2 GLN 55 18.095 -1.208 3.839 441 2HB GLN 55 HB1 GLN 55 18.562 0.471 4.108 442 1HG GLN 55 HG2 GLN 55 16.671 0.472 1.989 443 2HG GLN 55 HG1 GLN 55 16.020 -0.565 3.256 444 1HE2 GLN 55 HE21 GLN 55 15.824 2.541 2.271 445 2HE2 GLN 55 HE22 GLN 55 15.657 3.327 3.766 446 HA PRO 56 HA PRO 56 17.820 -2.433 -1.230 447 1HB PRO 56 HB2 PRO 56 20.380 -3.428 -2.092 448 2HB PRO 56 HB1 PRO 56 19.368 -2.199 -2.871 449 1HG PRO 56 HG2 PRO 56 21.810 -1.723 -1.702 450 2HG PRO 56 HG1 PRO 56 20.562 -0.498 -1.982 451 1HD PRO 56 HD2 PRO 56 21.261 -1.931 0.556 452 2HD PRO 56 HD1 PRO 56 20.724 -0.252 0.318 453 H GLN 57 HN GLN 57 19.638 -3.517 1.401 454 HA GLN 57 HA GLN 57 20.013 -6.253 0.811 455 1HB GLN 57 HB2 GLN 57 21.121 -4.996 2.667 456 2HB GLN 57 HB1 GLN 57 19.590 -5.022 3.541 457 1HG GLN 57 HG2 GLN 57 19.605 -7.533 3.336 458 2HG GLN 57 HG1 GLN 57 21.230 -7.414 2.667 459 1HE2 GLN 57 HE21 GLN 57 21.046 -4.896 4.818 460 2HE2 GLN 57 HE22 GLN 57 21.647 -5.667 6.206 461 H LEU 58 HN LEU 58 17.331 -4.615 2.543 462 HA LEU 58 HA LEU 58 15.956 -7.094 2.959 463 1HB LEU 58 HB2 LEU 58 13.972 -5.341 3.313 464 2HB LEU 58 HB1 LEU 58 15.197 -5.639 4.542 465 HG LEU 58 HG LEU 58 16.464 -3.707 3.824 466 1HD1 LEU 58 HD11 LEU 58 14.550 -3.831 1.530 467 2HD1 LEU 58 HD12 LEU 58 16.290 -3.544 1.529 468 3HD1 LEU 58 HD13 LEU 58 15.187 -2.258 2.013 469 1HD2 LEU 58 HD21 LEU 58 13.660 -2.656 3.769 470 2HD2 LEU 58 HD22 LEU 58 15.048 -2.090 4.701 471 3HD2 LEU 58 HD23 LEU 58 14.191 -3.551 5.193 472 H VAL 59 HN VAL 59 16.216 -4.864 0.353 473 HA VAL 59 HA VAL 59 13.762 -5.337 -0.983 474 HB VAL 59 HB VAL 59 16.487 -4.690 -2.138 475 1HG1 VAL 59 HG11 VAL 59 14.668 -5.578 -3.692 476 2HG1 VAL 59 HG12 VAL 59 15.330 -3.995 -4.098 477 3HG1 VAL 59 HG13 VAL 59 13.764 -4.119 -3.296 478 1HG2 VAL 59 HG21 VAL 59 14.194 -2.956 -1.176 479 2HG2 VAL 59 HG22 VAL 59 15.548 -2.353 -2.132 480 3HG2 VAL 59 HG23 VAL 59 15.828 -3.007 -0.521 481 H GLU 60 HN GLU 60 16.963 -6.912 -1.218 482 HA GLU 60 HA GLU 60 16.095 -8.889 -3.113 483 1HB GLU 60 HB2 GLU 60 18.470 -8.815 -1.229 484 2HB GLU 60 HB1 GLU 60 18.207 -10.069 -2.441 485 1HG GLU 60 HG2 GLU 60 18.156 -8.310 -4.204 486 2HG GLU 60 HG1 GLU 60 18.524 -7.101 -2.973 487 H TYR 61 HN TYR 61 16.205 -8.621 0.373 488 HA TYR 61 HA TYR 61 15.783 -11.276 1.133 489 1HB TYR 61 HB2 TYR 61 16.272 -9.429 2.709 490 2HB TYR 61 HB1 TYR 61 14.668 -8.765 2.406 491 HD1 TYR 61 HD1 TYR 61 16.443 -11.801 3.651 492 HD2 TYR 61 HD2 TYR 61 12.783 -9.557 3.566 493 HE1 TYR 61 HE1 TYR 61 15.489 -13.297 5.385 494 HE2 TYR 61 HE2 TYR 61 11.825 -11.055 5.298 495 HH TYR 61 HH TYR 61 13.581 -12.998 7.219 496 H TYR 62 HN TYR 62 13.523 -8.759 0.144 497 HA TYR 62 HA TYR 62 11.219 -10.518 0.385 498 1HB TYR 62 HB2 TYR 62 11.575 -7.672 -0.566 499 2HB TYR 62 HB1 TYR 62 10.025 -8.499 -0.522 500 HD1 TYR 62 HD1 TYR 62 12.057 -6.302 1.223 501 HD2 TYR 62 HD2 TYR 62 9.635 -9.790 1.857 502 HE1 TYR 62 HE1 TYR 62 11.826 -5.704 3.617 503 HE2 TYR 62 HE2 TYR 62 9.402 -9.194 4.251 504 HH TYR 62 HH TYR 62 9.658 -6.573 5.525 505 H ARG 63 HN ARG 63 13.610 -10.706 -1.633 506 HA ARG 63 HA ARG 63 13.915 -11.344 -3.818 507 1HB ARG 63 HB2 ARG 63 10.946 -11.923 -3.710 508 2HB ARG 63 HB1 ARG 63 12.098 -12.591 -4.865 509 1HG ARG 63 HG2 ARG 63 12.238 -13.008 -1.864 510 2HG ARG 63 HG1 ARG 63 11.550 -14.170 -2.999 511 1HD ARG 63 HD2 ARG 63 14.419 -13.222 -2.842 512 2HD ARG 63 HD1 ARG 63 13.811 -14.856 -2.603 513 HE ARG 63 HE ARG 63 13.695 -13.478 -5.226 514 1HH1 ARG 63 HH11 ARG 63 12.461 -16.268 -4.400 515 2HH1 ARG 63 HH12 ARG 63 13.584 -17.323 -5.191 516 1HH2 ARG 63 HH21 ARG 63 15.934 -14.834 -5.750 517 2HH2 ARG 63 HH22 ARG 63 15.551 -16.511 -5.957 518 H LEU 64 HN LEU 64 12.386 -8.745 -2.825 519 HA LEU 64 HA LEU 64 10.991 -7.673 -5.023 520 1HB LEU 64 HB2 LEU 64 11.191 -6.884 -2.547 521 2HB LEU 64 HB1 LEU 64 12.627 -6.033 -3.096 522 HG LEU 64 HG LEU 64 10.585 -4.616 -3.120 523 1HD1 LEU 64 HD11 LEU 64 11.147 -4.888 -6.000 524 2HD1 LEU 64 HD12 LEU 64 12.576 -4.746 -4.977 525 3HD1 LEU 64 HD13 LEU 64 11.337 -3.495 -4.936 526 1HD2 LEU 64 HD21 LEU 64 9.572 -6.056 -5.517 527 2HD2 LEU 64 HD22 LEU 64 8.684 -5.173 -4.274 528 3HD2 LEU 64 HD23 LEU 64 9.270 -6.805 -3.949 529 H VAL 65 HN VAL 65 11.686 -6.623 -6.854 530 HA VAL 65 HA VAL 65 14.519 -5.904 -7.073 531 HB VAL 65 HB VAL 65 13.435 -7.398 -9.394 532 1HG1 VAL 65 HG11 VAL 65 15.729 -6.335 -9.213 533 2HG1 VAL 65 HG12 VAL 65 15.747 -8.056 -9.597 534 3HG1 VAL 65 HG13 VAL 65 16.101 -7.516 -7.956 535 1HG2 VAL 65 HG21 VAL 65 14.291 -8.706 -6.791 536 2HG2 VAL 65 HG22 VAL 65 14.100 -9.558 -8.323 537 3HG2 VAL 65 HG23 VAL 65 12.700 -8.822 -7.543 538 H VAL 66 HN VAL 66 11.247 -5.327 -7.873 539 HA VAL 66 HA VAL 66 12.045 -3.379 -9.932 540 HB VAL 66 HB VAL 66 9.588 -3.425 -10.498 541 1HG1 VAL 66 HG11 VAL 66 9.803 -5.896 -11.402 542 2HG1 VAL 66 HG12 VAL 66 11.450 -5.754 -10.788 543 3HG1 VAL 66 HG13 VAL 66 10.870 -4.634 -12.020 544 1HG2 VAL 66 HG21 VAL 66 9.025 -4.433 -8.206 545 2HG2 VAL 66 HG22 VAL 66 9.553 -5.972 -8.890 546 3HG2 VAL 66 HG23 VAL 66 8.189 -5.111 -9.606 547 H THR 67 HN THR 67 11.473 -1.266 -9.739 548 HA THR 67 HA THR 67 9.918 -0.466 -7.383 549 HB THR 67 HB THR 67 11.544 1.493 -7.146 550 HG1 THR 67 HG1 THR 67 13.015 1.519 -8.630 551 1HG2 THR 67 HG21 THR 67 11.637 -1.194 -6.171 552 2HG2 THR 67 HG22 THR 67 12.189 0.278 -5.372 553 3HG2 THR 67 HG23 THR 67 13.293 -0.635 -6.400 554 HA PRO 68 HA PRO 68 9.365 1.615 -6.572 555 1HB PRO 68 HB2 PRO 68 6.638 2.493 -6.817 556 2HB PRO 68 HB1 PRO 68 8.056 3.448 -6.360 557 1HG PRO 68 HG2 PRO 68 6.599 3.682 -8.715 558 2HG PRO 68 HG1 PRO 68 8.193 4.376 -8.396 559 1HD PRO 68 HD2 PRO 68 7.459 2.016 -10.025 560 2HD PRO 68 HD1 PRO 68 8.899 3.052 -10.120 561 H ALA 69 HN ALA 69 8.087 0.493 -4.970 562 HA ALA 69 HA ALA 69 6.093 -1.413 -5.925 563 1HB ALA 69 HB1 ALA 69 8.702 -2.247 -4.640 564 2HB ALA 69 HB2 ALA 69 8.118 -2.684 -6.246 565 3HB ALA 69 HB3 ALA 69 7.303 -3.307 -4.812 566 H LEU 70 HN LEU 70 4.815 -2.292 -4.236 567 HA LEU 70 HA LEU 70 5.216 -1.072 -1.578 568 1HB LEU 70 HB2 LEU 70 3.351 -0.027 -3.006 569 2HB LEU 70 HB1 LEU 70 2.495 -1.546 -2.777 570 HG LEU 70 HG LEU 70 3.598 0.069 -0.476 571 1HD1 LEU 70 HD11 LEU 70 1.415 0.724 -2.170 572 2HD1 LEU 70 HD12 LEU 70 1.849 1.474 -0.634 573 3HD1 LEU 70 HD13 LEU 70 0.727 0.114 -0.665 574 1HD2 LEU 70 HD21 LEU 70 3.136 -1.927 0.517 575 2HD2 LEU 70 HD22 LEU 70 2.123 -2.466 -0.822 576 3HD2 LEU 70 HD23 LEU 70 1.460 -1.392 0.407 577 H VAL 71 HN VAL 71 5.134 -2.494 0.095 578 HA VAL 71 HA VAL 71 4.027 -5.166 -0.493 579 HB VAL 71 HB VAL 71 6.508 -4.614 1.135 580 1HG1 VAL 71 HG11 VAL 71 6.704 -7.176 0.567 581 2HG1 VAL 71 HG12 VAL 71 4.958 -7.061 0.347 582 3HG1 VAL 71 HG13 VAL 71 5.679 -6.651 1.903 583 1HG2 VAL 71 HG21 VAL 71 6.060 -5.034 -1.765 584 2HG2 VAL 71 HG22 VAL 71 7.327 -6.029 -1.052 585 3HG2 VAL 71 HG23 VAL 71 7.418 -4.272 -0.938 586 H LYS 72 HN LYS 72 2.570 -5.894 0.879 587 HA LYS 72 HA LYS 72 2.120 -4.474 3.407 588 1HB LYS 72 HB2 LYS 72 0.212 -5.075 1.826 589 2HB LYS 72 HB1 LYS 72 0.491 -6.762 2.261 590 1HG LYS 72 HG2 LYS 72 0.355 -5.849 4.729 591 2HG LYS 72 HG1 LYS 72 -0.501 -4.501 3.978 592 1HD LYS 72 HD2 LYS 72 -1.932 -6.315 2.812 593 2HD LYS 72 HD1 LYS 72 -1.256 -7.420 4.011 594 1HE LYS 72 HE2 LYS 72 -2.285 -4.894 5.135 595 2HE LYS 72 HE1 LYS 72 -3.515 -5.921 4.402 596 1HZ LYS 72 HZ1 LYS 72 -2.238 -6.232 6.870 597 2HZ LYS 72 HZ2 LYS 72 -1.784 -7.540 5.884 598 3HZ LYS 72 HZ3 LYS 72 -3.428 -7.218 6.171 599 H ILE 73 HN ILE 73 2.796 -5.304 5.315 600 HA ILE 73 HA ILE 73 3.990 -7.983 5.236 601 HB ILE 73 HB ILE 73 4.749 -7.105 7.641 602 1HG1 ILE 73 HG12 ILE 73 3.354 -4.933 6.881 603 2HG1 ILE 73 HG11 ILE 73 4.790 -4.820 7.894 604 1HG2 ILE 73 HG21 ILE 73 6.794 -6.206 6.454 605 2HG2 ILE 73 HG22 ILE 73 5.920 -6.409 4.935 606 3HG2 ILE 73 HG23 ILE 73 6.292 -7.815 5.932 607 1HD1 ILE 73 HD11 ILE 73 4.652 -3.288 5.803 608 2HD1 ILE 73 HD12 ILE 73 5.005 -4.753 4.886 609 3HD1 ILE 73 HD13 ILE 73 6.156 -4.165 6.086 610 H GLY 74 HN GLY 74 1.173 -6.408 6.433 611 1HA GLY 74 HA2 GLY 74 -0.323 -8.448 7.163 612 2HA GLY 74 HA1 GLY 74 0.803 -8.445 8.513 613 HA PRO 75 HA PRO 75 -0.058 -8.684 10.492 614 1HB PRO 75 HB2 PRO 75 -2.802 -9.267 11.108 615 2HB PRO 75 HB1 PRO 75 -1.528 -8.718 12.203 616 1HG PRO 75 HG2 PRO 75 -3.729 -7.237 11.083 617 2HG PRO 75 HG1 PRO 75 -2.587 -6.761 12.345 618 1HD PRO 75 HD2 PRO 75 -2.688 -5.725 9.735 619 2HD PRO 75 HD1 PRO 75 -1.352 -5.527 10.890 620 H GLY 76 HN GLY 76 -3.362 -9.274 9.456 621 1HA GLY 76 HA2 GLY 76 -3.850 -11.505 8.529 622 2HA GLY 76 HA1 GLY 76 -3.866 -10.297 7.253 623 H SER 77 HN SER 77 -2.922 -11.040 5.488 624 HA SER 77 HA SER 77 -0.581 -12.819 5.758 625 1HB SER 77 HB2 SER 77 -2.141 -14.039 4.555 626 2HB SER 77 HB1 SER 77 -2.754 -12.628 3.698 627 HG SER 77 HG SER 77 -1.333 -13.041 2.215 628 H ARG 78 HN ARG 78 1.155 -12.568 4.293 629 HA ARG 78 HA ARG 78 1.769 -9.784 3.771 630 1HB ARG 78 HB2 ARG 78 3.472 -11.375 4.654 631 2HB ARG 78 HB1 ARG 78 3.406 -12.245 3.121 632 1HG ARG 78 HG2 ARG 78 3.992 -10.100 1.950 633 2HG ARG 78 HG1 ARG 78 4.222 -9.354 3.531 634 1HD ARG 78 HD2 ARG 78 6.350 -10.090 3.432 635 2HD ARG 78 HD1 ARG 78 5.699 -11.705 3.696 636 HE ARG 78 HE ARG 78 6.842 -10.726 1.270 637 1HH1 ARG 78 HH11 ARG 78 3.706 -11.752 1.510 638 2HH1 ARG 78 HH12 ARG 78 3.886 -13.201 0.577 639 1HH2 ARG 78 HH21 ARG 78 7.347 -13.036 0.495 640 2HH2 ARG 78 HH22 ARG 78 5.947 -13.928 0.004 641 H GLN 79 HN GLN 79 1.929 -8.789 1.825 642 HA GLN 79 HA GLN 79 1.547 -10.362 -0.625 643 1HB GLN 79 HB2 GLN 79 -0.158 -7.978 0.148 644 2HB GLN 79 HB1 GLN 79 -0.176 -8.773 -1.427 645 1HG GLN 79 HG2 GLN 79 -0.756 -10.191 1.187 646 2HG GLN 79 HG1 GLN 79 -2.002 -9.547 0.120 647 1HE2 GLN 79 HE21 GLN 79 -2.157 -10.520 -2.086 648 2HE2 GLN 79 HE22 GLN 79 -1.574 -12.093 -2.350 649 H VAL 80 HN VAL 80 2.426 -9.390 -2.471 650 HA VAL 80 HA VAL 80 4.026 -6.958 -1.936 651 HB VAL 80 HB VAL 80 4.688 -9.274 -3.773 652 1HG1 VAL 80 HG11 VAL 80 6.980 -7.885 -3.505 653 2HG1 VAL 80 HG12 VAL 80 5.830 -6.558 -3.335 654 3HG1 VAL 80 HG13 VAL 80 5.819 -7.552 -4.792 655 1HG2 VAL 80 HG21 VAL 80 5.553 -10.234 -1.924 656 2HG2 VAL 80 HG22 VAL 80 5.101 -8.837 -0.945 657 3HG2 VAL 80 HG23 VAL 80 6.656 -8.865 -1.777 658 H LEU 81 HN LEU 81 3.489 -5.250 -3.112 659 HA LEU 81 HA LEU 81 2.078 -5.677 -5.677 660 1HB LEU 81 HB2 LEU 81 1.921 -3.194 -3.999 661 2HB LEU 81 HB1 LEU 81 0.824 -3.721 -5.269 662 HG LEU 81 HG LEU 81 1.225 -5.254 -2.692 663 1HD1 LEU 81 HD11 LEU 81 -1.251 -4.145 -2.499 664 2HD1 LEU 81 HD12 LEU 81 -0.378 -2.852 -3.320 665 3HD1 LEU 81 HD13 LEU 81 0.193 -3.450 -1.763 666 1HD2 LEU 81 HD21 LEU 81 -1.050 -5.268 -4.694 667 2HD2 LEU 81 HD22 LEU 81 -0.814 -6.375 -3.341 668 3HD2 LEU 81 HD23 LEU 81 0.278 -6.429 -4.723 669 H SER 82 HN SER 82 3.104 -4.903 -7.463 670 HA SER 82 HA SER 82 4.832 -2.588 -7.266 671 1HB SER 82 HB2 SER 82 6.457 -4.224 -6.626 672 2HB SER 82 HB1 SER 82 5.959 -5.309 -7.919 673 HG SER 82 HG SER 82 6.596 -2.814 -8.805 674 H GLY 83 HN GLY 83 5.869 -2.109 -9.412 675 1HA GLY 83 HA2 GLY 83 5.827 -2.142 -11.775 676 2HA GLY 83 HA1 GLY 83 4.399 -3.168 -11.715 677 H ILE 84 HN ILE 84 5.126 -0.037 -10.221 678 HA ILE 84 HA ILE 84 3.825 1.852 -10.022 679 HB ILE 84 HB ILE 84 3.578 3.025 -12.078 680 1HG1 ILE 84 HG12 ILE 84 3.848 0.372 -13.527 681 2HG1 ILE 84 HG11 ILE 84 2.308 1.188 -13.257 682 1HG2 ILE 84 HG21 ILE 84 5.881 2.754 -11.548 683 2HG2 ILE 84 HG22 ILE 84 5.756 2.359 -13.262 684 3HG2 ILE 84 HG23 ILE 84 5.879 1.068 -12.067 685 1HD1 ILE 84 HD11 ILE 84 3.006 3.090 -14.555 686 2HD1 ILE 84 HD12 ILE 84 3.372 1.651 -15.508 687 3HD1 ILE 84 HD13 ILE 84 4.661 2.492 -14.646 688 H ASP 85 HN ASP 85 2.354 -0.962 -10.508 689 HA ASP 85 HA ASP 85 -0.311 0.137 -11.087 690 1HB ASP 85 HB2 ASP 85 -1.034 -2.166 -11.307 691 2HB ASP 85 HB1 ASP 85 0.429 -1.940 -12.263 692 H LEU 86 HN LEU 86 1.513 0.201 -8.559 693 HA LEU 86 HA LEU 86 0.499 -1.191 -6.437 694 1HB LEU 86 HB2 LEU 86 1.281 1.733 -6.457 695 2HB LEU 86 HB1 LEU 86 1.235 0.679 -5.045 696 HG LEU 86 HG LEU 86 2.979 0.256 -7.488 697 1HD1 LEU 86 HD11 LEU 86 4.217 1.858 -6.429 698 2HD1 LEU 86 HD12 LEU 86 4.645 0.536 -5.342 699 3HD1 LEU 86 HD13 LEU 86 3.353 1.654 -4.906 700 1HD2 LEU 86 HD21 LEU 86 3.966 -1.331 -5.515 701 2HD2 LEU 86 HD22 LEU 86 2.808 -1.893 -6.719 702 3HD2 LEU 86 HD23 LEU 86 2.250 -1.376 -5.128 703 H THR 87 HN THR 87 -0.773 1.871 -7.748 704 HA THR 87 HA THR 87 -2.870 2.090 -5.856 705 HB THR 87 HB THR 87 -3.781 3.800 -7.333 706 HG1 THR 87 HG1 THR 87 -2.745 4.078 -9.387 707 1HG2 THR 87 HG21 THR 87 -1.674 4.235 -6.005 708 2HG2 THR 87 HG22 THR 87 -1.874 5.269 -7.421 709 3HG2 THR 87 HG23 THR 87 -0.759 3.903 -7.476 710 H ASP 88 HN ASP 88 -2.657 0.546 -9.028 711 HA ASP 88 HA ASP 88 -5.455 -0.032 -9.202 712 1HB ASP 88 HB2 ASP 88 -3.051 -1.232 -10.594 713 2HB ASP 88 HB1 ASP 88 -4.722 -1.610 -10.995 714 H GLN 89 HN GLN 89 -2.572 -1.894 -8.282 715 HA GLN 89 HA GLN 89 -3.994 -4.279 -7.621 716 1HB GLN 89 HB2 GLN 89 -1.390 -3.727 -8.029 717 2HB GLN 89 HB1 GLN 89 -1.415 -3.679 -6.265 718 1HG GLN 89 HG2 GLN 89 -2.475 -5.912 -6.224 719 2HG GLN 89 HG1 GLN 89 -2.427 -5.962 -7.985 720 1HE2 GLN 89 HE21 GLN 89 0.316 -4.352 -7.438 721 2HE2 GLN 89 HE22 GLN 89 1.409 -5.634 -7.229 722 H LEU 90 HN LEU 90 -2.775 -1.524 -5.707 723 HA LEU 90 HA LEU 90 -3.459 -2.468 -3.165 724 1HB LEU 90 HB2 LEU 90 -2.100 -0.465 -3.511 725 2HB LEU 90 HB1 LEU 90 -3.491 0.375 -4.197 726 HG LEU 90 HG LEU 90 -4.706 -0.037 -2.021 727 1HD1 LEU 90 HD11 LEU 90 -2.840 -0.389 -0.133 728 2HD1 LEU 90 HD12 LEU 90 -2.062 -1.288 -1.436 729 3HD1 LEU 90 HD13 LEU 90 -3.672 -1.752 -0.884 730 1HD2 LEU 90 HD21 LEU 90 -3.970 1.986 -1.286 731 2HD2 LEU 90 HD22 LEU 90 -2.968 1.957 -2.737 732 3HD2 LEU 90 HD23 LEU 90 -2.294 1.445 -1.190 733 H ALA 91 HN ALA 91 -5.392 -0.524 -5.438 734 HA ALA 91 HA ALA 91 -7.672 -0.234 -3.834 735 1HB ALA 91 HB1 ALA 91 -6.975 0.685 -6.268 736 2HB ALA 91 HB2 ALA 91 -8.635 0.704 -5.675 737 3HB ALA 91 HB3 ALA 91 -8.097 -0.589 -6.746 738 H ASN 92 HN ASN 92 -6.703 -2.828 -6.025 739 HA ASN 92 HA ASN 92 -9.165 -4.293 -5.704 740 1HB ASN 92 HB2 ASN 92 -6.490 -4.967 -6.933 741 2HB ASN 92 HB1 ASN 92 -7.857 -6.071 -6.913 742 1HD2 ASN 92 HD21 ASN 92 -9.861 -3.881 -7.268 743 2HD2 ASN 92 HD22 ASN 92 -9.710 -3.376 -8.881 744 H GLN 93 HN GLN 93 -5.896 -4.401 -4.415 745 HA GLN 93 HA GLN 93 -6.292 -6.828 -2.942 746 1HB GLN 93 HB2 GLN 93 -4.130 -4.722 -2.876 747 2HB GLN 93 HB1 GLN 93 -4.087 -6.204 -1.926 748 1HG GLN 93 HG2 GLN 93 -4.376 -6.132 -4.938 749 2HG GLN 93 HG1 GLN 93 -2.849 -6.386 -4.097 750 1HE2 GLN 93 HE21 GLN 93 -5.126 -8.111 -5.665 751 2HE2 GLN 93 HE22 GLN 93 -5.083 -9.548 -4.771 752 H LEU 94 HN LEU 94 -6.503 -3.391 -2.244 753 HA LEU 94 HA LEU 94 -6.429 -3.412 0.516 754 1HB LEU 94 HB2 LEU 94 -6.479 -1.305 -0.481 755 2HB LEU 94 HB1 LEU 94 -7.899 -1.682 -1.449 756 HG LEU 94 HG LEU 94 -9.313 -1.694 0.529 757 1HD1 LEU 94 HD11 LEU 94 -8.171 -2.498 2.353 758 2HD1 LEU 94 HD12 LEU 94 -7.942 -0.778 2.666 759 3HD1 LEU 94 HD13 LEU 94 -6.664 -1.710 1.886 760 1HD2 LEU 94 HD21 LEU 94 -7.458 0.709 0.616 761 2HD2 LEU 94 HD22 LEU 94 -9.131 0.657 1.172 762 3HD2 LEU 94 HD23 LEU 94 -8.768 0.500 -0.547 763 HA PRO 95 HA PRO 95 -11.334 -4.029 0.563 764 1HB PRO 95 HB2 PRO 95 -11.809 -5.873 -1.593 765 2HB PRO 95 HB1 PRO 95 -12.507 -4.264 -1.361 766 1HG PRO 95 HG2 PRO 95 -10.326 -5.112 -3.100 767 2HG PRO 95 HG1 PRO 95 -11.315 -3.646 -3.161 768 1HD PRO 95 HD2 PRO 95 -8.678 -3.646 -2.423 769 2HD PRO 95 HD1 PRO 95 -9.857 -2.446 -1.852 770 H GLN 96 HN GLN 96 -9.328 -6.556 -0.951 771 HA GLN 96 HA GLN 96 -10.372 -8.756 0.465 772 1HB GLN 96 HB2 GLN 96 -7.618 -8.348 -0.729 773 2HB GLN 96 HB1 GLN 96 -8.290 -9.900 -0.226 774 1HG GLN 96 HG2 GLN 96 -10.123 -9.650 -1.837 775 2HG GLN 96 HG1 GLN 96 -9.503 -8.071 -2.315 776 1HE2 GLN 96 HE21 GLN 96 -9.720 -9.955 -4.335 777 2HE2 GLN 96 HE22 GLN 96 -8.183 -10.529 -4.773 778 H TRP 97 HN TRP 97 -7.831 -6.452 1.244 779 HA TRP 97 HA TRP 97 -6.696 -7.854 3.424 780 1HB TRP 97 HB2 TRP 97 -6.856 -4.869 2.955 781 2HB TRP 97 HB1 TRP 97 -5.772 -5.678 4.084 782 HD1 TRP 97 HD1 TRP 97 -5.728 -8.046 1.479 783 HE1 TRP 97 HE1 TRP 97 -3.838 -7.637 -0.233 784 HE3 TRP 97 HE3 TRP 97 -4.558 -3.210 2.609 785 HZ2 TRP 97 HZ2 TRP 97 -2.070 -5.530 -1.012 786 HZ3 TRP 97 HZ3 TRP 97 -2.770 -2.025 1.370 787 HH2 TRP 97 HH2 TRP 97 -1.528 -3.176 -0.438 788 H LEU 98 HN LEU 98 -9.337 -5.484 3.242 789 HA LEU 98 HA LEU 98 -9.775 -5.251 6.023 790 1HB LEU 98 HB2 LEU 98 -11.750 -4.974 3.742 791 2HB LEU 98 HB1 LEU 98 -11.975 -4.375 5.382 792 HG LEU 98 HG LEU 98 -9.768 -3.521 3.491 793 1HD1 LEU 98 HD11 LEU 98 -12.376 -2.766 3.371 794 2HD1 LEU 98 HD12 LEU 98 -11.039 -1.701 2.940 795 3HD1 LEU 98 HD13 LEU 98 -11.766 -1.599 4.544 796 1HD2 LEU 98 HD21 LEU 98 -9.749 -1.686 5.447 797 2HD2 LEU 98 HD22 LEU 98 -8.792 -3.163 5.551 798 3HD2 LEU 98 HD23 LEU 98 -10.344 -3.056 6.383 799 H VAL 99 HN VAL 99 -10.873 -7.500 3.581 800 HA VAL 99 HA VAL 99 -12.879 -8.814 5.065 801 HB VAL 99 HB VAL 99 -11.135 -9.698 2.764 802 1HG1 VAL 99 HG11 VAL 99 -12.852 -11.513 2.494 803 2HG1 VAL 99 HG12 VAL 99 -13.483 -11.085 4.086 804 3HG1 VAL 99 HG13 VAL 99 -11.837 -11.701 3.925 805 1HG2 VAL 99 HG21 VAL 99 -13.035 -9.168 1.420 806 2HG2 VAL 99 HG22 VAL 99 -12.859 -7.813 2.535 807 3HG2 VAL 99 HG23 VAL 99 -14.088 -9.044 2.829 808 H GLN 100 HN GLN 100 -9.420 -9.501 4.664 809 HA GLN 100 HA GLN 100 -7.987 -10.877 5.814 810 1HB GLN 100 HB2 GLN 100 -9.930 -10.326 8.069 811 2HB GLN 100 HB1 GLN 100 -8.300 -10.975 8.251 812 1HG GLN 100 HG2 GLN 100 -7.436 -8.910 7.089 813 2HG GLN 100 HG1 GLN 100 -9.072 -8.257 7.164 814 1HE2 GLN 100 HE21 GLN 100 -6.304 -7.743 8.673 815 2HE2 GLN 100 HE22 GLN 100 -6.818 -7.566 10.282 816 H GLN 101 HN GLN 101 -9.607 -12.337 4.238 817 HA GLN 101 HA GLN 101 -11.333 -14.215 5.089 818 1HB GLN 101 HB2 GLN 101 -8.883 -14.773 3.400 819 2HB GLN 101 HB1 GLN 101 -10.313 -15.800 3.495 820 1HG GLN 101 HG2 GLN 101 -11.711 -13.983 2.633 821 2HG GLN 101 HG1 GLN 101 -10.317 -12.904 2.596 822 1HE2 GLN 101 HE21 GLN 101 -11.616 -13.302 0.180 823 2HE2 GLN 101 HE22 GLN 101 -10.687 -14.298 -0.831 824 H GLU 102 HN GLU 102 -11.008 -16.528 5.707 825 HA GLU 102 HA GLU 102 -9.745 -16.744 8.202 826 1HB GLU 102 HB2 GLU 102 -10.623 -18.908 6.279 827 2HB GLU 102 HB1 GLU 102 -10.176 -19.181 7.963 828 1HG GLU 102 HG2 GLU 102 -11.965 -17.642 8.688 829 2HG GLU 102 HG1 GLU 102 -12.417 -17.375 7.006 830 H GLY 103 HN GLY 103 -8.621 -17.593 4.959 831 1HA GLY 103 HA2 GLY 103 -5.961 -17.246 5.273 832 2HA GLY 103 HA1 GLY 103 -6.203 -18.848 5.957 833 H ILE 104 HN ILE 104 -4.568 -18.879 3.942 834 HA ILE 104 HA ILE 104 -6.134 -19.619 1.547 835 HB ILE 104 HB ILE 104 -3.225 -18.811 1.769 836 1HG1 ILE 104 HG12 ILE 104 -4.590 -17.049 0.100 837 2HG1 ILE 104 HG11 ILE 104 -5.723 -17.328 1.422 838 1HG2 ILE 104 HG21 ILE 104 -3.578 -20.409 -0.041 839 2HG2 ILE 104 HG22 ILE 104 -3.358 -18.798 -0.726 840 3HG2 ILE 104 HG23 ILE 104 -4.974 -19.495 -0.613 841 1HD1 ILE 104 HD11 ILE 104 -2.844 -16.417 1.675 842 2HD1 ILE 104 HD12 ILE 104 -3.880 -16.830 3.041 843 3HD1 ILE 104 HD13 ILE 104 -4.284 -15.457 2.010 844 H PHE 105 HN PHE 105 -6.032 -21.672 0.801 845 HA PHE 105 HA PHE 105 -5.136 -23.775 2.398 846 1HB PHE 105 HB2 PHE 105 -5.514 -25.209 0.475 847 2HB PHE 105 HB1 PHE 105 -6.787 -23.990 0.542 848 HD1 PHE 105 HD1 PHE 105 -6.773 -22.064 -1.015 849 HD2 PHE 105 HD2 PHE 105 -3.865 -25.212 -1.293 850 HE1 PHE 105 HE1 PHE 105 -6.163 -21.298 -3.292 851 HE2 PHE 105 HE2 PHE 105 -3.254 -24.447 -3.572 852 HZ PHE 105 HZ PHE 105 -4.403 -22.490 -4.571 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -8.539 -19.580 30.704 2 2H GLY 1 HT2 GLY 1 -8.608 -21.217 31.152 3 3H GLY 1 HT3 GLY 1 -7.477 -20.181 31.883 4 1HA GLY 1 HA2 GLY 1 -10.354 -19.592 32.095 5 2HA GLY 1 HA1 GLY 1 -9.618 -20.789 33.162 6 H SER 2 HN SER 2 -8.949 -19.982 35.051 7 HA SER 2 HA SER 2 -8.804 -17.205 35.600 8 1HB SER 2 HB2 SER 2 -8.125 -17.830 37.785 9 2HB SER 2 HB1 SER 2 -9.200 -19.120 37.252 10 HG SER 2 HG SER 2 -6.612 -19.521 36.500 11 H SER 3 HN SER 3 -6.861 -16.066 36.407 12 HA SER 3 HA SER 3 -4.702 -15.302 36.176 13 1HB SER 3 HB2 SER 3 -4.242 -17.787 36.774 14 2HB SER 3 HB1 SER 3 -3.899 -17.977 35.057 15 HG SER 3 HG SER 3 -2.750 -15.787 36.314 16 H LEU 4 HN LEU 4 -6.725 -16.071 33.767 17 HA LEU 4 HA LEU 4 -4.846 -15.517 31.572 18 1HB LEU 4 HB2 LEU 4 -6.432 -17.426 31.344 19 2HB LEU 4 HB1 LEU 4 -7.769 -16.276 31.409 20 HG LEU 4 HG LEU 4 -6.772 -15.079 29.451 21 1HD1 LEU 4 HD11 LEU 4 -4.520 -15.556 29.324 22 2HD1 LEU 4 HD12 LEU 4 -5.116 -16.779 28.203 23 3HD1 LEU 4 HD13 LEU 4 -4.733 -17.219 29.867 24 1HD2 LEU 4 HD21 LEU 4 -7.649 -17.949 29.335 25 2HD2 LEU 4 HD22 LEU 4 -7.134 -17.151 27.848 26 3HD2 LEU 4 HD23 LEU 4 -8.489 -16.502 28.773 27 H SER 5 HN SER 5 -4.833 -13.661 30.459 28 HA SER 5 HA SER 5 -6.625 -11.518 31.374 29 1HB SER 5 HB2 SER 5 -3.858 -11.652 30.553 30 2HB SER 5 HB1 SER 5 -4.729 -10.474 29.576 31 HG SER 5 HG SER 5 -5.143 -9.308 31.329 32 HA PRO 6 HA PRO 6 -9.170 -11.237 27.821 33 1HB PRO 6 HB2 PRO 6 -8.489 -8.531 27.133 34 2HB PRO 6 HB1 PRO 6 -9.926 -9.108 27.988 35 1HG PRO 6 HG2 PRO 6 -7.530 -7.842 29.041 36 2HG PRO 6 HG1 PRO 6 -9.108 -8.076 29.802 37 1HD PRO 6 HD2 PRO 6 -6.820 -9.432 30.539 38 2HD PRO 6 HD1 PRO 6 -8.468 -10.035 30.816 39 H GLN 7 HN GLN 7 -9.100 -11.129 25.500 40 HA GLN 7 HA GLN 7 -6.551 -11.803 24.388 41 1HB GLN 7 HB2 GLN 7 -9.179 -11.189 23.009 42 2HB GLN 7 HB1 GLN 7 -7.771 -11.937 22.252 43 1HG GLN 7 HG2 GLN 7 -7.899 -13.786 23.920 44 2HG GLN 7 HG1 GLN 7 -9.367 -13.062 24.571 45 1HE2 GLN 7 HE21 GLN 7 -9.510 -15.663 23.529 46 2HE2 GLN 7 HE22 GLN 7 -10.378 -15.643 22.071 47 H ALA 8 HN ALA 8 -5.175 -10.590 23.176 48 HA ALA 8 HA ALA 8 -5.078 -7.815 23.535 49 1HB ALA 8 HB1 ALA 8 -3.063 -7.992 22.547 50 2HB ALA 8 HB2 ALA 8 -3.741 -8.751 21.107 51 3HB ALA 8 HB3 ALA 8 -3.372 -9.728 22.528 52 H LEU 9 HN LEU 9 -5.376 -6.084 22.086 53 HA LEU 9 HA LEU 9 -7.665 -6.417 20.340 54 1HB LEU 9 HB2 LEU 9 -7.214 -3.876 19.992 55 2HB LEU 9 HB1 LEU 9 -7.829 -4.433 21.545 56 HG LEU 9 HG LEU 9 -5.866 -2.782 21.608 57 1HD1 LEU 9 HD11 LEU 9 -5.712 -3.577 23.700 58 2HD1 LEU 9 HD12 LEU 9 -4.726 -4.922 23.128 59 3HD1 LEU 9 HD13 LEU 9 -6.482 -5.078 23.186 60 1HD2 LEU 9 HD21 LEU 9 -4.236 -5.251 20.973 61 2HD2 LEU 9 HD22 LEU 9 -3.668 -3.595 21.161 62 3HD2 LEU 9 HD23 LEU 9 -4.628 -4.038 19.752 63 H ALA 10 HN ALA 10 -7.681 -5.545 18.130 64 HA ALA 10 HA ALA 10 -5.584 -6.649 16.571 65 1HB ALA 10 HB1 ALA 10 -7.383 -4.561 15.431 66 2HB ALA 10 HB2 ALA 10 -8.103 -6.072 15.990 67 3HB ALA 10 HB3 ALA 10 -6.860 -6.096 14.738 68 H GLN 11 HN GLN 11 -3.789 -5.779 15.729 69 HA GLN 11 HA GLN 11 -3.050 -3.085 16.583 70 1HB GLN 11 HB2 GLN 11 -1.324 -5.036 15.065 71 2HB GLN 11 HB1 GLN 11 -0.813 -3.711 16.108 72 1HG GLN 11 HG2 GLN 11 -0.823 -5.077 17.889 73 2HG GLN 11 HG1 GLN 11 -2.528 -5.442 17.618 74 1HE2 GLN 11 HE21 GLN 11 -0.075 -6.219 15.184 75 2HE2 GLN 11 HE22 GLN 11 -0.167 -7.902 15.382 76 HA PRO 12 HA PRO 12 -3.792 -0.963 12.816 77 1HB PRO 12 HB2 PRO 12 -1.141 0.133 12.594 78 2HB PRO 12 HB1 PRO 12 -2.612 0.937 13.161 79 1HG PRO 12 HG2 PRO 12 -0.397 -0.162 14.693 80 2HG PRO 12 HG1 PRO 12 -1.664 0.965 15.191 81 1HD PRO 12 HD2 PRO 12 -1.503 -1.649 16.046 82 2HD PRO 12 HD1 PRO 12 -3.010 -0.711 16.003 83 H LEU 13 HN LEU 13 -3.153 -0.942 10.551 84 HA LEU 13 HA LEU 13 -1.993 -3.446 9.717 85 1HB LEU 13 HB2 LEU 13 -3.966 -2.216 8.633 86 2HB LEU 13 HB1 LEU 13 -2.762 -1.132 7.942 87 HG LEU 13 HG LEU 13 -2.696 -4.141 7.612 88 1HD1 LEU 13 HD11 LEU 13 -3.262 -3.090 5.151 89 2HD1 LEU 13 HD12 LEU 13 -4.173 -2.005 6.206 90 3HD1 LEU 13 HD13 LEU 13 -4.480 -3.743 6.249 91 1HD2 LEU 13 HD21 LEU 13 -0.560 -3.543 7.046 92 2HD2 LEU 13 HD22 LEU 13 -0.994 -1.852 6.792 93 3HD2 LEU 13 HD23 LEU 13 -1.320 -3.046 5.536 94 H LEU 14 HN LEU 14 0.067 -3.798 9.042 95 HA LEU 14 HA LEU 14 1.866 -1.489 8.996 96 1HB LEU 14 HB2 LEU 14 2.475 -4.454 8.943 97 2HB LEU 14 HB1 LEU 14 3.640 -3.152 9.147 98 HG LEU 14 HG LEU 14 1.423 -3.954 11.033 99 1HD1 LEU 14 HD11 LEU 14 3.940 -3.511 12.287 100 2HD1 LEU 14 HD12 LEU 14 4.233 -4.498 10.854 101 3HD1 LEU 14 HD13 LEU 14 3.086 -5.040 12.081 102 1HD2 LEU 14 HD21 LEU 14 3.029 -1.409 10.847 103 2HD2 LEU 14 HD22 LEU 14 2.427 -1.979 12.403 104 3HD2 LEU 14 HD23 LEU 14 1.293 -1.600 11.103 105 H LEU 15 HN LEU 15 2.135 -0.550 7.128 106 HA LEU 15 HA LEU 15 2.324 -2.205 4.694 107 1HB LEU 15 HB2 LEU 15 0.125 -0.954 5.013 108 2HB LEU 15 HB1 LEU 15 1.049 0.536 4.868 109 HG LEU 15 HG LEU 15 -0.007 -0.193 2.728 110 1HD1 LEU 15 HD11 LEU 15 1.733 0.681 1.550 111 2HD1 LEU 15 HD12 LEU 15 2.896 -0.469 2.210 112 3HD1 LEU 15 HD13 LEU 15 2.410 0.938 3.155 113 1HD2 LEU 15 HD21 LEU 15 0.392 -2.244 1.775 114 2HD2 LEU 15 HD22 LEU 15 0.676 -2.708 3.445 115 3HD2 LEU 15 HD23 LEU 15 2.042 -2.327 2.395 116 H GLN 16 HN GLN 16 4.096 -1.802 3.448 117 HA GLN 16 HA GLN 16 5.604 0.676 4.024 118 1HB GLN 16 HB2 GLN 16 6.583 -2.152 3.836 119 2HB GLN 16 HB1 GLN 16 7.657 -0.806 3.446 120 1HG GLN 16 HG2 GLN 16 7.344 0.171 5.625 121 2HG GLN 16 HG1 GLN 16 6.081 -0.997 6.024 122 1HE2 GLN 16 HE21 GLN 16 8.232 -0.872 7.767 123 2HE2 GLN 16 HE22 GLN 16 9.227 -2.233 7.574 124 H LEU 17 HN LEU 17 6.812 1.570 2.360 125 HA LEU 17 HA LEU 17 6.225 0.561 -0.346 126 1HB LEU 17 HB2 LEU 17 4.795 2.519 0.184 127 2HB LEU 17 HB1 LEU 17 6.248 3.462 0.516 128 HG LEU 17 HG LEU 17 7.017 2.907 -1.840 129 1HD1 LEU 17 HD11 LEU 17 4.201 1.817 -1.907 130 2HD1 LEU 17 HD12 LEU 17 5.691 1.017 -2.411 131 3HD1 LEU 17 HD13 LEU 17 5.031 2.338 -3.373 132 1HD2 LEU 17 HD21 LEU 17 6.266 5.076 -1.803 133 2HD2 LEU 17 HD22 LEU 17 4.727 4.638 -1.059 134 3HD2 LEU 17 HD23 LEU 17 4.970 4.399 -2.790 135 H PHE 18 HN PHE 18 8.036 0.193 -1.494 136 HA PHE 18 HA PHE 18 10.552 1.330 -0.491 137 1HB PHE 18 HB2 PHE 18 9.931 -0.956 -2.361 138 2HB PHE 18 HB1 PHE 18 11.567 -0.342 -2.114 139 HD1 PHE 18 HD1 PHE 18 8.579 -1.216 -0.021 140 HD2 PHE 18 HD2 PHE 18 12.840 -1.434 -0.496 141 HE1 PHE 18 HE1 PHE 18 8.745 -2.490 2.095 142 HE2 PHE 18 HE2 PHE 18 13.022 -2.723 1.617 143 HZ PHE 18 HZ PHE 18 10.951 -3.231 2.924 144 H VAL 19 HN VAL 19 11.370 3.053 -1.403 145 HA VAL 19 HA VAL 19 10.892 3.522 -4.284 146 HB VAL 19 HB VAL 19 10.379 5.827 -3.862 147 1HG1 VAL 19 HG11 VAL 19 8.881 4.342 -1.716 148 2HG1 VAL 19 HG12 VAL 19 8.627 3.988 -3.424 149 3HG1 VAL 19 HG13 VAL 19 8.285 5.600 -2.796 150 1HG2 VAL 19 HG21 VAL 19 11.994 6.107 -1.959 151 2HG2 VAL 19 HG22 VAL 19 10.859 5.241 -0.927 152 3HG2 VAL 19 HG23 VAL 19 10.408 6.798 -1.620 153 H ASP 20 HN ASP 20 12.401 5.299 -5.128 154 HA ASP 20 HA ASP 20 14.968 5.362 -3.692 155 1HB ASP 20 HB2 ASP 20 16.046 4.961 -6.020 156 2HB ASP 20 HB1 ASP 20 15.439 3.577 -5.114 157 H THR 21 HN THR 21 13.943 7.558 -3.384 158 HA THR 21 HA THR 21 13.898 9.811 -3.776 159 HB THR 21 HB THR 21 15.819 10.737 -4.970 160 HG1 THR 21 HG1 THR 21 17.020 8.393 -5.542 161 1HG2 THR 21 HG21 THR 21 17.218 8.522 -3.695 162 2HG2 THR 21 HG22 THR 21 15.865 9.092 -2.718 163 3HG2 THR 21 HG23 THR 21 17.131 10.217 -3.213 164 H ARG 22 HN ARG 22 13.044 7.719 -6.221 165 HA ARG 22 HA ARG 22 12.753 9.607 -8.345 166 1HB ARG 22 HB2 ARG 22 11.799 7.891 -9.612 167 2HB ARG 22 HB1 ARG 22 12.938 7.061 -8.558 168 1HG ARG 22 HG2 ARG 22 9.969 7.332 -8.019 169 2HG ARG 22 HG1 ARG 22 10.744 5.903 -8.687 170 1HD ARG 22 HD2 ARG 22 10.844 5.275 -6.504 171 2HD ARG 22 HD1 ARG 22 12.290 6.261 -6.506 172 HE ARG 22 HE ARG 22 9.637 7.217 -5.590 173 1HH1 ARG 22 HH21 ARG 22 12.078 6.262 -3.827 174 2HH1 ARG 22 HH22 ARG 22 12.626 7.795 -3.242 175 1HH2 ARG 22 HH11 ARG 22 10.748 9.631 -5.492 176 2HH2 ARG 22 HH12 ARG 22 11.873 9.698 -4.178 177 HA PRO 23 HA PRO 23 9.161 11.687 -6.724 178 1HB PRO 23 HB2 PRO 23 8.379 12.576 -9.334 179 2HB PRO 23 HB1 PRO 23 9.180 13.502 -8.059 180 1HG PRO 23 HG2 PRO 23 10.274 12.481 -10.491 181 2HG PRO 23 HG1 PRO 23 11.047 13.497 -9.268 182 1HD PRO 23 HD2 PRO 23 11.577 10.751 -9.807 183 2HD PRO 23 HD1 PRO 23 12.237 11.734 -8.485 184 H LEU 24 HN LEU 24 9.041 9.511 -9.478 185 HA LEU 24 HA LEU 24 6.300 9.328 -9.914 186 1HB LEU 24 HB2 LEU 24 8.019 8.198 -11.295 187 2HB LEU 24 HB1 LEU 24 8.321 7.069 -9.974 188 HG LEU 24 HG LEU 24 5.835 6.504 -10.061 189 1HD1 LEU 24 HD11 LEU 24 5.108 6.986 -12.615 190 2HD1 LEU 24 HD12 LEU 24 6.096 8.416 -12.325 191 3HD1 LEU 24 HD13 LEU 24 4.709 8.078 -11.291 192 1HD2 LEU 24 HD21 LEU 24 6.279 4.772 -11.521 193 2HD2 LEU 24 HD22 LEU 24 7.926 5.347 -11.258 194 3HD2 LEU 24 HD23 LEU 24 7.045 5.830 -12.708 195 H SER 25 HN SER 25 8.309 7.594 -7.528 196 HA SER 25 HA SER 25 6.152 6.077 -6.439 197 1HB SER 25 HB2 SER 25 7.660 5.313 -4.864 198 2HB SER 25 HB1 SER 25 8.758 5.798 -6.151 199 HG SER 25 HG SER 25 7.940 7.508 -4.041 200 H GLN 26 HN GLN 26 7.649 9.185 -5.664 201 HA GLN 26 HA GLN 26 6.168 9.747 -3.314 202 1HB GLN 26 HB2 GLN 26 7.339 11.613 -5.406 203 2HB GLN 26 HB1 GLN 26 6.719 12.128 -3.837 204 1HG GLN 26 HG2 GLN 26 8.974 10.144 -4.245 205 2HG GLN 26 HG1 GLN 26 9.187 11.840 -3.815 206 1HE2 GLN 26 HE21 GLN 26 9.806 9.300 -2.237 207 2HE2 GLN 26 HE22 GLN 26 8.996 9.513 -0.762 208 H HIS 27 HN HIS 27 5.612 9.991 -6.713 209 HA HIS 27 HA HIS 27 3.223 11.520 -6.755 210 1HB HIS 27 HB2 HIS 27 4.922 10.563 -8.616 211 2HB HIS 27 HB1 HIS 27 3.682 9.318 -8.707 212 HD1 HIS 27 HD1 HIS 27 1.207 11.192 -8.191 213 HD2 HIS 27 HD2 HIS 27 4.277 11.922 -10.915 214 HE1 HIS 27 HE1 HIS 27 0.244 12.746 -9.946 215 H ILE 28 HN ILE 28 3.864 8.049 -6.980 216 HA ILE 28 HA ILE 28 1.178 7.192 -6.765 217 HB ILE 28 HB ILE 28 3.780 5.741 -6.215 218 1HG1 ILE 28 HG12 ILE 28 1.949 5.726 -8.637 219 2HG1 ILE 28 HG11 ILE 28 3.435 6.668 -8.524 220 1HG2 ILE 28 HG21 ILE 28 1.838 3.915 -7.021 221 2HG2 ILE 28 HG22 ILE 28 0.972 4.966 -5.901 222 3HG2 ILE 28 HG23 ILE 28 2.430 4.126 -5.373 223 1HD1 ILE 28 HD11 ILE 28 4.253 4.137 -7.758 224 2HD1 ILE 28 HD12 ILE 28 4.467 4.837 -9.362 225 3HD1 ILE 28 HD13 ILE 28 3.078 3.802 -9.029 226 H VAL 29 HN VAL 29 3.667 7.951 -4.407 227 HA VAL 29 HA VAL 29 2.589 6.699 -2.151 228 HB VAL 29 HB VAL 29 4.168 9.253 -2.464 229 1HG1 VAL 29 HG11 VAL 29 4.488 9.050 0.047 230 2HG1 VAL 29 HG12 VAL 29 3.153 7.897 0.053 231 3HG1 VAL 29 HG13 VAL 29 2.876 9.565 -0.451 232 1HG2 VAL 29 HG21 VAL 29 5.995 7.918 -2.128 233 2HG2 VAL 29 HG22 VAL 29 4.914 6.636 -2.676 234 3HG2 VAL 29 HG23 VAL 29 5.158 6.907 -0.951 235 H GLN 30 HN GLN 30 1.906 9.887 -3.560 236 HA GLN 30 HA GLN 30 0.025 10.714 -1.621 237 1HB GLN 30 HB2 GLN 30 0.090 11.353 -4.586 238 2HB GLN 30 HB1 GLN 30 -0.848 12.220 -3.374 239 1HG GLN 30 HG2 GLN 30 2.156 12.066 -3.627 240 2HG GLN 30 HG1 GLN 30 1.129 13.495 -3.703 241 1HE2 GLN 30 HE21 GLN 30 0.609 14.539 -1.737 242 2HE2 GLN 30 HE22 GLN 30 1.089 13.962 -0.215 243 H ARG 31 HN ARG 31 -0.276 8.893 -4.646 244 HA ARG 31 HA ARG 31 -3.093 8.598 -4.562 245 1HB ARG 31 HB2 ARG 31 -0.989 6.823 -5.821 246 2HB ARG 31 HB1 ARG 31 -2.724 6.715 -6.130 247 1HG ARG 31 HG2 ARG 31 -2.689 9.113 -6.845 248 2HG ARG 31 HG1 ARG 31 -0.935 9.093 -6.677 249 1HD ARG 31 HD2 ARG 31 -0.889 7.151 -8.283 250 2HD ARG 31 HD1 ARG 31 -2.607 7.428 -8.565 251 HE ARG 31 HE ARG 31 -0.863 9.739 -8.941 252 1HH1 ARG 31 HH21 ARG 31 -0.089 7.717 -11.013 253 2HH1 ARG 31 HH22 ARG 31 -1.177 8.078 -12.313 254 1HH2 ARG 31 HH11 ARG 31 -3.340 9.935 -10.334 255 2HH2 ARG 31 HH12 ARG 31 -3.020 9.335 -11.927 256 H VAL 32 HN VAL 32 -0.433 6.699 -3.215 257 HA VAL 32 HA VAL 32 -2.025 4.538 -2.285 258 HB VAL 32 HB VAL 32 0.647 5.605 -1.326 259 1HG1 VAL 32 HG11 VAL 32 0.851 3.339 -0.268 260 2HG1 VAL 32 HG12 VAL 32 -0.848 3.055 -0.645 261 3HG1 VAL 32 HG13 VAL 32 -0.397 4.342 0.471 262 1HG2 VAL 32 HG21 VAL 32 1.544 4.403 -3.017 263 2HG2 VAL 32 HG22 VAL 32 -0.086 4.282 -3.677 264 3HG2 VAL 32 HG23 VAL 32 0.543 3.002 -2.641 265 H LYS 33 HN LYS 33 -0.743 7.435 -0.656 266 HA LYS 33 HA LYS 33 -1.984 7.000 1.834 267 1HB LYS 33 HB2 LYS 33 -1.055 9.531 0.481 268 2HB LYS 33 HB1 LYS 33 -1.590 9.446 2.156 269 1HG LYS 33 HG2 LYS 33 0.142 7.672 2.554 270 2HG LYS 33 HG1 LYS 33 0.741 7.960 0.920 271 1HD LYS 33 HD2 LYS 33 1.056 10.376 1.539 272 2HD LYS 33 HD1 LYS 33 0.635 9.952 3.197 273 1HE LYS 33 HE2 LYS 33 2.611 8.095 2.278 274 2HE LYS 33 HE1 LYS 33 3.179 9.727 1.926 275 1HZ LYS 33 HZ1 LYS 33 3.863 9.216 4.111 276 2HZ LYS 33 HZ2 LYS 33 2.327 8.632 4.544 277 3HZ LYS 33 HZ3 LYS 33 2.561 10.292 4.265 278 H ASN 34 HN ASN 34 -3.026 8.839 -1.022 279 HA ASN 34 HA ASN 34 -5.338 9.976 0.094 280 1HB ASN 34 HB2 ASN 34 -4.780 9.172 -2.769 281 2HB ASN 34 HB1 ASN 34 -6.055 10.261 -2.243 282 1HD2 ASN 34 HD21 ASN 34 -3.415 10.662 -3.880 283 2HD2 ASN 34 HD22 ASN 34 -2.687 12.004 -3.128 284 H ILE 35 HN ILE 35 -4.859 6.935 -1.660 285 HA ILE 35 HA ILE 35 -7.584 6.146 -1.686 286 HB ILE 35 HB ILE 35 -5.041 4.544 -1.891 287 1HG1 ILE 35 HG12 ILE 35 -7.032 5.294 -4.042 288 2HG1 ILE 35 HG11 ILE 35 -5.651 6.316 -3.650 289 1HG2 ILE 35 HG21 ILE 35 -6.741 2.918 -3.038 290 2HG2 ILE 35 HG22 ILE 35 -7.941 3.776 -2.072 291 3HG2 ILE 35 HG23 ILE 35 -6.616 2.925 -1.279 292 1HD1 ILE 35 HD11 ILE 35 -4.954 3.482 -4.010 293 2HD1 ILE 35 HD12 ILE 35 -4.186 4.922 -4.680 294 3HD1 ILE 35 HD13 ILE 35 -5.613 4.239 -5.461 295 H LEU 36 HN LEU 36 -4.886 5.139 0.453 296 HA LEU 36 HA LEU 36 -6.400 3.417 2.080 297 1HB LEU 36 HB2 LEU 36 -3.992 5.104 2.811 298 2HB LEU 36 HB1 LEU 36 -4.628 3.772 3.777 299 HG LEU 36 HG LEU 36 -3.607 3.549 0.931 300 1HD1 LEU 36 HD11 LEU 36 -1.712 2.409 1.871 301 2HD1 LEU 36 HD12 LEU 36 -2.447 2.388 3.475 302 3HD1 LEU 36 HD13 LEU 36 -1.896 3.912 2.778 303 1HD2 LEU 36 HD21 LEU 36 -5.109 1.746 2.751 304 2HD2 LEU 36 HD22 LEU 36 -3.759 1.017 1.880 305 3HD2 LEU 36 HD23 LEU 36 -5.072 1.788 0.989 306 H ALA 37 HN ALA 37 -5.779 6.885 2.284 307 HA ALA 37 HA ALA 37 -7.172 7.300 4.738 308 1HB ALA 37 HB1 ALA 37 -6.794 9.569 4.382 309 2HB ALA 37 HB2 ALA 37 -6.934 9.421 2.631 310 3HB ALA 37 HB3 ALA 37 -5.482 8.848 3.450 311 H ALA 38 HN ALA 38 -8.180 6.412 1.684 312 HA ALA 38 HA ALA 38 -10.690 7.853 1.664 313 1HB ALA 38 HB1 ALA 38 -11.034 6.928 -0.445 314 2HB ALA 38 HB2 ALA 38 -10.095 5.482 -0.074 315 3HB ALA 38 HB3 ALA 38 -9.274 7.016 -0.369 316 H VAL 39 HN VAL 39 -9.679 5.561 3.642 317 HA VAL 39 HA VAL 39 -12.357 4.488 3.977 318 HB VAL 39 HB VAL 39 -10.861 2.975 2.433 319 1HG1 VAL 39 HG11 VAL 39 -9.424 1.464 3.580 320 2HG1 VAL 39 HG12 VAL 39 -10.018 1.977 5.159 321 3HG1 VAL 39 HG13 VAL 39 -9.005 3.060 4.205 322 1HG2 VAL 39 HG21 VAL 39 -12.299 1.777 4.820 323 2HG2 VAL 39 HG22 VAL 39 -12.084 1.043 3.232 324 3HG2 VAL 39 HG23 VAL 39 -13.126 2.453 3.417 325 H GLU 40 HN GLU 40 -9.035 4.733 5.107 326 HA GLU 40 HA GLU 40 -8.140 4.416 7.239 327 1HB GLU 40 HB2 GLU 40 -10.497 6.235 7.795 328 2HB GLU 40 HB1 GLU 40 -9.070 6.055 8.814 329 1HG GLU 40 HG2 GLU 40 -7.661 6.790 6.876 330 2HG GLU 40 HG1 GLU 40 -9.143 7.101 5.971 331 H ALA 41 HN ALA 41 -11.403 4.887 8.450 332 HA ALA 41 HA ALA 41 -12.881 3.421 9.479 333 1HB ALA 41 HB1 ALA 41 -12.706 1.119 9.198 334 2HB ALA 41 HB2 ALA 41 -10.943 1.148 9.209 335 3HB ALA 41 HB3 ALA 41 -11.825 1.715 7.791 336 H THR 42 HN THR 42 -12.471 1.493 11.345 337 HA THR 42 HA THR 42 -11.278 2.990 13.497 338 HB THR 42 HB THR 42 -12.072 1.216 14.924 339 HG1 THR 42 HG1 THR 42 -12.921 -0.278 12.720 340 1HG2 THR 42 HG21 THR 42 -13.872 2.605 14.295 341 2HG2 THR 42 HG22 THR 42 -14.468 0.976 13.983 342 3HG2 THR 42 HG23 THR 42 -13.896 1.976 12.648 343 H VAL 43 HN VAL 43 -10.026 0.952 11.163 344 HA VAL 43 HA VAL 43 -7.752 0.192 12.889 345 HB VAL 43 HB VAL 43 -7.461 -1.592 11.027 346 1HG1 VAL 43 HG11 VAL 43 -9.722 -2.660 12.303 347 2HG1 VAL 43 HG12 VAL 43 -9.062 -1.491 13.447 348 3HG1 VAL 43 HG13 VAL 43 -8.048 -2.800 12.841 349 1HG2 VAL 43 HG21 VAL 43 -9.395 -0.334 9.748 350 2HG2 VAL 43 HG22 VAL 43 -10.437 -1.316 10.780 351 3HG2 VAL 43 HG23 VAL 43 -9.296 -2.094 9.683 352 HA PRO 44 HA PRO 44 -6.445 3.286 9.583 353 1HB PRO 44 HB2 PRO 44 -4.399 4.105 11.426 354 2HB PRO 44 HB1 PRO 44 -5.791 5.032 10.853 355 1HG PRO 44 HG2 PRO 44 -5.382 3.751 13.400 356 2HG PRO 44 HG1 PRO 44 -6.661 4.861 12.899 357 1HD PRO 44 HD2 PRO 44 -6.969 2.124 13.409 358 2HD PRO 44 HD1 PRO 44 -8.136 3.160 12.564 359 H ILE 45 HN ILE 45 -4.503 3.249 8.352 360 HA ILE 45 HA ILE 45 -2.855 0.849 8.835 361 HB ILE 45 HB ILE 45 -3.075 2.469 6.292 362 1HG1 ILE 45 HG12 ILE 45 -4.384 0.193 5.724 363 2HG1 ILE 45 HG11 ILE 45 -4.761 0.292 7.444 364 1HG2 ILE 45 HG21 ILE 45 -1.405 1.123 5.589 365 2HG2 ILE 45 HG22 ILE 45 -2.398 -0.292 5.943 366 3HG2 ILE 45 HG23 ILE 45 -1.338 0.372 7.188 367 1HD1 ILE 45 HD11 ILE 45 -6.474 1.621 6.704 368 2HD1 ILE 45 HD12 ILE 45 -5.634 2.050 5.214 369 3HD1 ILE 45 HD13 ILE 45 -5.223 2.864 6.724 370 H SER 46 HN SER 46 -0.647 0.972 8.970 371 HA SER 46 HA SER 46 0.472 3.680 9.269 372 1HB SER 46 HB2 SER 46 0.777 2.090 11.155 373 2HB SER 46 HB1 SER 46 1.640 0.999 10.074 374 HG SER 46 HG SER 46 2.349 3.677 10.721 375 H LEU 47 HN LEU 47 1.294 4.444 7.414 376 HA LEU 47 HA LEU 47 2.537 2.562 5.529 377 1HB LEU 47 HB2 LEU 47 0.730 4.367 4.933 378 2HB LEU 47 HB1 LEU 47 2.099 5.476 4.962 379 HG LEU 47 HG LEU 47 1.661 3.088 3.165 380 1HD1 LEU 47 HD11 LEU 47 1.073 5.706 2.813 381 2HD1 LEU 47 HD12 LEU 47 1.522 4.632 1.489 382 3HD1 LEU 47 HD13 LEU 47 2.733 5.686 2.219 383 1HD2 LEU 47 HD21 LEU 47 4.248 4.537 3.788 384 2HD2 LEU 47 HD22 LEU 47 4.004 3.602 2.315 385 3HD2 LEU 47 HD23 LEU 47 3.935 2.802 3.881 386 H GLN 48 HN GLN 48 4.671 2.369 5.514 387 HA GLN 48 HA GLN 48 6.309 4.668 6.348 388 1HB GLN 48 HB2 GLN 48 6.614 1.731 6.938 389 2HB GLN 48 HB1 GLN 48 7.965 2.851 7.052 390 1HG GLN 48 HG2 GLN 48 6.535 4.268 8.586 391 2HG GLN 48 HG1 GLN 48 5.365 2.950 8.592 392 1HE2 GLN 48 HE21 GLN 48 8.439 4.023 9.867 393 2HE2 GLN 48 HE22 GLN 48 8.730 2.663 10.840 394 H VAL 49 HN VAL 49 7.975 5.203 5.021 395 HA VAL 49 HA VAL 49 8.167 3.723 2.487 396 HB VAL 49 HB VAL 49 9.350 6.429 3.120 397 1HG1 VAL 49 HG11 VAL 49 8.806 4.874 0.584 398 2HG1 VAL 49 HG12 VAL 49 10.365 5.422 1.201 399 3HG1 VAL 49 HG13 VAL 49 9.196 6.594 0.593 400 1HG2 VAL 49 HG21 VAL 49 7.071 6.891 3.362 401 2HG2 VAL 49 HG22 VAL 49 6.592 5.604 2.254 402 3HG2 VAL 49 HG23 VAL 49 7.274 7.104 1.623 403 H ILE 50 HN ILE 50 9.979 2.690 1.891 404 HA ILE 50 HA ILE 50 12.320 2.978 3.671 405 HB ILE 50 HB ILE 50 11.534 0.521 2.088 406 1HG1 ILE 50 HG12 ILE 50 11.045 1.312 4.969 407 2HG1 ILE 50 HG11 ILE 50 9.857 0.796 3.774 408 1HG2 ILE 50 HG21 ILE 50 13.977 1.259 3.096 409 2HG2 ILE 50 HG22 ILE 50 13.460 -0.410 2.861 410 3HG2 ILE 50 HG23 ILE 50 13.299 0.349 4.445 411 1HD1 ILE 50 HD11 ILE 50 11.541 -0.826 5.522 412 2HD1 ILE 50 HD12 ILE 50 11.679 -1.305 3.832 413 3HD1 ILE 50 HD13 ILE 50 10.100 -1.284 4.615 414 H ASN 51 HN ASN 51 14.059 3.792 2.698 415 HA ASN 51 HA ASN 51 14.002 4.188 -0.166 416 1HB ASN 51 HB2 ASN 51 14.944 5.767 1.721 417 2HB ASN 51 HB1 ASN 51 16.399 4.794 1.527 418 1HD2 ASN 51 HD21 ASN 51 17.047 7.189 0.765 419 2HD2 ASN 51 HD22 ASN 51 16.915 7.459 -0.906 420 H VAL 52 HN VAL 52 14.418 2.399 -1.345 421 HA VAL 52 HA VAL 52 15.840 0.150 -0.561 422 HB VAL 52 HB VAL 52 16.007 -0.382 -2.972 423 1HG1 VAL 52 HG11 VAL 52 13.590 0.363 -1.507 424 2HG1 VAL 52 HG12 VAL 52 13.899 -1.056 -2.508 425 3HG1 VAL 52 HG13 VAL 52 13.364 0.450 -3.255 426 1HG2 VAL 52 HG21 VAL 52 15.973 2.451 -3.207 427 2HG2 VAL 52 HG22 VAL 52 14.500 1.860 -3.976 428 3HG2 VAL 52 HG23 VAL 52 16.073 1.266 -4.509 429 H ALA 53 HN ALA 53 17.035 3.219 -1.644 430 HA ALA 53 HA ALA 53 19.652 2.320 -2.387 431 1HB ALA 53 HB1 ALA 53 19.568 5.061 -1.443 432 2HB ALA 53 HB2 ALA 53 18.229 4.727 -2.543 433 3HB ALA 53 HB3 ALA 53 19.890 4.448 -3.066 434 H ASP 54 HN ASP 54 18.025 2.668 0.559 435 HA ASP 54 HA ASP 54 20.449 3.169 2.103 436 1HB ASP 54 HB2 ASP 54 17.553 2.853 2.899 437 2HB ASP 54 HB1 ASP 54 18.864 3.090 4.052 438 H GLN 55 HN GLN 55 18.238 0.559 1.295 439 HA GLN 55 HA GLN 55 20.128 -1.347 2.426 440 1HB GLN 55 HB2 GLN 55 18.536 -2.438 3.859 441 2HB GLN 55 HB1 GLN 55 18.568 -0.725 4.280 442 1HG GLN 55 HG2 GLN 55 16.649 -0.885 2.265 443 2HG GLN 55 HG1 GLN 55 16.367 -2.324 3.243 444 1HE2 GLN 55 HE21 GLN 55 14.873 -1.907 4.872 445 2HE2 GLN 55 HE22 GLN 55 14.731 -0.437 5.709 446 HA PRO 56 HA PRO 56 18.068 -2.739 -1.477 447 1HB PRO 56 HB2 PRO 56 20.651 -3.652 -2.348 448 2HB PRO 56 HB1 PRO 56 19.668 -2.345 -3.023 449 1HG PRO 56 HG2 PRO 56 22.069 -2.085 -1.619 450 2HG PRO 56 HG1 PRO 56 20.948 -0.791 -2.052 451 1HD PRO 56 HD2 PRO 56 21.421 -2.028 0.571 452 2HD PRO 56 HD1 PRO 56 20.624 -0.491 0.179 453 H GLN 57 HN GLN 57 19.835 -4.099 1.058 454 HA GLN 57 HA GLN 57 20.036 -6.797 0.179 455 1HB GLN 57 HB2 GLN 57 21.485 -6.143 1.922 456 2HB GLN 57 HB1 GLN 57 20.163 -5.483 2.886 457 1HG GLN 57 HG2 GLN 57 19.240 -7.723 3.222 458 2HG GLN 57 HG1 GLN 57 20.483 -8.415 2.176 459 1HE2 GLN 57 HE21 GLN 57 20.140 -9.162 4.965 460 2HE2 GLN 57 HE22 GLN 57 21.540 -8.675 5.795 461 H LEU 58 HN LEU 58 17.609 -5.122 2.238 462 HA LEU 58 HA LEU 58 16.166 -7.549 2.669 463 1HB LEU 58 HB2 LEU 58 14.775 -6.299 3.998 464 2HB LEU 58 HB1 LEU 58 16.190 -5.254 3.997 465 HG LEU 58 HG LEU 58 15.149 -4.070 1.989 466 1HD1 LEU 58 HD11 LEU 58 13.310 -5.024 1.107 467 2HD1 LEU 58 HD12 LEU 58 12.450 -4.633 2.589 468 3HD1 LEU 58 HD13 LEU 58 13.236 -6.193 2.424 469 1HD2 LEU 58 HD21 LEU 58 14.204 -2.546 3.438 470 2HD2 LEU 58 HD22 LEU 58 14.949 -3.585 4.652 471 3HD2 LEU 58 HD23 LEU 58 13.242 -3.775 4.257 472 H VAL 59 HN VAL 59 16.262 -5.125 0.207 473 HA VAL 59 HA VAL 59 13.724 -5.541 -0.980 474 HB VAL 59 HB VAL 59 16.308 -4.769 -2.357 475 1HG1 VAL 59 HG11 VAL 59 13.455 -4.009 -3.003 476 2HG1 VAL 59 HG12 VAL 59 14.277 -5.379 -3.737 477 3HG1 VAL 59 HG13 VAL 59 14.890 -3.750 -3.996 478 1HG2 VAL 59 HG21 VAL 59 15.834 -3.373 -0.347 479 2HG2 VAL 59 HG22 VAL 59 14.238 -3.017 -1.002 480 3HG2 VAL 59 HG23 VAL 59 15.680 -2.456 -1.845 481 H GLU 60 HN GLU 60 16.911 -7.053 -1.545 482 HA GLU 60 HA GLU 60 15.988 -8.827 -3.599 483 1HB GLU 60 HB2 GLU 60 18.395 -8.977 -1.765 484 2HB GLU 60 HB1 GLU 60 18.116 -10.047 -3.139 485 1HG GLU 60 HG2 GLU 60 18.034 -8.065 -4.635 486 2HG GLU 60 HG1 GLU 60 18.399 -7.032 -3.254 487 H TYR 61 HN TYR 61 16.128 -8.992 -0.092 488 HA TYR 61 HA TYR 61 15.827 -11.730 0.317 489 1HB TYR 61 HB2 TYR 61 16.139 -9.961 2.095 490 2HB TYR 61 HB1 TYR 61 14.426 -9.582 1.919 491 HD1 TYR 61 HD1 TYR 61 12.693 -11.230 2.555 492 HD2 TYR 61 HD2 TYR 61 16.876 -12.026 3.122 493 HE1 TYR 61 HE1 TYR 61 12.132 -13.114 4.069 494 HE2 TYR 61 HE2 TYR 61 16.315 -13.910 4.632 495 HH TYR 61 HH TYR 61 14.674 -15.196 5.431 496 H TYR 62 HN TYR 62 13.421 -9.257 -0.410 497 HA TYR 62 HA TYR 62 11.228 -11.167 -0.411 498 1HB TYR 62 HB2 TYR 62 11.437 -8.221 -1.054 499 2HB TYR 62 HB1 TYR 62 9.946 -9.136 -1.223 500 HD1 TYR 62 HD1 TYR 62 11.754 -7.071 0.925 501 HD2 TYR 62 HD2 TYR 62 9.400 -10.665 0.953 502 HE1 TYR 62 HE1 TYR 62 11.294 -6.749 3.337 503 HE2 TYR 62 HE2 TYR 62 8.943 -10.343 3.368 504 HH TYR 62 HH TYR 62 9.034 -7.823 4.938 505 H ARG 63 HN ARG 63 13.676 -11.005 -2.381 506 HA ARG 63 HA ARG 63 14.047 -11.441 -4.606 507 1HB ARG 63 HB2 ARG 63 11.118 -12.210 -4.478 508 2HB ARG 63 HB1 ARG 63 12.151 -12.479 -5.883 509 1HG ARG 63 HG2 ARG 63 13.721 -13.759 -4.376 510 2HG ARG 63 HG1 ARG 63 12.500 -13.639 -3.109 511 1HD ARG 63 HD2 ARG 63 11.987 -14.827 -5.840 512 2HD ARG 63 HD1 ARG 63 12.401 -15.780 -4.419 513 HE ARG 63 HE ARG 63 10.306 -14.842 -3.402 514 1HH1 ARG 63 HH11 ARG 63 10.124 -16.620 -6.068 515 2HH1 ARG 63 HH12 ARG 63 8.721 -15.891 -6.774 516 1HH2 ARG 63 HH21 ARG 63 8.740 -13.161 -4.634 517 2HH2 ARG 63 HH22 ARG 63 7.935 -13.931 -5.959 518 H LEU 64 HN LEU 64 12.352 -9.050 -3.364 519 HA LEU 64 HA LEU 64 11.066 -7.760 -5.525 520 1HB LEU 64 HB2 LEU 64 10.926 -7.316 -2.975 521 2HB LEU 64 HB1 LEU 64 12.385 -6.359 -3.199 522 HG LEU 64 HG LEU 64 10.349 -4.968 -3.307 523 1HD1 LEU 64 HD11 LEU 64 11.140 -3.663 -5.024 524 2HD1 LEU 64 HD12 LEU 64 11.331 -5.029 -6.120 525 3HD1 LEU 64 HD13 LEU 64 12.512 -4.753 -4.841 526 1HD2 LEU 64 HD21 LEU 64 8.599 -5.378 -4.744 527 2HD2 LEU 64 HD22 LEU 64 9.136 -7.037 -4.478 528 3HD2 LEU 64 HD23 LEU 64 9.624 -6.173 -5.938 529 H VAL 65 HN VAL 65 11.905 -6.612 -7.195 530 HA VAL 65 HA VAL 65 14.627 -5.548 -6.978 531 HB VAL 65 HB VAL 65 13.783 -7.332 -9.271 532 1HG1 VAL 65 HG11 VAL 65 16.303 -5.805 -8.590 533 2HG1 VAL 65 HG12 VAL 65 15.328 -5.684 -10.054 534 3HG1 VAL 65 HG13 VAL 65 16.285 -7.132 -9.751 535 1HG2 VAL 65 HG21 VAL 65 14.172 -8.642 -7.234 536 2HG2 VAL 65 HG22 VAL 65 15.694 -7.795 -6.957 537 3HG2 VAL 65 HG23 VAL 65 15.520 -8.865 -8.348 538 H VAL 66 HN VAL 66 11.441 -5.160 -7.929 539 HA VAL 66 HA VAL 66 12.128 -3.130 -9.940 540 HB VAL 66 HB VAL 66 9.685 -3.252 -10.481 541 1HG1 VAL 66 HG11 VAL 66 11.556 -5.580 -10.725 542 2HG1 VAL 66 HG12 VAL 66 10.972 -4.487 -11.981 543 3HG1 VAL 66 HG13 VAL 66 9.908 -5.735 -11.332 544 1HG2 VAL 66 HG21 VAL 66 9.620 -5.809 -8.915 545 2HG2 VAL 66 HG22 VAL 66 8.276 -4.828 -9.499 546 3HG2 VAL 66 HG23 VAL 66 9.233 -4.282 -8.122 547 H THR 67 HN THR 67 11.536 -1.028 -9.664 548 HA THR 67 HA THR 67 9.966 -0.333 -7.293 549 HB THR 67 HB THR 67 11.632 1.635 -6.988 550 HG1 THR 67 HG1 THR 67 13.536 -0.168 -7.910 551 1HG2 THR 67 HG21 THR 67 11.668 -1.159 -6.081 552 2HG2 THR 67 HG22 THR 67 11.787 0.332 -5.145 553 3HG2 THR 67 HG23 THR 67 13.225 -0.347 -5.909 554 HA PRO 68 HA PRO 68 9.448 1.746 -6.367 555 1HB PRO 68 HB2 PRO 68 6.715 2.600 -6.593 556 2HB PRO 68 HB1 PRO 68 8.117 3.540 -6.068 557 1HG PRO 68 HG2 PRO 68 6.679 3.881 -8.428 558 2HG PRO 68 HG1 PRO 68 8.250 4.592 -8.037 559 1HD PRO 68 HD2 PRO 68 7.613 2.344 -9.841 560 2HD PRO 68 HD1 PRO 68 9.051 3.387 -9.801 561 H ALA 69 HN ALA 69 8.364 0.445 -4.867 562 HA ALA 69 HA ALA 69 6.325 -1.423 -5.846 563 1HB ALA 69 HB1 ALA 69 9.016 -2.212 -4.710 564 2HB ALA 69 HB2 ALA 69 8.317 -2.687 -6.258 565 3HB ALA 69 HB3 ALA 69 7.636 -3.308 -4.754 566 H LEU 70 HN LEU 70 4.970 -2.144 -4.231 567 HA LEU 70 HA LEU 70 5.474 -1.055 -1.536 568 1HB LEU 70 HB2 LEU 70 3.627 0.006 -2.970 569 2HB LEU 70 HB1 LEU 70 2.735 -1.487 -2.702 570 HG LEU 70 HG LEU 70 3.939 0.067 -0.416 571 1HD1 LEU 70 HD11 LEU 70 1.044 0.337 -0.817 572 2HD1 LEU 70 HD12 LEU 70 1.995 1.112 -2.082 573 3HD1 LEU 70 HD13 LEU 70 2.238 1.563 -0.396 574 1HD2 LEU 70 HD21 LEU 70 1.650 -1.168 0.434 575 2HD2 LEU 70 HD22 LEU 70 3.261 -1.860 0.578 576 3HD2 LEU 70 HD23 LEU 70 2.224 -2.309 -0.773 577 H VAL 71 HN VAL 71 5.225 -2.417 0.186 578 HA VAL 71 HA VAL 71 4.168 -5.116 -0.382 579 HB VAL 71 HB VAL 71 6.664 -4.490 1.204 580 1HG1 VAL 71 HG11 VAL 71 6.922 -6.934 1.273 581 2HG1 VAL 71 HG12 VAL 71 5.412 -7.127 0.386 582 3HG1 VAL 71 HG13 VAL 71 5.396 -6.453 2.013 583 1HG2 VAL 71 HG21 VAL 71 6.585 -6.075 -1.352 584 2HG2 VAL 71 HG22 VAL 71 7.932 -5.195 -0.630 585 3HG2 VAL 71 HG23 VAL 71 6.630 -4.313 -1.426 586 H LYS 72 HN LYS 72 2.738 -5.860 1.054 587 HA LYS 72 HA LYS 72 2.334 -4.372 3.558 588 1HB LYS 72 HB2 LYS 72 0.331 -4.930 2.180 589 2HB LYS 72 HB1 LYS 72 0.686 -6.645 2.405 590 1HG LYS 72 HG2 LYS 72 0.809 -5.729 4.987 591 2HG LYS 72 HG1 LYS 72 -0.437 -4.680 4.313 592 1HD LYS 72 HD2 LYS 72 -0.550 -7.655 3.845 593 2HD LYS 72 HD1 LYS 72 -1.152 -6.961 5.349 594 1HE LYS 72 HE2 LYS 72 -2.763 -5.645 4.232 595 2HE LYS 72 HE1 LYS 72 -2.004 -5.892 2.660 596 1HZ LYS 72 HZ1 LYS 72 -3.886 -7.541 4.052 597 2HZ LYS 72 HZ2 LYS 72 -2.521 -8.412 3.540 598 3HZ LYS 72 HZ3 LYS 72 -3.451 -7.546 2.413 599 H ILE 73 HN ILE 73 3.133 -5.135 5.443 600 HA ILE 73 HA ILE 73 4.264 -7.848 5.369 601 HB ILE 73 HB ILE 73 5.410 -6.931 7.542 602 1HG1 ILE 73 HG12 ILE 73 3.868 -4.827 7.308 603 2HG1 ILE 73 HG11 ILE 73 5.558 -4.603 7.753 604 1HG2 ILE 73 HG21 ILE 73 6.654 -7.507 5.551 605 2HG2 ILE 73 HG22 ILE 73 7.186 -5.908 6.072 606 3HG2 ILE 73 HG23 ILE 73 6.073 -6.067 4.714 607 1HD1 ILE 73 HD11 ILE 73 4.369 -3.257 5.722 608 2HD1 ILE 73 HD12 ILE 73 4.991 -4.649 4.839 609 3HD1 ILE 73 HD13 ILE 73 6.092 -3.625 5.757 610 H GLY 74 HN GLY 74 1.627 -6.125 6.779 611 1HA GLY 74 HA2 GLY 74 0.260 -8.138 7.828 612 2HA GLY 74 HA1 GLY 74 1.516 -7.980 9.046 613 HA PRO 75 HA PRO 75 0.103 -8.563 10.577 614 1HB PRO 75 HB2 PRO 75 -2.647 -8.622 11.427 615 2HB PRO 75 HB1 PRO 75 -1.187 -8.538 12.422 616 1HG PRO 75 HG2 PRO 75 -3.058 -6.512 12.065 617 2HG PRO 75 HG1 PRO 75 -1.443 -6.342 12.762 618 1HD PRO 75 HD2 PRO 75 -2.414 -5.533 10.092 619 2HD PRO 75 HD1 PRO 75 -1.007 -4.950 11.006 620 H GLY 76 HN GLY 76 -1.006 -10.667 10.181 621 1HA GLY 76 HA2 GLY 76 -2.467 -12.051 8.915 622 2HA GLY 76 HA1 GLY 76 -2.811 -10.681 7.862 623 H SER 77 HN SER 77 -2.369 -12.280 6.136 624 HA SER 77 HA SER 77 0.210 -13.401 5.765 625 1HB SER 77 HB2 SER 77 -1.551 -14.409 4.563 626 2HB SER 77 HB1 SER 77 -2.095 -12.871 3.900 627 HG SER 77 HG SER 77 -0.857 -13.409 2.286 628 H ARG 78 HN ARG 78 1.616 -12.909 3.926 629 HA ARG 78 HA ARG 78 2.182 -10.023 3.817 630 1HB ARG 78 HB2 ARG 78 3.966 -11.623 4.501 631 2HB ARG 78 HB1 ARG 78 3.861 -12.373 2.908 632 1HG ARG 78 HG2 ARG 78 4.394 -10.177 1.869 633 2HG ARG 78 HG1 ARG 78 4.586 -9.487 3.483 634 1HD ARG 78 HD2 ARG 78 6.773 -10.141 2.576 635 2HD ARG 78 HD1 ARG 78 6.363 -11.135 3.971 636 HE ARG 78 HE ARG 78 6.232 -12.982 2.560 637 1HH1 ARG 78 HH21 ARG 78 5.880 -10.086 0.716 638 2HH1 ARG 78 HH22 ARG 78 6.239 -10.840 -0.802 639 1HH2 ARG 78 HH11 ARG 78 6.866 -13.954 0.593 640 2HH2 ARG 78 HH12 ARG 78 6.795 -13.032 -0.872 641 H GLN 79 HN GLN 79 2.369 -8.902 1.869 642 HA GLN 79 HA GLN 79 1.811 -10.340 -0.631 643 1HB GLN 79 HB2 GLN 79 0.206 -7.971 0.359 644 2HB GLN 79 HB1 GLN 79 0.106 -8.649 -1.266 645 1HG GLN 79 HG2 GLN 79 -0.498 -10.860 -0.233 646 2HG GLN 79 HG1 GLN 79 -0.567 -10.054 1.334 647 1HE2 GLN 79 HE21 GLN 79 -1.549 -7.741 -0.832 648 2HE2 GLN 79 HE22 GLN 79 -3.224 -8.013 -0.795 649 H VAL 80 HN VAL 80 2.401 -9.145 -2.536 650 HA VAL 80 HA VAL 80 4.141 -6.811 -2.003 651 HB VAL 80 HB VAL 80 4.694 -9.102 -3.903 652 1HG1 VAL 80 HG11 VAL 80 5.570 -6.388 -3.908 653 2HG1 VAL 80 HG12 VAL 80 6.123 -7.710 -4.935 654 3HG1 VAL 80 HG13 VAL 80 6.934 -7.385 -3.404 655 1HG2 VAL 80 HG21 VAL 80 5.051 -9.663 -1.512 656 2HG2 VAL 80 HG22 VAL 80 6.090 -8.249 -1.347 657 3HG2 VAL 80 HG23 VAL 80 6.576 -9.580 -2.393 658 H LEU 81 HN LEU 81 3.593 -5.076 -3.157 659 HA LEU 81 HA LEU 81 2.138 -5.472 -5.707 660 1HB LEU 81 HB2 LEU 81 1.948 -2.986 -4.036 661 2HB LEU 81 HB1 LEU 81 0.842 -3.563 -5.278 662 HG LEU 81 HG LEU 81 1.310 -4.978 -2.640 663 1HD1 LEU 81 HD11 LEU 81 -0.064 -2.569 -3.111 664 2HD1 LEU 81 HD12 LEU 81 -0.177 -3.590 -1.680 665 3HD1 LEU 81 HD13 LEU 81 -1.314 -3.808 -3.010 666 1HD2 LEU 81 HD21 LEU 81 -0.925 -5.261 -4.665 667 2HD2 LEU 81 HD22 LEU 81 -0.631 -6.273 -3.249 668 3HD2 LEU 81 HD23 LEU 81 0.480 -6.328 -4.614 669 H SER 82 HN SER 82 3.272 -4.781 -7.456 670 HA SER 82 HA SER 82 4.894 -2.381 -7.262 671 1HB SER 82 HB2 SER 82 6.560 -3.961 -6.553 672 2HB SER 82 HB1 SER 82 6.158 -5.055 -7.869 673 HG SER 82 HG SER 82 7.119 -2.397 -8.156 674 H GLY 83 HN GLY 83 5.907 -1.845 -9.360 675 1HA GLY 83 HA2 GLY 83 5.939 -1.898 -11.724 676 2HA GLY 83 HA1 GLY 83 4.596 -3.033 -11.698 677 H ILE 84 HN ILE 84 5.093 0.193 -10.303 678 HA ILE 84 HA ILE 84 3.664 1.995 -10.165 679 HB ILE 84 HB ILE 84 3.331 3.061 -12.250 680 1HG1 ILE 84 HG12 ILE 84 3.637 0.380 -13.636 681 2HG1 ILE 84 HG11 ILE 84 2.073 1.119 -13.294 682 1HG2 ILE 84 HG21 ILE 84 5.471 2.764 -13.347 683 2HG2 ILE 84 HG22 ILE 84 5.636 1.142 -12.674 684 3HG2 ILE 84 HG23 ILE 84 5.709 2.547 -11.612 685 1HD1 ILE 84 HD11 ILE 84 2.325 2.716 -14.906 686 2HD1 ILE 84 HD12 ILE 84 3.443 1.540 -15.597 687 3HD1 ILE 84 HD13 ILE 84 4.058 2.873 -14.620 688 H ASP 85 HN ASP 85 2.410 -0.934 -10.450 689 HA ASP 85 HA ASP 85 -0.344 -0.130 -11.077 690 1HB ASP 85 HB2 ASP 85 -0.844 -2.501 -11.049 691 2HB ASP 85 HB1 ASP 85 0.604 -2.245 -12.024 692 H LEU 86 HN LEU 86 1.511 0.232 -8.510 693 HA LEU 86 HA LEU 86 0.517 -1.047 -6.317 694 1HB LEU 86 HB2 LEU 86 1.128 1.909 -6.496 695 2HB LEU 86 HB1 LEU 86 1.117 0.933 -5.031 696 HG LEU 86 HG LEU 86 2.954 0.523 -7.405 697 1HD1 LEU 86 HD11 LEU 86 3.938 2.316 -6.331 698 2HD1 LEU 86 HD12 LEU 86 4.590 1.012 -5.339 699 3HD1 LEU 86 HD13 LEU 86 3.192 1.931 -4.781 700 1HD2 LEU 86 HD21 LEU 86 2.750 -1.615 -6.520 701 2HD2 LEU 86 HD22 LEU 86 2.383 -1.020 -4.901 702 3HD2 LEU 86 HD23 LEU 86 4.041 -0.976 -5.501 703 H THR 87 HN THR 87 -0.867 1.895 -7.801 704 HA THR 87 HA THR 87 -3.004 2.099 -5.961 705 HB THR 87 HB THR 87 -3.953 3.724 -7.497 706 HG1 THR 87 HG1 THR 87 -1.990 2.857 -9.345 707 1HG2 THR 87 HG21 THR 87 -0.924 3.831 -7.528 708 2HG2 THR 87 HG22 THR 87 -1.954 4.406 -6.218 709 3HG2 THR 87 HG23 THR 87 -2.003 5.201 -7.792 710 H ASP 88 HN ASP 88 -2.750 0.459 -9.101 711 HA ASP 88 HA ASP 88 -5.530 -0.194 -9.223 712 1HB ASP 88 HB2 ASP 88 -3.103 -1.371 -10.594 713 2HB ASP 88 HB1 ASP 88 -4.758 -1.855 -10.943 714 H GLN 89 HN GLN 89 -2.610 -1.997 -8.289 715 HA GLN 89 HA GLN 89 -4.003 -4.357 -7.492 716 1HB GLN 89 HB2 GLN 89 -1.407 -3.794 -7.983 717 2HB GLN 89 HB1 GLN 89 -1.402 -3.719 -6.221 718 1HG GLN 89 HG2 GLN 89 -2.401 -5.954 -6.094 719 2HG GLN 89 HG1 GLN 89 -2.498 -6.028 -7.852 720 1HE2 GLN 89 HE21 GLN 89 0.262 -4.429 -7.635 721 2HE2 GLN 89 HE22 GLN 89 1.379 -5.695 -7.465 722 H LEU 90 HN LEU 90 -2.724 -1.534 -5.710 723 HA LEU 90 HA LEU 90 -3.325 -2.410 -3.123 724 1HB LEU 90 HB2 LEU 90 -1.979 -0.415 -3.558 725 2HB LEU 90 HB1 LEU 90 -3.392 0.409 -4.221 726 HG LEU 90 HG LEU 90 -4.532 0.028 -1.987 727 1HD1 LEU 90 HD11 LEU 90 -2.570 -0.223 -0.173 728 2HD1 LEU 90 HD12 LEU 90 -1.842 -1.156 -1.480 729 3HD1 LEU 90 HD13 LEU 90 -3.415 -1.623 -0.833 730 1HD2 LEU 90 HD21 LEU 90 -2.662 1.675 -0.869 731 2HD2 LEU 90 HD22 LEU 90 -3.878 2.211 -2.029 732 3HD2 LEU 90 HD23 LEU 90 -2.250 1.813 -2.578 733 H ALA 91 HN ALA 91 -5.314 -0.535 -5.392 734 HA ALA 91 HA ALA 91 -7.558 -0.188 -3.756 735 1HB ALA 91 HB1 ALA 91 -8.797 -0.120 -6.015 736 2HB ALA 91 HB2 ALA 91 -7.211 -0.371 -6.744 737 3HB ALA 91 HB3 ALA 91 -7.513 1.061 -5.759 738 H ASN 92 HN ASN 92 -6.630 -2.864 -5.869 739 HA ASN 92 HA ASN 92 -9.062 -4.342 -5.410 740 1HB ASN 92 HB2 ASN 92 -6.425 -5.019 -6.715 741 2HB ASN 92 HB1 ASN 92 -7.764 -6.152 -6.595 742 1HD2 ASN 92 HD21 ASN 92 -9.573 -3.572 -6.857 743 2HD2 ASN 92 HD22 ASN 92 -9.609 -3.323 -8.536 744 H GLN 93 HN GLN 93 -5.750 -4.372 -4.240 745 HA GLN 93 HA GLN 93 -6.056 -6.757 -2.687 746 1HB GLN 93 HB2 GLN 93 -3.932 -4.621 -2.801 747 2HB GLN 93 HB1 GLN 93 -3.825 -6.039 -1.759 748 1HG GLN 93 HG2 GLN 93 -4.202 -6.124 -4.761 749 2HG GLN 93 HG1 GLN 93 -2.673 -6.390 -3.932 750 1HE2 GLN 93 HE21 GLN 93 -4.521 -8.266 -5.548 751 2HE2 GLN 93 HE22 GLN 93 -4.725 -9.596 -4.519 752 H LEU 94 HN LEU 94 -6.277 -3.305 -2.050 753 HA LEU 94 HA LEU 94 -6.128 -3.287 0.711 754 1HB LEU 94 HB2 LEU 94 -6.214 -1.201 -0.354 755 2HB LEU 94 HB1 LEU 94 -7.690 -1.596 -1.221 756 HG LEU 94 HG LEU 94 -8.958 -1.601 0.879 757 1HD1 LEU 94 HD11 LEU 94 -7.632 -2.262 2.636 758 2HD1 LEU 94 HD12 LEU 94 -7.446 -0.520 2.837 759 3HD1 LEU 94 HD13 LEU 94 -6.203 -1.448 1.998 760 1HD2 LEU 94 HD21 LEU 94 -8.098 0.588 -0.437 761 2HD2 LEU 94 HD22 LEU 94 -7.377 0.911 1.139 762 3HD2 LEU 94 HD23 LEU 94 -9.121 0.692 0.996 763 HA PRO 95 HA PRO 95 -11.011 -3.986 0.893 764 1HB PRO 95 HB2 PRO 95 -11.525 -5.826 -1.260 765 2HB PRO 95 HB1 PRO 95 -12.246 -4.232 -0.993 766 1HG PRO 95 HG2 PRO 95 -10.122 -5.026 -2.821 767 2HG PRO 95 HG1 PRO 95 -11.126 -3.570 -2.820 768 1HD PRO 95 HD2 PRO 95 -8.455 -3.569 -2.180 769 2HD PRO 95 HD1 PRO 95 -9.622 -2.372 -1.574 770 H GLN 96 HN GLN 96 -9.018 -6.472 -0.711 771 HA GLN 96 HA GLN 96 -9.966 -8.693 0.726 772 1HB GLN 96 HB2 GLN 96 -7.262 -8.215 -0.547 773 2HB GLN 96 HB1 GLN 96 -7.860 -9.784 -0.004 774 1HG GLN 96 HG2 GLN 96 -9.776 -9.593 -1.541 775 2HG GLN 96 HG1 GLN 96 -9.188 -8.020 -2.078 776 1HE2 GLN 96 HE21 GLN 96 -9.398 -9.717 -4.137 777 2HE2 GLN 96 HE22 GLN 96 -7.903 -10.387 -4.581 778 H TRP 97 HN TRP 97 -7.487 -6.318 1.450 779 HA TRP 97 HA TRP 97 -6.220 -7.671 3.576 780 1HB TRP 97 HB2 TRP 97 -6.610 -4.693 3.196 781 2HB TRP 97 HB1 TRP 97 -5.438 -5.451 4.274 782 HD1 TRP 97 HD1 TRP 97 -5.463 -7.643 1.440 783 HE1 TRP 97 HE1 TRP 97 -3.590 -7.077 -0.245 784 HE3 TRP 97 HE3 TRP 97 -4.210 -2.972 3.065 785 HZ2 TRP 97 HZ2 TRP 97 -1.795 -4.919 -0.817 786 HZ3 TRP 97 HZ3 TRP 97 -2.419 -1.683 1.939 787 HH2 TRP 97 HH2 TRP 97 -1.210 -2.648 0.004 788 H LEU 98 HN LEU 98 -8.969 -5.412 3.536 789 HA LEU 98 HA LEU 98 -9.356 -5.514 6.375 790 1HB LEU 98 HB2 LEU 98 -11.210 -4.584 4.173 791 2HB LEU 98 HB1 LEU 98 -11.398 -4.255 5.892 792 HG LEU 98 HG LEU 98 -9.092 -3.360 4.144 793 1HD1 LEU 98 HD11 LEU 98 -10.797 -1.854 3.678 794 2HD1 LEU 98 HD12 LEU 98 -10.079 -1.096 5.099 795 3HD1 LEU 98 HD13 LEU 98 -11.549 -2.056 5.260 796 1HD2 LEU 98 HD21 LEU 98 -8.711 -2.000 6.397 797 2HD2 LEU 98 HD22 LEU 98 -8.052 -3.624 6.202 798 3HD2 LEU 98 HD23 LEU 98 -9.547 -3.382 7.106 799 H VAL 99 HN VAL 99 -10.840 -7.047 3.561 800 HA VAL 99 HA VAL 99 -12.947 -8.349 4.916 801 HB VAL 99 HB VAL 99 -11.517 -9.025 2.338 802 1HG1 VAL 99 HG11 VAL 99 -14.074 -10.156 3.516 803 2HG1 VAL 99 HG12 VAL 99 -12.569 -11.037 3.250 804 3HG1 VAL 99 HG13 VAL 99 -13.499 -10.448 1.874 805 1HG2 VAL 99 HG21 VAL 99 -14.321 -8.113 2.345 806 2HG2 VAL 99 HG22 VAL 99 -12.971 -7.586 1.340 807 3HG2 VAL 99 HG23 VAL 99 -13.180 -6.916 2.958 808 H GLN 100 HN GLN 100 -9.657 -9.390 4.121 809 HA GLN 100 HA GLN 100 -8.393 -11.177 4.842 810 1HB GLN 100 HB2 GLN 100 -10.130 -10.831 7.297 811 2HB GLN 100 HB1 GLN 100 -8.599 -11.705 7.234 812 1HG GLN 100 HG2 GLN 100 -7.418 -9.664 6.606 813 2HG GLN 100 HG1 GLN 100 -8.939 -8.777 6.546 814 1HE2 GLN 100 HE21 GLN 100 -6.849 -7.940 8.293 815 2HE2 GLN 100 HE22 GLN 100 -7.349 -8.204 9.894 816 H GLN 101 HN GLN 101 -10.909 -11.745 3.416 817 HA GLN 101 HA GLN 101 -11.052 -14.579 4.068 818 1HB GLN 101 HB2 GLN 101 -13.477 -12.775 4.201 819 2HB GLN 101 HB1 GLN 101 -13.557 -14.534 4.126 820 1HG GLN 101 HG2 GLN 101 -12.156 -14.655 6.180 821 2HG GLN 101 HG1 GLN 101 -12.191 -12.895 6.278 822 1HE2 GLN 101 HE21 GLN 101 -15.140 -13.548 5.024 823 2HE2 GLN 101 HE22 GLN 101 -16.042 -13.731 6.451 824 H GLU 102 HN GLU 102 -12.319 -15.794 2.435 825 HA GLU 102 HA GLU 102 -12.689 -16.362 0.238 826 1HB GLU 102 HB2 GLU 102 -13.392 -13.424 0.021 827 2HB GLU 102 HB1 GLU 102 -13.809 -14.672 -1.156 828 1HG GLU 102 HG2 GLU 102 -15.070 -15.881 0.619 829 2HG GLU 102 HG1 GLU 102 -14.714 -14.565 1.736 830 H GLY 103 HN GLY 103 -12.345 -14.331 -1.962 831 1HA GLY 103 HA2 GLY 103 -10.680 -13.474 -3.322 832 2HA GLY 103 HA1 GLY 103 -9.571 -13.575 -1.957 833 H ILE 104 HN ILE 104 -11.438 -15.956 -3.866 834 HA ILE 104 HA ILE 104 -9.070 -17.690 -3.929 835 HB ILE 104 HB ILE 104 -11.496 -18.441 -3.321 836 1HG1 ILE 104 HG12 ILE 104 -10.967 -20.575 -4.889 837 2HG1 ILE 104 HG11 ILE 104 -9.406 -19.759 -4.982 838 1HG2 ILE 104 HG21 ILE 104 -11.614 -18.673 -6.337 839 2HG2 ILE 104 HG22 ILE 104 -12.404 -17.371 -5.448 840 3HG2 ILE 104 HG23 ILE 104 -12.889 -19.045 -5.177 841 1HD1 ILE 104 HD11 ILE 104 -9.564 -19.571 -2.411 842 2HD1 ILE 104 HD12 ILE 104 -9.210 -21.161 -3.086 843 3HD1 ILE 104 HD13 ILE 104 -10.841 -20.781 -2.532 844 H PHE 105 HN PHE 105 -7.942 -18.117 -5.746 845 HA PHE 105 HA PHE 105 -8.949 -16.966 -8.280 846 1HB PHE 105 HB2 PHE 105 -6.091 -17.091 -7.281 847 2HB PHE 105 HB1 PHE 105 -6.591 -16.512 -8.871 848 HD1 PHE 105 HD1 PHE 105 -6.506 -15.785 -5.277 849 HD2 PHE 105 HD2 PHE 105 -7.883 -14.426 -9.113 850 HE1 PHE 105 HE1 PHE 105 -6.966 -13.544 -4.319 851 HE2 PHE 105 HE2 PHE 105 -8.342 -12.185 -8.153 852 HZ PHE 105 HZ PHE 105 -7.884 -11.745 -5.757 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -7.114 9.055 17.703 2 2H GLY 1 HT2 GLY 1 -7.046 10.753 17.689 3 3H GLY 1 HT3 GLY 1 -8.547 9.959 17.610 4 1HA GLY 1 HA2 GLY 1 -7.116 9.112 19.904 5 2HA GLY 1 HA1 GLY 1 -7.263 10.869 19.875 6 H SER 2 HN SER 2 -9.721 9.740 18.017 7 HA SER 2 HA SER 2 -11.776 10.527 19.742 8 1HB SER 2 HB2 SER 2 -11.960 8.580 17.433 9 2HB SER 2 HB1 SER 2 -13.297 9.478 18.146 10 HG SER 2 HG SER 2 -11.504 10.254 16.292 11 H SER 3 HN SER 3 -10.365 7.331 19.168 12 HA SER 3 HA SER 3 -12.284 5.920 20.760 13 1HB SER 3 HB2 SER 3 -9.493 5.129 19.895 14 2HB SER 3 HB1 SER 3 -10.682 4.047 20.613 15 HG SER 3 HG SER 3 -12.069 4.634 18.831 16 H LEU 4 HN LEU 4 -12.041 5.074 22.844 17 HA LEU 4 HA LEU 4 -10.376 6.706 24.602 18 1HB LEU 4 HB2 LEU 4 -12.786 6.245 25.119 19 2HB LEU 4 HB1 LEU 4 -12.366 4.546 25.330 20 HG LEU 4 HG LEU 4 -10.518 5.540 26.946 21 1HD1 LEU 4 HD11 LEU 4 -11.108 7.898 26.376 22 2HD1 LEU 4 HD12 LEU 4 -11.283 7.555 28.098 23 3HD1 LEU 4 HD13 LEU 4 -12.710 7.633 27.065 24 1HD2 LEU 4 HD21 LEU 4 -12.487 4.032 27.489 25 2HD2 LEU 4 HD22 LEU 4 -13.421 5.491 27.815 26 3HD2 LEU 4 HD23 LEU 4 -12.003 5.114 28.794 27 H SER 5 HN SER 5 -11.201 3.261 24.792 28 HA SER 5 HA SER 5 -8.512 2.341 24.475 29 1HB SER 5 HB2 SER 5 -9.498 2.997 27.186 30 2HB SER 5 HB1 SER 5 -8.731 1.421 27.015 31 HG SER 5 HG SER 5 -7.083 2.801 27.382 32 HA PRO 6 HA PRO 6 -12.343 -0.463 23.925 33 1HB PRO 6 HB2 PRO 6 -10.966 -1.417 21.581 34 2HB PRO 6 HB1 PRO 6 -12.491 -0.521 21.666 35 1HG PRO 6 HG2 PRO 6 -9.810 0.432 21.028 36 2HG PRO 6 HG1 PRO 6 -11.380 1.187 20.723 37 1HD PRO 6 HD2 PRO 6 -9.591 2.119 22.584 38 2HD PRO 6 HD1 PRO 6 -11.347 2.364 22.705 39 H GLN 7 HN GLN 7 -12.366 -2.651 24.405 40 HA GLN 7 HA GLN 7 -10.127 -3.729 25.763 41 1HB GLN 7 HB2 GLN 7 -12.556 -4.293 26.167 42 2HB GLN 7 HB1 GLN 7 -12.500 -5.269 24.700 43 1HG GLN 7 HG2 GLN 7 -12.045 -6.789 26.471 44 2HG GLN 7 HG1 GLN 7 -10.477 -6.447 25.743 45 1HE2 GLN 7 HE21 GLN 7 -8.902 -6.063 27.303 46 2HE2 GLN 7 HE22 GLN 7 -9.179 -5.320 28.805 47 H ALA 8 HN ALA 8 -8.662 -5.300 25.190 48 HA ALA 8 HA ALA 8 -7.082 -6.006 23.594 49 1HB ALA 8 HB1 ALA 8 -9.552 -7.643 23.605 50 2HB ALA 8 HB2 ALA 8 -7.888 -8.105 23.961 51 3HB ALA 8 HB3 ALA 8 -8.421 -7.949 22.287 52 H LEU 9 HN LEU 9 -7.089 -3.955 22.368 53 HA LEU 9 HA LEU 9 -8.668 -3.882 19.926 54 1HB LEU 9 HB2 LEU 9 -7.294 -1.771 19.532 55 2HB LEU 9 HB1 LEU 9 -8.345 -1.762 20.949 56 HG LEU 9 HG LEU 9 -5.635 -2.840 21.422 57 1HD1 LEU 9 HD11 LEU 9 -6.117 0.052 20.663 58 2HD1 LEU 9 HD12 LEU 9 -4.962 -1.068 19.942 59 3HD1 LEU 9 HD13 LEU 9 -4.711 -0.480 21.585 60 1HD2 LEU 9 HD21 LEU 9 -5.890 -1.624 23.492 61 2HD2 LEU 9 HD22 LEU 9 -7.439 -2.392 23.145 62 3HD2 LEU 9 HD23 LEU 9 -7.217 -0.671 22.830 63 H ALA 10 HN ALA 10 -7.948 -4.297 17.896 64 HA ALA 10 HA ALA 10 -5.671 -5.957 17.543 65 1HB ALA 10 HB1 ALA 10 -7.673 -4.663 15.741 66 2HB ALA 10 HB2 ALA 10 -7.260 -6.368 15.921 67 3HB ALA 10 HB3 ALA 10 -6.186 -5.290 15.029 68 H GLN 11 HN GLN 11 -3.738 -5.520 16.353 69 HA GLN 11 HA GLN 11 -2.691 -2.871 16.874 70 1HB GLN 11 HB2 GLN 11 -1.322 -5.141 15.418 71 2HB GLN 11 HB1 GLN 11 -0.563 -3.765 16.215 72 1HG GLN 11 HG2 GLN 11 -2.038 -4.798 18.265 73 2HG GLN 11 HG1 GLN 11 -1.627 -6.263 17.375 74 1HE2 GLN 11 HE21 GLN 11 0.905 -4.615 16.441 75 2HE2 GLN 11 HE22 GLN 11 1.972 -4.820 17.746 76 HA PRO 12 HA PRO 12 -3.469 -0.913 13.024 77 1HB PRO 12 HB2 PRO 12 -0.773 0.013 12.666 78 2HB PRO 12 HB1 PRO 12 -2.177 0.928 13.234 79 1HG PRO 12 HG2 PRO 12 0.034 -0.178 14.746 80 2HG PRO 12 HG1 PRO 12 -1.193 0.995 15.241 81 1HD PRO 12 HD2 PRO 12 -1.042 -1.622 16.155 82 2HD PRO 12 HD1 PRO 12 -2.500 -0.610 16.212 83 H LEU 13 HN LEU 13 -2.903 -1.010 10.747 84 HA LEU 13 HA LEU 13 -1.869 -3.596 9.984 85 1HB LEU 13 HB2 LEU 13 -3.837 -2.381 8.903 86 2HB LEU 13 HB1 LEU 13 -2.643 -1.326 8.155 87 HG LEU 13 HG LEU 13 -2.581 -4.338 7.895 88 1HD1 LEU 13 HD11 LEU 13 -4.072 -2.214 6.436 89 2HD1 LEU 13 HD12 LEU 13 -4.492 -3.911 6.686 90 3HD1 LEU 13 HD13 LEU 13 -3.308 -3.468 5.454 91 1HD2 LEU 13 HD21 LEU 13 -1.338 -3.226 5.717 92 2HD2 LEU 13 HD22 LEU 13 -0.493 -3.766 7.166 93 3HD2 LEU 13 HD23 LEU 13 -0.924 -2.067 6.977 94 H LEU 14 HN LEU 14 0.135 -4.037 9.184 95 HA LEU 14 HA LEU 14 2.024 -1.807 9.095 96 1HB LEU 14 HB2 LEU 14 2.481 -4.797 8.991 97 2HB LEU 14 HB1 LEU 14 3.725 -3.561 9.147 98 HG LEU 14 HG LEU 14 1.536 -4.224 11.125 99 1HD1 LEU 14 HD11 LEU 14 4.564 -4.244 11.277 100 2HD1 LEU 14 HD12 LEU 14 3.506 -5.655 11.275 101 3HD1 LEU 14 HD13 LEU 14 3.492 -4.543 12.644 102 1HD2 LEU 14 HD21 LEU 14 2.779 -2.349 12.455 103 2HD2 LEU 14 HD22 LEU 14 1.597 -1.875 11.234 104 3HD2 LEU 14 HD23 LEU 14 3.322 -1.811 10.866 105 H LEU 15 HN LEU 15 2.178 -0.825 7.241 106 HA LEU 15 HA LEU 15 2.278 -2.417 4.754 107 1HB LEU 15 HB2 LEU 15 0.128 -1.074 5.213 108 2HB LEU 15 HB1 LEU 15 1.115 0.364 4.985 109 HG LEU 15 HG LEU 15 -0.070 -0.324 2.913 110 1HD1 LEU 15 HD11 LEU 15 2.783 -0.867 2.296 111 2HD1 LEU 15 HD12 LEU 15 2.434 0.627 3.161 112 3HD1 LEU 15 HD13 LEU 15 1.684 0.319 1.597 113 1HD2 LEU 15 HD21 LEU 15 0.079 -2.425 2.022 114 2HD2 LEU 15 HD22 LEU 15 0.456 -2.872 3.682 115 3HD2 LEU 15 HD23 LEU 15 1.761 -2.630 2.519 116 H GLN 16 HN GLN 16 4.004 -1.974 3.431 117 HA GLN 16 HA GLN 16 5.540 0.479 4.023 118 1HB GLN 16 HB2 GLN 16 6.565 -2.340 3.819 119 2HB GLN 16 HB1 GLN 16 7.615 -0.952 3.521 120 1HG GLN 16 HG2 GLN 16 7.146 -0.052 5.719 121 2HG GLN 16 HG1 GLN 16 5.955 -1.316 6.028 122 1HE2 GLN 16 HE21 GLN 16 8.031 -1.112 7.857 123 2HE2 GLN 16 HE22 GLN 16 9.124 -2.395 7.652 124 H LEU 17 HN LEU 17 6.839 1.280 2.324 125 HA LEU 17 HA LEU 17 6.187 0.239 -0.353 126 1HB LEU 17 HB2 LEU 17 4.740 2.197 0.206 127 2HB LEU 17 HB1 LEU 17 6.200 3.165 0.399 128 HG LEU 17 HG LEU 17 6.815 2.353 -1.981 129 1HD1 LEU 17 HD11 LEU 17 4.551 2.042 -3.275 130 2HD1 LEU 17 HD12 LEU 17 3.940 1.510 -1.710 131 3HD1 LEU 17 HD13 LEU 17 5.281 0.656 -2.469 132 1HD2 LEU 17 HD21 LEU 17 5.031 4.463 -1.031 133 2HD2 LEU 17 HD22 LEU 17 4.719 4.039 -2.714 134 3HD2 LEU 17 HD23 LEU 17 6.333 4.549 -2.217 135 H PHE 18 HN PHE 18 7.889 0.075 -1.679 136 HA PHE 18 HA PHE 18 10.476 1.102 -0.724 137 1HB PHE 18 HB2 PHE 18 9.725 -0.983 -2.781 138 2HB PHE 18 HB1 PHE 18 11.378 -0.422 -2.534 139 HD1 PHE 18 HD1 PHE 18 8.569 -2.308 -1.069 140 HD2 PHE 18 HD2 PHE 18 12.589 -0.926 -0.485 141 HE1 PHE 18 HE1 PHE 18 8.832 -3.870 0.842 142 HE2 PHE 18 HE2 PHE 18 12.858 -2.476 1.415 143 HZ PHE 18 HZ PHE 18 10.978 -3.956 2.086 144 H VAL 19 HN VAL 19 11.302 2.903 -1.611 145 HA VAL 19 HA VAL 19 10.555 3.530 -4.406 146 HB VAL 19 HB VAL 19 10.189 5.838 -3.868 147 1HG1 VAL 19 HG11 VAL 19 8.836 4.179 -1.720 148 2HG1 VAL 19 HG12 VAL 19 8.333 4.199 -3.412 149 3HG1 VAL 19 HG13 VAL 19 8.235 5.671 -2.444 150 1HG2 VAL 19 HG21 VAL 19 11.803 6.345 -2.222 151 2HG2 VAL 19 HG22 VAL 19 11.291 5.014 -1.183 152 3HG2 VAL 19 HG23 VAL 19 10.279 6.450 -1.343 153 H ASP 20 HN ASP 20 12.044 4.793 -5.574 154 HA ASP 20 HA ASP 20 14.792 4.617 -4.545 155 1HB ASP 20 HB2 ASP 20 15.424 4.989 -6.953 156 2HB ASP 20 HB1 ASP 20 14.545 3.494 -6.645 157 H THR 21 HN THR 21 12.692 6.700 -3.961 158 HA THR 21 HA THR 21 12.733 8.926 -3.428 159 HB THR 21 HB THR 21 14.752 10.151 -3.453 160 HG1 THR 21 HG1 THR 21 16.043 8.286 -5.083 161 1HG2 THR 21 HG21 THR 21 15.086 8.550 -1.806 162 2HG2 THR 21 HG22 THR 21 16.485 8.259 -2.839 163 3HG2 THR 21 HG23 THR 21 15.072 7.212 -2.953 164 H ARG 22 HN ARG 22 12.509 7.704 -6.435 165 HA ARG 22 HA ARG 22 12.732 10.089 -8.024 166 1HB ARG 22 HB2 ARG 22 11.594 8.766 -9.769 167 2HB ARG 22 HB1 ARG 22 12.931 7.866 -9.052 168 1HG ARG 22 HG2 ARG 22 11.345 6.695 -7.568 169 2HG ARG 22 HG1 ARG 22 10.015 7.587 -8.297 170 1HD ARG 22 HD2 ARG 22 11.889 5.748 -9.802 171 2HD ARG 22 HD1 ARG 22 10.259 5.326 -9.286 172 HE ARG 22 HE ARG 22 9.876 7.597 -10.737 173 1HH1 ARG 22 HH21 ARG 22 9.346 4.621 -11.583 174 2HH1 ARG 22 HH22 ARG 22 10.052 4.630 -13.164 175 1HH2 ARG 22 HH11 ARG 22 11.749 7.611 -12.683 176 2HH2 ARG 22 HH12 ARG 22 11.411 6.320 -13.785 177 HA PRO 23 HA PRO 23 9.041 12.203 -6.935 178 1HB PRO 23 HB2 PRO 23 8.279 12.809 -9.632 179 2HB PRO 23 HB1 PRO 23 9.069 13.867 -8.456 180 1HG PRO 23 HG2 PRO 23 10.190 12.482 -10.728 181 2HG PRO 23 HG1 PRO 23 10.895 13.764 -9.735 182 1HD PRO 23 HD2 PRO 23 11.721 11.098 -9.735 183 2HD PRO 23 HD1 PRO 23 12.070 12.277 -8.453 184 H LEU 24 HN LEU 24 8.825 10.005 -9.725 185 HA LEU 24 HA LEU 24 6.064 9.694 -9.869 186 1HB LEU 24 HB2 LEU 24 7.665 8.753 -11.503 187 2HB LEU 24 HB1 LEU 24 8.164 7.558 -10.306 188 HG LEU 24 HG LEU 24 5.662 6.939 -10.159 189 1HD1 LEU 24 HD11 LEU 24 4.483 7.387 -12.366 190 2HD1 LEU 24 HD12 LEU 24 5.744 8.572 -12.707 191 3HD1 LEU 24 HD13 LEU 24 4.677 8.794 -11.321 192 1HD2 LEU 24 HD21 LEU 24 5.883 5.404 -12.050 193 2HD2 LEU 24 HD22 LEU 24 7.435 5.554 -11.227 194 3HD2 LEU 24 HD23 LEU 24 7.156 6.408 -12.744 195 H SER 25 HN SER 25 8.414 7.985 -7.820 196 HA SER 25 HA SER 25 6.562 6.206 -6.620 197 1HB SER 25 HB2 SER 25 8.294 5.781 -4.989 198 2HB SER 25 HB1 SER 25 9.060 5.948 -6.567 199 HG SER 25 HG SER 25 10.224 7.345 -5.466 200 H GLN 26 HN GLN 26 7.793 9.408 -5.763 201 HA GLN 26 HA GLN 26 6.381 9.671 -3.304 202 1HB GLN 26 HB2 GLN 26 7.348 11.778 -5.264 203 2HB GLN 26 HB1 GLN 26 6.787 12.103 -3.623 204 1HG GLN 26 HG2 GLN 26 8.581 10.719 -2.703 205 2HG GLN 26 HG1 GLN 26 9.116 10.295 -4.328 206 1HE2 GLN 26 HE21 GLN 26 10.994 11.511 -2.690 207 2HE2 GLN 26 HE22 GLN 26 11.254 13.114 -3.184 208 H HIS 27 HN HIS 27 5.704 10.178 -6.659 209 HA HIS 27 HA HIS 27 3.232 11.559 -6.491 210 1HB HIS 27 HB2 HIS 27 4.937 10.918 -8.470 211 2HB HIS 27 HB1 HIS 27 3.770 9.617 -8.687 212 HD1 HIS 27 HD1 HIS 27 1.269 11.438 -7.794 213 HD2 HIS 27 HD2 HIS 27 4.108 12.343 -10.713 214 HE1 HIS 27 HE1 HIS 27 0.179 13.119 -9.348 215 H ILE 28 HN ILE 28 4.047 8.150 -7.073 216 HA ILE 28 HA ILE 28 1.410 7.139 -6.913 217 HB ILE 28 HB ILE 28 4.080 5.787 -6.438 218 1HG1 ILE 28 HG12 ILE 28 2.244 5.811 -8.856 219 2HG1 ILE 28 HG11 ILE 28 3.711 6.778 -8.705 220 1HG2 ILE 28 HG21 ILE 28 2.586 4.282 -5.474 221 2HG2 ILE 28 HG22 ILE 28 2.523 3.768 -7.159 222 3HG2 ILE 28 HG23 ILE 28 1.248 4.794 -6.502 223 1HD1 ILE 28 HD11 ILE 28 3.498 4.098 -9.605 224 2HD1 ILE 28 HD12 ILE 28 4.308 4.041 -8.040 225 3HD1 ILE 28 HD13 ILE 28 4.973 5.027 -9.342 226 H VAL 29 HN VAL 29 3.909 7.783 -4.533 227 HA VAL 29 HA VAL 29 2.879 6.355 -2.366 228 HB VAL 29 HB VAL 29 4.408 8.960 -2.473 229 1HG1 VAL 29 HG11 VAL 29 3.526 7.271 -0.119 230 2HG1 VAL 29 HG12 VAL 29 3.206 8.987 -0.390 231 3HG1 VAL 29 HG13 VAL 29 4.843 8.441 -0.022 232 1HG2 VAL 29 HG21 VAL 29 5.146 6.298 -2.919 233 2HG2 VAL 29 HG22 VAL 29 5.642 6.609 -1.256 234 3HG2 VAL 29 HG23 VAL 29 6.243 7.630 -2.560 235 H GLN 30 HN GLN 30 2.126 9.619 -3.542 236 HA GLN 30 HA GLN 30 0.303 10.305 -1.500 237 1HB GLN 30 HB2 GLN 30 0.431 11.145 -4.404 238 2HB GLN 30 HB1 GLN 30 -0.691 11.842 -3.234 239 1HG GLN 30 HG2 GLN 30 1.694 11.966 -1.884 240 2HG GLN 30 HG1 GLN 30 2.195 12.275 -3.544 241 1HE2 GLN 30 HE21 GLN 30 0.518 13.602 -0.797 242 2HE2 GLN 30 HE22 GLN 30 0.091 15.077 -1.513 243 H ARG 31 HN ARG 31 -0.065 8.606 -4.580 244 HA ARG 31 HA ARG 31 -2.868 8.304 -4.481 245 1HB ARG 31 HB2 ARG 31 -0.732 6.602 -5.752 246 2HB ARG 31 HB1 ARG 31 -2.465 6.327 -5.967 247 1HG ARG 31 HG2 ARG 31 -2.698 8.686 -6.750 248 2HG ARG 31 HG1 ARG 31 -0.946 8.855 -6.652 249 1HD ARG 31 HD2 ARG 31 -1.483 8.316 -8.921 250 2HD ARG 31 HD1 ARG 31 -0.749 6.893 -8.194 251 HE ARG 31 HE ARG 31 -2.719 6.002 -9.150 252 1HH1 ARG 31 HH11 ARG 31 -3.991 8.932 -8.683 253 2HH1 ARG 31 HH12 ARG 31 -5.391 8.457 -7.779 254 1HH2 ARG 31 HH21 ARG 31 -4.258 5.227 -7.218 255 2HH2 ARG 31 HH22 ARG 31 -5.541 6.359 -6.951 256 H VAL 32 HN VAL 32 -0.197 6.396 -3.184 257 HA VAL 32 HA VAL 32 -1.765 4.268 -2.134 258 HB VAL 32 HB VAL 32 0.951 5.350 -1.333 259 1HG1 VAL 32 HG11 VAL 32 1.264 3.293 -0.094 260 2HG1 VAL 32 HG12 VAL 32 -0.311 2.690 -0.611 261 3HG1 VAL 32 HG13 VAL 32 -0.210 4.063 0.491 262 1HG2 VAL 32 HG21 VAL 32 0.154 2.916 -2.961 263 2HG2 VAL 32 HG22 VAL 32 1.799 3.455 -2.624 264 3HG2 VAL 32 HG23 VAL 32 0.742 4.432 -3.644 265 H LYS 33 HN LYS 33 -0.390 7.210 -0.681 266 HA LYS 33 HA LYS 33 -1.472 6.881 1.895 267 1HB LYS 33 HB2 LYS 33 -0.665 9.368 0.375 268 2HB LYS 33 HB1 LYS 33 -1.082 9.340 2.085 269 1HG LYS 33 HG2 LYS 33 0.711 7.617 2.440 270 2HG LYS 33 HG1 LYS 33 1.189 7.842 0.755 271 1HD LYS 33 HD2 LYS 33 1.543 10.260 1.207 272 2HD LYS 33 HD1 LYS 33 1.148 9.978 2.902 273 1HE LYS 33 HE2 LYS 33 3.181 9.067 3.345 274 2HE LYS 33 HE1 LYS 33 3.202 8.158 1.836 275 1HZ LYS 33 HZ1 LYS 33 3.406 10.757 1.049 276 2HZ LYS 33 HZ2 LYS 33 4.687 9.645 1.150 277 3HZ LYS 33 HZ3 LYS 33 4.367 10.698 2.445 278 H ASN 34 HN ASN 34 -2.669 8.555 -0.974 279 HA ASN 34 HA ASN 34 -4.940 9.734 0.183 280 1HB ASN 34 HB2 ASN 34 -4.403 8.867 -2.662 281 2HB ASN 34 HB1 ASN 34 -5.716 9.926 -2.159 282 1HD2 ASN 34 HD21 ASN 34 -2.978 10.308 -3.733 283 2HD2 ASN 34 HD22 ASN 34 -2.349 11.718 -3.026 284 H ILE 35 HN ILE 35 -4.549 6.615 -1.488 285 HA ILE 35 HA ILE 35 -7.296 5.907 -1.404 286 HB ILE 35 HB ILE 35 -4.817 4.215 -1.640 287 1HG1 ILE 35 HG12 ILE 35 -6.873 4.992 -3.724 288 2HG1 ILE 35 HG11 ILE 35 -5.387 5.901 -3.461 289 1HG2 ILE 35 HG21 ILE 35 -6.921 2.808 -2.747 290 2HG2 ILE 35 HG22 ILE 35 -7.645 3.512 -1.301 291 3HG2 ILE 35 HG23 ILE 35 -6.212 2.494 -1.163 292 1HD1 ILE 35 HD11 ILE 35 -4.671 3.152 -3.635 293 2HD1 ILE 35 HD12 ILE 35 -4.287 4.443 -4.773 294 3HD1 ILE 35 HD13 ILE 35 -5.760 3.495 -4.979 295 H LEU 36 HN LEU 36 -4.559 4.859 0.656 296 HA LEU 36 HA LEU 36 -6.098 3.267 2.393 297 1HB LEU 36 HB2 LEU 36 -3.556 4.800 2.998 298 2HB LEU 36 HB1 LEU 36 -4.216 3.481 3.964 299 HG LEU 36 HG LEU 36 -3.222 3.326 1.107 300 1HD1 LEU 36 HD11 LEU 36 -1.564 1.818 2.013 301 2HD1 LEU 36 HD12 LEU 36 -2.340 1.843 3.597 302 3HD1 LEU 36 HD13 LEU 36 -1.541 3.290 2.983 303 1HD2 LEU 36 HD21 LEU 36 -3.742 0.794 1.611 304 2HD2 LEU 36 HD22 LEU 36 -5.035 1.857 1.056 305 3HD2 LEU 36 HD23 LEU 36 -4.893 1.463 2.769 306 H ALA 37 HN ALA 37 -5.256 6.692 2.477 307 HA ALA 37 HA ALA 37 -6.509 7.213 4.993 308 1HB ALA 37 HB1 ALA 37 -5.613 8.982 2.715 309 2HB ALA 37 HB2 ALA 37 -4.846 8.766 4.289 310 3HB ALA 37 HB3 ALA 37 -6.382 9.623 4.166 311 H ALA 38 HN ALA 38 -7.670 6.521 1.904 312 HA ALA 38 HA ALA 38 -10.100 8.100 2.145 313 1HB ALA 38 HB1 ALA 38 -10.348 6.241 0.035 314 2HB ALA 38 HB2 ALA 38 -8.678 6.806 0.015 315 3HB ALA 38 HB3 ALA 38 -10.002 7.966 -0.083 316 H VAL 39 HN VAL 39 -9.172 5.561 3.796 317 HA VAL 39 HA VAL 39 -11.885 4.530 4.008 318 HB VAL 39 HB VAL 39 -10.565 3.141 2.296 319 1HG1 VAL 39 HG11 VAL 39 -9.352 1.951 4.794 320 2HG1 VAL 39 HG12 VAL 39 -8.503 3.159 3.832 321 3HG1 VAL 39 HG13 VAL 39 -8.942 1.610 3.113 322 1HG2 VAL 39 HG21 VAL 39 -11.360 0.970 3.531 323 2HG2 VAL 39 HG22 VAL 39 -12.560 2.173 3.059 324 3HG2 VAL 39 HG23 VAL 39 -11.997 2.096 4.728 325 H GLU 40 HN GLU 40 -8.604 4.728 5.228 326 HA GLU 40 HA GLU 40 -7.728 4.187 7.319 327 1HB GLU 40 HB2 GLU 40 -10.212 5.773 8.024 328 2HB GLU 40 HB1 GLU 40 -8.815 5.533 9.075 329 1HG GLU 40 HG2 GLU 40 -7.370 6.625 7.385 330 2HG GLU 40 HG1 GLU 40 -8.784 6.899 6.368 331 H ALA 41 HN ALA 41 -11.066 4.268 8.434 332 HA ALA 41 HA ALA 41 -12.466 2.541 9.136 333 1HB ALA 41 HB1 ALA 41 -10.309 0.490 8.971 334 2HB ALA 41 HB2 ALA 41 -10.945 1.139 7.460 335 3HB ALA 41 HB3 ALA 41 -12.029 0.348 8.605 336 H THR 42 HN THR 42 -12.150 0.623 10.928 337 HA THR 42 HA THR 42 -11.265 2.023 13.270 338 HB THR 42 HB THR 42 -12.011 0.047 14.481 339 HG1 THR 42 HG1 THR 42 -12.585 -1.798 13.365 340 1HG2 THR 42 HG21 THR 42 -14.316 0.052 13.805 341 2HG2 THR 42 HG22 THR 42 -13.890 0.521 12.159 342 3HG2 THR 42 HG23 THR 42 -13.679 1.666 13.483 343 H VAL 43 HN VAL 43 -9.606 0.319 10.947 344 HA VAL 43 HA VAL 43 -7.467 -0.412 12.847 345 HB VAL 43 HB VAL 43 -6.843 -2.028 10.925 346 1HG1 VAL 43 HG11 VAL 43 -9.270 -2.421 12.694 347 2HG1 VAL 43 HG12 VAL 43 -7.599 -2.822 13.091 348 3HG1 VAL 43 HG13 VAL 43 -8.450 -3.728 11.841 349 1HG2 VAL 43 HG21 VAL 43 -9.799 -1.876 10.377 350 2HG2 VAL 43 HG22 VAL 43 -8.538 -2.644 9.412 351 3HG2 VAL 43 HG23 VAL 43 -8.662 -0.885 9.461 352 HA PRO 44 HA PRO 44 -6.080 3.048 9.946 353 1HB PRO 44 HB2 PRO 44 -4.112 3.648 11.958 354 2HB PRO 44 HB1 PRO 44 -5.492 4.633 11.453 355 1HG PRO 44 HG2 PRO 44 -5.178 2.968 13.809 356 2HG PRO 44 HG1 PRO 44 -6.387 4.211 13.461 357 1HD PRO 44 HD2 PRO 44 -6.915 1.502 13.564 358 2HD PRO 44 HD1 PRO 44 -7.912 2.681 12.689 359 H ILE 45 HN ILE 45 -4.235 2.975 8.640 360 HA ILE 45 HA ILE 45 -2.530 0.610 9.050 361 HB ILE 45 HB ILE 45 -2.770 2.269 6.541 362 1HG1 ILE 45 HG12 ILE 45 -4.143 -0.029 6.022 363 2HG1 ILE 45 HG11 ILE 45 -4.569 0.224 7.716 364 1HG2 ILE 45 HG21 ILE 45 -2.203 -0.499 6.124 365 2HG2 ILE 45 HG22 ILE 45 -1.117 0.081 7.390 366 3HG2 ILE 45 HG23 ILE 45 -1.149 0.880 5.817 367 1HD1 ILE 45 HD11 ILE 45 -6.193 1.553 6.780 368 2HD1 ILE 45 HD12 ILE 45 -5.246 1.868 5.326 369 3HD1 ILE 45 HD13 ILE 45 -4.894 2.745 6.815 370 H SER 46 HN SER 46 -0.333 0.733 9.117 371 HA SER 46 HA SER 46 0.810 3.433 9.429 372 1HB SER 46 HB2 SER 46 1.115 1.842 11.314 373 2HB SER 46 HB1 SER 46 1.949 0.736 10.225 374 HG SER 46 HG SER 46 2.968 3.216 10.015 375 H LEU 47 HN LEU 47 1.576 4.168 7.525 376 HA LEU 47 HA LEU 47 2.765 2.254 5.646 377 1HB LEU 47 HB2 LEU 47 0.997 4.136 5.098 378 2HB LEU 47 HB1 LEU 47 2.429 5.161 5.029 379 HG LEU 47 HG LEU 47 1.806 2.721 3.355 380 1HD1 LEU 47 HD11 LEU 47 0.923 4.638 2.328 381 2HD1 LEU 47 HD12 LEU 47 2.505 4.471 1.569 382 3HD1 LEU 47 HD13 LEU 47 2.267 5.652 2.855 383 1HD2 LEU 47 HD21 LEU 47 4.446 4.121 3.824 384 2HD2 LEU 47 HD22 LEU 47 4.124 3.189 2.361 385 3HD2 LEU 47 HD23 LEU 47 4.097 2.395 3.932 386 H GLN 48 HN GLN 48 4.891 2.027 5.521 387 HA GLN 48 HA GLN 48 6.611 4.286 6.322 388 1HB GLN 48 HB2 GLN 48 6.628 1.447 7.188 389 2HB GLN 48 HB1 GLN 48 8.196 2.182 6.862 390 1HG GLN 48 HG2 GLN 48 6.091 3.444 8.635 391 2HG GLN 48 HG1 GLN 48 7.393 2.427 9.248 392 1HE2 GLN 48 HE21 GLN 48 6.663 5.583 9.083 393 2HE2 GLN 48 HE22 GLN 48 8.199 6.251 8.807 394 H VAL 49 HN VAL 49 8.079 4.863 4.843 395 HA VAL 49 HA VAL 49 8.279 3.240 2.404 396 HB VAL 49 HB VAL 49 9.278 6.055 2.869 397 1HG1 VAL 49 HG11 VAL 49 8.771 5.777 0.209 398 2HG1 VAL 49 HG12 VAL 49 9.278 4.139 0.616 399 3HG1 VAL 49 HG13 VAL 49 10.352 5.499 0.939 400 1HG2 VAL 49 HG21 VAL 49 7.041 6.523 2.954 401 2HG2 VAL 49 HG22 VAL 49 6.591 4.957 2.280 402 3HG2 VAL 49 HG23 VAL 49 7.112 6.259 1.211 403 H ILE 50 HN ILE 50 10.135 2.361 1.698 404 HA ILE 50 HA ILE 50 12.515 2.709 3.412 405 HB ILE 50 HB ILE 50 11.802 0.312 1.707 406 1HG1 ILE 50 HG12 ILE 50 11.398 0.870 4.658 407 2HG1 ILE 50 HG11 ILE 50 10.163 0.464 3.469 408 1HG2 ILE 50 HG21 ILE 50 14.246 1.050 2.597 409 2HG2 ILE 50 HG22 ILE 50 13.746 -0.634 2.454 410 3HG2 ILE 50 HG23 ILE 50 13.666 0.178 4.016 411 1HD1 ILE 50 HD11 ILE 50 11.907 -1.643 3.204 412 2HD1 ILE 50 HD12 ILE 50 10.445 -1.669 4.187 413 3HD1 ILE 50 HD13 ILE 50 12.001 -1.308 4.932 414 H ASN 51 HN ASN 51 14.218 3.626 2.447 415 HA ASN 51 HA ASN 51 14.097 4.228 -0.375 416 1HB ASN 51 HB2 ASN 51 16.106 4.887 1.789 417 2HB ASN 51 HB1 ASN 51 16.260 5.416 0.118 418 1HD2 ASN 51 HD21 ASN 51 13.908 6.374 -0.673 419 2HD2 ASN 51 HD22 ASN 51 13.279 7.536 0.391 420 H VAL 52 HN VAL 52 14.517 2.471 -1.631 421 HA VAL 52 HA VAL 52 16.232 0.342 -1.010 422 HB VAL 52 HB VAL 52 16.063 -0.272 -3.345 423 1HG1 VAL 52 HG11 VAL 52 13.400 0.818 -3.298 424 2HG1 VAL 52 HG12 VAL 52 13.861 0.358 -1.661 425 3HG1 VAL 52 HG13 VAL 52 13.914 -0.833 -2.960 426 1HG2 VAL 52 HG21 VAL 52 16.118 1.323 -4.938 427 2HG2 VAL 52 HG22 VAL 52 16.001 2.574 -3.701 428 3HG2 VAL 52 HG23 VAL 52 14.536 1.896 -4.411 429 H ALA 53 HN ALA 53 16.942 3.534 -2.052 430 HA ALA 53 HA ALA 53 19.472 2.995 -3.270 431 1HB ALA 53 HB1 ALA 53 18.309 5.043 -3.824 432 2HB ALA 53 HB2 ALA 53 19.812 5.460 -3.001 433 3HB ALA 53 HB3 ALA 53 18.279 5.533 -2.131 434 H ASP 54 HN ASP 54 18.337 3.537 -0.004 435 HA ASP 54 HA ASP 54 21.099 3.723 0.945 436 1HB ASP 54 HB2 ASP 54 18.464 4.221 2.333 437 2HB ASP 54 HB1 ASP 54 20.031 4.298 3.136 438 H GLN 55 HN GLN 55 18.298 1.620 0.991 439 HA GLN 55 HA GLN 55 19.941 -0.399 2.364 440 1HB GLN 55 HB2 GLN 55 17.919 -1.067 3.688 441 2HB GLN 55 HB1 GLN 55 18.573 0.518 4.101 442 1HG GLN 55 HG2 GLN 55 16.890 1.506 2.472 443 2HG GLN 55 HG1 GLN 55 16.128 -0.084 2.431 444 1HE2 GLN 55 HE21 GLN 55 15.232 2.617 3.641 445 2HE2 GLN 55 HE22 GLN 55 14.804 2.214 5.234 446 HA PRO 56 HA PRO 56 17.837 -2.230 -1.316 447 1HB PRO 56 HB2 PRO 56 20.415 -3.181 -2.174 448 2HB PRO 56 HB1 PRO 56 19.393 -1.954 -2.942 449 1HG PRO 56 HG2 PRO 56 21.819 -1.463 -1.746 450 2HG PRO 56 HG1 PRO 56 20.559 -0.250 -2.024 451 1HD PRO 56 HD2 PRO 56 21.257 -1.699 0.504 452 2HD PRO 56 HD1 PRO 56 20.694 -0.027 0.278 453 H GLN 57 HN GLN 57 19.681 -3.338 1.303 454 HA GLN 57 HA GLN 57 20.036 -6.066 0.654 455 1HB GLN 57 HB2 GLN 57 21.229 -4.900 2.482 456 2HB GLN 57 HB1 GLN 57 19.722 -4.835 3.395 457 1HG GLN 57 HG2 GLN 57 19.595 -7.349 3.198 458 2HG GLN 57 HG1 GLN 57 21.219 -7.315 2.513 459 1HE2 GLN 57 HE21 GLN 57 22.811 -7.665 4.057 460 2HE2 GLN 57 HE22 GLN 57 22.696 -7.230 5.694 461 H LEU 58 HN LEU 58 17.412 -4.456 2.504 462 HA LEU 58 HA LEU 58 16.053 -6.939 2.926 463 1HB LEU 58 HB2 LEU 58 14.082 -5.189 3.368 464 2HB LEU 58 HB1 LEU 58 15.350 -5.500 4.551 465 HG LEU 58 HG LEU 58 16.592 -3.565 3.821 466 1HD1 LEU 58 HD11 LEU 58 15.283 -2.117 2.028 467 2HD1 LEU 58 HD12 LEU 58 14.637 -3.692 1.564 468 3HD1 LEU 58 HD13 LEU 58 16.371 -3.406 1.527 469 1HD2 LEU 58 HD21 LEU 58 15.035 -1.801 4.427 470 2HD2 LEU 58 HD22 LEU 58 14.637 -3.233 5.375 471 3HD2 LEU 58 HD23 LEU 58 13.658 -2.807 3.971 472 H VAL 59 HN VAL 59 16.214 -4.674 0.337 473 HA VAL 59 HA VAL 59 13.714 -5.164 -0.912 474 HB VAL 59 HB VAL 59 16.372 -4.467 -2.195 475 1HG1 VAL 59 HG11 VAL 59 14.544 -5.272 -3.713 476 2HG1 VAL 59 HG12 VAL 59 15.012 -3.599 -4.007 477 3HG1 VAL 59 HG13 VAL 59 13.533 -3.959 -3.116 478 1HG2 VAL 59 HG21 VAL 59 14.181 -2.767 -0.970 479 2HG2 VAL 59 HG22 VAL 59 15.408 -2.123 -2.059 480 3HG2 VAL 59 HG23 VAL 59 15.882 -2.815 -0.512 481 H GLU 60 HN GLU 60 16.933 -6.661 -1.273 482 HA GLU 60 HA GLU 60 16.061 -8.633 -3.166 483 1HB GLU 60 HB2 GLU 60 18.479 -8.517 -1.345 484 2HB GLU 60 HB1 GLU 60 18.221 -9.758 -2.571 485 1HG GLU 60 HG2 GLU 60 18.096 -7.996 -4.309 486 2HG GLU 60 HG1 GLU 60 18.409 -6.774 -3.078 487 H TYR 61 HN TYR 61 16.277 -8.439 0.332 488 HA TYR 61 HA TYR 61 15.934 -11.128 1.011 489 1HB TYR 61 HB2 TYR 61 16.430 -9.391 2.673 490 2HB TYR 61 HB1 TYR 61 14.843 -8.669 2.400 491 HD1 TYR 61 HD1 TYR 61 16.525 -11.821 3.491 492 HD2 TYR 61 HD2 TYR 61 12.943 -9.450 3.532 493 HE1 TYR 61 HE1 TYR 61 15.518 -13.374 5.142 494 HE2 TYR 61 HE2 TYR 61 11.933 -11.006 5.184 495 HH TYR 61 HH TYR 61 13.379 -12.883 7.064 496 H TYR 62 HN TYR 62 13.585 -8.630 0.189 497 HA TYR 62 HA TYR 62 11.333 -10.445 0.444 498 1HB TYR 62 HB2 TYR 62 11.586 -7.591 -0.523 499 2HB TYR 62 HB1 TYR 62 10.063 -8.458 -0.394 500 HD1 TYR 62 HD1 TYR 62 12.056 -6.155 1.220 501 HD2 TYR 62 HD2 TYR 62 9.896 -9.779 2.020 502 HE1 TYR 62 HE1 TYR 62 11.938 -5.551 3.619 503 HE2 TYR 62 HE2 TYR 62 9.777 -9.178 4.422 504 HH TYR 62 HH TYR 62 11.448 -7.506 5.982 505 H ARG 63 HN ARG 63 13.689 -10.587 -1.592 506 HA ARG 63 HA ARG 63 13.983 -11.203 -3.783 507 1HB ARG 63 HB2 ARG 63 11.049 -11.916 -3.507 508 2HB ARG 63 HB1 ARG 63 12.078 -12.402 -4.854 509 1HG ARG 63 HG2 ARG 63 12.853 -13.029 -2.007 510 2HG ARG 63 HG1 ARG 63 11.761 -14.085 -2.903 511 1HD ARG 63 HD2 ARG 63 14.562 -13.291 -3.759 512 2HD ARG 63 HD1 ARG 63 14.081 -14.861 -3.131 513 HE ARG 63 HE ARG 63 13.882 -14.075 -5.812 514 1HH1 ARG 63 HH21 ARG 63 13.245 -16.767 -4.239 515 2HH1 ARG 63 HH22 ARG 63 11.686 -17.117 -4.908 516 1HH2 ARG 63 HH11 ARG 63 11.279 -13.960 -6.288 517 2HH2 ARG 63 HH12 ARG 63 10.572 -15.525 -6.071 518 H LEU 64 HN LEU 64 12.404 -8.649 -2.770 519 HA LEU 64 HA LEU 64 10.983 -7.598 -4.969 520 1HB LEU 64 HB2 LEU 64 11.146 -6.820 -2.493 521 2HB LEU 64 HB1 LEU 64 12.579 -5.946 -3.017 522 HG LEU 64 HG LEU 64 10.569 -4.528 -3.084 523 1HD1 LEU 64 HD11 LEU 64 12.523 -4.632 -4.908 524 2HD1 LEU 64 HD12 LEU 64 11.182 -3.496 -5.034 525 3HD1 LEU 64 HD13 LEU 64 11.157 -4.996 -5.962 526 1HD2 LEU 64 HD21 LEU 64 8.626 -5.135 -4.117 527 2HD2 LEU 64 HD22 LEU 64 9.245 -6.765 -3.853 528 3HD2 LEU 64 HD23 LEU 64 9.462 -5.981 -5.420 529 H VAL 65 HN VAL 65 11.695 -6.632 -6.837 530 HA VAL 65 HA VAL 65 14.534 -5.876 -7.015 531 HB VAL 65 HB VAL 65 13.386 -7.368 -9.322 532 1HG1 VAL 65 HG11 VAL 65 15.653 -7.843 -9.763 533 2HG1 VAL 65 HG12 VAL 65 16.131 -7.567 -8.087 534 3HG1 VAL 65 HG13 VAL 65 15.699 -6.202 -9.119 535 1HG2 VAL 65 HG21 VAL 65 14.323 -9.478 -8.207 536 2HG2 VAL 65 HG22 VAL 65 12.784 -8.887 -7.579 537 3HG2 VAL 65 HG23 VAL 65 14.276 -8.575 -6.693 538 H VAL 66 HN VAL 66 11.274 -5.245 -7.813 539 HA VAL 66 HA VAL 66 12.122 -3.255 -9.816 540 HB VAL 66 HB VAL 66 9.696 -3.314 -10.487 541 1HG1 VAL 66 HG11 VAL 66 10.081 -5.039 -11.985 542 2HG1 VAL 66 HG12 VAL 66 10.798 -6.081 -10.755 543 3HG1 VAL 66 HG13 VAL 66 11.726 -4.738 -11.424 544 1HG2 VAL 66 HG21 VAL 66 9.580 -5.925 -9.001 545 2HG2 VAL 66 HG22 VAL 66 8.251 -4.967 -9.657 546 3HG2 VAL 66 HG23 VAL 66 9.104 -4.421 -8.212 547 H THR 67 HN THR 67 11.501 -1.144 -9.571 548 HA THR 67 HA THR 67 9.888 -0.476 -7.209 549 HB THR 67 HB THR 67 11.473 1.506 -6.883 550 HG1 THR 67 HG1 THR 67 13.330 1.471 -7.933 551 1HG2 THR 67 HG21 THR 67 13.202 -0.038 -5.754 552 2HG2 THR 67 HG22 THR 67 12.223 -1.371 -6.368 553 3HG2 THR 67 HG23 THR 67 11.520 -0.204 -5.247 554 HA PRO 68 HA PRO 68 9.309 1.526 -6.298 555 1HB PRO 68 HB2 PRO 68 6.577 2.420 -6.490 556 2HB PRO 68 HB1 PRO 68 7.995 3.338 -5.967 557 1HG PRO 68 HG2 PRO 68 6.555 3.761 -8.293 558 2HG PRO 68 HG1 PRO 68 8.180 4.370 -7.951 559 1HD PRO 68 HD2 PRO 68 7.346 2.099 -9.678 560 2HD PRO 68 HD1 PRO 68 8.787 3.135 -9.788 561 H ALA 69 HN ALA 69 8.074 0.288 -4.765 562 HA ALA 69 HA ALA 69 6.074 -1.577 -5.808 563 1HB ALA 69 HB1 ALA 69 8.119 -2.805 -6.213 564 2HB ALA 69 HB2 ALA 69 7.320 -3.514 -4.807 565 3HB ALA 69 HB3 ALA 69 8.707 -2.448 -4.589 566 H LEU 70 HN LEU 70 4.712 -2.373 -4.181 567 HA LEU 70 HA LEU 70 5.201 -1.294 -1.473 568 1HB LEU 70 HB2 LEU 70 3.292 -0.281 -2.871 569 2HB LEU 70 HB1 LEU 70 2.467 -1.818 -2.616 570 HG LEU 70 HG LEU 70 3.615 -0.203 -0.338 571 1HD1 LEU 70 HD11 LEU 70 1.867 1.212 -0.403 572 2HD1 LEU 70 HD12 LEU 70 0.726 -0.126 -0.533 573 3HD1 LEU 70 HD13 LEU 70 1.460 0.553 -1.986 574 1HD2 LEU 70 HD21 LEU 70 2.056 -2.697 -0.668 575 2HD2 LEU 70 HD22 LEU 70 1.484 -1.612 0.595 576 3HD2 LEU 70 HD23 LEU 70 3.140 -2.209 0.633 577 H VAL 71 HN VAL 71 5.133 -2.711 0.198 578 HA VAL 71 HA VAL 71 4.057 -5.403 -0.351 579 HB VAL 71 HB VAL 71 6.608 -4.812 1.158 580 1HG1 VAL 71 HG11 VAL 71 6.833 -7.365 0.726 581 2HG1 VAL 71 HG12 VAL 71 5.094 -7.317 0.443 582 3HG1 VAL 71 HG13 VAL 71 5.744 -6.830 2.007 583 1HG2 VAL 71 HG21 VAL 71 6.929 -4.350 -1.219 584 2HG2 VAL 71 HG22 VAL 71 6.142 -5.867 -1.653 585 3HG2 VAL 71 HG23 VAL 71 7.702 -5.887 -0.831 586 H LYS 72 HN LYS 72 2.635 -6.099 1.088 587 HA LYS 72 HA LYS 72 2.329 -4.667 3.633 588 1HB LYS 72 HB2 LYS 72 0.302 -5.078 2.276 589 2HB LYS 72 HB1 LYS 72 0.591 -6.815 2.384 590 1HG LYS 72 HG2 LYS 72 0.747 -5.983 5.031 591 2HG LYS 72 HG1 LYS 72 -0.549 -4.986 4.375 592 1HD LYS 72 HD2 LYS 72 -0.474 -7.962 3.869 593 2HD LYS 72 HD1 LYS 72 -1.186 -7.303 5.341 594 1HE LYS 72 HE2 LYS 72 -2.957 -6.376 4.239 595 2HE LYS 72 HE1 LYS 72 -2.014 -6.023 2.791 596 1HZ LYS 72 HZ1 LYS 72 -1.973 -8.505 2.433 597 2HZ LYS 72 HZ2 LYS 72 -3.473 -7.742 2.198 598 3HZ LYS 72 HZ3 LYS 72 -3.176 -8.617 3.624 599 H ILE 73 HN ILE 73 2.942 -5.519 5.539 600 HA ILE 73 HA ILE 73 4.074 -8.230 5.475 601 HB ILE 73 HB ILE 73 4.898 -7.306 7.853 602 1HG1 ILE 73 HG12 ILE 73 3.552 -5.131 7.141 603 2HG1 ILE 73 HG11 ILE 73 5.096 -4.995 7.980 604 1HG2 ILE 73 HG21 ILE 73 6.398 -8.107 6.146 605 2HG2 ILE 73 HG22 ILE 73 6.947 -6.495 6.608 606 3HG2 ILE 73 HG23 ILE 73 6.045 -6.725 5.110 607 1HD1 ILE 73 HD11 ILE 73 4.844 -5.003 4.960 608 2HD1 ILE 73 HD12 ILE 73 6.273 -4.606 5.915 609 3HD1 ILE 73 HD13 ILE 73 4.878 -3.528 5.926 610 H GLY 74 HN GLY 74 1.410 -6.434 6.804 611 1HA GLY 74 HA2 GLY 74 -0.213 -8.385 7.531 612 2HA GLY 74 HA1 GLY 74 0.940 -8.478 8.856 613 HA PRO 75 HA PRO 75 -0.524 -8.969 10.406 614 1HB PRO 75 HB2 PRO 75 -3.351 -8.921 10.932 615 2HB PRO 75 HB1 PRO 75 -2.016 -8.936 12.092 616 1HG PRO 75 HG2 PRO 75 -3.752 -6.802 11.499 617 2HG PRO 75 HG1 PRO 75 -2.326 -6.777 12.541 618 1HD PRO 75 HD2 PRO 75 -2.663 -5.621 9.894 619 2HD PRO 75 HD1 PRO 75 -1.320 -5.416 11.037 620 H GLY 76 HN GLY 76 -1.569 -10.990 9.731 621 1HA GLY 76 HA2 GLY 76 -2.972 -12.243 8.265 622 2HA GLY 76 HA1 GLY 76 -3.171 -10.801 7.272 623 H SER 77 HN SER 77 -2.637 -12.412 5.545 624 HA SER 77 HA SER 77 -0.013 -13.500 5.349 625 1HB SER 77 HB2 SER 77 -1.585 -14.611 4.039 626 2HB SER 77 HB1 SER 77 -2.282 -13.117 3.423 627 HG SER 77 HG SER 77 -0.935 -14.155 1.885 628 H ARG 78 HN ARG 78 1.560 -12.977 3.724 629 HA ARG 78 HA ARG 78 2.036 -10.093 3.570 630 1HB ARG 78 HB2 ARG 78 3.823 -11.664 4.324 631 2HB ARG 78 HB1 ARG 78 3.801 -12.406 2.725 632 1HG ARG 78 HG2 ARG 78 4.385 -10.230 1.708 633 2HG ARG 78 HG1 ARG 78 4.418 -9.496 3.312 634 1HD ARG 78 HD2 ARG 78 6.693 -10.105 2.584 635 2HD ARG 78 HD1 ARG 78 6.208 -11.044 3.995 636 HE ARG 78 HE ARG 78 5.517 -12.741 2.089 637 1HH1 ARG 78 HH21 ARG 78 8.474 -11.471 3.118 638 2HH1 ARG 78 HH22 ARG 78 9.421 -12.187 1.858 639 1HH2 ARG 78 HH11 ARG 78 6.671 -13.352 0.094 640 2HH2 ARG 78 HH12 ARG 78 8.399 -13.253 0.143 641 H GLN 79 HN GLN 79 2.140 -8.941 1.662 642 HA GLN 79 HA GLN 79 1.744 -10.405 -0.862 643 1HB GLN 79 HB2 GLN 79 0.057 -8.078 0.087 644 2HB GLN 79 HB1 GLN 79 0.021 -8.748 -1.544 645 1HG GLN 79 HG2 GLN 79 -0.652 -10.936 -0.642 646 2HG GLN 79 HG1 GLN 79 -0.596 -10.285 0.995 647 1HE2 GLN 79 HE21 GLN 79 -2.938 -11.307 -0.733 648 2HE2 GLN 79 HE22 GLN 79 -4.076 -10.052 -0.650 649 H VAL 80 HN VAL 80 2.590 -9.393 -2.677 650 HA VAL 80 HA VAL 80 4.158 -6.941 -2.139 651 HB VAL 80 HB VAL 80 4.851 -9.184 -4.050 652 1HG1 VAL 80 HG11 VAL 80 6.264 -7.667 -4.928 653 2HG1 VAL 80 HG12 VAL 80 7.077 -7.574 -3.366 654 3HG1 VAL 80 HG13 VAL 80 5.763 -6.461 -3.743 655 1HG2 VAL 80 HG21 VAL 80 4.968 -9.671 -1.526 656 2HG2 VAL 80 HG22 VAL 80 6.253 -8.465 -1.469 657 3HG2 VAL 80 HG23 VAL 80 6.450 -9.919 -2.448 658 H LEU 81 HN LEU 81 3.600 -5.243 -3.315 659 HA LEU 81 HA LEU 81 2.197 -5.677 -5.888 660 1HB LEU 81 HB2 LEU 81 1.953 -3.185 -4.225 661 2HB LEU 81 HB1 LEU 81 0.868 -3.781 -5.478 662 HG LEU 81 HG LEU 81 1.325 -5.184 -2.829 663 1HD1 LEU 81 HD11 LEU 81 -0.694 -3.148 -3.740 664 2HD1 LEU 81 HD12 LEU 81 0.203 -3.211 -2.224 665 3HD1 LEU 81 HD13 LEU 81 -1.121 -4.339 -2.512 666 1HD2 LEU 81 HD21 LEU 81 -0.551 -6.549 -3.459 667 2HD2 LEU 81 HD22 LEU 81 0.534 -6.535 -4.845 668 3HD2 LEU 81 HD23 LEU 81 -0.909 -5.522 -4.848 669 H SER 82 HN SER 82 3.230 -4.865 -7.654 670 HA SER 82 HA SER 82 4.914 -2.523 -7.393 671 1HB SER 82 HB2 SER 82 6.509 -4.199 -6.713 672 2HB SER 82 HB1 SER 82 6.118 -5.197 -8.107 673 HG SER 82 HG SER 82 6.849 -2.552 -8.574 674 H GLY 83 HN GLY 83 5.974 -1.959 -9.444 675 1HA GLY 83 HA2 GLY 83 6.047 -1.879 -11.797 676 2HA GLY 83 HA1 GLY 83 4.735 -3.045 -11.860 677 H ILE 84 HN ILE 84 5.146 0.173 -10.412 678 HA ILE 84 HA ILE 84 3.685 1.952 -10.284 679 HB ILE 84 HB ILE 84 3.331 3.003 -12.394 680 1HG1 ILE 84 HG12 ILE 84 3.866 0.324 -13.718 681 2HG1 ILE 84 HG11 ILE 84 2.249 0.988 -13.480 682 1HG2 ILE 84 HG21 ILE 84 5.679 2.770 -11.685 683 2HG2 ILE 84 HG22 ILE 84 5.549 2.726 -13.443 684 3HG2 ILE 84 HG23 ILE 84 5.787 1.230 -12.538 685 1HD1 ILE 84 HD11 ILE 84 4.498 2.272 -15.057 686 2HD1 ILE 84 HD12 ILE 84 2.921 3.008 -14.765 687 3HD1 ILE 84 HD13 ILE 84 3.043 1.535 -15.728 688 H ASP 85 HN ASP 85 2.429 -0.999 -10.680 689 HA ASP 85 HA ASP 85 -0.311 -0.083 -11.249 690 1HB ASP 85 HB2 ASP 85 -0.871 -2.454 -11.437 691 2HB ASP 85 HB1 ASP 85 0.505 -2.078 -12.472 692 H LEU 86 HN LEU 86 1.585 -0.003 -8.740 693 HA LEU 86 HA LEU 86 0.603 -1.463 -6.637 694 1HB LEU 86 HB2 LEU 86 1.371 1.463 -6.539 695 2HB LEU 86 HB1 LEU 86 1.404 0.317 -5.201 696 HG LEU 86 HG LEU 86 2.913 -1.008 -7.052 697 1HD1 LEU 86 HD11 LEU 86 2.674 1.384 -8.284 698 2HD1 LEU 86 HD12 LEU 86 4.128 0.394 -8.405 699 3HD1 LEU 86 HD13 LEU 86 4.064 1.729 -7.256 700 1HD2 LEU 86 HD21 LEU 86 3.805 -0.908 -4.923 701 2HD2 LEU 86 HD22 LEU 86 3.502 0.821 -4.762 702 3HD2 LEU 86 HD23 LEU 86 4.859 0.251 -5.734 703 H THR 87 HN THR 87 -0.683 1.599 -7.915 704 HA THR 87 HA THR 87 -2.723 1.869 -5.969 705 HB THR 87 HB THR 87 -3.587 3.620 -7.346 706 HG1 THR 87 HG1 THR 87 -1.969 2.684 -9.464 707 1HG2 THR 87 HG21 THR 87 -1.139 3.728 -6.400 708 2HG2 THR 87 HG22 THR 87 -1.695 4.978 -7.514 709 3HG2 THR 87 HG23 THR 87 -0.680 3.662 -8.101 710 H ASP 88 HN ASP 88 -2.659 0.322 -9.157 711 HA ASP 88 HA ASP 88 -5.463 -0.218 -9.223 712 1HB ASP 88 HB2 ASP 88 -3.126 -1.495 -10.666 713 2HB ASP 88 HB1 ASP 88 -4.818 -1.834 -11.016 714 H GLN 89 HN GLN 89 -2.580 -2.087 -8.361 715 HA GLN 89 HA GLN 89 -4.004 -4.438 -7.581 716 1HB GLN 89 HB2 GLN 89 -1.400 -3.886 -8.116 717 2HB GLN 89 HB1 GLN 89 -1.368 -3.892 -6.353 718 1HG GLN 89 HG2 GLN 89 -2.408 -6.114 -6.320 719 2HG GLN 89 HG1 GLN 89 -2.510 -6.106 -8.079 720 1HE2 GLN 89 HE21 GLN 89 0.284 -4.576 -7.851 721 2HE2 GLN 89 HE22 GLN 89 1.375 -5.871 -7.717 722 H LEU 90 HN LEU 90 -2.537 -1.723 -5.773 723 HA LEU 90 HA LEU 90 -3.182 -2.575 -3.190 724 1HB LEU 90 HB2 LEU 90 -1.714 -0.663 -3.631 725 2HB LEU 90 HB1 LEU 90 -3.081 0.253 -4.265 726 HG LEU 90 HG LEU 90 -4.213 -0.079 -2.021 727 1HD1 LEU 90 HD11 LEU 90 -2.382 -0.494 -0.183 728 2HD1 LEU 90 HD12 LEU 90 -1.528 -1.317 -1.489 729 3HD1 LEU 90 HD13 LEU 90 -3.127 -1.872 -0.994 730 1HD2 LEU 90 HD21 LEU 90 -2.972 2.001 -2.714 731 2HD2 LEU 90 HD22 LEU 90 -1.545 1.356 -1.903 732 3HD2 LEU 90 HD23 LEU 90 -2.994 1.733 -0.971 733 H ALA 91 HN ALA 91 -5.069 -0.580 -5.451 734 HA ALA 91 HA ALA 91 -7.277 -0.102 -3.789 735 1HB ALA 91 HB1 ALA 91 -6.940 -0.255 -6.777 736 2HB ALA 91 HB2 ALA 91 -7.200 1.168 -5.768 737 3HB ALA 91 HB3 ALA 91 -8.522 0.036 -6.054 738 H ASN 92 HN ASN 92 -6.424 -2.841 -5.813 739 HA ASN 92 HA ASN 92 -8.947 -4.193 -5.452 740 1HB ASN 92 HB2 ASN 92 -6.281 -5.029 -6.595 741 2HB ASN 92 HB1 ASN 92 -7.692 -6.076 -6.547 742 1HD2 ASN 92 HD21 ASN 92 -6.413 -5.110 -9.002 743 2HD2 ASN 92 HD22 ASN 92 -7.556 -4.152 -9.811 744 H GLN 93 HN GLN 93 -5.696 -4.351 -4.123 745 HA GLN 93 HA GLN 93 -6.180 -6.682 -2.534 746 1HB GLN 93 HB2 GLN 93 -3.964 -4.632 -2.514 747 2HB GLN 93 HB1 GLN 93 -3.971 -6.094 -1.532 748 1HG GLN 93 HG2 GLN 93 -4.212 -6.075 -4.549 749 2HG GLN 93 HG1 GLN 93 -2.708 -6.352 -3.679 750 1HE2 GLN 93 HE21 GLN 93 -4.977 -8.050 -5.269 751 2HE2 GLN 93 HE22 GLN 93 -4.997 -9.474 -4.352 752 H LEU 94 HN LEU 94 -6.247 -3.198 -1.965 753 HA LEU 94 HA LEU 94 -6.231 -3.162 0.801 754 1HB LEU 94 HB2 LEU 94 -6.114 -1.089 -0.292 755 2HB LEU 94 HB1 LEU 94 -7.584 -1.379 -1.205 756 HG LEU 94 HG LEU 94 -8.913 -1.286 0.863 757 1HD1 LEU 94 HD11 LEU 94 -6.169 -1.150 2.071 758 2HD1 LEU 94 HD12 LEU 94 -7.575 -2.076 2.597 759 3HD1 LEU 94 HD13 LEU 94 -7.502 -0.340 2.891 760 1HD2 LEU 94 HD21 LEU 94 -7.701 0.844 -0.419 761 2HD2 LEU 94 HD22 LEU 94 -7.317 1.145 1.276 762 3HD2 LEU 94 HD23 LEU 94 -8.999 0.979 0.768 763 HA PRO 95 HA PRO 95 -11.155 -3.519 0.766 764 1HB PRO 95 HB2 PRO 95 -11.712 -5.269 -1.446 765 2HB PRO 95 HB1 PRO 95 -12.307 -3.623 -1.189 766 1HG PRO 95 HG2 PRO 95 -10.154 -4.577 -2.911 767 2HG PRO 95 HG1 PRO 95 -11.048 -3.052 -2.960 768 1HD PRO 95 HD2 PRO 95 -8.430 -3.233 -2.177 769 2HD PRO 95 HD1 PRO 95 -9.545 -1.972 -1.605 770 H GLN 96 HN GLN 96 -9.203 -6.048 -0.782 771 HA GLN 96 HA GLN 96 -10.364 -8.281 0.482 772 1HB GLN 96 HB2 GLN 96 -7.551 -7.893 -0.576 773 2HB GLN 96 HB1 GLN 96 -8.285 -9.448 -0.182 774 1HG GLN 96 HG2 GLN 96 -10.019 -9.099 -1.863 775 2HG GLN 96 HG1 GLN 96 -9.391 -7.490 -2.211 776 1HE2 GLN 96 HE21 GLN 96 -9.541 -9.352 -4.314 777 2HE2 GLN 96 HE22 GLN 96 -7.973 -9.836 -4.747 778 H TRP 97 HN TRP 97 -7.822 -6.064 1.460 779 HA TRP 97 HA TRP 97 -6.784 -7.570 3.615 780 1HB TRP 97 HB2 TRP 97 -6.895 -4.566 3.266 781 2HB TRP 97 HB1 TRP 97 -5.863 -5.433 4.402 782 HD1 TRP 97 HD1 TRP 97 -5.830 -7.648 1.634 783 HE1 TRP 97 HE1 TRP 97 -3.849 -7.223 0.034 784 HE3 TRP 97 HE3 TRP 97 -4.445 -2.981 3.173 785 HZ2 TRP 97 HZ2 TRP 97 -1.931 -5.168 -0.514 786 HZ3 TRP 97 HZ3 TRP 97 -2.542 -1.813 2.098 787 HH2 TRP 97 HH2 TRP 97 -1.285 -2.899 0.259 788 H LEU 98 HN LEU 98 -9.568 -5.447 3.332 789 HA LEU 98 HA LEU 98 -10.069 -5.487 6.205 790 1HB LEU 98 HB2 LEU 98 -11.669 -4.309 3.924 791 2HB LEU 98 HB1 LEU 98 -11.942 -4.028 5.639 792 HG LEU 98 HG LEU 98 -9.351 -3.376 4.221 793 1HD1 LEU 98 HD11 LEU 98 -10.069 -1.159 3.987 794 2HD1 LEU 98 HD12 LEU 98 -11.348 -1.345 5.189 795 3HD1 LEU 98 HD13 LEU 98 -11.529 -2.067 3.589 796 1HD2 LEU 98 HD21 LEU 98 -9.247 -1.892 6.384 797 2HD2 LEU 98 HD22 LEU 98 -8.858 -3.609 6.498 798 3HD2 LEU 98 HD23 LEU 98 -10.446 -3.030 6.999 799 H VAL 99 HN VAL 99 -11.063 -7.074 3.305 800 HA VAL 99 HA VAL 99 -13.488 -8.194 4.447 801 HB VAL 99 HB VAL 99 -12.136 -8.823 1.818 802 1HG1 VAL 99 HG11 VAL 99 -14.797 -9.184 1.453 803 2HG1 VAL 99 HG12 VAL 99 -14.660 -9.623 3.156 804 3HG1 VAL 99 HG13 VAL 99 -13.705 -10.480 1.945 805 1HG2 VAL 99 HG21 VAL 99 -14.541 -7.125 1.845 806 2HG2 VAL 99 HG22 VAL 99 -13.043 -6.938 0.933 807 3HG2 VAL 99 HG23 VAL 99 -13.134 -6.375 2.602 808 H GLN 100 HN GLN 100 -10.948 -8.875 5.759 809 HA GLN 100 HA GLN 100 -10.004 -11.425 5.077 810 1HB GLN 100 HB2 GLN 100 -10.274 -10.286 7.870 811 2HB GLN 100 HB1 GLN 100 -9.162 -11.553 7.349 812 1HG GLN 100 HG2 GLN 100 -8.088 -9.954 5.791 813 2HG GLN 100 HG1 GLN 100 -9.182 -8.695 6.361 814 1HE2 GLN 100 HE21 GLN 100 -6.424 -8.289 6.680 815 2HE2 GLN 100 HE22 GLN 100 -6.021 -8.413 8.325 816 H GLN 101 HN GLN 101 -10.613 -13.488 5.621 817 HA GLN 101 HA GLN 101 -12.840 -13.996 7.402 818 1HB GLN 101 HB2 GLN 101 -13.096 -14.556 4.435 819 2HB GLN 101 HB1 GLN 101 -14.202 -15.147 5.674 820 1HG GLN 101 HG2 GLN 101 -14.625 -12.755 6.335 821 2HG GLN 101 HG1 GLN 101 -13.662 -12.257 4.945 822 1HE2 GLN 101 HE21 GLN 101 -15.289 -11.413 3.577 823 2HE2 GLN 101 HE22 GLN 101 -16.615 -12.319 3.027 824 H GLU 102 HN GLU 102 -12.198 -16.041 4.671 825 HA GLU 102 HA GLU 102 -11.652 -18.319 4.758 826 1HB GLU 102 HB2 GLU 102 -9.096 -17.003 5.703 827 2HB GLU 102 HB1 GLU 102 -9.239 -18.537 4.844 828 1HG GLU 102 HG2 GLU 102 -10.071 -15.829 3.761 829 2HG GLU 102 HG1 GLU 102 -8.618 -16.715 3.297 830 H GLY 103 HN GLY 103 -12.999 -17.680 7.153 831 1HA GLY 103 HA2 GLY 103 -11.420 -18.731 9.364 832 2HA GLY 103 HA1 GLY 103 -13.092 -18.184 9.438 833 H ILE 104 HN ILE 104 -11.930 -20.648 10.510 834 HA ILE 104 HA ILE 104 -13.252 -22.692 8.843 835 HB ILE 104 HB ILE 104 -11.418 -23.110 11.216 836 1HG1 ILE 104 HG12 ILE 104 -10.218 -21.944 9.411 837 2HG1 ILE 104 HG11 ILE 104 -9.683 -23.620 9.516 838 1HG2 ILE 104 HG21 ILE 104 -12.887 -24.845 9.302 839 2HG2 ILE 104 HG22 ILE 104 -12.408 -25.162 10.970 840 3HG2 ILE 104 HG23 ILE 104 -11.229 -25.323 9.668 841 1HD1 ILE 104 HD11 ILE 104 -10.078 -23.610 7.268 842 2HD1 ILE 104 HD12 ILE 104 -11.197 -22.251 7.367 843 3HD1 ILE 104 HD13 ILE 104 -11.749 -23.879 7.765 844 H PHE 105 HN PHE 105 -15.173 -23.458 9.457 845 HA PHE 105 HA PHE 105 -16.339 -22.590 11.961 846 1HB PHE 105 HB2 PHE 105 -17.750 -22.609 9.995 847 2HB PHE 105 HB1 PHE 105 -17.409 -24.317 9.719 848 HD1 PHE 105 HD1 PHE 105 -18.582 -22.093 12.510 849 HD2 PHE 105 HD2 PHE 105 -18.994 -25.844 10.460 850 HE1 PHE 105 HE1 PHE 105 -20.453 -22.710 14.016 851 HE2 PHE 105 HE2 PHE 105 -20.864 -26.463 11.967 852 HZ PHE 105 HZ PHE 105 -21.592 -24.896 13.746 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -9.902 4.853 28.993 2 2H GLY 1 HT2 GLY 1 -11.385 5.465 29.555 3 3H GLY 1 HT3 GLY 1 -11.318 3.936 28.816 4 1HA GLY 1 HA2 GLY 1 -11.406 4.177 31.411 5 2HA GLY 1 HA1 GLY 1 -10.459 2.908 30.636 6 H SER 2 HN SER 2 -9.183 3.003 32.645 7 HA SER 2 HA SER 2 -7.579 5.353 33.153 8 1HB SER 2 HB2 SER 2 -6.842 4.243 35.053 9 2HB SER 2 HB1 SER 2 -8.418 3.499 34.816 10 HG SER 2 HG SER 2 -7.181 1.901 33.516 11 H SER 3 HN SER 3 -7.472 3.084 30.787 12 HA SER 3 HA SER 3 -5.873 2.421 29.275 13 1HB SER 3 HB2 SER 3 -5.319 5.003 29.740 14 2HB SER 3 HB1 SER 3 -3.838 4.291 30.373 15 HG SER 3 HG SER 3 -4.965 4.054 27.784 16 H LEU 4 HN LEU 4 -5.296 2.390 32.629 17 HA LEU 4 HA LEU 4 -2.747 1.232 32.808 18 1HB LEU 4 HB2 LEU 4 -3.996 2.133 34.734 19 2HB LEU 4 HB1 LEU 4 -5.149 0.807 34.601 20 HG LEU 4 HG LEU 4 -3.017 -0.711 34.757 21 1HD1 LEU 4 HD11 LEU 4 -1.419 1.177 34.569 22 2HD1 LEU 4 HD12 LEU 4 -1.214 0.297 36.083 23 3HD1 LEU 4 HD13 LEU 4 -2.054 1.849 36.072 24 1HD2 LEU 4 HD21 LEU 4 -4.572 0.708 36.857 25 2HD2 LEU 4 HD22 LEU 4 -3.122 -0.142 37.396 26 3HD2 LEU 4 HD23 LEU 4 -4.402 -1.022 36.559 27 H SER 5 HN SER 5 -5.943 -0.230 32.333 28 HA SER 5 HA SER 5 -4.576 -2.797 31.788 29 1HB SER 5 HB2 SER 5 -5.787 -3.483 33.588 30 2HB SER 5 HB1 SER 5 -6.950 -2.169 33.439 31 HG SER 5 HG SER 5 -8.037 -3.301 31.919 32 HA PRO 6 HA PRO 6 -6.731 -1.433 27.963 33 1HB PRO 6 HB2 PRO 6 -4.544 -2.587 26.488 34 2HB PRO 6 HB1 PRO 6 -4.994 -0.883 26.633 35 1HG PRO 6 HG2 PRO 6 -2.742 -2.106 27.726 36 2HG PRO 6 HG1 PRO 6 -3.359 -0.493 28.107 37 1HD PRO 6 HD2 PRO 6 -3.498 -2.967 29.705 38 2HD PRO 6 HD1 PRO 6 -3.688 -1.278 30.220 39 H GLN 7 HN GLN 7 -7.794 -2.696 26.395 40 HA GLN 7 HA GLN 7 -7.885 -5.569 27.036 41 1HB GLN 7 HB2 GLN 7 -10.000 -4.343 27.202 42 2HB GLN 7 HB1 GLN 7 -9.842 -3.823 25.524 43 1HG GLN 7 HG2 GLN 7 -9.793 -6.238 24.844 44 2HG GLN 7 HG1 GLN 7 -10.133 -6.668 26.519 45 1HE2 GLN 7 HE21 GLN 7 -11.648 -6.127 23.582 46 2HE2 GLN 7 HE22 GLN 7 -13.193 -5.714 24.152 47 H ALA 8 HN ALA 8 -7.242 -7.074 25.625 48 HA ALA 8 HA ALA 8 -5.564 -7.109 23.672 49 1HB ALA 8 HB1 ALA 8 -7.408 -8.904 24.305 50 2HB ALA 8 HB2 ALA 8 -6.511 -9.020 22.792 51 3HB ALA 8 HB3 ALA 8 -8.139 -8.344 22.801 52 H LEU 9 HN LEU 9 -5.453 -4.922 22.863 53 HA LEU 9 HA LEU 9 -7.485 -4.012 21.001 54 1HB LEU 9 HB2 LEU 9 -5.804 -2.116 20.681 55 2HB LEU 9 HB1 LEU 9 -6.481 -2.290 22.300 56 HG LEU 9 HG LEU 9 -3.917 -3.681 21.543 57 1HD1 LEU 9 HD11 LEU 9 -4.085 -0.924 22.776 58 2HD1 LEU 9 HD12 LEU 9 -3.789 -1.193 21.058 59 3HD1 LEU 9 HD13 LEU 9 -2.635 -1.784 22.256 60 1HD2 LEU 9 HD21 LEU 9 -5.554 -3.443 23.892 61 2HD2 LEU 9 HD22 LEU 9 -3.996 -2.687 24.214 62 3HD2 LEU 9 HD23 LEU 9 -4.068 -4.367 23.683 63 H ALA 10 HN ALA 10 -7.359 -3.996 18.804 64 HA ALA 10 HA ALA 10 -5.614 -5.825 17.496 65 1HB ALA 10 HB1 ALA 10 -6.747 -3.862 15.697 66 2HB ALA 10 HB2 ALA 10 -7.960 -4.421 16.844 67 3HB ALA 10 HB3 ALA 10 -7.106 -5.582 15.831 68 H GLN 11 HN GLN 11 -3.835 -5.419 16.142 69 HA GLN 11 HA GLN 11 -2.400 -2.969 16.798 70 1HB GLN 11 HB2 GLN 11 -1.359 -5.149 15.015 71 2HB GLN 11 HB1 GLN 11 -0.460 -4.037 16.045 72 1HG GLN 11 HG2 GLN 11 -1.735 -5.165 18.002 73 2HG GLN 11 HG1 GLN 11 -2.086 -6.444 16.840 74 1HE2 GLN 11 HE21 GLN 11 0.890 -4.992 16.066 75 2HE2 GLN 11 HE22 GLN 11 1.908 -6.119 16.823 76 HA PRO 12 HA PRO 12 -3.262 -0.714 13.113 77 1HB PRO 12 HB2 PRO 12 -0.530 0.070 12.699 78 2HB PRO 12 HB1 PRO 12 -1.839 1.030 13.401 79 1HG PRO 12 HG2 PRO 12 0.369 -0.288 14.713 80 2HG PRO 12 HG1 PRO 12 -0.782 0.884 15.362 81 1HD PRO 12 HD2 PRO 12 -0.688 -1.829 16.019 82 2HD PRO 12 HD1 PRO 12 -2.061 -0.743 16.313 83 H LEU 13 HN LEU 13 -2.851 -0.790 10.798 84 HA LEU 13 HA LEU 13 -1.840 -3.351 9.916 85 1HB LEU 13 HB2 LEU 13 -3.840 -2.121 8.902 86 2HB LEU 13 HB1 LEU 13 -2.663 -1.040 8.161 87 HG LEU 13 HG LEU 13 -2.670 -4.056 7.823 88 1HD1 LEU 13 HD11 LEU 13 -3.139 -2.789 5.366 89 2HD1 LEU 13 HD12 LEU 13 -4.190 -1.958 6.517 90 3HD1 LEU 13 HD13 LEU 13 -4.308 -3.705 6.318 91 1HD2 LEU 13 HD21 LEU 13 -0.896 -1.829 6.940 92 2HD2 LEU 13 HD22 LEU 13 -1.224 -3.103 5.770 93 3HD2 LEU 13 HD23 LEU 13 -0.495 -3.503 7.320 94 H LEU 14 HN LEU 14 0.239 -3.726 9.329 95 HA LEU 14 HA LEU 14 2.016 -1.425 9.123 96 1HB LEU 14 HB2 LEU 14 2.624 -4.396 9.081 97 2HB LEU 14 HB1 LEU 14 3.805 -3.097 9.197 98 HG LEU 14 HG LEU 14 1.694 -3.853 11.221 99 1HD1 LEU 14 HD11 LEU 14 4.091 -4.915 11.026 100 2HD1 LEU 14 HD12 LEU 14 3.469 -4.441 12.608 101 3HD1 LEU 14 HD13 LEU 14 4.610 -3.396 11.757 102 1HD2 LEU 14 HD21 LEU 14 3.292 -1.318 10.888 103 2HD2 LEU 14 HD22 LEU 14 2.795 -1.858 12.491 104 3HD2 LEU 14 HD23 LEU 14 1.578 -1.501 11.263 105 H LEU 15 HN LEU 15 2.304 -0.514 7.258 106 HA LEU 15 HA LEU 15 2.315 -2.169 4.812 107 1HB LEU 15 HB2 LEU 15 0.244 -0.709 5.254 108 2HB LEU 15 HB1 LEU 15 1.302 0.671 4.980 109 HG LEU 15 HG LEU 15 0.073 -0.005 2.933 110 1HD1 LEU 15 HD11 LEU 15 1.858 0.480 1.584 111 2HD1 LEU 15 HD12 LEU 15 2.900 -0.719 2.345 112 3HD1 LEU 15 HD13 LEU 15 2.609 0.828 3.138 113 1HD2 LEU 15 HD21 LEU 15 0.100 -2.137 2.102 114 2HD2 LEU 15 HD22 LEU 15 0.467 -2.559 3.771 115 3HD2 LEU 15 HD23 LEU 15 1.772 -2.417 2.591 116 H GLN 16 HN GLN 16 4.100 -1.899 3.531 117 HA GLN 16 HA GLN 16 5.745 0.498 4.045 118 1HB GLN 16 HB2 GLN 16 6.595 -2.369 3.928 119 2HB GLN 16 HB1 GLN 16 7.720 -1.097 3.446 120 1HG GLN 16 HG2 GLN 16 7.322 0.043 5.618 121 2HG GLN 16 HG1 GLN 16 6.279 -1.294 6.108 122 1HE2 GLN 16 HE21 GLN 16 8.431 -2.953 4.369 123 2HE2 GLN 16 HE22 GLN 16 9.636 -3.246 5.529 124 H LEU 17 HN LEU 17 6.927 1.338 2.365 125 HA LEU 17 HA LEU 17 6.311 0.325 -0.331 126 1HB LEU 17 HB2 LEU 17 4.826 2.212 0.141 127 2HB LEU 17 HB1 LEU 17 6.210 3.202 0.601 128 HG LEU 17 HG LEU 17 7.090 2.594 -1.803 129 1HD1 LEU 17 HD11 LEU 17 4.664 1.212 -1.819 130 2HD1 LEU 17 HD12 LEU 17 5.659 1.591 -3.227 131 3HD1 LEU 17 HD13 LEU 17 4.340 2.667 -2.762 132 1HD2 LEU 17 HD21 LEU 17 6.089 4.626 -2.640 133 2HD2 LEU 17 HD22 LEU 17 6.351 4.845 -0.908 134 3HD2 LEU 17 HD23 LEU 17 4.735 4.481 -1.517 135 H PHE 18 HN PHE 18 8.049 0.153 -1.623 136 HA PHE 18 HA PHE 18 10.603 1.207 -0.613 137 1HB PHE 18 HB2 PHE 18 9.911 -0.931 -2.628 138 2HB PHE 18 HB1 PHE 18 11.551 -0.310 -2.434 139 HD1 PHE 18 HD1 PHE 18 8.994 -2.497 -1.079 140 HD2 PHE 18 HD2 PHE 18 12.668 -0.462 -0.176 141 HE1 PHE 18 HE1 PHE 18 9.350 -3.995 0.865 142 HE2 PHE 18 HE2 PHE 18 13.026 -1.960 1.758 143 HZ PHE 18 HZ PHE 18 11.366 -3.726 2.286 144 H VAL 19 HN VAL 19 11.483 2.967 -1.494 145 HA VAL 19 HA VAL 19 10.846 3.600 -4.309 146 HB VAL 19 HB VAL 19 10.334 5.857 -3.823 147 1HG1 VAL 19 HG11 VAL 19 9.107 4.279 -1.542 148 2HG1 VAL 19 HG12 VAL 19 8.575 4.144 -3.218 149 3HG1 VAL 19 HG13 VAL 19 8.416 5.679 -2.363 150 1HG2 VAL 19 HG21 VAL 19 12.093 6.327 -2.215 151 2HG2 VAL 19 HG22 VAL 19 11.356 5.249 -1.031 152 3HG2 VAL 19 HG23 VAL 19 10.549 6.751 -1.478 153 H ASP 20 HN ASP 20 12.396 4.859 -5.402 154 HA ASP 20 HA ASP 20 15.079 4.774 -4.184 155 1HB ASP 20 HB2 ASP 20 15.974 4.774 -6.399 156 2HB ASP 20 HB1 ASP 20 14.657 3.603 -6.392 157 H THR 21 HN THR 21 12.793 6.824 -3.977 158 HA THR 21 HA THR 21 12.817 9.082 -3.462 159 HB THR 21 HB THR 21 14.785 10.350 -3.522 160 HG1 THR 21 HG1 THR 21 16.187 8.638 -5.189 161 1HG2 THR 21 HG21 THR 21 16.028 9.050 -2.162 162 2HG2 THR 21 HG22 THR 21 16.356 7.888 -3.445 163 3HG2 THR 21 HG23 THR 21 14.869 7.770 -2.508 164 H ARG 22 HN ARG 22 12.446 7.639 -6.290 165 HA ARG 22 HA ARG 22 12.657 9.835 -8.135 166 1HB ARG 22 HB2 ARG 22 11.381 8.348 -9.671 167 2HB ARG 22 HB1 ARG 22 12.789 7.551 -8.970 168 1HG ARG 22 HG2 ARG 22 11.211 6.656 -7.171 169 2HG ARG 22 HG1 ARG 22 9.891 7.214 -8.196 170 1HD ARG 22 HD2 ARG 22 12.055 5.505 -9.375 171 2HD ARG 22 HD1 ARG 22 10.764 4.751 -8.447 172 HE ARG 22 HE ARG 22 9.289 5.242 -10.186 173 1HH1 ARG 22 HH11 ARG 22 12.474 6.203 -10.922 174 2HH1 ARG 22 HH12 ARG 22 12.052 7.097 -12.344 175 1HH2 ARG 22 HH21 ARG 22 8.636 6.745 -11.874 176 2HH2 ARG 22 HH22 ARG 22 9.879 7.408 -12.880 177 HA PRO 23 HA PRO 23 9.014 12.113 -7.136 178 1HB PRO 23 HB2 PRO 23 8.225 12.526 -9.862 179 2HB PRO 23 HB1 PRO 23 9.063 13.656 -8.789 180 1HG PRO 23 HG2 PRO 23 10.102 12.066 -10.965 181 2HG PRO 23 HG1 PRO 23 10.858 13.408 -10.093 182 1HD PRO 23 HD2 PRO 23 11.625 10.727 -9.891 183 2HD PRO 23 HD1 PRO 23 12.033 12.001 -8.723 184 H LEU 24 HN LEU 24 8.844 9.672 -9.680 185 HA LEU 24 HA LEU 24 6.090 9.331 -9.880 186 1HB LEU 24 HB2 LEU 24 7.745 8.229 -11.355 187 2HB LEU 24 HB1 LEU 24 8.210 7.177 -10.020 188 HG LEU 24 HG LEU 24 5.701 6.572 -9.880 189 1HD1 LEU 24 HD11 LEU 24 5.678 8.453 -12.046 190 2HD1 LEU 24 HD12 LEU 24 4.318 7.578 -11.342 191 3HD1 LEU 24 HD13 LEU 24 5.227 6.869 -12.677 192 1HD2 LEU 24 HD21 LEU 24 7.531 5.095 -10.711 193 2HD2 LEU 24 HD22 LEU 24 7.278 5.744 -12.332 194 3HD2 LEU 24 HD23 LEU 24 6.001 4.815 -11.544 195 H SER 25 HN SER 25 8.404 7.908 -7.593 196 HA SER 25 HA SER 25 6.548 6.250 -6.226 197 1HB SER 25 HB2 SER 25 9.045 7.534 -5.096 198 2HB SER 25 HB1 SER 25 8.230 6.090 -4.501 199 HG SER 25 HG SER 25 9.832 5.335 -5.777 200 H GLN 26 HN GLN 26 7.694 9.561 -5.764 201 HA GLN 26 HA GLN 26 6.234 10.118 -3.391 202 1HB GLN 26 HB2 GLN 26 7.162 11.974 -5.613 203 2HB GLN 26 HB1 GLN 26 6.606 12.489 -4.017 204 1HG GLN 26 HG2 GLN 26 8.956 10.640 -4.511 205 2HG GLN 26 HG1 GLN 26 9.095 12.367 -4.175 206 1HE2 GLN 26 HE21 GLN 26 9.142 9.355 -2.687 207 2HE2 GLN 26 HE22 GLN 26 8.769 9.843 -1.105 208 H HIS 27 HN HIS 27 5.597 10.192 -6.794 209 HA HIS 27 HA HIS 27 3.084 11.498 -6.839 210 1HB HIS 27 HB2 HIS 27 4.846 10.646 -8.683 211 2HB HIS 27 HB1 HIS 27 3.726 9.292 -8.740 212 HD1 HIS 27 HD1 HIS 27 1.168 11.198 -8.134 213 HD2 HIS 27 HD2 HIS 27 4.012 11.666 -11.151 214 HE1 HIS 27 HE1 HIS 27 0.063 12.584 -9.945 215 H ILE 28 HN ILE 28 4.013 8.076 -6.937 216 HA ILE 28 HA ILE 28 1.410 7.000 -6.670 217 HB ILE 28 HB ILE 28 4.126 5.814 -6.049 218 1HG1 ILE 28 HG12 ILE 28 2.303 5.484 -8.450 219 2HG1 ILE 28 HG11 ILE 28 3.720 6.534 -8.410 220 1HG2 ILE 28 HG21 ILE 28 2.164 4.672 -4.913 221 2HG2 ILE 28 HG22 ILE 28 3.054 3.658 -6.045 222 3HG2 ILE 28 HG23 ILE 28 1.510 4.360 -6.520 223 1HD1 ILE 28 HD11 ILE 28 3.564 3.596 -8.614 224 2HD1 ILE 28 HD12 ILE 28 4.773 4.191 -7.477 225 3HD1 ILE 28 HD13 ILE 28 4.827 4.696 -9.167 226 H VAL 29 HN VAL 29 3.864 7.983 -4.321 227 HA VAL 29 HA VAL 29 2.855 6.715 -2.051 228 HB VAL 29 HB VAL 29 4.247 9.382 -2.338 229 1HG1 VAL 29 HG11 VAL 29 4.690 8.527 0.234 230 2HG1 VAL 29 HG12 VAL 29 3.006 8.063 -0.011 231 3HG1 VAL 29 HG13 VAL 29 3.498 9.745 -0.220 232 1HG2 VAL 29 HG21 VAL 29 5.141 6.746 -2.613 233 2HG2 VAL 29 HG22 VAL 29 5.610 7.190 -0.973 234 3HG2 VAL 29 HG23 VAL 29 6.156 8.163 -2.340 235 H GLN 30 HN GLN 30 2.011 9.891 -3.417 236 HA GLN 30 HA GLN 30 0.087 10.561 -1.461 237 1HB GLN 30 HB2 GLN 30 0.267 11.338 -4.384 238 2HB GLN 30 HB1 GLN 30 -0.874 12.047 -3.240 239 1HG GLN 30 HG2 GLN 30 2.145 12.084 -2.987 240 2HG GLN 30 HG1 GLN 30 1.128 13.450 -3.436 241 1HE2 GLN 30 HE21 GLN 30 2.728 12.171 -0.812 242 2HE2 GLN 30 HE22 GLN 30 1.757 12.793 0.433 243 H ARG 31 HN ARG 31 -0.114 8.795 -4.531 244 HA ARG 31 HA ARG 31 -2.916 8.387 -4.465 245 1HB ARG 31 HB2 ARG 31 -0.707 6.784 -5.764 246 2HB ARG 31 HB1 ARG 31 -2.423 6.430 -5.979 247 1HG ARG 31 HG2 ARG 31 -2.717 8.843 -6.704 248 2HG ARG 31 HG1 ARG 31 -0.958 8.968 -6.740 249 1HD ARG 31 HD2 ARG 31 -2.627 6.998 -8.319 250 2HD ARG 31 HD1 ARG 31 -1.836 8.430 -8.970 251 HE ARG 31 HE ARG 31 -0.127 6.460 -7.638 252 1HH1 ARG 31 HH21 ARG 31 0.511 8.682 -9.768 253 2HH1 ARG 31 HH22 ARG 31 0.919 7.686 -11.125 254 1HH2 ARG 31 HH11 ARG 31 -0.401 4.794 -9.737 255 2HH2 ARG 31 HH12 ARG 31 0.406 5.484 -11.106 256 H VAL 32 HN VAL 32 -0.199 6.628 -3.065 257 HA VAL 32 HA VAL 32 -1.701 4.399 -2.135 258 HB VAL 32 HB VAL 32 0.914 5.610 -1.202 259 1HG1 VAL 32 HG11 VAL 32 1.204 3.421 -0.011 260 2HG1 VAL 32 HG12 VAL 32 -0.483 3.051 -0.368 261 3HG1 VAL 32 HG13 VAL 32 -0.081 4.420 0.670 262 1HG2 VAL 32 HG21 VAL 32 0.347 4.262 -3.508 263 2HG2 VAL 32 HG22 VAL 32 0.744 2.919 -2.433 264 3HG2 VAL 32 HG23 VAL 32 1.917 4.209 -2.704 265 H LYS 33 HN LYS 33 -0.578 7.377 -0.522 266 HA LYS 33 HA LYS 33 -1.852 6.920 1.952 267 1HB LYS 33 HB2 LYS 33 -1.008 9.471 0.580 268 2HB LYS 33 HB1 LYS 33 -1.587 9.391 2.239 269 1HG LYS 33 HG2 LYS 33 0.230 7.714 2.721 270 2HG LYS 33 HG1 LYS 33 0.862 8.022 1.103 271 1HD LYS 33 HD2 LYS 33 1.020 10.455 1.692 272 2HD LYS 33 HD1 LYS 33 0.552 10.041 3.341 273 1HE LYS 33 HE2 LYS 33 2.636 8.265 2.685 274 2HE LYS 33 HE1 LYS 33 3.154 9.839 2.085 275 1HZ LYS 33 HZ1 LYS 33 2.034 10.346 4.534 276 2HZ LYS 33 HZ2 LYS 33 3.694 10.309 4.169 277 3HZ LYS 33 HZ3 LYS 33 2.922 8.919 4.771 278 H ASN 34 HN ASN 34 -2.902 8.642 -0.961 279 HA ASN 34 HA ASN 34 -5.267 9.748 0.058 280 1HB ASN 34 HB2 ASN 34 -4.579 8.893 -2.759 281 2HB ASN 34 HB1 ASN 34 -5.941 9.915 -2.318 282 1HD2 ASN 34 HD21 ASN 34 -3.172 10.363 -3.786 283 2HD2 ASN 34 HD22 ASN 34 -2.601 11.793 -3.067 284 H ILE 35 HN ILE 35 -4.734 6.657 -1.621 285 HA ILE 35 HA ILE 35 -7.478 5.901 -1.625 286 HB ILE 35 HB ILE 35 -4.984 4.221 -1.883 287 1HG1 ILE 35 HG12 ILE 35 -6.865 5.231 -4.032 288 2HG1 ILE 35 HG11 ILE 35 -5.410 6.107 -3.560 289 1HG2 ILE 35 HG21 ILE 35 -6.861 2.858 -3.225 290 2HG2 ILE 35 HG22 ILE 35 -7.906 3.631 -2.033 291 3HG2 ILE 35 HG23 ILE 35 -6.580 2.598 -1.504 292 1HD1 ILE 35 HD11 ILE 35 -4.034 4.149 -4.120 293 2HD1 ILE 35 HD12 ILE 35 -4.994 4.647 -5.512 294 3HD1 ILE 35 HD13 ILE 35 -5.483 3.246 -4.559 295 H LEU 36 HN LEU 36 -4.736 4.877 0.434 296 HA LEU 36 HA LEU 36 -6.219 3.146 2.082 297 1HB LEU 36 HB2 LEU 36 -3.767 4.797 2.760 298 2HB LEU 36 HB1 LEU 36 -4.374 3.434 3.704 299 HG LEU 36 HG LEU 36 -3.468 3.316 0.812 300 1HD1 LEU 36 HD11 LEU 36 -2.044 1.559 2.559 301 2HD1 LEU 36 HD12 LEU 36 -2.021 3.170 3.276 302 3HD1 LEU 36 HD13 LEU 36 -1.413 2.924 1.642 303 1HD2 LEU 36 HD21 LEU 36 -4.929 1.452 2.609 304 2HD2 LEU 36 HD22 LEU 36 -3.646 0.747 1.626 305 3HD2 LEU 36 HD23 LEU 36 -4.985 1.596 0.853 306 H ALA 37 HN ALA 37 -5.619 6.610 2.247 307 HA ALA 37 HA ALA 37 -6.942 7.014 4.753 308 1HB ALA 37 HB1 ALA 37 -5.362 8.677 4.050 309 2HB ALA 37 HB2 ALA 37 -6.954 9.432 3.991 310 3HB ALA 37 HB3 ALA 37 -6.182 8.887 2.503 311 H ALA 38 HN ALA 38 -8.022 6.244 1.657 312 HA ALA 38 HA ALA 38 -10.501 7.725 1.739 313 1HB ALA 38 HB1 ALA 38 -9.858 5.372 -0.035 314 2HB ALA 38 HB2 ALA 38 -9.271 7.001 -0.369 315 3HB ALA 38 HB3 ALA 38 -11.005 6.676 -0.334 316 H VAL 39 HN VAL 39 -9.361 4.675 2.912 317 HA VAL 39 HA VAL 39 -12.044 3.570 3.146 318 HB VAL 39 HB VAL 39 -10.155 2.082 2.602 319 1HG1 VAL 39 HG11 VAL 39 -9.039 3.392 4.989 320 2HG1 VAL 39 HG12 VAL 39 -8.213 2.580 3.660 321 3HG1 VAL 39 HG13 VAL 39 -8.867 1.636 4.997 322 1HG2 VAL 39 HG21 VAL 39 -12.200 1.681 4.470 323 2HG2 VAL 39 HG22 VAL 39 -10.761 1.024 5.249 324 3HG2 VAL 39 HG23 VAL 39 -11.259 0.424 3.669 325 H GLU 40 HN GLU 40 -10.121 5.681 4.905 326 HA GLU 40 HA GLU 40 -10.119 6.400 7.103 327 1HB GLU 40 HB2 GLU 40 -13.044 5.692 6.743 328 2HB GLU 40 HB1 GLU 40 -12.395 6.727 8.017 329 1HG GLU 40 HG2 GLU 40 -11.516 8.277 6.306 330 2HG GLU 40 HG1 GLU 40 -12.173 7.247 5.036 331 H ALA 41 HN ALA 41 -12.744 4.075 7.515 332 HA ALA 41 HA ALA 41 -13.047 2.408 9.074 333 1HB ALA 41 HB1 ALA 41 -11.935 0.836 7.878 334 2HB ALA 41 HB2 ALA 41 -10.731 0.988 9.157 335 3HB ALA 41 HB3 ALA 41 -10.525 1.867 7.644 336 H THR 42 HN THR 42 -12.318 1.458 11.141 337 HA THR 42 HA THR 42 -11.244 3.533 12.860 338 HB THR 42 HB THR 42 -11.963 2.163 14.677 339 HG1 THR 42 HG1 THR 42 -12.540 0.025 12.957 340 1HG2 THR 42 HG21 THR 42 -14.188 1.180 13.240 341 2HG2 THR 42 HG22 THR 42 -13.680 2.650 12.410 342 3HG2 THR 42 HG23 THR 42 -14.079 2.700 14.127 343 H VAL 43 HN VAL 43 -9.896 1.162 10.973 344 HA VAL 43 HA VAL 43 -7.614 0.777 12.806 345 HB VAL 43 HB VAL 43 -7.153 -1.156 11.135 346 1HG1 VAL 43 HG11 VAL 43 -7.709 -1.736 13.358 347 2HG1 VAL 43 HG12 VAL 43 -8.938 -2.553 12.394 348 3HG1 VAL 43 HG13 VAL 43 -9.326 -1.046 13.220 349 1HG2 VAL 43 HG21 VAL 43 -10.132 -0.814 10.739 350 2HG2 VAL 43 HG22 VAL 43 -9.082 -2.004 9.973 351 3HG2 VAL 43 HG23 VAL 43 -8.937 -0.300 9.549 352 HA PRO 44 HA PRO 44 -6.181 3.576 9.376 353 1HB PRO 44 HB2 PRO 44 -4.208 4.566 11.218 354 2HB PRO 44 HB1 PRO 44 -5.591 5.424 10.531 355 1HG PRO 44 HG2 PRO 44 -5.246 4.449 13.186 356 2HG PRO 44 HG1 PRO 44 -6.605 5.352 12.510 357 1HD PRO 44 HD2 PRO 44 -6.553 2.603 13.271 358 2HD PRO 44 HD1 PRO 44 -7.889 3.486 12.507 359 H ILE 45 HN ILE 45 -4.331 3.314 8.112 360 HA ILE 45 HA ILE 45 -2.621 1.039 8.856 361 HB ILE 45 HB ILE 45 -2.855 2.465 6.197 362 1HG1 ILE 45 HG12 ILE 45 -3.972 0.057 5.774 363 2HG1 ILE 45 HG11 ILE 45 -4.414 0.265 7.469 364 1HG2 ILE 45 HG21 ILE 45 -1.962 -0.121 5.793 365 2HG2 ILE 45 HG22 ILE 45 -1.159 0.325 7.300 366 3HG2 ILE 45 HG23 ILE 45 -0.929 1.308 5.853 367 1HD1 ILE 45 HD11 ILE 45 -5.101 2.693 6.618 368 2HD1 ILE 45 HD12 ILE 45 -6.206 1.329 6.461 369 3HD1 ILE 45 HD13 ILE 45 -5.248 1.854 5.077 370 H SER 46 HN SER 46 -0.380 1.205 8.954 371 HA SER 46 HA SER 46 0.656 3.962 9.066 372 1HB SER 46 HB2 SER 46 0.964 2.471 11.067 373 2HB SER 46 HB1 SER 46 1.953 1.413 10.064 374 HG SER 46 HG SER 46 3.470 2.958 9.913 375 H LEU 47 HN LEU 47 1.667 4.644 7.288 376 HA LEU 47 HA LEU 47 2.789 2.641 5.457 377 1HB LEU 47 HB2 LEU 47 1.137 4.623 4.848 378 2HB LEU 47 HB1 LEU 47 2.633 5.547 4.781 379 HG LEU 47 HG LEU 47 1.811 3.179 3.101 380 1HD1 LEU 47 HD11 LEU 47 3.012 5.883 2.434 381 2HD1 LEU 47 HD12 LEU 47 1.293 5.498 2.358 382 3HD1 LEU 47 HD13 LEU 47 2.427 4.691 1.274 383 1HD2 LEU 47 HD21 LEU 47 4.205 3.361 2.171 384 2HD2 LEU 47 HD22 LEU 47 4.024 2.532 3.715 385 3HD2 LEU 47 HD23 LEU 47 4.604 4.198 3.669 386 H GLN 48 HN GLN 48 4.895 2.288 5.472 387 HA GLN 48 HA GLN 48 6.698 4.460 6.320 388 1HB GLN 48 HB2 GLN 48 6.649 1.542 7.004 389 2HB GLN 48 HB1 GLN 48 8.176 2.416 6.990 390 1HG GLN 48 HG2 GLN 48 7.264 4.053 8.583 391 2HG GLN 48 HG1 GLN 48 5.716 3.209 8.569 392 1HE2 GLN 48 HE21 GLN 48 6.616 0.510 8.675 393 2HE2 GLN 48 HE22 GLN 48 7.406 0.257 10.157 394 H VAL 49 HN VAL 49 8.187 4.997 4.856 395 HA VAL 49 HA VAL 49 8.431 3.326 2.456 396 HB VAL 49 HB VAL 49 9.442 6.140 2.888 397 1HG1 VAL 49 HG11 VAL 49 8.983 5.689 0.196 398 2HG1 VAL 49 HG12 VAL 49 9.641 4.150 0.751 399 3HG1 VAL 49 HG13 VAL 49 10.557 5.638 0.990 400 1HG2 VAL 49 HG21 VAL 49 7.453 6.824 1.598 401 2HG2 VAL 49 HG22 VAL 49 6.966 5.990 3.073 402 3HG2 VAL 49 HG23 VAL 49 6.914 5.146 1.526 403 H ILE 50 HN ILE 50 10.297 2.439 1.814 404 HA ILE 50 HA ILE 50 12.630 2.821 3.585 405 HB ILE 50 HB ILE 50 11.996 0.305 2.035 406 1HG1 ILE 50 HG12 ILE 50 11.262 1.001 4.896 407 2HG1 ILE 50 HG11 ILE 50 10.121 0.820 3.565 408 1HG2 ILE 50 HG21 ILE 50 14.156 1.237 3.703 409 2HG2 ILE 50 HG22 ILE 50 14.012 -0.300 2.852 410 3HG2 ILE 50 HG23 ILE 50 13.369 -0.134 4.486 411 1HD1 ILE 50 HD11 ILE 50 11.896 -1.479 3.777 412 2HD1 ILE 50 HD12 ILE 50 10.134 -1.427 3.741 413 3HD1 ILE 50 HD13 ILE 50 10.992 -1.211 5.267 414 H ASN 51 HN ASN 51 14.373 3.641 2.551 415 HA ASN 51 HA ASN 51 14.235 4.041 -0.298 416 1HB ASN 51 HB2 ASN 51 15.182 5.804 1.070 417 2HB ASN 51 HB1 ASN 51 16.391 4.703 1.722 418 1HD2 ASN 51 HD21 ASN 51 15.737 6.903 -0.846 419 2HD2 ASN 51 HD22 ASN 51 17.091 6.532 -1.800 420 H VAL 52 HN VAL 52 14.656 2.395 -1.611 421 HA VAL 52 HA VAL 52 15.978 0.027 -0.995 422 HB VAL 52 HB VAL 52 16.216 -0.228 -3.487 423 1HG1 VAL 52 HG11 VAL 52 13.993 -0.348 -1.901 424 2HG1 VAL 52 HG12 VAL 52 14.014 -0.811 -3.604 425 3HG1 VAL 52 HG13 VAL 52 13.463 0.797 -3.135 426 1HG2 VAL 52 HG21 VAL 52 14.762 1.758 -4.588 427 2HG2 VAL 52 HG22 VAL 52 16.520 1.832 -4.469 428 3HG2 VAL 52 HG23 VAL 52 15.519 2.662 -3.279 429 H ALA 53 HN ALA 53 17.282 3.095 -2.064 430 HA ALA 53 HA ALA 53 19.873 2.103 -2.743 431 1HB ALA 53 HB1 ALA 53 20.053 4.841 -2.068 432 2HB ALA 53 HB2 ALA 53 18.477 4.612 -2.826 433 3HB ALA 53 HB3 ALA 53 19.944 4.132 -3.680 434 H ASP 54 HN ASP 54 18.316 3.048 0.217 435 HA ASP 54 HA ASP 54 20.852 3.360 1.605 436 1HB ASP 54 HB2 ASP 54 17.997 3.515 2.571 437 2HB ASP 54 HB1 ASP 54 19.399 3.744 3.609 438 H GLN 55 HN GLN 55 18.572 0.877 0.942 439 HA GLN 55 HA GLN 55 20.163 -1.060 2.348 440 1HB GLN 55 HB2 GLN 55 18.539 -1.749 3.987 441 2HB GLN 55 HB1 GLN 55 18.810 -0.015 4.183 442 1HG GLN 55 HG2 GLN 55 16.789 -0.025 2.347 443 2HG GLN 55 HG1 GLN 55 16.391 -1.454 3.299 444 1HE2 GLN 55 HE21 GLN 55 15.200 -1.043 5.157 445 2HE2 GLN 55 HE22 GLN 55 15.126 0.453 5.954 446 HA PRO 56 HA PRO 56 17.630 -2.640 -1.204 447 1HB PRO 56 HB2 PRO 56 20.064 -3.710 -2.290 448 2HB PRO 56 HB1 PRO 56 19.038 -2.431 -2.958 449 1HG PRO 56 HG2 PRO 56 21.592 -2.111 -1.929 450 2HG PRO 56 HG1 PRO 56 20.417 -0.822 -2.221 451 1HD PRO 56 HD2 PRO 56 21.234 -2.063 0.345 452 2HD PRO 56 HD1 PRO 56 20.545 -0.455 0.034 453 H GLN 57 HN GLN 57 19.496 -3.892 1.277 454 HA GLN 57 HA GLN 57 19.745 -6.608 0.545 455 1HB GLN 57 HB2 GLN 57 20.962 -5.498 2.425 456 2HB GLN 57 HB1 GLN 57 19.458 -5.518 3.348 457 1HG GLN 57 HG2 GLN 57 19.360 -8.004 3.014 458 2HG GLN 57 HG1 GLN 57 20.952 -7.920 2.263 459 1HE2 GLN 57 HE21 GLN 57 21.058 -5.529 4.527 460 2HE2 GLN 57 HE22 GLN 57 21.666 -6.405 5.847 461 H LEU 58 HN LEU 58 17.146 -4.941 2.391 462 HA LEU 58 HA LEU 58 15.705 -7.399 2.729 463 1HB LEU 58 HB2 LEU 58 13.773 -5.615 3.170 464 2HB LEU 58 HB1 LEU 58 15.002 -5.977 4.375 465 HG LEU 58 HG LEU 58 16.288 -4.043 3.723 466 1HD1 LEU 58 HD11 LEU 58 15.102 -2.532 1.934 467 2HD1 LEU 58 HD12 LEU 58 14.355 -4.050 1.433 468 3HD1 LEU 58 HD13 LEU 58 16.106 -3.877 1.418 469 1HD2 LEU 58 HD21 LEU 58 14.879 -2.983 5.145 470 2HD2 LEU 58 HD22 LEU 58 13.485 -3.865 4.523 471 3HD2 LEU 58 HD23 LEU 58 14.033 -2.398 3.714 472 H VAL 59 HN VAL 59 15.997 -5.054 0.217 473 HA VAL 59 HA VAL 59 13.523 -5.469 -1.126 474 HB VAL 59 HB VAL 59 16.222 -4.673 -2.257 475 1HG1 VAL 59 HG11 VAL 59 14.969 -3.780 -4.113 476 2HG1 VAL 59 HG12 VAL 59 13.439 -4.141 -3.315 477 3HG1 VAL 59 HG13 VAL 59 14.464 -5.452 -3.892 478 1HG2 VAL 59 HG21 VAL 59 13.927 -3.070 -1.095 479 2HG2 VAL 59 HG22 VAL 59 15.211 -2.356 -2.071 480 3HG2 VAL 59 HG23 VAL 59 15.594 -3.113 -0.527 481 H GLU 60 HN GLU 60 16.755 -6.903 -1.466 482 HA GLU 60 HA GLU 60 15.988 -8.776 -3.493 483 1HB GLU 60 HB2 GLU 60 18.352 -8.666 -1.603 484 2HB GLU 60 HB1 GLU 60 18.172 -9.872 -2.878 485 1HG GLU 60 HG2 GLU 60 18.009 -8.058 -4.556 486 2HG GLU 60 HG1 GLU 60 18.239 -6.868 -3.277 487 H TYR 61 HN TYR 61 16.086 -8.777 0.020 488 HA TYR 61 HA TYR 61 15.755 -11.524 0.500 489 1HB TYR 61 HB2 TYR 61 16.203 -9.956 2.320 490 2HB TYR 61 HB1 TYR 61 14.645 -9.171 2.048 491 HD1 TYR 61 HD1 TYR 61 16.104 -12.561 2.711 492 HD2 TYR 61 HD2 TYR 61 12.777 -9.894 3.234 493 HE1 TYR 61 HE1 TYR 61 14.993 -14.239 4.162 494 HE2 TYR 61 HE2 TYR 61 11.660 -11.572 4.685 495 HH TYR 61 HH TYR 61 13.291 -14.605 5.574 496 H TYR 62 HN TYR 62 13.436 -8.961 -0.179 497 HA TYR 62 HA TYR 62 11.178 -10.779 -0.105 498 1HB TYR 62 HB2 TYR 62 11.449 -7.861 -0.866 499 2HB TYR 62 HB1 TYR 62 9.922 -8.736 -0.818 500 HD1 TYR 62 HD1 TYR 62 11.818 -6.505 0.973 501 HD2 TYR 62 HD2 TYR 62 9.784 -10.254 1.512 502 HE1 TYR 62 HE1 TYR 62 11.654 -6.066 3.407 503 HE2 TYR 62 HE2 TYR 62 9.616 -9.811 3.945 504 HH TYR 62 HH TYR 62 10.272 -8.483 5.624 505 H ARG 63 HN ARG 63 13.553 -10.886 -2.068 506 HA ARG 63 HA ARG 63 13.909 -11.312 -4.300 507 1HB ARG 63 HB2 ARG 63 10.992 -12.096 -4.095 508 2HB ARG 63 HB1 ARG 63 12.017 -12.434 -5.490 509 1HG ARG 63 HG2 ARG 63 13.599 -13.638 -3.952 510 2HG ARG 63 HG1 ARG 63 12.420 -13.427 -2.657 511 1HD ARG 63 HD2 ARG 63 10.724 -14.575 -4.109 512 2HD ARG 63 HD1 ARG 63 12.014 -14.917 -5.258 513 HE ARG 63 HE ARG 63 13.014 -15.942 -2.966 514 1HH1 ARG 63 HH21 ARG 63 10.249 -16.462 -4.951 515 2HH1 ARG 63 HH22 ARG 63 9.781 -17.935 -4.168 516 1HH2 ARG 63 HH11 ARG 63 12.273 -17.766 -1.764 517 2HH2 ARG 63 HH12 ARG 63 10.922 -18.669 -2.364 518 H LEU 64 HN LEU 64 12.320 -8.823 -3.175 519 HA LEU 64 HA LEU 64 10.901 -7.677 -5.328 520 1HB LEU 64 HB2 LEU 64 11.053 -7.012 -2.818 521 2HB LEU 64 HB1 LEU 64 12.490 -6.119 -3.287 522 HG LEU 64 HG LEU 64 10.479 -4.695 -3.271 523 1HD1 LEU 64 HD11 LEU 64 12.442 -4.753 -5.141 524 2HD1 LEU 64 HD12 LEU 64 11.190 -3.515 -5.067 525 3HD1 LEU 64 HD13 LEU 64 11.013 -4.883 -6.164 526 1HD2 LEU 64 HD21 LEU 64 9.085 -6.798 -4.105 527 2HD2 LEU 64 HD22 LEU 64 9.427 -6.101 -5.689 528 3HD2 LEU 64 HD23 LEU 64 8.567 -5.155 -4.476 529 H VAL 65 HN VAL 65 11.638 -6.698 -7.171 530 HA VAL 65 HA VAL 65 14.486 -5.957 -7.316 531 HB VAL 65 HB VAL 65 13.336 -7.244 -9.728 532 1HG1 VAL 65 HG11 VAL 65 15.633 -6.313 -9.628 533 2HG1 VAL 65 HG12 VAL 65 15.645 -8.053 -9.918 534 3HG1 VAL 65 HG13 VAL 65 16.014 -7.424 -8.312 535 1HG2 VAL 65 HG21 VAL 65 13.936 -9.501 -8.847 536 2HG2 VAL 65 HG22 VAL 65 12.576 -8.785 -7.983 537 3HG2 VAL 65 HG23 VAL 65 14.180 -8.787 -7.252 538 H VAL 66 HN VAL 66 11.275 -5.134 -7.891 539 HA VAL 66 HA VAL 66 12.079 -3.118 -9.882 540 HB VAL 66 HB VAL 66 9.656 -3.080 -10.477 541 1HG1 VAL 66 HG11 VAL 66 10.056 -5.839 -11.056 542 2HG1 VAL 66 HG12 VAL 66 11.637 -5.054 -11.082 543 3HG1 VAL 66 HG13 VAL 66 10.338 -4.457 -12.116 544 1HG2 VAL 66 HG21 VAL 66 8.142 -4.668 -9.626 545 2HG2 VAL 66 HG22 VAL 66 9.033 -4.133 -8.202 546 3HG2 VAL 66 HG23 VAL 66 9.435 -5.673 -8.965 547 H THR 67 HN THR 67 11.425 -1.019 -9.608 548 HA THR 67 HA THR 67 9.938 -0.319 -7.186 549 HB THR 67 HB THR 67 11.614 1.595 -6.861 550 HG1 THR 67 HG1 THR 67 13.696 0.224 -7.746 551 1HG2 THR 67 HG21 THR 67 13.326 -0.442 -6.050 552 2HG2 THR 67 HG22 THR 67 11.744 -1.222 -6.100 553 3HG2 THR 67 HG23 THR 67 11.986 0.220 -5.112 554 HA PRO 68 HA PRO 68 9.463 1.749 -6.266 555 1HB PRO 68 HB2 PRO 68 6.765 2.740 -6.459 556 2HB PRO 68 HB1 PRO 68 8.219 3.610 -5.949 557 1HG PRO 68 HG2 PRO 68 6.788 4.053 -8.282 558 2HG PRO 68 HG1 PRO 68 8.428 4.618 -7.945 559 1HD PRO 68 HD2 PRO 68 7.528 2.367 -9.652 560 2HD PRO 68 HD1 PRO 68 9.007 3.344 -9.757 561 H ALA 69 HN ALA 69 8.174 0.573 -4.707 562 HA ALA 69 HA ALA 69 6.161 -1.271 -5.780 563 1HB ALA 69 HB1 ALA 69 7.355 -3.198 -4.693 564 2HB ALA 69 HB2 ALA 69 8.741 -2.137 -4.452 565 3HB ALA 69 HB3 ALA 69 8.201 -2.521 -6.085 566 H LEU 70 HN LEU 70 4.895 -2.286 -4.126 567 HA LEU 70 HA LEU 70 5.146 -1.058 -1.453 568 1HB LEU 70 HB2 LEU 70 3.250 -0.183 -2.968 569 2HB LEU 70 HB1 LEU 70 2.497 -1.756 -2.699 570 HG LEU 70 HG LEU 70 3.467 -0.020 -0.423 571 1HD1 LEU 70 HD11 LEU 70 0.718 0.151 -0.400 572 2HD1 LEU 70 HD12 LEU 70 1.084 0.259 -2.122 573 3HD1 LEU 70 HD13 LEU 70 1.801 1.411 -0.993 574 1HD2 LEU 70 HD21 LEU 70 1.364 -1.493 0.471 575 2HD2 LEU 70 HD22 LEU 70 3.040 -2.018 0.590 576 3HD2 LEU 70 HD23 LEU 70 2.028 -2.588 -0.737 577 H VAL 71 HN VAL 71 5.146 -2.470 0.221 578 HA VAL 71 HA VAL 71 4.167 -5.208 -0.308 579 HB VAL 71 HB VAL 71 6.668 -4.515 1.242 580 1HG1 VAL 71 HG11 VAL 71 6.132 -6.586 2.059 581 2HG1 VAL 71 HG12 VAL 71 6.897 -7.112 0.559 582 3HG1 VAL 71 HG13 VAL 71 5.141 -6.997 0.661 583 1HG2 VAL 71 HG21 VAL 71 7.586 -5.857 -0.897 584 2HG2 VAL 71 HG22 VAL 71 7.421 -4.102 -0.899 585 3HG2 VAL 71 HG23 VAL 71 6.175 -5.104 -1.643 586 H LYS 72 HN LYS 72 2.734 -5.908 1.129 587 HA LYS 72 HA LYS 72 2.314 -4.423 3.626 588 1HB LYS 72 HB2 LYS 72 0.401 -5.124 2.094 589 2HB LYS 72 HB1 LYS 72 0.717 -6.783 2.595 590 1HG LYS 72 HG2 LYS 72 0.645 -5.604 5.022 591 2HG LYS 72 HG1 LYS 72 -0.448 -4.527 4.151 592 1HD LYS 72 HD2 LYS 72 -1.390 -6.885 3.264 593 2HD LYS 72 HD1 LYS 72 -0.772 -7.403 4.830 594 1HE LYS 72 HE2 LYS 72 -2.035 -5.117 5.557 595 2HE LYS 72 HE1 LYS 72 -3.047 -5.617 4.203 596 1HZ LYS 72 HZ1 LYS 72 -3.868 -6.609 6.200 597 2HZ LYS 72 HZ2 LYS 72 -2.336 -7.234 6.586 598 3HZ LYS 72 HZ3 LYS 72 -3.186 -7.830 5.242 599 H ILE 73 HN ILE 73 3.015 -5.148 5.556 600 HA ILE 73 HA ILE 73 4.276 -7.804 5.606 601 HB ILE 73 HB ILE 73 5.082 -6.733 7.925 602 1HG1 ILE 73 HG12 ILE 73 3.607 -4.663 7.139 603 2HG1 ILE 73 HG11 ILE 73 5.142 -4.417 7.967 604 1HG2 ILE 73 HG21 ILE 73 7.062 -5.857 6.613 605 2HG2 ILE 73 HG22 ILE 73 6.158 -6.215 5.144 606 3HG2 ILE 73 HG23 ILE 73 6.607 -7.519 6.242 607 1HD1 ILE 73 HD11 ILE 73 6.296 -4.061 5.870 608 2HD1 ILE 73 HD12 ILE 73 4.871 -3.024 5.882 609 3HD1 ILE 73 HD13 ILE 73 4.863 -4.519 4.951 610 H GLY 74 HN GLY 74 1.595 -6.048 6.995 611 1HA GLY 74 HA2 GLY 74 0.080 -8.062 7.846 612 2HA GLY 74 HA1 GLY 74 1.295 -8.038 9.116 613 HA PRO 75 HA PRO 75 0.246 -8.392 10.921 614 1HB PRO 75 HB2 PRO 75 -2.398 -8.439 12.043 615 2HB PRO 75 HB1 PRO 75 -0.851 -8.205 12.869 616 1HG PRO 75 HG2 PRO 75 -2.837 -6.289 12.476 617 2HG PRO 75 HG1 PRO 75 -1.186 -6.012 13.037 618 1HD PRO 75 HD2 PRO 75 -2.365 -5.416 10.413 619 2HD PRO 75 HD1 PRO 75 -0.869 -4.804 11.152 620 H GLY 76 HN GLY 76 -1.763 -7.586 8.435 621 1HA GLY 76 HA2 GLY 76 -3.261 -10.076 8.282 622 2HA GLY 76 HA1 GLY 76 -3.262 -8.782 7.090 623 H SER 77 HN SER 77 -3.095 -10.752 5.638 624 HA SER 77 HA SER 77 -0.783 -12.344 5.537 625 1HB SER 77 HB2 SER 77 -2.519 -13.134 4.225 626 2HB SER 77 HB1 SER 77 -2.854 -11.557 3.518 627 HG SER 77 HG SER 77 -0.440 -12.993 3.123 628 H ARG 78 HN ARG 78 1.003 -12.280 4.149 629 HA ARG 78 HA ARG 78 2.082 -9.590 3.743 630 1HB ARG 78 HB2 ARG 78 3.447 -11.425 4.762 631 2HB ARG 78 HB1 ARG 78 3.363 -12.287 3.225 632 1HG ARG 78 HG2 ARG 78 4.481 -10.440 2.084 633 2HG ARG 78 HG1 ARG 78 4.492 -9.494 3.575 634 1HD ARG 78 HD2 ARG 78 6.673 -10.527 3.298 635 2HD ARG 78 HD1 ARG 78 5.849 -11.297 4.651 636 HE ARG 78 HE ARG 78 5.402 -13.194 3.191 637 1HH1 ARG 78 HH11 ARG 78 6.774 -10.752 1.293 638 2HH1 ARG 78 HH12 ARG 78 7.874 -11.787 0.444 639 1HH2 ARG 78 HH21 ARG 78 7.187 -14.565 2.403 640 2HH2 ARG 78 HH22 ARG 78 8.106 -13.947 1.072 641 H GLN 79 HN GLN 79 2.145 -8.596 1.767 642 HA GLN 79 HA GLN 79 1.943 -10.268 -0.641 643 1HB GLN 79 HB2 GLN 79 0.112 -7.911 -0.157 644 2HB GLN 79 HB1 GLN 79 0.104 -9.003 -1.545 645 1HG GLN 79 HG2 GLN 79 -0.333 -10.903 0.068 646 2HG GLN 79 HG1 GLN 79 -0.554 -9.693 1.330 647 1HE2 GLN 79 HE21 GLN 79 -2.254 -11.508 -0.931 648 2HE2 GLN 79 HE22 GLN 79 -3.637 -10.533 -1.055 649 H VAL 80 HN VAL 80 2.609 -9.216 -2.586 650 HA VAL 80 HA VAL 80 4.163 -6.743 -2.109 651 HB VAL 80 HB VAL 80 4.882 -9.077 -3.897 652 1HG1 VAL 80 HG11 VAL 80 6.992 -7.179 -3.292 653 2HG1 VAL 80 HG12 VAL 80 5.629 -6.369 -4.065 654 3HG1 VAL 80 HG13 VAL 80 6.411 -7.733 -4.863 655 1HG2 VAL 80 HG21 VAL 80 6.896 -8.858 -2.109 656 2HG2 VAL 80 HG22 VAL 80 5.495 -9.897 -1.843 657 3HG2 VAL 80 HG23 VAL 80 5.559 -8.294 -1.107 658 H LEU 81 HN LEU 81 3.483 -5.077 -3.274 659 HA LEU 81 HA LEU 81 2.247 -5.594 -5.910 660 1HB LEU 81 HB2 LEU 81 1.687 -3.197 -4.160 661 2HB LEU 81 HB1 LEU 81 0.806 -3.717 -5.595 662 HG LEU 81 HG LEU 81 0.995 -5.383 -3.072 663 1HD1 LEU 81 HD11 LEU 81 -1.458 -4.586 -2.870 664 2HD1 LEU 81 HD12 LEU 81 -0.977 -3.284 -3.958 665 3HD1 LEU 81 HD13 LEU 81 -0.189 -3.459 -2.389 666 1HD2 LEU 81 HD21 LEU 81 -0.459 -6.847 -4.098 667 2HD2 LEU 81 HD22 LEU 81 0.289 -6.209 -5.559 668 3HD2 LEU 81 HD23 LEU 81 -1.253 -5.571 -5.013 669 H SER 82 HN SER 82 3.258 -4.681 -7.609 670 HA SER 82 HA SER 82 4.786 -2.237 -7.280 671 1HB SER 82 HB2 SER 82 6.492 -3.784 -6.607 672 2HB SER 82 HB1 SER 82 6.132 -4.858 -7.950 673 HG SER 82 HG SER 82 7.604 -2.534 -7.858 674 H GLY 83 HN GLY 83 5.866 -1.636 -9.369 675 1HA GLY 83 HA2 GLY 83 5.917 -1.544 -11.710 676 2HA GLY 83 HA1 GLY 83 4.705 -2.814 -11.769 677 H ILE 84 HN ILE 84 4.874 0.463 -10.416 678 HA ILE 84 HA ILE 84 3.306 2.146 -10.328 679 HB ILE 84 HB ILE 84 2.864 3.090 -12.462 680 1HG1 ILE 84 HG12 ILE 84 3.495 0.397 -13.711 681 2HG1 ILE 84 HG11 ILE 84 1.853 0.977 -13.441 682 1HG2 ILE 84 HG21 ILE 84 5.047 3.271 -13.186 683 2HG2 ILE 84 HG22 ILE 84 5.314 1.529 -13.137 684 3HG2 ILE 84 HG23 ILE 84 5.332 2.466 -11.644 685 1HD1 ILE 84 HD11 ILE 84 3.757 1.714 -15.527 686 2HD1 ILE 84 HD12 ILE 84 3.107 3.122 -14.688 687 3HD1 ILE 84 HD13 ILE 84 2.015 1.973 -15.458 688 H ASP 85 HN ASP 85 2.217 -0.907 -10.646 689 HA ASP 85 HA ASP 85 -0.588 -0.142 -11.126 690 1HB ASP 85 HB2 ASP 85 -1.048 -2.513 -11.300 691 2HB ASP 85 HB1 ASP 85 0.342 -2.138 -12.319 692 H LEU 86 HN LEU 86 1.442 -0.017 -8.677 693 HA LEU 86 HA LEU 86 0.532 -1.468 -6.529 694 1HB LEU 86 HB2 LEU 86 1.343 1.445 -6.426 695 2HB LEU 86 HB1 LEU 86 1.453 0.258 -5.131 696 HG LEU 86 HG LEU 86 2.886 -1.088 -6.905 697 1HD1 LEU 86 HD11 LEU 86 2.511 1.455 -8.211 698 2HD1 LEU 86 HD12 LEU 86 3.401 0.043 -8.781 699 3HD1 LEU 86 HD13 LEU 86 4.214 1.259 -7.802 700 1HD2 LEU 86 HD21 LEU 86 3.536 0.982 -4.907 701 2HD2 LEU 86 HD22 LEU 86 4.834 0.640 -6.051 702 3HD2 LEU 86 HD23 LEU 86 4.156 -0.659 -5.073 703 H THR 87 HN THR 87 -0.679 1.714 -7.608 704 HA THR 87 HA THR 87 -2.666 1.919 -5.605 705 HB THR 87 HB THR 87 -3.537 3.759 -6.884 706 HG1 THR 87 HG1 THR 87 -1.881 3.048 -9.041 707 1HG2 THR 87 HG21 THR 87 -0.535 3.502 -7.202 708 2HG2 THR 87 HG22 THR 87 -1.394 4.209 -5.832 709 3HG2 THR 87 HG23 THR 87 -1.432 5.008 -7.405 710 H ASP 88 HN ASP 88 -2.700 0.557 -8.867 711 HA ASP 88 HA ASP 88 -5.522 0.100 -8.911 712 1HB ASP 88 HB2 ASP 88 -3.242 -1.123 -10.485 713 2HB ASP 88 HB1 ASP 88 -4.947 -1.406 -10.822 714 H GLN 89 HN GLN 89 -2.683 -1.952 -8.327 715 HA GLN 89 HA GLN 89 -4.176 -4.284 -7.635 716 1HB GLN 89 HB2 GLN 89 -1.557 -3.767 -8.211 717 2HB GLN 89 HB1 GLN 89 -1.489 -3.971 -6.462 718 1HG GLN 89 HG2 GLN 89 -2.601 -6.138 -6.631 719 2HG GLN 89 HG1 GLN 89 -2.800 -5.926 -8.368 720 1HE2 GLN 89 HE21 GLN 89 -0.095 -4.711 -8.714 721 2HE2 GLN 89 HE22 GLN 89 1.008 -5.990 -8.552 722 H LEU 90 HN LEU 90 -2.665 -1.663 -5.741 723 HA LEU 90 HA LEU 90 -3.138 -2.680 -3.176 724 1HB LEU 90 HB2 LEU 90 -1.744 -0.718 -3.533 725 2HB LEU 90 HB1 LEU 90 -3.134 0.195 -4.121 726 HG LEU 90 HG LEU 90 -4.228 -0.199 -1.880 727 1HD1 LEU 90 HD11 LEU 90 -1.520 -1.428 -1.382 728 2HD1 LEU 90 HD12 LEU 90 -3.113 -2.084 -1.003 729 3HD1 LEU 90 HD13 LEU 90 -2.463 -0.745 -0.057 730 1HD2 LEU 90 HD21 LEU 90 -3.388 1.806 -1.261 731 2HD2 LEU 90 HD22 LEU 90 -2.328 1.678 -2.665 732 3HD2 LEU 90 HD23 LEU 90 -1.762 1.149 -1.080 733 H ALA 91 HN ALA 91 -5.196 -0.545 -5.160 734 HA ALA 91 HA ALA 91 -7.313 -0.309 -3.336 735 1HB ALA 91 HB1 ALA 91 -7.497 -0.343 -6.359 736 2HB ALA 91 HB2 ALA 91 -7.071 1.067 -5.389 737 3HB ALA 91 HB3 ALA 91 -8.675 0.351 -5.244 738 H ASN 92 HN ASN 92 -6.477 -2.822 -5.628 739 HA ASN 92 HA ASN 92 -8.949 -4.273 -5.309 740 1HB ASN 92 HB2 ASN 92 -6.284 -4.965 -6.556 741 2HB ASN 92 HB1 ASN 92 -7.669 -6.045 -6.548 742 1HD2 ASN 92 HD21 ASN 92 -6.273 -4.540 -8.835 743 2HD2 ASN 92 HD22 ASN 92 -7.535 -3.721 -9.620 744 H GLN 93 HN GLN 93 -5.665 -4.414 -4.050 745 HA GLN 93 HA GLN 93 -6.060 -6.841 -2.577 746 1HB GLN 93 HB2 GLN 93 -3.895 -4.736 -2.531 747 2HB GLN 93 HB1 GLN 93 -3.855 -6.188 -1.542 748 1HG GLN 93 HG2 GLN 93 -4.003 -6.117 -4.563 749 2HG GLN 93 HG1 GLN 93 -2.586 -6.541 -3.604 750 1HE2 GLN 93 HE21 GLN 93 -5.064 -7.935 -5.316 751 2HE2 GLN 93 HE22 GLN 93 -5.164 -9.409 -4.489 752 H LEU 94 HN LEU 94 -6.256 -3.401 -1.851 753 HA LEU 94 HA LEU 94 -6.162 -3.456 0.909 754 1HB LEU 94 HB2 LEU 94 -6.214 -1.340 -0.082 755 2HB LEU 94 HB1 LEU 94 -7.664 -1.695 -1.007 756 HG LEU 94 HG LEU 94 -9.004 -1.744 1.041 757 1HD1 LEU 94 HD11 LEU 94 -6.341 -1.228 2.396 758 2HD1 LEU 94 HD12 LEU 94 -7.358 -2.654 2.582 759 3HD1 LEU 94 HD13 LEU 94 -7.901 -1.096 3.202 760 1HD2 LEU 94 HD21 LEU 94 -7.284 0.713 1.306 761 2HD2 LEU 94 HD22 LEU 94 -9.039 0.572 1.423 762 3HD2 LEU 94 HD23 LEU 94 -8.247 0.465 -0.150 763 HA PRO 95 HA PRO 95 -11.032 -4.170 1.024 764 1HB PRO 95 HB2 PRO 95 -11.567 -5.871 -1.227 765 2HB PRO 95 HB1 PRO 95 -12.251 -4.274 -0.891 766 1HG PRO 95 HG2 PRO 95 -10.128 -5.034 -2.736 767 2HG PRO 95 HG1 PRO 95 -11.108 -3.563 -2.686 768 1HD PRO 95 HD2 PRO 95 -8.444 -3.641 -2.019 769 2HD PRO 95 HD1 PRO 95 -9.593 -2.440 -1.387 770 H GLN 96 HN GLN 96 -8.953 -6.460 -0.708 771 HA GLN 96 HA GLN 96 -9.887 -8.837 0.453 772 1HB GLN 96 HB2 GLN 96 -7.141 -8.148 -0.625 773 2HB GLN 96 HB1 GLN 96 -7.718 -9.784 -0.287 774 1HG GLN 96 HG2 GLN 96 -9.532 -9.512 -1.903 775 2HG GLN 96 HG1 GLN 96 -9.053 -7.842 -2.195 776 1HE2 GLN 96 HE21 GLN 96 -9.136 -9.862 -4.276 777 2HE2 GLN 96 HE22 GLN 96 -7.547 -10.101 -4.820 778 H TRP 97 HN TRP 97 -7.447 -6.518 1.493 779 HA TRP 97 HA TRP 97 -6.403 -8.057 3.637 780 1HB TRP 97 HB2 TRP 97 -6.573 -5.038 3.447 781 2HB TRP 97 HB1 TRP 97 -5.470 -5.969 4.460 782 HD1 TRP 97 HD1 TRP 97 -5.432 -7.977 1.567 783 HE1 TRP 97 HE1 TRP 97 -3.559 -7.334 -0.096 784 HE3 TRP 97 HE3 TRP 97 -4.275 -3.319 3.309 785 HZ2 TRP 97 HZ2 TRP 97 -1.810 -5.123 -0.611 786 HZ3 TRP 97 HZ3 TRP 97 -2.506 -1.967 2.222 787 HH2 TRP 97 HH2 TRP 97 -1.273 -2.863 0.267 788 H LEU 98 HN LEU 98 -9.025 -5.692 3.379 789 HA LEU 98 HA LEU 98 -9.711 -5.788 6.163 790 1HB LEU 98 HB2 LEU 98 -11.145 -4.710 3.732 791 2HB LEU 98 HB1 LEU 98 -11.740 -4.536 5.382 792 HG LEU 98 HG LEU 98 -8.950 -3.674 4.624 793 1HD1 LEU 98 HD11 LEU 98 -11.567 -2.201 4.315 794 2HD1 LEU 98 HD12 LEU 98 -10.248 -2.350 3.155 795 3HD1 LEU 98 HD13 LEU 98 -10.056 -1.332 4.581 796 1HD2 LEU 98 HD21 LEU 98 -10.889 -3.108 6.878 797 2HD2 LEU 98 HD22 LEU 98 -9.465 -2.105 6.590 798 3HD2 LEU 98 HD23 LEU 98 -9.274 -3.813 6.984 799 H VAL 99 HN VAL 99 -11.063 -7.176 3.190 800 HA VAL 99 HA VAL 99 -13.248 -8.492 4.428 801 HB VAL 99 HB VAL 99 -11.747 -9.153 1.878 802 1HG1 VAL 99 HG11 VAL 99 -13.693 -10.509 1.295 803 2HG1 VAL 99 HG12 VAL 99 -14.476 -10.089 2.818 804 3HG1 VAL 99 HG13 VAL 99 -13.022 -11.085 2.821 805 1HG2 VAL 99 HG21 VAL 99 -13.138 -6.911 2.348 806 2HG2 VAL 99 HG22 VAL 99 -14.491 -7.977 1.970 807 3HG2 VAL 99 HG23 VAL 99 -13.206 -7.732 0.788 808 H GLN 100 HN GLN 100 -9.924 -9.396 3.754 809 HA GLN 100 HA GLN 100 -8.602 -11.106 4.499 810 1HB GLN 100 HB2 GLN 100 -10.666 -11.197 6.714 811 2HB GLN 100 HB1 GLN 100 -9.073 -11.954 6.762 812 1HG GLN 100 HG2 GLN 100 -7.990 -9.775 6.536 813 2HG GLN 100 HG1 GLN 100 -9.559 -8.986 6.380 814 1HE2 GLN 100 HE21 GLN 100 -7.535 -8.518 8.513 815 2HE2 GLN 100 HE22 GLN 100 -8.303 -8.905 9.978 816 H GLN 101 HN GLN 101 -10.797 -11.639 2.653 817 HA GLN 101 HA GLN 101 -12.089 -13.388 1.832 818 1HB GLN 101 HB2 GLN 101 -9.451 -14.645 2.604 819 2HB GLN 101 HB1 GLN 101 -10.668 -15.470 1.630 820 1HG GLN 101 HG2 GLN 101 -10.521 -13.830 -0.106 821 2HG GLN 101 HG1 GLN 101 -9.566 -12.747 0.908 822 1HE2 GLN 101 HE21 GLN 101 -8.803 -13.959 -1.733 823 2HE2 GLN 101 HE22 GLN 101 -7.378 -14.831 -1.433 824 H GLU 102 HN GLU 102 -12.338 -16.011 2.362 825 HA GLU 102 HA GLU 102 -13.648 -15.990 4.982 826 1HB GLU 102 HB2 GLU 102 -13.717 -18.071 2.780 827 2HB GLU 102 HB1 GLU 102 -14.728 -18.054 4.225 828 1HG GLU 102 HG2 GLU 102 -14.715 -16.005 1.992 829 2HG GLU 102 HG1 GLU 102 -16.016 -17.123 2.396 830 H GLY 103 HN GLY 103 -13.040 -17.286 6.678 831 1HA GLY 103 HA2 GLY 103 -11.283 -18.191 7.960 832 2HA GLY 103 HA1 GLY 103 -11.744 -19.568 6.962 833 H ILE 104 HN ILE 104 -9.972 -20.545 6.230 834 HA ILE 104 HA ILE 104 -7.739 -18.869 5.251 835 HB ILE 104 HB ILE 104 -7.062 -20.161 7.201 836 1HG1 ILE 104 HG12 ILE 104 -5.583 -21.916 5.619 837 2HG1 ILE 104 HG11 ILE 104 -5.951 -20.586 4.525 838 1HG2 ILE 104 HG21 ILE 104 -7.733 -22.288 7.590 839 2HG2 ILE 104 HG22 ILE 104 -7.368 -22.797 5.942 840 3HG2 ILE 104 HG23 ILE 104 -8.903 -22.009 6.300 841 1HD1 ILE 104 HD11 ILE 104 -4.433 -20.529 7.115 842 2HD1 ILE 104 HD12 ILE 104 -5.241 -19.071 6.537 843 3HD1 ILE 104 HD13 ILE 104 -3.992 -19.838 5.554 844 H PHE 105 HN PHE 105 -7.086 -19.142 3.200 845 HA PHE 105 HA PHE 105 -8.536 -21.118 1.573 846 1HB PHE 105 HB2 PHE 105 -8.638 -18.760 0.849 847 2HB PHE 105 HB1 PHE 105 -6.879 -18.734 0.714 848 HD1 PHE 105 HD1 PHE 105 -5.768 -19.656 -1.179 849 HD2 PHE 105 HD2 PHE 105 -9.966 -20.357 -0.594 850 HE1 PHE 105 HE1 PHE 105 -5.920 -20.636 -3.454 851 HE2 PHE 105 HE2 PHE 105 -10.118 -21.336 -2.866 852 HZ PHE 105 HZ PHE 105 -8.097 -21.474 -4.296 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 0.232 -5.482 31.590 2 2H GLY 1 HT2 GLY 1 -0.343 -5.393 33.186 3 3H GLY 1 HT3 GLY 1 -1.352 -5.970 31.947 4 1HA GLY 1 HA2 GLY 1 0.018 -7.908 31.647 5 2HA GLY 1 HA1 GLY 1 1.143 -7.296 32.860 6 H SER 2 HN SER 2 0.651 -7.481 35.024 7 HA SER 2 HA SER 2 -1.435 -9.385 35.696 8 1HB SER 2 HB2 SER 2 0.765 -8.043 37.253 9 2HB SER 2 HB1 SER 2 -0.478 -9.003 38.051 10 HG SER 2 HG SER 2 0.334 -10.773 37.194 11 H SER 3 HN SER 3 -1.411 -6.141 35.203 12 HA SER 3 HA SER 3 -3.091 -5.358 37.441 13 1HB SER 3 HB2 SER 3 -2.093 -3.903 34.993 14 2HB SER 3 HB1 SER 3 -3.222 -3.182 36.138 15 HG SER 3 HG SER 3 -0.560 -3.484 36.328 16 H LEU 4 HN LEU 4 -5.168 -4.174 36.932 17 HA LEU 4 HA LEU 4 -6.821 -5.921 35.287 18 1HB LEU 4 HB2 LEU 4 -7.413 -5.030 37.635 19 2HB LEU 4 HB1 LEU 4 -7.763 -3.505 36.826 20 HG LEU 4 HG LEU 4 -9.811 -4.824 37.027 21 1HD1 LEU 4 HD11 LEU 4 -10.554 -4.582 34.821 22 2HD1 LEU 4 HD12 LEU 4 -9.009 -5.091 34.141 23 3HD1 LEU 4 HD13 LEU 4 -9.167 -3.495 34.874 24 1HD2 LEU 4 HD21 LEU 4 -8.130 -6.995 36.679 25 2HD2 LEU 4 HD22 LEU 4 -9.005 -6.929 35.149 26 3HD2 LEU 4 HD23 LEU 4 -9.891 -7.058 36.667 27 H SER 5 HN SER 5 -7.068 -5.501 33.194 28 HA SER 5 HA SER 5 -7.818 -2.881 32.261 29 1HB SER 5 HB2 SER 5 -5.133 -3.187 32.426 30 2HB SER 5 HB1 SER 5 -5.422 -3.851 30.819 31 HG SER 5 HG SER 5 -6.270 -1.945 30.178 32 HA PRO 6 HA PRO 6 -9.601 -6.231 29.758 33 1HB PRO 6 HB2 PRO 6 -11.617 -4.385 28.860 34 2HB PRO 6 HB1 PRO 6 -11.794 -5.751 29.969 35 1HG PRO 6 HG2 PRO 6 -11.931 -3.028 30.605 36 2HG PRO 6 HG1 PRO 6 -11.883 -4.389 31.731 37 1HD PRO 6 HD2 PRO 6 -9.771 -2.463 31.077 38 2HD PRO 6 HD1 PRO 6 -9.873 -3.602 32.433 39 H GLN 7 HN GLN 7 -7.370 -5.259 28.708 40 HA GLN 7 HA GLN 7 -7.927 -3.775 26.262 41 1HB GLN 7 HB2 GLN 7 -5.370 -4.877 27.440 42 2HB GLN 7 HB1 GLN 7 -5.451 -4.022 25.900 43 1HG GLN 7 HG2 GLN 7 -6.428 -2.059 27.046 44 2HG GLN 7 HG1 GLN 7 -6.311 -2.911 28.587 45 1HE2 GLN 7 HE21 GLN 7 -4.871 -0.400 27.585 46 2HE2 GLN 7 HE22 GLN 7 -3.224 -0.745 27.811 47 H ALA 8 HN ALA 8 -8.161 -4.626 24.306 48 HA ALA 8 HA ALA 8 -7.075 -7.170 23.536 49 1HB ALA 8 HB1 ALA 8 -10.085 -6.949 23.793 50 2HB ALA 8 HB2 ALA 8 -9.051 -7.909 24.850 51 3HB ALA 8 HB3 ALA 8 -9.191 -8.320 23.141 52 H LEU 9 HN LEU 9 -7.006 -4.436 22.668 53 HA LEU 9 HA LEU 9 -8.643 -4.244 20.279 54 1HB LEU 9 HB2 LEU 9 -7.472 -2.097 19.963 55 2HB LEU 9 HB1 LEU 9 -8.137 -2.238 21.589 56 HG LEU 9 HG LEU 9 -5.691 -3.355 21.979 57 1HD1 LEU 9 HD11 LEU 9 -4.840 -1.017 20.383 58 2HD1 LEU 9 HD12 LEU 9 -5.397 -2.398 19.439 59 3HD1 LEU 9 HD13 LEU 9 -4.068 -2.590 20.579 60 1HD2 LEU 9 HD21 LEU 9 -6.901 -1.406 23.161 61 2HD2 LEU 9 HD22 LEU 9 -6.049 -0.356 22.029 62 3HD2 LEU 9 HD23 LEU 9 -5.139 -1.366 23.150 63 H ALA 10 HN ALA 10 -8.001 -4.583 18.211 64 HA ALA 10 HA ALA 10 -5.742 -6.231 17.700 65 1HB ALA 10 HB1 ALA 10 -8.046 -5.665 16.349 66 2HB ALA 10 HB2 ALA 10 -6.657 -6.490 15.643 67 3HB ALA 10 HB3 ALA 10 -6.864 -4.755 15.408 68 H GLN 11 HN GLN 11 -3.915 -5.728 16.325 69 HA GLN 11 HA GLN 11 -2.763 -3.167 17.000 70 1HB GLN 11 HB2 GLN 11 -1.552 -5.259 15.198 71 2HB GLN 11 HB1 GLN 11 -0.713 -4.039 16.153 72 1HG GLN 11 HG2 GLN 11 -1.044 -5.179 18.152 73 2HG GLN 11 HG1 GLN 11 -2.461 -6.036 17.553 74 1HE2 GLN 11 HE21 GLN 11 -0.270 -6.277 15.070 75 2HE2 GLN 11 HE22 GLN 11 0.473 -7.739 15.497 76 HA PRO 12 HA PRO 12 -3.577 -1.172 13.135 77 1HB PRO 12 HB2 PRO 12 -0.987 0.047 12.828 78 2HB PRO 12 HB1 PRO 12 -2.480 0.784 13.431 79 1HG PRO 12 HG2 PRO 12 -0.207 0.238 14.922 80 2HG PRO 12 HG1 PRO 12 -1.812 0.615 15.559 81 1HD PRO 12 HD2 PRO 12 -0.427 -2.000 15.400 82 2HD PRO 12 HD1 PRO 12 -1.711 -1.457 16.498 83 H LEU 13 HN LEU 13 -3.030 -1.136 10.839 84 HA LEU 13 HA LEU 13 -1.708 -3.564 9.996 85 1HB LEU 13 HB2 LEU 13 -3.825 -2.525 8.980 86 2HB LEU 13 HB1 LEU 13 -2.742 -1.374 8.207 87 HG LEU 13 HG LEU 13 -2.494 -4.377 7.945 88 1HD1 LEU 13 HD11 LEU 13 -4.474 -2.824 6.875 89 2HD1 LEU 13 HD12 LEU 13 -3.853 -4.292 6.120 90 3HD1 LEU 13 HD13 LEU 13 -3.238 -2.715 5.624 91 1HD2 LEU 13 HD21 LEU 13 -0.925 -2.026 7.035 92 2HD2 LEU 13 HD22 LEU 13 -1.205 -3.273 5.826 93 3HD2 LEU 13 HD23 LEU 13 -0.396 -3.677 7.336 94 H LEU 14 HN LEU 14 0.347 -3.742 9.281 95 HA LEU 14 HA LEU 14 1.933 -1.286 9.126 96 1HB LEU 14 HB2 LEU 14 2.854 -4.167 9.126 97 2HB LEU 14 HB1 LEU 14 3.837 -2.732 9.397 98 HG LEU 14 HG LEU 14 1.630 -3.810 11.154 99 1HD1 LEU 14 HD11 LEU 14 4.613 -3.469 11.418 100 2HD1 LEU 14 HD12 LEU 14 3.633 -4.906 11.714 101 3HD1 LEU 14 HD13 LEU 14 3.582 -3.556 12.848 102 1HD2 LEU 14 HD21 LEU 14 1.262 -1.476 11.207 103 2HD2 LEU 14 HD22 LEU 14 2.986 -1.113 11.104 104 3HD2 LEU 14 HD23 LEU 14 2.310 -1.768 12.597 105 H LEU 15 HN LEU 15 2.150 -0.398 7.206 106 HA LEU 15 HA LEU 15 2.342 -2.123 4.810 107 1HB LEU 15 HB2 LEU 15 0.183 -0.761 5.175 108 2HB LEU 15 HB1 LEU 15 1.171 0.664 4.873 109 HG LEU 15 HG LEU 15 -0.001 -0.148 2.832 110 1HD1 LEU 15 HD11 LEU 15 1.757 0.450 1.504 111 2HD1 LEU 15 HD12 LEU 15 2.853 -0.710 2.252 112 3HD1 LEU 15 HD13 LEU 15 2.507 0.820 3.054 113 1HD2 LEU 15 HD21 LEU 15 0.168 -2.297 2.064 114 2HD2 LEU 15 HD22 LEU 15 0.548 -2.649 3.745 115 3HD2 LEU 15 HD23 LEU 15 1.850 -2.455 2.569 116 H GLN 16 HN GLN 16 4.087 -1.744 3.479 117 HA GLN 16 HA GLN 16 5.648 0.716 3.996 118 1HB GLN 16 HB2 GLN 16 6.676 -2.105 3.712 119 2HB GLN 16 HB1 GLN 16 7.710 -0.686 3.541 120 1HG GLN 16 HG2 GLN 16 6.977 0.074 5.791 121 2HG GLN 16 HG1 GLN 16 6.060 -1.422 5.972 122 1HE2 GLN 16 HE21 GLN 16 7.471 -3.499 5.624 123 2HE2 GLN 16 HE22 GLN 16 9.044 -3.455 6.259 124 H LEU 17 HN LEU 17 7.031 1.412 2.268 125 HA LEU 17 HA LEU 17 6.349 0.355 -0.384 126 1HB LEU 17 HB2 LEU 17 4.872 2.271 0.044 127 2HB LEU 17 HB1 LEU 17 6.278 3.277 0.373 128 HG LEU 17 HG LEU 17 7.064 2.478 -2.006 129 1HD1 LEU 17 HD11 LEU 17 4.705 1.065 -1.827 130 2HD1 LEU 17 HD12 LEU 17 5.545 1.437 -3.331 131 3HD1 LEU 17 HD13 LEU 17 4.228 2.470 -2.778 132 1HD2 LEU 17 HD21 LEU 17 6.502 4.806 -1.449 133 2HD2 LEU 17 HD22 LEU 17 4.783 4.444 -1.601 134 3HD2 LEU 17 HD23 LEU 17 5.825 4.384 -3.022 135 H PHE 18 HN PHE 18 8.047 0.125 -1.688 136 HA PHE 18 HA PHE 18 10.659 1.125 -0.784 137 1HB PHE 18 HB2 PHE 18 9.818 -0.919 -2.848 138 2HB PHE 18 HB1 PHE 18 11.485 -0.389 -2.652 139 HD1 PHE 18 HD1 PHE 18 8.680 -2.202 -1.077 140 HD2 PHE 18 HD2 PHE 18 12.790 -1.013 -0.703 141 HE1 PHE 18 HE1 PHE 18 8.981 -3.821 0.778 142 HE2 PHE 18 HE2 PHE 18 13.093 -2.629 1.153 143 HZ PHE 18 HZ PHE 18 11.186 -4.033 1.896 144 H VAL 19 HN VAL 19 11.489 2.934 -1.669 145 HA VAL 19 HA VAL 19 10.793 3.571 -4.463 146 HB VAL 19 HB VAL 19 10.210 5.799 -3.972 147 1HG1 VAL 19 HG11 VAL 19 8.411 5.586 -2.284 148 2HG1 VAL 19 HG12 VAL 19 9.119 4.067 -1.731 149 3HG1 VAL 19 HG13 VAL 19 8.449 4.187 -3.359 150 1HG2 VAL 19 HG21 VAL 19 10.404 6.570 -1.491 151 2HG2 VAL 19 HG22 VAL 19 11.874 6.525 -2.466 152 3HG2 VAL 19 HG23 VAL 19 11.533 5.226 -1.322 153 H ASP 20 HN ASP 20 12.280 4.885 -5.563 154 HA ASP 20 HA ASP 20 14.985 4.862 -4.398 155 1HB ASP 20 HB2 ASP 20 15.812 5.048 -6.665 156 2HB ASP 20 HB1 ASP 20 14.635 3.736 -6.608 157 H THR 21 HN THR 21 12.618 6.818 -4.104 158 HA THR 21 HA THR 21 12.507 9.051 -3.554 159 HB THR 21 HB THR 21 14.425 10.395 -3.447 160 HG1 THR 21 HG1 THR 21 15.778 10.440 -5.033 161 1HG2 THR 21 HG21 THR 21 14.505 7.783 -2.498 162 2HG2 THR 21 HG22 THR 21 15.578 9.095 -2.011 163 3HG2 THR 21 HG23 THR 21 16.067 7.987 -3.293 164 H ARG 22 HN ARG 22 12.303 7.735 -6.440 165 HA ARG 22 HA ARG 22 12.577 9.995 -8.193 166 1HB ARG 22 HB2 ARG 22 11.536 8.592 -9.873 167 2HB ARG 22 HB1 ARG 22 12.723 7.639 -8.985 168 1HG ARG 22 HG2 ARG 22 10.706 6.994 -7.457 169 2HG ARG 22 HG1 ARG 22 9.722 7.545 -8.813 170 1HD ARG 22 HD2 ARG 22 11.975 5.594 -9.233 171 2HD ARG 22 HD1 ARG 22 10.379 5.040 -8.739 172 HE ARG 22 HE ARG 22 9.759 6.552 -10.861 173 1HH1 ARG 22 HH11 ARG 22 12.586 6.347 -11.850 174 2HH1 ARG 22 HH12 ARG 22 12.528 4.936 -12.854 175 1HH2 ARG 22 HH21 ARG 22 9.537 3.790 -11.522 176 2HH2 ARG 22 HH22 ARG 22 10.801 3.487 -12.667 177 HA PRO 23 HA PRO 23 8.914 12.264 -7.342 178 1HB PRO 23 HB2 PRO 23 8.178 12.621 -10.090 179 2HB PRO 23 HB1 PRO 23 8.991 13.770 -9.021 180 1HG PRO 23 HG2 PRO 23 10.082 12.118 -11.128 181 2HG PRO 23 HG1 PRO 23 10.809 13.499 -10.293 182 1HD PRO 23 HD2 PRO 23 11.616 10.857 -9.979 183 2HD PRO 23 HD1 PRO 23 11.937 12.158 -8.815 184 H LEU 24 HN LEU 24 8.628 9.873 -9.977 185 HA LEU 24 HA LEU 24 5.855 9.618 -10.032 186 1HB LEU 24 HB2 LEU 24 7.442 8.556 -11.643 187 2HB LEU 24 HB1 LEU 24 7.852 7.372 -10.402 188 HG LEU 24 HG LEU 24 5.261 7.007 -10.268 189 1HD1 LEU 24 HD11 LEU 24 5.306 7.698 -13.167 190 2HD1 LEU 24 HD12 LEU 24 5.152 9.034 -12.024 191 3HD1 LEU 24 HD13 LEU 24 3.964 7.729 -12.024 192 1HD2 LEU 24 HD21 LEU 24 5.434 5.287 -12.026 193 2HD2 LEU 24 HD22 LEU 24 6.906 5.338 -11.056 194 3HD2 LEU 24 HD23 LEU 24 6.879 6.074 -12.658 195 H SER 25 HN SER 25 8.230 7.989 -7.948 196 HA SER 25 HA SER 25 6.405 6.281 -6.620 197 1HB SER 25 HB2 SER 25 8.802 5.883 -6.486 198 2HB SER 25 HB1 SER 25 9.047 7.438 -5.695 199 HG SER 25 HG SER 25 7.541 6.588 -4.059 200 H GLN 26 HN GLN 26 7.643 9.530 -5.877 201 HA GLN 26 HA GLN 26 6.199 9.857 -3.451 202 1HB GLN 26 HB2 GLN 26 7.274 11.879 -5.438 203 2HB GLN 26 HB1 GLN 26 6.576 12.310 -3.874 204 1HG GLN 26 HG2 GLN 26 8.258 10.899 -2.741 205 2HG GLN 26 HG1 GLN 26 8.960 10.488 -4.303 206 1HE2 GLN 26 HE21 GLN 26 10.604 11.735 -2.420 207 2HE2 GLN 26 HE22 GLN 26 10.918 13.332 -2.901 208 H HIS 27 HN HIS 27 5.519 10.252 -6.815 209 HA HIS 27 HA HIS 27 3.062 11.658 -6.699 210 1HB HIS 27 HB2 HIS 27 4.745 10.880 -8.651 211 2HB HIS 27 HB1 HIS 27 3.562 9.584 -8.782 212 HD1 HIS 27 HD1 HIS 27 1.027 11.349 -8.091 213 HD2 HIS 27 HD2 HIS 27 3.980 12.318 -10.874 214 HE1 HIS 27 HE1 HIS 27 -0.043 12.963 -9.728 215 H ILE 28 HN ILE 28 3.864 8.226 -7.050 216 HA ILE 28 HA ILE 28 1.233 7.213 -6.799 217 HB ILE 28 HB ILE 28 3.927 5.920 -6.308 218 1HG1 ILE 28 HG12 ILE 28 2.035 5.756 -8.674 219 2HG1 ILE 28 HG11 ILE 28 3.463 6.789 -8.615 220 1HG2 ILE 28 HG21 ILE 28 1.125 4.785 -6.463 221 2HG2 ILE 28 HG22 ILE 28 2.298 4.595 -5.161 222 3HG2 ILE 28 HG23 ILE 28 2.566 3.800 -6.711 223 1HD1 ILE 28 HD11 ILE 28 4.429 4.939 -9.583 224 2HD1 ILE 28 HD12 ILE 28 3.275 3.824 -8.849 225 3HD1 ILE 28 HD13 ILE 28 4.609 4.469 -7.892 226 H VAL 29 HN VAL 29 3.757 8.015 -4.485 227 HA VAL 29 HA VAL 29 2.772 6.692 -2.233 228 HB VAL 29 HB VAL 29 4.302 9.273 -2.530 229 1HG1 VAL 29 HG11 VAL 29 4.741 8.699 0.022 230 2HG1 VAL 29 HG12 VAL 29 3.150 7.946 -0.102 231 3HG1 VAL 29 HG13 VAL 29 3.343 9.665 -0.452 232 1HG2 VAL 29 HG21 VAL 29 6.135 7.931 -2.435 233 2HG2 VAL 29 HG22 VAL 29 5.026 6.604 -2.774 234 3HG2 VAL 29 HG23 VAL 29 5.465 6.984 -1.108 235 H GLN 30 HN GLN 30 1.969 9.916 -3.511 236 HA GLN 30 HA GLN 30 0.148 10.623 -1.469 237 1HB GLN 30 HB2 GLN 30 0.174 11.401 -4.397 238 2HB GLN 30 HB1 GLN 30 -0.866 12.138 -3.180 239 1HG GLN 30 HG2 GLN 30 2.158 12.157 -3.239 240 2HG GLN 30 HG1 GLN 30 1.081 13.537 -3.443 241 1HE2 GLN 30 HE21 GLN 30 -0.261 14.146 -1.489 242 2HE2 GLN 30 HE22 GLN 30 0.345 13.797 0.057 243 H ARG 31 HN ARG 31 -0.237 8.892 -4.535 244 HA ARG 31 HA ARG 31 -3.042 8.540 -4.337 245 1HB ARG 31 HB2 ARG 31 -0.947 6.851 -5.721 246 2HB ARG 31 HB1 ARG 31 -2.690 6.664 -5.934 247 1HG ARG 31 HG2 ARG 31 -2.773 9.105 -6.594 248 2HG ARG 31 HG1 ARG 31 -1.009 9.088 -6.614 249 1HD ARG 31 HD2 ARG 31 -2.843 7.355 -8.282 250 2HD ARG 31 HD1 ARG 31 -1.857 8.691 -8.866 251 HE ARG 31 HE ARG 31 -0.406 6.534 -7.544 252 1HH1 ARG 31 HH11 ARG 31 1.026 8.233 -9.452 253 2HH1 ARG 31 HH12 ARG 31 1.032 7.301 -10.911 254 1HH2 ARG 31 HH21 ARG 31 -1.525 5.196 -9.891 255 2HH2 ARG 31 HH22 ARG 31 -0.411 5.580 -11.161 256 H VAL 32 HN VAL 32 -0.290 6.623 -3.202 257 HA VAL 32 HA VAL 32 -1.816 4.445 -2.204 258 HB VAL 32 HB VAL 32 0.919 5.498 -1.425 259 1HG1 VAL 32 HG11 VAL 32 -0.280 2.782 -0.816 260 2HG1 VAL 32 HG12 VAL 32 -0.226 4.099 0.356 261 3HG1 VAL 32 HG13 VAL 32 1.272 3.414 -0.269 262 1HG2 VAL 32 HG21 VAL 32 0.206 4.442 -3.795 263 2HG2 VAL 32 HG22 VAL 32 0.468 2.946 -2.898 264 3HG2 VAL 32 HG23 VAL 32 1.775 4.119 -3.057 265 H LYS 33 HN LYS 33 -0.403 7.303 -0.619 266 HA LYS 33 HA LYS 33 -1.468 6.830 1.945 267 1HB LYS 33 HB2 LYS 33 -0.557 9.344 0.556 268 2HB LYS 33 HB1 LYS 33 -1.059 9.302 2.244 269 1HG LYS 33 HG2 LYS 33 0.645 7.504 2.647 270 2HG LYS 33 HG1 LYS 33 1.208 7.736 0.991 271 1HD LYS 33 HD2 LYS 33 1.729 10.080 1.464 272 2HD LYS 33 HD1 LYS 33 1.107 9.901 3.105 273 1HE LYS 33 HE2 LYS 33 3.271 8.058 2.135 274 2HE LYS 33 HE1 LYS 33 3.691 9.682 2.679 275 1HZ LYS 33 HZ1 LYS 33 3.215 9.191 4.801 276 2HZ LYS 33 HZ2 LYS 33 3.433 7.579 4.307 277 3HZ LYS 33 HZ3 LYS 33 1.869 8.236 4.403 278 H ASN 34 HN ASN 34 -2.703 8.708 -0.807 279 HA ASN 34 HA ASN 34 -4.909 9.848 0.508 280 1HB ASN 34 HB2 ASN 34 -4.499 9.152 -2.405 281 2HB ASN 34 HB1 ASN 34 -5.791 10.175 -1.790 282 1HD2 ASN 34 HD21 ASN 34 -3.611 11.045 -3.603 283 2HD2 ASN 34 HD22 ASN 34 -2.737 12.242 -2.771 284 H ILE 35 HN ILE 35 -4.628 6.841 -1.370 285 HA ILE 35 HA ILE 35 -7.380 6.130 -1.148 286 HB ILE 35 HB ILE 35 -4.935 4.455 -1.702 287 1HG1 ILE 35 HG12 ILE 35 -7.058 5.504 -3.595 288 2HG1 ILE 35 HG11 ILE 35 -5.526 6.326 -3.312 289 1HG2 ILE 35 HG21 ILE 35 -7.886 3.825 -1.992 290 2HG2 ILE 35 HG22 ILE 35 -6.754 3.048 -0.885 291 3HG2 ILE 35 HG23 ILE 35 -6.579 2.823 -2.626 292 1HD1 ILE 35 HD11 ILE 35 -5.077 5.006 -5.206 293 2HD1 ILE 35 HD12 ILE 35 -6.012 3.643 -4.589 294 3HD1 ILE 35 HD13 ILE 35 -4.444 4.032 -3.880 295 H LEU 36 HN LEU 36 -4.476 4.925 0.550 296 HA LEU 36 HA LEU 36 -5.852 3.184 2.289 297 1HB LEU 36 HB2 LEU 36 -3.217 4.620 2.691 298 2HB LEU 36 HB1 LEU 36 -3.789 3.249 3.646 299 HG LEU 36 HG LEU 36 -3.294 3.237 0.654 300 1HD1 LEU 36 HD11 LEU 36 -1.266 3.267 2.160 301 2HD1 LEU 36 HD12 LEU 36 -1.404 1.829 1.150 302 3HD1 LEU 36 HD13 LEU 36 -1.844 1.753 2.857 303 1HD2 LEU 36 HD21 LEU 36 -4.614 1.356 2.547 304 2HD2 LEU 36 HD22 LEU 36 -3.536 0.646 1.345 305 3HD2 LEU 36 HD23 LEU 36 -4.915 1.618 0.828 306 H ALA 37 HN ALA 37 -4.876 6.568 2.631 307 HA ALA 37 HA ALA 37 -5.842 6.851 5.303 308 1HB ALA 37 HB1 ALA 37 -4.135 8.347 4.192 309 2HB ALA 37 HB2 ALA 37 -5.443 9.201 5.014 310 3HB ALA 37 HB3 ALA 37 -5.458 9.045 3.256 311 H ALA 38 HN ALA 38 -7.333 6.613 2.261 312 HA ALA 38 HA ALA 38 -9.662 8.201 2.958 313 1HB ALA 38 HB1 ALA 38 -8.706 6.734 0.568 314 2HB ALA 38 HB2 ALA 38 -9.477 8.315 0.689 315 3HB ALA 38 HB3 ALA 38 -10.455 6.849 0.767 316 H VAL 39 HN VAL 39 -8.563 5.078 3.589 317 HA VAL 39 HA VAL 39 -11.203 3.853 3.698 318 HB VAL 39 HB VAL 39 -8.942 2.715 3.055 319 1HG1 VAL 39 HG11 VAL 39 -7.522 2.072 4.752 320 2HG1 VAL 39 HG12 VAL 39 -8.816 2.010 5.951 321 3HG1 VAL 39 HG13 VAL 39 -8.135 3.564 5.467 322 1HG2 VAL 39 HG21 VAL 39 -10.751 1.348 5.068 323 2HG2 VAL 39 HG22 VAL 39 -9.838 0.586 3.766 324 3HG2 VAL 39 HG23 VAL 39 -11.207 1.632 3.389 325 H GLU 40 HN GLU 40 -9.178 5.680 5.726 326 HA GLU 40 HA GLU 40 -9.045 5.919 8.042 327 1HB GLU 40 HB2 GLU 40 -12.009 6.119 7.466 328 2HB GLU 40 HB1 GLU 40 -11.210 6.735 8.914 329 1HG GLU 40 HG2 GLU 40 -10.588 7.578 6.068 330 2HG GLU 40 HG1 GLU 40 -11.503 8.526 7.241 331 H ALA 41 HN ALA 41 -12.205 4.325 7.982 332 HA ALA 41 HA ALA 41 -13.030 2.627 9.304 333 1HB ALA 41 HB1 ALA 41 -11.713 0.513 9.119 334 2HB ALA 41 HB2 ALA 41 -10.416 1.435 8.359 335 3HB ALA 41 HB3 ALA 41 -11.987 1.305 7.568 336 H THR 42 HN THR 42 -12.387 0.996 11.125 337 HA THR 42 HA THR 42 -11.277 2.584 13.270 338 HB THR 42 HB THR 42 -11.959 0.746 14.707 339 HG1 THR 42 HG1 THR 42 -11.318 -0.943 13.327 340 1HG2 THR 42 HG21 THR 42 -14.219 1.081 14.454 341 2HG2 THR 42 HG22 THR 42 -14.175 0.776 12.717 342 3HG2 THR 42 HG23 THR 42 -13.640 2.331 13.354 343 H VAL 43 HN VAL 43 -9.971 0.551 10.953 344 HA VAL 43 HA VAL 43 -7.653 -0.065 12.672 345 HB VAL 43 HB VAL 43 -7.270 -1.861 10.852 346 1HG1 VAL 43 HG11 VAL 43 -9.429 -1.924 12.958 347 2HG1 VAL 43 HG12 VAL 43 -7.798 -2.590 13.044 348 3HG1 VAL 43 HG13 VAL 43 -9.012 -3.361 12.024 349 1HG2 VAL 43 HG21 VAL 43 -10.249 -1.440 10.521 350 2HG2 VAL 43 HG22 VAL 43 -9.236 -2.611 9.673 351 3HG2 VAL 43 HG23 VAL 43 -9.048 -0.886 9.354 352 HA PRO 44 HA PRO 44 -6.300 2.948 9.464 353 1HB PRO 44 HB2 PRO 44 -4.344 3.877 11.357 354 2HB PRO 44 HB1 PRO 44 -5.761 4.733 10.734 355 1HG PRO 44 HG2 PRO 44 -5.381 3.726 13.325 356 2HG PRO 44 HG1 PRO 44 -6.863 4.406 12.644 357 1HD PRO 44 HD2 PRO 44 -6.229 1.614 13.233 358 2HD PRO 44 HD1 PRO 44 -7.795 2.342 12.829 359 H ILE 45 HN ILE 45 -4.485 2.854 8.163 360 HA ILE 45 HA ILE 45 -2.602 0.672 8.782 361 HB ILE 45 HB ILE 45 -3.148 1.996 6.118 362 1HG1 ILE 45 HG12 ILE 45 -4.045 -0.739 6.341 363 2HG1 ILE 45 HG11 ILE 45 -4.793 0.229 7.611 364 1HG2 ILE 45 HG21 ILE 45 -2.172 -0.650 5.880 365 2HG2 ILE 45 HG22 ILE 45 -1.162 0.135 7.094 366 3HG2 ILE 45 HG23 ILE 45 -1.315 0.839 5.486 367 1HD1 ILE 45 HD11 ILE 45 -4.705 1.213 4.759 368 2HD1 ILE 45 HD12 ILE 45 -5.783 1.715 6.065 369 3HD1 ILE 45 HD13 ILE 45 -5.987 0.132 5.311 370 H SER 46 HN SER 46 -0.434 1.052 8.934 371 HA SER 46 HA SER 46 0.404 3.871 8.801 372 1HB SER 46 HB2 SER 46 0.844 2.616 10.903 373 2HB SER 46 HB1 SER 46 1.850 1.491 9.994 374 HG SER 46 HG SER 46 2.229 4.303 10.171 375 H LEU 47 HN LEU 47 1.662 4.577 7.202 376 HA LEU 47 HA LEU 47 2.768 2.584 5.340 377 1HB LEU 47 HB2 LEU 47 1.187 4.657 4.757 378 2HB LEU 47 HB1 LEU 47 2.737 5.492 4.704 379 HG LEU 47 HG LEU 47 1.849 3.117 3.057 380 1HD1 LEU 47 HD11 LEU 47 2.904 4.831 1.315 381 2HD1 LEU 47 HD12 LEU 47 2.513 5.992 2.583 382 3HD1 LEU 47 HD13 LEU 47 1.240 5.000 1.872 383 1HD2 LEU 47 HD21 LEU 47 4.621 4.160 3.629 384 2HD2 LEU 47 HD22 LEU 47 4.250 3.391 2.087 385 3HD2 LEU 47 HD23 LEU 47 4.058 2.489 3.587 386 H GLN 48 HN GLN 48 4.895 2.280 5.204 387 HA GLN 48 HA GLN 48 6.690 4.374 6.261 388 1HB GLN 48 HB2 GLN 48 6.403 1.666 7.163 389 2HB GLN 48 HB1 GLN 48 7.993 1.856 6.421 390 1HG GLN 48 HG2 GLN 48 8.322 2.473 8.679 391 2HG GLN 48 HG1 GLN 48 8.198 4.005 7.814 392 1HE2 GLN 48 HE21 GLN 48 7.561 4.703 10.165 393 2HE2 GLN 48 HE22 GLN 48 5.911 4.608 10.555 394 H VAL 49 HN VAL 49 8.262 4.989 4.901 395 HA VAL 49 HA VAL 49 8.405 3.625 2.305 396 HB VAL 49 HB VAL 49 9.675 6.264 3.021 397 1HG1 VAL 49 HG11 VAL 49 10.417 4.982 0.975 398 2HG1 VAL 49 HG12 VAL 49 9.749 6.580 0.637 399 3HG1 VAL 49 HG13 VAL 49 8.769 5.141 0.361 400 1HG2 VAL 49 HG21 VAL 49 7.651 7.278 1.944 401 2HG2 VAL 49 HG22 VAL 49 7.275 6.457 3.458 402 3HG2 VAL 49 HG23 VAL 49 6.904 5.682 1.920 403 H ILE 50 HN ILE 50 10.178 2.672 1.556 404 HA ILE 50 HA ILE 50 12.583 2.720 3.273 405 HB ILE 50 HB ILE 50 11.656 0.464 1.483 406 1HG1 ILE 50 HG12 ILE 50 11.297 0.975 4.445 407 2HG1 ILE 50 HG11 ILE 50 10.040 0.660 3.248 408 1HG2 ILE 50 HG21 ILE 50 14.145 1.044 2.614 409 2HG2 ILE 50 HG22 ILE 50 13.615 -0.521 1.997 410 3HG2 ILE 50 HG23 ILE 50 13.433 -0.142 3.710 411 1HD1 ILE 50 HD11 ILE 50 10.305 -1.417 4.342 412 2HD1 ILE 50 HD12 ILE 50 12.061 -1.262 4.394 413 3HD1 ILE 50 HD13 ILE 50 11.251 -1.596 2.864 414 H ASN 51 HN ASN 51 14.355 3.515 2.325 415 HA ASN 51 HA ASN 51 14.245 4.224 -0.481 416 1HB ASN 51 HB2 ASN 51 15.438 5.363 1.719 417 2HB ASN 51 HB1 ASN 51 16.802 4.575 0.932 418 1HD2 ASN 51 HD21 ASN 51 15.785 7.537 1.102 419 2HD2 ASN 51 HD22 ASN 51 15.870 8.055 -0.511 420 H VAL 52 HN VAL 52 14.466 2.419 -1.761 421 HA VAL 52 HA VAL 52 15.976 0.137 -1.207 422 HB VAL 52 HB VAL 52 15.797 -0.376 -3.589 423 1HG1 VAL 52 HG11 VAL 52 13.211 0.512 -3.690 424 2HG1 VAL 52 HG12 VAL 52 13.545 0.626 -1.963 425 3HG1 VAL 52 HG13 VAL 52 13.732 -0.917 -2.798 426 1HG2 VAL 52 HG21 VAL 52 15.390 2.579 -3.728 427 2HG2 VAL 52 HG22 VAL 52 14.464 1.585 -4.852 428 3HG2 VAL 52 HG23 VAL 52 16.225 1.505 -4.851 429 H ALA 53 HN ALA 53 16.983 3.228 -2.452 430 HA ALA 53 HA ALA 53 19.479 2.337 -3.528 431 1HB ALA 53 HB1 ALA 53 18.497 5.086 -2.739 432 2HB ALA 53 HB2 ALA 53 18.490 4.384 -4.356 433 3HB ALA 53 HB3 ALA 53 20.019 4.771 -3.570 434 H ASP 54 HN ASP 54 18.344 2.966 -0.340 435 HA ASP 54 HA ASP 54 21.081 3.371 0.621 436 1HB ASP 54 HB2 ASP 54 18.430 3.653 2.043 437 2HB ASP 54 HB1 ASP 54 20.005 3.945 2.774 438 H GLN 55 HN GLN 55 18.402 1.127 0.668 439 HA GLN 55 HA GLN 55 20.151 -0.812 2.006 440 1HB GLN 55 HB2 GLN 55 18.075 -1.498 3.362 441 2HB GLN 55 HB1 GLN 55 18.950 -0.045 3.840 442 1HG GLN 55 HG2 GLN 55 16.643 0.548 3.870 443 2HG GLN 55 HG1 GLN 55 17.320 1.281 2.419 444 1HE2 GLN 55 HE21 GLN 55 15.757 1.110 0.810 445 2HE2 GLN 55 HE22 GLN 55 14.856 -0.286 0.477 446 HA PRO 56 HA PRO 56 17.881 -2.672 -1.585 447 1HB PRO 56 HB2 PRO 56 20.403 -3.759 -2.435 448 2HB PRO 56 HB1 PRO 56 19.406 -2.547 -3.257 449 1HG PRO 56 HG2 PRO 56 21.881 -2.113 -2.075 450 2HG PRO 56 HG1 PRO 56 20.719 -0.868 -2.552 451 1HD PRO 56 HD2 PRO 56 21.367 -1.888 0.150 452 2HD PRO 56 HD1 PRO 56 20.663 -0.330 -0.329 453 H GLN 57 HN GLN 57 19.596 -3.609 1.086 454 HA GLN 57 HA GLN 57 19.959 -6.387 0.704 455 1HB GLN 57 HB2 GLN 57 21.196 -5.299 2.419 456 2HB GLN 57 HB1 GLN 57 19.731 -4.675 3.174 457 1HG GLN 57 HG2 GLN 57 19.019 -6.971 3.711 458 2HG GLN 57 HG1 GLN 57 20.484 -7.605 2.954 459 1HE2 GLN 57 HE21 GLN 57 22.340 -7.722 4.268 460 2HE2 GLN 57 HE22 GLN 57 22.456 -7.031 5.814 461 H LEU 58 HN LEU 58 17.437 -4.741 2.707 462 HA LEU 58 HA LEU 58 16.025 -7.187 3.034 463 1HB LEU 58 HB2 LEU 58 14.174 -5.686 3.873 464 2HB LEU 58 HB1 LEU 58 15.699 -5.609 4.745 465 HG LEU 58 HG LEU 58 15.717 -3.730 2.554 466 1HD1 LEU 58 HD11 LEU 58 13.895 -2.299 3.216 467 2HD1 LEU 58 HD12 LEU 58 13.537 -3.315 4.610 468 3HD1 LEU 58 HD13 LEU 58 13.226 -3.913 2.980 469 1HD2 LEU 58 HD21 LEU 58 15.701 -3.348 5.570 470 2HD2 LEU 58 HD22 LEU 58 16.255 -2.170 4.381 471 3HD2 LEU 58 HD23 LEU 58 17.141 -3.678 4.607 472 H VAL 59 HN VAL 59 16.113 -4.808 0.558 473 HA VAL 59 HA VAL 59 13.556 -5.185 -0.613 474 HB VAL 59 HB VAL 59 16.181 -4.664 -2.041 475 1HG1 VAL 59 HG11 VAL 59 13.299 -4.007 -2.713 476 2HG1 VAL 59 HG12 VAL 59 14.295 -5.224 -3.507 477 3HG1 VAL 59 HG13 VAL 59 14.703 -3.518 -3.663 478 1HG2 VAL 59 HG21 VAL 59 14.229 -2.707 -0.784 479 2HG2 VAL 59 HG22 VAL 59 15.654 -2.274 -1.730 480 3HG2 VAL 59 HG23 VAL 59 15.841 -3.077 -0.171 481 H GLU 60 HN GLU 60 16.682 -6.833 -1.005 482 HA GLU 60 HA GLU 60 15.751 -8.766 -2.900 483 1HB GLU 60 HB2 GLU 60 18.120 -8.792 -1.012 484 2HB GLU 60 HB1 GLU 60 17.849 -9.972 -2.295 485 1HG GLU 60 HG2 GLU 60 17.846 -8.127 -3.958 486 2HG GLU 60 HG1 GLU 60 18.189 -6.981 -2.664 487 H TYR 61 HN TYR 61 15.851 -8.572 0.607 488 HA TYR 61 HA TYR 61 15.437 -11.241 1.308 489 1HB TYR 61 HB2 TYR 61 15.854 -9.393 2.923 490 2HB TYR 61 HB1 TYR 61 14.223 -8.798 2.629 491 HD1 TYR 61 HD1 TYR 61 16.193 -11.649 3.957 492 HD2 TYR 61 HD2 TYR 61 12.310 -9.847 3.609 493 HE1 TYR 61 HE1 TYR 61 15.307 -13.229 5.652 494 HE2 TYR 61 HE2 TYR 61 11.423 -11.426 5.302 495 HH TYR 61 HH TYR 61 11.899 -13.488 6.317 496 H TYR 62 HN TYR 62 13.151 -8.750 0.308 497 HA TYR 62 HA TYR 62 10.873 -10.548 0.479 498 1HB TYR 62 HB2 TYR 62 11.205 -7.704 -0.493 499 2HB TYR 62 HB1 TYR 62 9.668 -8.559 -0.472 500 HD1 TYR 62 HD1 TYR 62 11.841 -6.458 1.344 501 HD2 TYR 62 HD2 TYR 62 9.029 -9.663 1.850 502 HE1 TYR 62 HE1 TYR 62 11.552 -5.825 3.720 503 HE2 TYR 62 HE2 TYR 62 8.739 -9.033 4.229 504 HH TYR 62 HH TYR 62 10.756 -7.316 5.933 505 H ARG 63 HN ARG 63 13.343 -10.656 -1.472 506 HA ARG 63 HA ARG 63 13.716 -11.324 -3.640 507 1HB ARG 63 HB2 ARG 63 10.767 -11.992 -3.427 508 2HB ARG 63 HB1 ARG 63 11.747 -12.370 -4.844 509 1HG ARG 63 HG2 ARG 63 13.173 -13.240 -2.522 510 2HG ARG 63 HG1 ARG 63 11.523 -13.851 -2.415 511 1HD ARG 63 HD2 ARG 63 12.997 -15.416 -3.647 512 2HD ARG 63 HD1 ARG 63 11.693 -14.804 -4.660 513 HE ARG 63 HE ARG 63 13.388 -14.069 -6.046 514 1HH1 ARG 63 HH11 ARG 63 14.600 -14.292 -2.834 515 2HH1 ARG 63 HH12 ARG 63 16.021 -13.351 -3.146 516 1HH2 ARG 63 HH21 ARG 63 15.143 -12.630 -6.423 517 2HH2 ARG 63 HH22 ARG 63 16.328 -12.408 -5.179 518 H LEU 64 HN LEU 64 12.159 -8.735 -2.674 519 HA LEU 64 HA LEU 64 10.896 -7.629 -4.944 520 1HB LEU 64 HB2 LEU 64 10.873 -6.889 -2.458 521 2HB LEU 64 HB1 LEU 64 12.361 -6.034 -2.842 522 HG LEU 64 HG LEU 64 10.381 -4.581 -3.046 523 1HD1 LEU 64 HD11 LEU 64 11.274 -5.018 -5.856 524 2HD1 LEU 64 HD12 LEU 64 12.502 -4.643 -4.643 525 3HD1 LEU 64 HD13 LEU 64 11.169 -3.523 -4.927 526 1HD2 LEU 64 HD21 LEU 64 8.539 -5.124 -4.287 527 2HD2 LEU 64 HD22 LEU 64 9.099 -6.771 -3.989 528 3HD2 LEU 64 HD23 LEU 64 9.487 -5.968 -5.512 529 H VAL 65 HN VAL 65 11.748 -6.741 -6.769 530 HA VAL 65 HA VAL 65 14.574 -5.934 -6.748 531 HB VAL 65 HB VAL 65 13.510 -7.537 -9.058 532 1HG1 VAL 65 HG11 VAL 65 16.238 -8.028 -8.482 533 2HG1 VAL 65 HG12 VAL 65 16.007 -6.289 -8.312 534 3HG1 VAL 65 HG13 VAL 65 15.578 -7.090 -9.821 535 1HG2 VAL 65 HG21 VAL 65 14.450 -8.513 -6.379 536 2HG2 VAL 65 HG22 VAL 65 14.862 -9.438 -7.821 537 3HG2 VAL 65 HG23 VAL 65 13.172 -9.149 -7.412 538 H VAL 66 HN VAL 66 11.387 -5.266 -7.627 539 HA VAL 66 HA VAL 66 12.267 -3.335 -9.673 540 HB VAL 66 HB VAL 66 9.849 -3.379 -10.363 541 1HG1 VAL 66 HG11 VAL 66 10.879 -6.174 -10.550 542 2HG1 VAL 66 HG12 VAL 66 11.874 -4.880 -11.217 543 3HG1 VAL 66 HG13 VAL 66 10.236 -5.134 -11.821 544 1HG2 VAL 66 HG21 VAL 66 9.235 -4.436 -8.053 545 2HG2 VAL 66 HG22 VAL 66 9.648 -5.959 -8.843 546 3HG2 VAL 66 HG23 VAL 66 8.355 -4.948 -9.495 547 H THR 67 HN THR 67 11.534 -1.217 -9.553 548 HA THR 67 HA THR 67 9.975 -0.457 -7.186 549 HB THR 67 HB THR 67 11.581 1.537 -6.964 550 HG1 THR 67 HG1 THR 67 12.605 0.483 -9.056 551 1HG2 THR 67 HG21 THR 67 12.072 -1.314 -6.196 552 2HG2 THR 67 HG22 THR 67 11.677 0.071 -5.177 553 3HG2 THR 67 HG23 THR 67 13.309 -0.115 -5.821 554 HA PRO 68 HA PRO 68 9.460 1.627 -6.331 555 1HB PRO 68 HB2 PRO 68 6.736 2.545 -6.513 556 2HB PRO 68 HB1 PRO 68 8.175 3.468 -6.053 557 1HG PRO 68 HG2 PRO 68 6.697 3.801 -8.375 558 2HG PRO 68 HG1 PRO 68 8.328 4.419 -8.076 559 1HD PRO 68 HD2 PRO 68 7.473 2.098 -9.719 560 2HD PRO 68 HD1 PRO 68 8.929 3.109 -9.858 561 H ALA 69 HN ALA 69 8.148 0.534 -4.707 562 HA ALA 69 HA ALA 69 6.194 -1.402 -5.694 563 1HB ALA 69 HB1 ALA 69 7.419 -3.243 -4.474 564 2HB ALA 69 HB2 ALA 69 8.799 -2.151 -4.365 565 3HB ALA 69 HB3 ALA 69 8.207 -2.669 -5.943 566 H LEU 70 HN LEU 70 4.912 -2.333 -4.049 567 HA LEU 70 HA LEU 70 5.141 -1.058 -1.397 568 1HB LEU 70 HB2 LEU 70 3.296 -0.153 -2.947 569 2HB LEU 70 HB1 LEU 70 2.510 -1.706 -2.700 570 HG LEU 70 HG LEU 70 3.451 -0.016 -0.388 571 1HD1 LEU 70 HD11 LEU 70 1.874 1.475 -1.061 572 2HD1 LEU 70 HD12 LEU 70 0.731 0.284 -0.441 573 3HD1 LEU 70 HD13 LEU 70 1.117 0.324 -2.161 574 1HD2 LEU 70 HD21 LEU 70 2.946 -2.053 0.532 575 2HD2 LEU 70 HD22 LEU 70 1.869 -2.506 -0.790 576 3HD2 LEU 70 HD23 LEU 70 1.309 -1.406 0.466 577 H VAL 71 HN VAL 71 5.148 -2.477 0.280 578 HA VAL 71 HA VAL 71 4.108 -5.195 -0.243 579 HB VAL 71 HB VAL 71 6.605 -4.550 1.328 580 1HG1 VAL 71 HG11 VAL 71 5.143 -7.066 0.563 581 2HG1 VAL 71 HG12 VAL 71 5.787 -6.596 2.135 582 3HG1 VAL 71 HG13 VAL 71 6.883 -7.101 0.847 583 1HG2 VAL 71 HG21 VAL 71 7.468 -5.952 -0.820 584 2HG2 VAL 71 HG22 VAL 71 7.413 -4.190 -0.797 585 3HG2 VAL 71 HG23 VAL 71 6.110 -5.103 -1.556 586 H LYS 72 HN LYS 72 2.678 -5.904 1.172 587 HA LYS 72 HA LYS 72 2.308 -4.477 3.718 588 1HB LYS 72 HB2 LYS 72 0.357 -4.934 2.152 589 2HB LYS 72 HB1 LYS 72 0.553 -6.642 2.543 590 1HG LYS 72 HG2 LYS 72 0.461 -4.776 4.854 591 2HG LYS 72 HG1 LYS 72 -1.048 -4.990 3.966 592 1HD LYS 72 HD2 LYS 72 0.545 -7.422 4.685 593 2HD LYS 72 HD1 LYS 72 -0.406 -6.634 5.944 594 1HE LYS 72 HE2 LYS 72 -1.514 -8.505 4.464 595 2HE LYS 72 HE1 LYS 72 -2.433 -7.052 4.863 596 1HZ LYS 72 HZ1 LYS 72 -1.381 -7.930 2.317 597 2HZ LYS 72 HZ2 LYS 72 -1.126 -6.285 2.655 598 3HZ LYS 72 HZ3 LYS 72 -2.700 -6.919 2.658 599 H ILE 73 HN ILE 73 2.775 -5.398 5.653 600 HA ILE 73 HA ILE 73 3.915 -8.112 5.548 601 HB ILE 73 HB ILE 73 4.696 -7.239 7.958 602 1HG1 ILE 73 HG12 ILE 73 3.394 -5.042 7.251 603 2HG1 ILE 73 HG11 ILE 73 4.922 -4.934 8.122 604 1HG2 ILE 73 HG21 ILE 73 6.701 -6.212 6.555 605 2HG2 ILE 73 HG22 ILE 73 5.832 -6.940 5.202 606 3HG2 ILE 73 HG23 ILE 73 6.388 -7.948 6.539 607 1HD1 ILE 73 HD11 ILE 73 6.135 -4.404 6.160 608 2HD1 ILE 73 HD12 ILE 73 4.648 -3.470 5.999 609 3HD1 ILE 73 HD13 ILE 73 4.846 -4.978 5.103 610 H GLY 74 HN GLY 74 1.302 -6.279 6.970 611 1HA GLY 74 HA2 GLY 74 -0.372 -8.254 7.612 612 2HA GLY 74 HA1 GLY 74 0.766 -8.368 8.947 613 HA PRO 75 HA PRO 75 -0.661 -8.851 10.541 614 1HB PRO 75 HB2 PRO 75 -3.493 -8.845 11.025 615 2HB PRO 75 HB1 PRO 75 -2.177 -8.823 12.205 616 1HG PRO 75 HG2 PRO 75 -3.939 -6.723 11.520 617 2HG PRO 75 HG1 PRO 75 -2.581 -6.684 12.647 618 1HD PRO 75 HD2 PRO 75 -2.771 -5.469 10.033 619 2HD PRO 75 HD1 PRO 75 -1.449 -5.352 11.213 620 H GLY 76 HN GLY 76 -1.577 -10.888 9.822 621 1HA GLY 76 HA2 GLY 76 -2.974 -12.191 8.377 622 2HA GLY 76 HA1 GLY 76 -3.223 -10.761 7.381 623 H SER 77 HN SER 77 -2.638 -12.675 5.819 624 HA SER 77 HA SER 77 -0.017 -13.607 5.553 625 1HB SER 77 HB2 SER 77 -1.566 -14.703 4.202 626 2HB SER 77 HB1 SER 77 -2.268 -13.199 3.610 627 HG SER 77 HG SER 77 -0.970 -13.964 1.997 628 H ARG 78 HN ARG 78 1.549 -13.057 3.897 629 HA ARG 78 HA ARG 78 1.970 -10.150 3.786 630 1HB ARG 78 HB2 ARG 78 3.757 -11.726 4.630 631 2HB ARG 78 HB1 ARG 78 3.864 -12.373 2.993 632 1HG ARG 78 HG2 ARG 78 4.265 -9.996 2.197 633 2HG ARG 78 HG1 ARG 78 4.435 -9.543 3.894 634 1HD ARG 78 HD2 ARG 78 6.653 -9.985 3.107 635 2HD ARG 78 HD1 ARG 78 6.192 -11.378 4.081 636 HE ARG 78 HE ARG 78 5.544 -11.749 1.310 637 1HH1 ARG 78 HH11 ARG 78 8.516 -11.057 2.713 638 2HH1 ARG 78 HH12 ARG 78 9.288 -12.537 2.250 639 1HH2 ARG 78 HH21 ARG 78 6.368 -14.016 1.111 640 2HH2 ARG 78 HH22 ARG 78 8.074 -14.209 1.342 641 H GLN 79 HN GLN 79 2.196 -9.032 1.861 642 HA GLN 79 HA GLN 79 2.013 -10.528 -0.659 643 1HB GLN 79 HB2 GLN 79 0.115 -8.305 0.132 644 2HB GLN 79 HB1 GLN 79 0.248 -8.981 -1.491 645 1HG GLN 79 HG2 GLN 79 -0.244 -11.248 -0.487 646 2HG GLN 79 HG1 GLN 79 -0.601 -10.425 1.031 647 1HE2 GLN 79 HE21 GLN 79 -2.595 -9.250 1.191 648 2HE2 GLN 79 HE22 GLN 79 -3.766 -9.270 -0.037 649 H VAL 80 HN VAL 80 2.897 -9.462 -2.429 650 HA VAL 80 HA VAL 80 4.293 -6.928 -1.799 651 HB VAL 80 HB VAL 80 5.229 -9.132 -3.651 652 1HG1 VAL 80 HG11 VAL 80 5.931 -6.372 -3.410 653 2HG1 VAL 80 HG12 VAL 80 6.680 -7.600 -4.429 654 3HG1 VAL 80 HG13 VAL 80 7.278 -7.328 -2.793 655 1HG2 VAL 80 HG21 VAL 80 6.410 -10.032 -1.927 656 2HG2 VAL 80 HG22 VAL 80 5.233 -9.205 -0.906 657 3HG2 VAL 80 HG23 VAL 80 6.792 -8.452 -1.243 658 H LEU 81 HN LEU 81 3.661 -5.259 -3.009 659 HA LEU 81 HA LEU 81 2.445 -5.817 -5.647 660 1HB LEU 81 HB2 LEU 81 2.001 -3.345 -3.990 661 2HB LEU 81 HB1 LEU 81 1.069 -3.899 -5.374 662 HG LEU 81 HG LEU 81 1.279 -5.515 -2.828 663 1HD1 LEU 81 HD11 LEU 81 0.071 -3.880 -1.837 664 2HD1 LEU 81 HD12 LEU 81 -1.250 -4.372 -2.895 665 3HD1 LEU 81 HD13 LEU 81 -0.192 -3.044 -3.365 666 1HD2 LEU 81 HD21 LEU 81 -0.340 -6.860 -3.769 667 2HD2 LEU 81 HD22 LEU 81 0.380 -6.266 -5.265 668 3HD2 LEU 81 HD23 LEU 81 -1.087 -5.519 -4.640 669 H SER 82 HN SER 82 3.425 -4.925 -7.402 670 HA SER 82 HA SER 82 5.045 -2.542 -7.127 671 1HB SER 82 HB2 SER 82 6.709 -4.159 -6.492 672 2HB SER 82 HB1 SER 82 6.303 -5.186 -7.860 673 HG SER 82 HG SER 82 7.252 -2.514 -8.034 674 H GLY 83 HN GLY 83 6.062 -1.944 -9.223 675 1HA GLY 83 HA2 GLY 83 6.079 -1.944 -11.589 676 2HA GLY 83 HA1 GLY 83 4.689 -3.018 -11.580 677 H ILE 84 HN ILE 84 5.253 0.144 -10.044 678 HA ILE 84 HA ILE 84 3.875 1.999 -9.924 679 HB ILE 84 HB ILE 84 3.507 3.032 -12.101 680 1HG1 ILE 84 HG12 ILE 84 4.428 0.412 -13.316 681 2HG1 ILE 84 HG11 ILE 84 2.726 0.864 -13.194 682 1HG2 ILE 84 HG21 ILE 84 5.874 2.737 -12.983 683 2HG2 ILE 84 HG22 ILE 84 6.082 1.489 -11.753 684 3HG2 ILE 84 HG23 ILE 84 5.752 3.153 -11.274 685 1HD1 ILE 84 HD11 ILE 84 2.942 2.601 -14.725 686 2HD1 ILE 84 HD12 ILE 84 4.108 1.446 -15.370 687 3HD1 ILE 84 HD13 ILE 84 4.662 2.809 -14.398 688 H ASP 85 HN ASP 85 2.524 -0.882 -10.443 689 HA ASP 85 HA ASP 85 -0.159 0.128 -11.099 690 1HB ASP 85 HB2 ASP 85 -0.790 -2.189 -11.385 691 2HB ASP 85 HB1 ASP 85 0.709 -1.909 -12.269 692 H LEU 86 HN LEU 86 1.576 0.225 -8.503 693 HA LEU 86 HA LEU 86 0.500 -1.245 -6.450 694 1HB LEU 86 HB2 LEU 86 1.285 1.674 -6.336 695 2HB LEU 86 HB1 LEU 86 1.220 0.552 -4.980 696 HG LEU 86 HG LEU 86 3.011 0.260 -7.406 697 1HD1 LEU 86 HD11 LEU 86 3.317 1.581 -4.790 698 2HD1 LEU 86 HD12 LEU 86 4.250 1.788 -6.273 699 3HD1 LEU 86 HD13 LEU 86 4.613 0.452 -5.182 700 1HD2 LEU 86 HD21 LEU 86 3.981 -1.397 -5.457 701 2HD2 LEU 86 HD22 LEU 86 2.909 -1.922 -6.755 702 3HD2 LEU 86 HD23 LEU 86 2.246 -1.518 -5.173 703 H THR 87 HN THR 87 -0.785 1.807 -7.791 704 HA THR 87 HA THR 87 -2.873 2.035 -5.891 705 HB THR 87 HB THR 87 -3.866 3.660 -7.432 706 HG1 THR 87 HG1 THR 87 -1.828 3.092 -9.274 707 1HG2 THR 87 HG21 THR 87 -2.053 5.224 -7.490 708 2HG2 THR 87 HG22 THR 87 -0.856 3.930 -7.550 709 3HG2 THR 87 HG23 THR 87 -1.785 4.204 -6.077 710 H ASP 88 HN ASP 88 -2.706 0.458 -9.058 711 HA ASP 88 HA ASP 88 -5.491 -0.217 -9.108 712 1HB ASP 88 HB2 ASP 88 -3.105 -1.340 -10.596 713 2HB ASP 88 HB1 ASP 88 -4.777 -1.786 -10.918 714 H GLN 89 HN GLN 89 -2.495 -1.933 -8.315 715 HA GLN 89 HA GLN 89 -3.756 -4.370 -7.561 716 1HB GLN 89 HB2 GLN 89 -1.104 -3.370 -7.818 717 2HB GLN 89 HB1 GLN 89 -1.273 -4.020 -6.190 718 1HG GLN 89 HG2 GLN 89 -2.213 -6.117 -7.156 719 2HG GLN 89 HG1 GLN 89 -1.937 -5.466 -8.771 720 1HE2 GLN 89 HE21 GLN 89 0.591 -4.175 -7.229 721 2HE2 GLN 89 HE22 GLN 89 1.732 -5.421 -7.381 722 H LEU 90 HN LEU 90 -2.484 -1.601 -5.685 723 HA LEU 90 HA LEU 90 -3.073 -2.594 -3.132 724 1HB LEU 90 HB2 LEU 90 -1.717 -0.566 -3.540 725 2HB LEU 90 HB1 LEU 90 -3.171 0.284 -4.065 726 HG LEU 90 HG LEU 90 -4.187 -0.301 -1.811 727 1HD1 LEU 90 HD11 LEU 90 -2.994 -1.922 -0.743 728 2HD1 LEU 90 HD12 LEU 90 -2.028 -0.560 -0.170 729 3HD1 LEU 90 HD13 LEU 90 -1.492 -1.499 -1.565 730 1HD2 LEU 90 HD21 LEU 90 -3.351 1.943 -2.271 731 2HD2 LEU 90 HD22 LEU 90 -1.700 1.432 -1.919 732 3HD2 LEU 90 HD23 LEU 90 -2.900 1.488 -0.628 733 H ALA 91 HN ALA 91 -5.045 -0.617 -5.329 734 HA ALA 91 HA ALA 91 -7.303 -0.352 -3.684 735 1HB ALA 91 HB1 ALA 91 -8.533 0.108 -5.760 736 2HB ALA 91 HB2 ALA 91 -7.197 -0.546 -6.708 737 3HB ALA 91 HB3 ALA 91 -6.974 0.932 -5.771 738 H ASN 92 HN ASN 92 -6.130 -2.959 -5.665 739 HA ASN 92 HA ASN 92 -8.558 -4.516 -5.540 740 1HB ASN 92 HB2 ASN 92 -5.745 -5.078 -6.479 741 2HB ASN 92 HB1 ASN 92 -7.021 -6.287 -6.501 742 1HD2 ASN 92 HD21 ASN 92 -9.050 -4.049 -7.098 743 2HD2 ASN 92 HD22 ASN 92 -8.834 -3.733 -8.751 744 H GLN 93 HN GLN 93 -5.446 -4.391 -3.899 745 HA GLN 93 HA GLN 93 -5.865 -6.776 -2.364 746 1HB GLN 93 HB2 GLN 93 -3.850 -4.539 -2.147 747 2HB GLN 93 HB1 GLN 93 -3.836 -5.980 -1.137 748 1HG GLN 93 HG2 GLN 93 -3.642 -5.927 -4.160 749 2HG GLN 93 HG1 GLN 93 -2.327 -6.277 -3.039 750 1HE2 GLN 93 HE21 GLN 93 -3.990 -7.959 -5.136 751 2HE2 GLN 93 HE22 GLN 93 -4.320 -9.379 -4.267 752 H LEU 94 HN LEU 94 -6.107 -3.296 -1.721 753 HA LEU 94 HA LEU 94 -6.435 -3.355 1.017 754 1HB LEU 94 HB2 LEU 94 -6.224 -1.249 0.010 755 2HB LEU 94 HB1 LEU 94 -7.561 -1.530 -1.093 756 HG LEU 94 HG LEU 94 -9.159 -1.454 0.742 757 1HD1 LEU 94 HD11 LEU 94 -7.897 -2.499 2.511 758 2HD1 LEU 94 HD12 LEU 94 -8.282 -0.865 3.051 759 3HD1 LEU 94 HD13 LEU 94 -6.666 -1.237 2.452 760 1HD2 LEU 94 HD21 LEU 94 -9.138 0.832 0.931 761 2HD2 LEU 94 HD22 LEU 94 -7.827 0.696 -0.242 762 3HD2 LEU 94 HD23 LEU 94 -7.460 0.870 1.475 763 HA PRO 95 HA PRO 95 -11.298 -3.829 0.372 764 1HB PRO 95 HB2 PRO 95 -11.546 -5.535 -1.928 765 2HB PRO 95 HB1 PRO 95 -12.209 -3.910 -1.706 766 1HG PRO 95 HG2 PRO 95 -9.857 -4.768 -3.196 767 2HG PRO 95 HG1 PRO 95 -10.772 -3.256 -3.298 768 1HD PRO 95 HD2 PRO 95 -8.249 -3.437 -2.223 769 2HD PRO 95 HD1 PRO 95 -9.436 -2.191 -1.773 770 H GLN 96 HN GLN 96 -9.099 -6.270 -0.981 771 HA GLN 96 HA GLN 96 -10.342 -8.562 0.088 772 1HB GLN 96 HB2 GLN 96 -7.444 -8.074 -0.640 773 2HB GLN 96 HB1 GLN 96 -8.157 -9.659 -0.333 774 1HG GLN 96 HG2 GLN 96 -9.719 -9.351 -2.187 775 2HG GLN 96 HG1 GLN 96 -9.099 -7.723 -2.464 776 1HE2 GLN 96 HE21 GLN 96 -9.002 -9.791 -4.490 777 2HE2 GLN 96 HE22 GLN 96 -7.369 -10.148 -4.780 778 H TRP 97 HN TRP 97 -7.925 -6.361 1.404 779 HA TRP 97 HA TRP 97 -7.177 -7.917 3.647 780 1HB TRP 97 HB2 TRP 97 -7.272 -4.897 3.438 781 2HB TRP 97 HB1 TRP 97 -6.326 -5.840 4.589 782 HD1 TRP 97 HD1 TRP 97 -5.964 -7.893 1.765 783 HE1 TRP 97 HE1 TRP 97 -3.892 -7.317 0.336 784 HE3 TRP 97 HE3 TRP 97 -4.948 -3.221 3.551 785 HZ2 TRP 97 HZ2 TRP 97 -2.049 -5.146 0.002 786 HZ3 TRP 97 HZ3 TRP 97 -3.037 -1.921 2.663 787 HH2 TRP 97 HH2 TRP 97 -1.588 -2.877 0.893 788 H LEU 98 HN LEU 98 -9.739 -5.542 3.115 789 HA LEU 98 HA LEU 98 -10.690 -5.497 5.793 790 1HB LEU 98 HB2 LEU 98 -12.213 -4.903 3.246 791 2HB LEU 98 HB1 LEU 98 -12.586 -4.323 4.868 792 HG LEU 98 HG LEU 98 -10.056 -3.684 3.324 793 1HD1 LEU 98 HD11 LEU 98 -11.096 -1.325 3.497 794 2HD1 LEU 98 HD12 LEU 98 -12.610 -2.162 3.843 795 3HD1 LEU 98 HD13 LEU 98 -11.783 -2.430 2.307 796 1HD2 LEU 98 HD21 LEU 98 -11.062 -2.993 6.084 797 2HD2 LEU 98 HD22 LEU 98 -9.912 -1.947 5.251 798 3HD2 LEU 98 HD23 LEU 98 -9.481 -3.618 5.616 799 H VAL 99 HN VAL 99 -11.507 -7.363 2.912 800 HA VAL 99 HA VAL 99 -13.702 -8.768 4.118 801 HB VAL 99 HB VAL 99 -12.074 -9.342 1.627 802 1HG1 VAL 99 HG11 VAL 99 -13.703 -11.132 2.951 803 2HG1 VAL 99 HG12 VAL 99 -13.363 -11.161 1.222 804 3HG1 VAL 99 HG13 VAL 99 -14.821 -10.372 1.821 805 1HG2 VAL 99 HG21 VAL 99 -14.418 -8.546 0.681 806 2HG2 VAL 99 HG22 VAL 99 -13.197 -7.364 1.147 807 3HG2 VAL 99 HG23 VAL 99 -14.529 -7.733 2.242 808 H GLN 100 HN GLN 100 -10.290 -9.450 3.518 809 HA GLN 100 HA GLN 100 -8.854 -11.017 4.379 810 1HB GLN 100 HB2 GLN 100 -10.991 -11.254 6.509 811 2HB GLN 100 HB1 GLN 100 -9.363 -11.922 6.621 812 1HG GLN 100 HG2 GLN 100 -8.486 -9.572 6.256 813 2HG GLN 100 HG1 GLN 100 -10.144 -9.004 6.445 814 1HE2 GLN 100 HE21 GLN 100 -9.892 -11.718 8.367 815 2HE2 GLN 100 HE22 GLN 100 -9.482 -10.975 9.837 816 H GLN 101 HN GLN 101 -10.808 -11.853 2.394 817 HA GLN 101 HA GLN 101 -10.775 -14.723 3.028 818 1HB GLN 101 HB2 GLN 101 -13.168 -13.204 1.986 819 2HB GLN 101 HB1 GLN 101 -13.040 -14.964 2.003 820 1HG GLN 101 HG2 GLN 101 -12.703 -14.922 4.444 821 2HG GLN 101 HG1 GLN 101 -12.824 -13.165 4.434 822 1HE2 GLN 101 HE21 GLN 101 -14.639 -14.743 5.962 823 2HE2 GLN 101 HE22 GLN 101 -16.184 -14.611 5.270 824 H GLU 102 HN GLU 102 -10.421 -16.071 1.337 825 HA GLU 102 HA GLU 102 -9.478 -14.809 -1.139 826 1HB GLU 102 HB2 GLU 102 -9.176 -17.650 -0.131 827 2HB GLU 102 HB1 GLU 102 -8.376 -16.956 -1.543 828 1HG GLU 102 HG2 GLU 102 -7.243 -15.312 -0.111 829 2HG GLU 102 HG1 GLU 102 -8.056 -15.970 1.307 830 H GLY 103 HN GLY 103 -10.288 -15.347 -3.162 831 1HA GLY 103 HA2 GLY 103 -11.921 -15.925 -4.684 832 2HA GLY 103 HA1 GLY 103 -11.990 -17.453 -3.812 833 H ILE 104 HN ILE 104 -14.183 -15.921 -5.023 834 HA ILE 104 HA ILE 104 -15.735 -15.233 -2.605 835 HB ILE 104 HB ILE 104 -16.244 -14.432 -5.478 836 1HG1 ILE 104 HG12 ILE 104 -15.235 -12.787 -3.135 837 2HG1 ILE 104 HG11 ILE 104 -14.211 -13.404 -4.431 838 1HG2 ILE 104 HG21 ILE 104 -17.500 -13.373 -2.936 839 2HG2 ILE 104 HG22 ILE 104 -18.232 -14.660 -3.897 840 3HG2 ILE 104 HG23 ILE 104 -17.999 -13.057 -4.599 841 1HD1 ILE 104 HD11 ILE 104 -15.063 -11.939 -5.993 842 2HD1 ILE 104 HD12 ILE 104 -15.297 -10.961 -4.545 843 3HD1 ILE 104 HD13 ILE 104 -16.648 -11.872 -5.221 844 H PHE 105 HN PHE 105 -17.575 -16.291 -2.128 845 HA PHE 105 HA PHE 105 -18.529 -18.332 -4.045 846 1HB PHE 105 HB2 PHE 105 -18.029 -18.531 -1.091 847 2HB PHE 105 HB1 PHE 105 -19.241 -19.555 -1.860 848 HD1 PHE 105 HD1 PHE 105 -15.671 -18.851 -1.495 849 HD2 PHE 105 HD2 PHE 105 -18.598 -21.150 -3.637 850 HE1 PHE 105 HE1 PHE 105 -13.884 -20.367 -2.311 851 HE2 PHE 105 HE2 PHE 105 -16.814 -22.667 -4.451 852 HZ PHE 105 HZ PHE 105 -14.457 -22.275 -3.788 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -22.624 -7.818 25.954 2 2H GLY 1 HT2 GLY 1 -21.802 -7.616 27.426 3 3H GLY 1 HT3 GLY 1 -22.712 -6.337 26.775 4 1HA GLY 1 HA2 GLY 1 -24.755 -7.524 27.112 5 2HA GLY 1 HA1 GLY 1 -23.847 -8.926 27.680 6 H SER 2 HN SER 2 -22.809 -8.848 29.709 7 HA SER 2 HA SER 2 -24.155 -7.482 31.753 8 1HB SER 2 HB2 SER 2 -21.351 -8.617 31.825 9 2HB SER 2 HB1 SER 2 -22.366 -8.263 33.220 10 HG SER 2 HG SER 2 -23.154 -10.181 32.934 11 H SER 3 HN SER 3 -21.140 -6.897 32.747 12 HA SER 3 HA SER 3 -21.417 -4.035 32.440 13 1HB SER 3 HB2 SER 3 -19.274 -5.727 33.745 14 2HB SER 3 HB1 SER 3 -19.311 -3.967 33.781 15 HG SER 3 HG SER 3 -20.327 -4.703 35.613 16 H LEU 4 HN LEU 4 -20.527 -6.243 30.315 17 HA LEU 4 HA LEU 4 -19.095 -6.365 28.517 18 1HB LEU 4 HB2 LEU 4 -20.549 -4.409 27.967 19 2HB LEU 4 HB1 LEU 4 -19.322 -3.351 28.664 20 HG LEU 4 HG LEU 4 -17.657 -4.362 27.061 21 1HD1 LEU 4 HD11 LEU 4 -18.446 -6.371 26.266 22 2HD1 LEU 4 HD12 LEU 4 -19.087 -5.331 24.995 23 3HD1 LEU 4 HD13 LEU 4 -20.130 -5.849 26.319 24 1HD2 LEU 4 HD21 LEU 4 -18.355 -2.986 25.214 25 2HD2 LEU 4 HD22 LEU 4 -18.931 -2.194 26.681 26 3HD2 LEU 4 HD23 LEU 4 -20.051 -3.119 25.680 27 H SER 5 HN SER 5 -17.138 -7.136 29.101 28 HA SER 5 HA SER 5 -15.260 -5.728 30.710 29 1HB SER 5 HB2 SER 5 -15.513 -8.323 29.719 30 2HB SER 5 HB1 SER 5 -14.063 -7.701 28.938 31 HG SER 5 HG SER 5 -14.320 -8.559 31.406 32 HA PRO 6 HA PRO 6 -13.249 -2.908 28.043 33 1HB PRO 6 HB2 PRO 6 -10.594 -3.943 28.435 34 2HB PRO 6 HB1 PRO 6 -11.331 -2.514 29.174 35 1HG PRO 6 HG2 PRO 6 -10.887 -5.154 30.302 36 2HG PRO 6 HG1 PRO 6 -11.286 -3.634 31.113 37 1HD PRO 6 HD2 PRO 6 -13.028 -5.769 30.856 38 2HD PRO 6 HD1 PRO 6 -13.535 -4.088 31.121 39 H GLN 7 HN GLN 7 -12.713 -2.821 25.890 40 HA GLN 7 HA GLN 7 -12.548 -5.361 24.471 41 1HB GLN 7 HB2 GLN 7 -12.758 -2.510 23.481 42 2HB GLN 7 HB1 GLN 7 -12.767 -3.938 22.445 43 1HG GLN 7 HG2 GLN 7 -14.757 -4.783 23.675 44 2HG GLN 7 HG1 GLN 7 -14.769 -3.300 24.630 45 1HE2 GLN 7 HE21 GLN 7 -16.444 -4.610 22.189 46 2HE2 GLN 7 HE22 GLN 7 -16.763 -3.237 21.243 47 H ALA 8 HN ALA 8 -10.793 -6.140 23.450 48 HA ALA 8 HA ALA 8 -8.212 -5.226 24.140 49 1HB ALA 8 HB1 ALA 8 -7.396 -6.988 22.809 50 2HB ALA 8 HB2 ALA 8 -8.791 -6.937 21.730 51 3HB ALA 8 HB3 ALA 8 -8.964 -7.571 23.366 52 H LEU 9 HN LEU 9 -6.696 -4.044 23.035 53 HA LEU 9 HA LEU 9 -7.727 -2.258 20.982 54 1HB LEU 9 HB2 LEU 9 -5.319 -1.319 21.224 55 2HB LEU 9 HB1 LEU 9 -6.441 -1.109 22.568 56 HG LEU 9 HG LEU 9 -4.873 -3.628 22.571 57 1HD1 LEU 9 HD11 LEU 9 -3.257 -1.812 21.831 58 2HD1 LEU 9 HD12 LEU 9 -2.840 -2.609 23.347 59 3HD1 LEU 9 HD13 LEU 9 -3.578 -1.008 23.367 60 1HD2 LEU 9 HD21 LEU 9 -5.170 -3.458 24.859 61 2HD2 LEU 9 HD22 LEU 9 -6.551 -2.503 24.319 62 3HD2 LEU 9 HD23 LEU 9 -5.074 -1.696 24.845 63 H ALA 10 HN ALA 10 -7.641 -2.834 18.912 64 HA ALA 10 HA ALA 10 -6.024 -4.961 17.922 65 1HB ALA 10 HB1 ALA 10 -7.045 -2.956 15.998 66 2HB ALA 10 HB2 ALA 10 -8.258 -3.728 17.020 67 3HB ALA 10 HB3 ALA 10 -7.212 -4.713 15.997 68 H GLN 11 HN GLN 11 -4.206 -4.883 16.558 69 HA GLN 11 HA GLN 11 -2.490 -2.585 17.021 70 1HB GLN 11 HB2 GLN 11 -1.893 -5.097 15.445 71 2HB GLN 11 HB1 GLN 11 -0.725 -3.931 16.067 72 1HG GLN 11 HG2 GLN 11 -2.628 -5.280 17.960 73 2HG GLN 11 HG1 GLN 11 -1.188 -6.136 17.410 74 1HE2 GLN 11 HE21 GLN 11 0.854 -4.425 17.454 75 2HE2 GLN 11 HE22 GLN 11 1.018 -3.634 18.946 76 HA PRO 12 HA PRO 12 -3.387 -0.521 13.222 77 1HB PRO 12 HB2 PRO 12 -0.671 0.327 12.829 78 2HB PRO 12 HB1 PRO 12 -2.036 1.276 13.433 79 1HG PRO 12 HG2 PRO 12 0.191 0.212 14.882 80 2HG PRO 12 HG1 PRO 12 -1.115 1.251 15.460 81 1HD PRO 12 HD2 PRO 12 -0.711 -1.488 16.083 82 2HD PRO 12 HD1 PRO 12 -2.113 -0.489 16.508 83 H LEU 13 HN LEU 13 -2.885 -0.606 10.927 84 HA LEU 13 HA LEU 13 -1.854 -3.192 10.110 85 1HB LEU 13 HB2 LEU 13 -3.893 -2.047 9.105 86 2HB LEU 13 HB1 LEU 13 -2.770 -0.936 8.329 87 HG LEU 13 HG LEU 13 -2.583 -3.940 8.035 88 1HD1 LEU 13 HD11 LEU 13 -3.468 -3.207 5.651 89 2HD1 LEU 13 HD12 LEU 13 -4.159 -1.862 6.562 90 3HD1 LEU 13 HD13 LEU 13 -4.605 -3.521 6.964 91 1HD2 LEU 13 HD21 LEU 13 -0.554 -3.261 7.235 92 2HD2 LEU 13 HD22 LEU 13 -1.077 -1.585 7.071 93 3HD2 LEU 13 HD23 LEU 13 -1.478 -2.759 5.821 94 H LEU 14 HN LEU 14 0.152 -3.572 9.277 95 HA LEU 14 HA LEU 14 1.925 -1.255 9.087 96 1HB LEU 14 HB2 LEU 14 2.562 -4.210 9.098 97 2HB LEU 14 HB1 LEU 14 3.717 -2.889 9.236 98 HG LEU 14 HG LEU 14 1.570 -3.692 11.202 99 1HD1 LEU 14 HD11 LEU 14 3.372 -4.831 11.980 100 2HD1 LEU 14 HD12 LEU 14 3.902 -3.258 12.576 101 3HD1 LEU 14 HD13 LEU 14 4.509 -3.867 11.036 102 1HD2 LEU 14 HD21 LEU 14 2.509 -1.652 12.497 103 2HD2 LEU 14 HD22 LEU 14 1.367 -1.335 11.189 104 3HD2 LEU 14 HD23 LEU 14 3.097 -1.102 10.929 105 H LEU 15 HN LEU 15 2.072 -0.349 7.217 106 HA LEU 15 HA LEU 15 2.224 -2.006 4.774 107 1HB LEU 15 HB2 LEU 15 0.056 -0.671 5.165 108 2HB LEU 15 HB1 LEU 15 1.036 0.773 4.936 109 HG LEU 15 HG LEU 15 -0.105 0.037 2.851 110 1HD1 LEU 15 HD11 LEU 15 1.668 0.694 1.563 111 2HD1 LEU 15 HD12 LEU 15 2.774 -0.458 2.308 112 3HD1 LEU 15 HD13 LEU 15 2.370 1.043 3.139 113 1HD2 LEU 15 HD21 LEU 15 0.438 -2.490 3.654 114 2HD2 LEU 15 HD22 LEU 15 1.785 -2.239 2.543 115 3HD2 LEU 15 HD23 LEU 15 0.124 -2.069 1.972 116 H GLN 16 HN GLN 16 4.014 -1.599 3.501 117 HA GLN 16 HA GLN 16 5.479 0.905 4.057 118 1HB GLN 16 HB2 GLN 16 6.592 -1.892 3.981 119 2HB GLN 16 HB1 GLN 16 7.609 -0.465 3.757 120 1HG GLN 16 HG2 GLN 16 6.813 0.435 5.917 121 2HG GLN 16 HG1 GLN 16 5.828 -1.010 6.151 122 1HE2 GLN 16 HE21 GLN 16 6.850 -2.790 7.135 123 2HE2 GLN 16 HE22 GLN 16 8.523 -2.904 7.397 124 H LEU 17 HN LEU 17 6.836 1.665 2.378 125 HA LEU 17 HA LEU 17 6.202 0.554 -0.279 126 1HB LEU 17 HB2 LEU 17 4.902 2.609 0.198 127 2HB LEU 17 HB1 LEU 17 6.414 3.478 0.440 128 HG LEU 17 HG LEU 17 7.063 2.695 -1.915 129 1HD1 LEU 17 HD11 LEU 17 4.866 2.362 -3.294 130 2HD1 LEU 17 HD12 LEU 17 4.174 1.873 -1.747 131 3HD1 LEU 17 HD13 LEU 17 5.541 0.984 -2.422 132 1HD2 LEU 17 HD21 LEU 17 5.849 4.536 -2.961 133 2HD2 LEU 17 HD22 LEU 17 6.301 5.012 -1.324 134 3HD2 LEU 17 HD23 LEU 17 4.644 4.517 -1.673 135 H PHE 18 HN PHE 18 7.895 0.167 -1.568 136 HA PHE 18 HA PHE 18 10.560 1.040 -0.673 137 1HB PHE 18 HB2 PHE 18 9.630 -1.055 -2.646 138 2HB PHE 18 HB1 PHE 18 11.319 -0.573 -2.492 139 HD1 PHE 18 HD1 PHE 18 8.506 -2.305 -0.886 140 HD2 PHE 18 HD2 PHE 18 12.590 -1.045 -0.456 141 HE1 PHE 18 HE1 PHE 18 8.776 -3.838 1.045 142 HE2 PHE 18 HE2 PHE 18 12.860 -2.572 1.476 143 HZ PHE 18 HZ PHE 18 10.953 -3.971 2.227 144 H VAL 19 HN VAL 19 11.427 2.802 -1.601 145 HA VAL 19 HA VAL 19 10.783 3.317 -4.432 146 HB VAL 19 HB VAL 19 10.277 5.600 -4.044 147 1HG1 VAL 19 HG11 VAL 19 8.427 4.085 -3.515 148 2HG1 VAL 19 HG12 VAL 19 8.396 5.461 -2.410 149 3HG1 VAL 19 HG13 VAL 19 9.019 3.903 -1.864 150 1HG2 VAL 19 HG21 VAL 19 11.260 5.081 -1.221 151 2HG2 VAL 19 HG22 VAL 19 10.410 6.550 -1.703 152 3HG2 VAL 19 HG23 VAL 19 11.975 6.162 -2.417 153 H ASP 20 HN ASP 20 12.270 4.622 -5.553 154 HA ASP 20 HA ASP 20 14.994 4.525 -4.436 155 1HB ASP 20 HB2 ASP 20 15.763 4.681 -6.736 156 2HB ASP 20 HB1 ASP 20 14.581 3.379 -6.608 157 H THR 21 HN THR 21 12.691 6.554 -4.122 158 HA THR 21 HA THR 21 12.656 8.793 -3.591 159 HB THR 21 HB THR 21 14.610 10.090 -3.548 160 HG1 THR 21 HG1 THR 21 15.027 9.416 -5.861 161 1HG2 THR 21 HG21 THR 21 14.696 7.390 -2.669 162 2HG2 THR 21 HG22 THR 21 15.586 8.767 -2.023 163 3HG2 THR 21 HG23 THR 21 16.293 7.782 -3.304 164 H ARG 22 HN ARG 22 12.422 7.444 -6.479 165 HA ARG 22 HA ARG 22 12.684 9.701 -8.237 166 1HB ARG 22 HB2 ARG 22 11.591 8.305 -9.898 167 2HB ARG 22 HB1 ARG 22 12.800 7.349 -9.043 168 1HG ARG 22 HG2 ARG 22 10.941 6.552 -7.514 169 2HG ARG 22 HG1 ARG 22 9.804 7.328 -8.617 170 1HD ARG 22 HD2 ARG 22 11.645 5.004 -9.156 171 2HD ARG 22 HD1 ARG 22 9.902 5.096 -9.381 172 HE ARG 22 HE ARG 22 11.516 6.893 -11.027 173 1HH1 ARG 22 HH21 ARG 22 10.278 3.696 -10.735 174 2HH1 ARG 22 HH22 ARG 22 9.872 3.541 -12.411 175 1HH2 ARG 22 HH11 ARG 22 10.774 6.793 -13.203 176 2HH2 ARG 22 HH12 ARG 22 10.152 5.293 -13.808 177 HA PRO 23 HA PRO 23 9.059 11.995 -7.333 178 1HB PRO 23 HB2 PRO 23 8.255 12.305 -10.072 179 2HB PRO 23 HB1 PRO 23 9.085 13.476 -9.037 180 1HG PRO 23 HG2 PRO 23 10.148 11.803 -11.146 181 2HG PRO 23 HG1 PRO 23 10.885 13.189 -10.333 182 1HD PRO 23 HD2 PRO 23 11.691 10.546 -10.011 183 2HD PRO 23 HD1 PRO 23 12.042 11.859 -8.870 184 H LEU 24 HN LEU 24 8.747 9.477 -9.827 185 HA LEU 24 HA LEU 24 5.977 9.216 -9.899 186 1HB LEU 24 HB2 LEU 24 7.534 8.019 -11.409 187 2HB LEU 24 HB1 LEU 24 8.021 6.985 -10.065 188 HG LEU 24 HG LEU 24 5.490 6.478 -9.813 189 1HD1 LEU 24 HD11 LEU 24 4.050 7.230 -11.387 190 2HD1 LEU 24 HD12 LEU 24 5.161 6.848 -12.702 191 3HD1 LEU 24 HD13 LEU 24 5.318 8.372 -11.827 192 1HD2 LEU 24 HD21 LEU 24 6.938 4.736 -10.521 193 2HD2 LEU 24 HD22 LEU 24 7.251 5.516 -12.070 194 3HD2 LEU 24 HD23 LEU 24 5.674 4.795 -11.750 195 H SER 25 HN SER 25 8.322 7.731 -7.671 196 HA SER 25 HA SER 25 6.466 6.160 -6.229 197 1HB SER 25 HB2 SER 25 9.038 7.390 -5.215 198 2HB SER 25 HB1 SER 25 8.186 6.014 -4.525 199 HG SER 25 HG SER 25 10.049 5.788 -6.187 200 H GLN 26 HN GLN 26 7.749 9.432 -5.737 201 HA GLN 26 HA GLN 26 6.288 9.999 -3.363 202 1HB GLN 26 HB2 GLN 26 7.398 11.831 -5.511 203 2HB GLN 26 HB1 GLN 26 6.743 12.384 -3.969 204 1HG GLN 26 HG2 GLN 26 8.431 11.073 -2.760 205 2HG GLN 26 HG1 GLN 26 9.068 10.464 -4.286 206 1HE2 GLN 26 HE21 GLN 26 10.797 11.889 -2.581 207 2HE2 GLN 26 HE22 GLN 26 11.142 13.403 -3.267 208 H HIS 27 HN HIS 27 5.677 10.178 -6.773 209 HA HIS 27 HA HIS 27 3.255 11.645 -6.796 210 1HB HIS 27 HB2 HIS 27 4.927 10.701 -8.677 211 2HB HIS 27 HB1 HIS 27 3.722 9.422 -8.726 212 HD1 HIS 27 HD1 HIS 27 1.312 11.487 -8.032 213 HD2 HIS 27 HD2 HIS 27 4.092 11.781 -11.126 214 HE1 HIS 27 HE1 HIS 27 0.252 12.957 -9.805 215 H ILE 28 HN ILE 28 3.904 8.170 -7.028 216 HA ILE 28 HA ILE 28 1.228 7.313 -6.723 217 HB ILE 28 HB ILE 28 3.847 5.876 -6.237 218 1HG1 ILE 28 HG12 ILE 28 1.929 5.763 -8.585 219 2HG1 ILE 28 HG11 ILE 28 3.379 6.768 -8.552 220 1HG2 ILE 28 HG21 ILE 28 1.983 3.974 -6.889 221 2HG2 ILE 28 HG22 ILE 28 1.023 5.079 -5.906 222 3HG2 ILE 28 HG23 ILE 28 2.483 4.348 -5.239 223 1HD1 ILE 28 HD11 ILE 28 3.267 3.751 -8.309 224 2HD1 ILE 28 HD12 ILE 28 4.729 4.711 -8.104 225 3HD1 ILE 28 HD13 ILE 28 3.912 4.674 -9.666 226 H VAL 29 HN VAL 29 3.794 8.070 -4.447 227 HA VAL 29 HA VAL 29 2.782 6.830 -2.159 228 HB VAL 29 HB VAL 29 4.357 9.382 -2.511 229 1HG1 VAL 29 HG11 VAL 29 4.789 8.892 0.041 230 2HG1 VAL 29 HG12 VAL 29 3.223 8.084 -0.049 231 3HG1 VAL 29 HG13 VAL 29 3.355 9.799 -0.443 232 1HG2 VAL 29 HG21 VAL 29 6.148 8.000 -2.473 233 2HG2 VAL 29 HG22 VAL 29 5.019 6.656 -2.639 234 3HG2 VAL 29 HG23 VAL 29 5.549 7.170 -1.038 235 H GLN 30 HN GLN 30 2.056 10.013 -3.561 236 HA GLN 30 HA GLN 30 0.230 10.851 -1.570 237 1HB GLN 30 HB2 GLN 30 0.355 11.503 -4.527 238 2HB GLN 30 HB1 GLN 30 -0.723 12.305 -3.384 239 1HG GLN 30 HG2 GLN 30 2.300 12.231 -3.198 240 2HG GLN 30 HG1 GLN 30 1.334 13.609 -3.722 241 1HE2 GLN 30 HE21 GLN 30 2.904 12.405 -1.039 242 2HE2 GLN 30 HE22 GLN 30 1.989 13.163 0.173 243 H ARG 31 HN ARG 31 -0.142 9.030 -4.586 244 HA ARG 31 HA ARG 31 -2.949 8.727 -4.454 245 1HB ARG 31 HB2 ARG 31 -0.825 6.995 -5.728 246 2HB ARG 31 HB1 ARG 31 -2.559 6.748 -5.944 247 1HG ARG 31 HG2 ARG 31 -2.727 9.117 -6.762 248 2HG ARG 31 HG1 ARG 31 -0.966 9.211 -6.704 249 1HD ARG 31 HD2 ARG 31 -0.881 7.212 -8.220 250 2HD ARG 31 HD1 ARG 31 -2.632 7.317 -8.375 251 HE ARG 31 HE ARG 31 -0.672 9.149 -9.534 252 1HH1 ARG 31 HH11 ARG 31 -3.414 7.707 -10.433 253 2HH1 ARG 31 HH12 ARG 31 -4.322 9.124 -10.844 254 1HH2 ARG 31 HH21 ARG 31 -2.085 11.314 -9.351 255 2HH2 ARG 31 HH22 ARG 31 -3.570 11.166 -10.232 256 H VAL 32 HN VAL 32 -0.267 6.821 -3.145 257 HA VAL 32 HA VAL 32 -1.849 4.698 -2.131 258 HB VAL 32 HB VAL 32 0.853 5.770 -1.287 259 1HG1 VAL 32 HG11 VAL 32 -0.126 4.624 0.613 260 2HG1 VAL 32 HG12 VAL 32 1.062 3.547 -0.123 261 3HG1 VAL 32 HG13 VAL 32 -0.660 3.292 -0.409 262 1HG2 VAL 32 HG21 VAL 32 0.118 4.439 -3.570 263 2HG2 VAL 32 HG22 VAL 32 0.540 3.096 -2.507 264 3HG2 VAL 32 HG23 VAL 32 1.725 4.357 -2.849 265 H LYS 33 HN LYS 33 -0.505 7.609 -0.561 266 HA LYS 33 HA LYS 33 -1.724 7.222 1.949 267 1HB LYS 33 HB2 LYS 33 -0.803 9.724 0.534 268 2HB LYS 33 HB1 LYS 33 -1.352 9.689 2.206 269 1HG LYS 33 HG2 LYS 33 0.395 7.942 2.675 270 2HG LYS 33 HG1 LYS 33 1.004 8.189 1.037 271 1HD LYS 33 HD2 LYS 33 1.330 10.602 1.553 272 2HD LYS 33 HD1 LYS 33 0.811 10.291 3.210 273 1HE LYS 33 HE2 LYS 33 2.688 8.451 3.157 274 2HE LYS 33 HE1 LYS 33 3.324 9.410 1.820 275 1HZ LYS 33 HZ1 LYS 33 3.963 11.030 3.188 276 2HZ LYS 33 HZ2 LYS 33 3.784 9.892 4.436 277 3HZ LYS 33 HZ3 LYS 33 2.528 10.983 4.090 278 H ASN 34 HN ASN 34 -2.775 8.965 -0.948 279 HA ASN 34 HA ASN 34 -5.092 10.134 0.127 280 1HB ASN 34 HB2 ASN 34 -4.462 9.284 -2.707 281 2HB ASN 34 HB1 ASN 34 -5.796 10.332 -2.242 282 1HD2 ASN 34 HD21 ASN 34 -3.115 10.806 -3.795 283 2HD2 ASN 34 HD22 ASN 34 -2.472 12.189 -3.045 284 H ILE 35 HN ILE 35 -4.640 7.042 -1.583 285 HA ILE 35 HA ILE 35 -7.392 6.307 -1.506 286 HB ILE 35 HB ILE 35 -4.907 4.630 -1.842 287 1HG1 ILE 35 HG12 ILE 35 -6.943 5.562 -3.885 288 2HG1 ILE 35 HG11 ILE 35 -5.429 6.408 -3.577 289 1HG2 ILE 35 HG21 ILE 35 -6.478 3.029 -1.243 290 2HG2 ILE 35 HG22 ILE 35 -6.773 3.134 -2.978 291 3HG2 ILE 35 HG23 ILE 35 -7.831 3.980 -1.851 292 1HD1 ILE 35 HD11 ILE 35 -4.129 4.519 -4.275 293 2HD1 ILE 35 HD12 ILE 35 -5.374 4.742 -5.503 294 3HD1 ILE 35 HD13 ILE 35 -5.546 3.471 -4.292 295 H LEU 36 HN LEU 36 -4.601 5.393 0.529 296 HA LEU 36 HA LEU 36 -5.966 3.607 2.212 297 1HB LEU 36 HB2 LEU 36 -3.620 5.430 2.799 298 2HB LEU 36 HB1 LEU 36 -4.170 4.142 3.871 299 HG LEU 36 HG LEU 36 -3.365 3.697 0.984 300 1HD1 LEU 36 HD11 LEU 36 -1.242 2.929 1.777 301 2HD1 LEU 36 HD12 LEU 36 -1.768 3.003 3.459 302 3HD1 LEU 36 HD13 LEU 36 -1.507 4.492 2.550 303 1HD2 LEU 36 HD21 LEU 36 -4.724 1.898 1.590 304 2HD2 LEU 36 HD22 LEU 36 -4.230 1.967 3.282 305 3HD2 LEU 36 HD23 LEU 36 -3.131 1.310 2.068 306 H ALA 37 HN ALA 37 -5.528 7.109 2.388 307 HA ALA 37 HA ALA 37 -6.917 7.450 4.859 308 1HB ALA 37 HB1 ALA 37 -5.510 9.246 4.291 309 2HB ALA 37 HB2 ALA 37 -7.121 9.868 3.936 310 3HB ALA 37 HB3 ALA 37 -6.090 9.294 2.625 311 H ALA 38 HN ALA 38 -7.880 6.592 1.768 312 HA ALA 38 HA ALA 38 -10.497 7.846 1.867 313 1HB ALA 38 HB1 ALA 38 -9.760 5.718 -0.104 314 2HB ALA 38 HB2 ALA 38 -9.016 7.311 -0.240 315 3HB ALA 38 HB3 ALA 38 -10.769 7.146 -0.326 316 H VAL 39 HN VAL 39 -9.437 5.690 3.803 317 HA VAL 39 HA VAL 39 -11.927 4.191 3.813 318 HB VAL 39 HB VAL 39 -10.490 2.771 2.458 319 1HG1 VAL 39 HG11 VAL 39 -8.272 3.175 2.913 320 2HG1 VAL 39 HG12 VAL 39 -8.496 1.770 3.955 321 3HG1 VAL 39 HG13 VAL 39 -8.554 3.392 4.639 322 1HG2 VAL 39 HG21 VAL 39 -12.039 1.683 4.026 323 2HG2 VAL 39 HG22 VAL 39 -10.823 1.760 5.300 324 3HG2 VAL 39 HG23 VAL 39 -10.554 0.742 3.886 325 H GLU 40 HN GLU 40 -8.941 5.126 5.408 326 HA GLU 40 HA GLU 40 -8.301 4.939 7.643 327 1HB GLU 40 HB2 GLU 40 -11.083 6.131 7.751 328 2HB GLU 40 HB1 GLU 40 -9.947 6.140 9.102 329 1HG GLU 40 HG2 GLU 40 -9.415 7.340 6.369 330 2HG GLU 40 HG1 GLU 40 -9.851 8.258 7.811 331 H ALA 41 HN ALA 41 -11.599 4.604 8.653 332 HA ALA 41 HA ALA 41 -12.803 2.783 9.450 333 1HB ALA 41 HB1 ALA 41 -12.213 0.608 8.894 334 2HB ALA 41 HB2 ALA 41 -10.484 0.938 9.001 335 3HB ALA 41 HB3 ALA 41 -11.409 1.519 7.615 336 H THR 42 HN THR 42 -12.281 0.874 11.156 337 HA THR 42 HA THR 42 -11.233 2.247 13.458 338 HB THR 42 HB THR 42 -11.866 0.215 14.677 339 HG1 THR 42 HG1 THR 42 -12.840 -0.937 12.336 340 1HG2 THR 42 HG21 THR 42 -14.095 0.675 14.545 341 2HG2 THR 42 HG22 THR 42 -14.141 0.443 12.796 342 3HG2 THR 42 HG23 THR 42 -13.558 1.965 13.468 343 H VAL 43 HN VAL 43 -9.734 0.689 10.971 344 HA VAL 43 HA VAL 43 -7.484 -0.155 12.687 345 HB VAL 43 HB VAL 43 -6.997 -1.680 10.659 346 1HG1 VAL 43 HG11 VAL 43 -7.646 -2.559 12.834 347 2HG1 VAL 43 HG12 VAL 43 -8.554 -3.412 11.586 348 3HG1 VAL 43 HG13 VAL 43 -9.334 -2.143 12.531 349 1HG2 VAL 43 HG21 VAL 43 -8.737 -0.567 9.229 350 2HG2 VAL 43 HG22 VAL 43 -9.971 -1.246 10.290 351 3HG2 VAL 43 HG23 VAL 43 -8.934 -2.315 9.347 352 HA PRO 44 HA PRO 44 -6.261 3.388 9.824 353 1HB PRO 44 HB2 PRO 44 -4.295 4.050 11.815 354 2HB PRO 44 HB1 PRO 44 -5.713 4.988 11.327 355 1HG PRO 44 HG2 PRO 44 -5.307 3.385 13.694 356 2HG PRO 44 HG1 PRO 44 -6.606 4.524 13.319 357 1HD PRO 44 HD2 PRO 44 -6.874 1.751 13.456 358 2HD PRO 44 HD1 PRO 44 -8.024 2.857 12.681 359 H ILE 45 HN ILE 45 -4.443 3.369 8.488 360 HA ILE 45 HA ILE 45 -2.594 1.115 8.929 361 HB ILE 45 HB ILE 45 -3.043 2.633 6.360 362 1HG1 ILE 45 HG12 ILE 45 -4.252 0.245 5.955 363 2HG1 ILE 45 HG11 ILE 45 -4.601 0.463 7.672 364 1HG2 ILE 45 HG21 ILE 45 -1.215 0.585 7.253 365 2HG2 ILE 45 HG22 ILE 45 -1.303 1.373 5.676 366 3HG2 ILE 45 HG23 ILE 45 -2.262 -0.071 5.994 367 1HD1 ILE 45 HD11 ILE 45 -5.558 2.684 7.208 368 2HD1 ILE 45 HD12 ILE 45 -6.383 1.447 6.260 369 3HD1 ILE 45 HD13 ILE 45 -5.189 2.494 5.494 370 H SER 46 HN SER 46 -0.408 1.393 8.949 371 HA SER 46 HA SER 46 0.549 4.185 9.001 372 1HB SER 46 HB2 SER 46 0.949 2.803 11.038 373 2HB SER 46 HB1 SER 46 1.890 1.682 10.058 374 HG SER 46 HG SER 46 2.976 3.852 9.444 375 H LEU 47 HN LEU 47 1.611 4.859 7.247 376 HA LEU 47 HA LEU 47 2.701 2.838 5.405 377 1HB LEU 47 HB2 LEU 47 1.035 4.801 4.791 378 2HB LEU 47 HB1 LEU 47 2.522 5.745 4.719 379 HG LEU 47 HG LEU 47 1.796 3.293 3.102 380 1HD1 LEU 47 HD11 LEU 47 2.280 4.810 1.217 381 2HD1 LEU 47 HD12 LEU 47 2.683 6.096 2.354 382 3HD1 LEU 47 HD13 LEU 47 1.032 5.484 2.264 383 1HD2 LEU 47 HD21 LEU 47 4.060 2.872 3.689 384 2HD2 LEU 47 HD22 LEU 47 4.490 4.579 3.585 385 3HD2 LEU 47 HD23 LEU 47 4.149 3.664 2.118 386 H GLN 48 HN GLN 48 4.828 2.531 5.283 387 HA GLN 48 HA GLN 48 6.616 4.738 6.092 388 1HB GLN 48 HB2 GLN 48 6.333 2.199 7.358 389 2HB GLN 48 HB1 GLN 48 7.898 2.223 6.546 390 1HG GLN 48 HG2 GLN 48 8.318 3.157 8.684 391 2HG GLN 48 HG1 GLN 48 8.227 4.542 7.597 392 1HE2 GLN 48 HE21 GLN 48 6.957 6.200 8.417 393 2HE2 GLN 48 HE22 GLN 48 5.627 5.990 9.451 394 H VAL 49 HN VAL 49 8.194 5.189 4.676 395 HA VAL 49 HA VAL 49 8.345 3.540 2.252 396 HB VAL 49 HB VAL 49 9.573 6.258 2.734 397 1HG1 VAL 49 HG11 VAL 49 9.086 6.013 0.063 398 2HG1 VAL 49 HG12 VAL 49 9.437 4.337 0.487 399 3HG1 VAL 49 HG13 VAL 49 10.624 5.597 0.821 400 1HG2 VAL 49 HG21 VAL 49 7.634 7.220 1.701 401 2HG2 VAL 49 HG22 VAL 49 7.028 6.138 2.954 402 3HG2 VAL 49 HG23 VAL 49 6.998 5.634 1.265 403 H ILE 50 HN ILE 50 10.122 2.462 1.654 404 HA ILE 50 HA ILE 50 12.477 2.657 3.426 405 HB ILE 50 HB ILE 50 11.635 0.292 1.738 406 1HG1 ILE 50 HG12 ILE 50 11.166 0.909 4.668 407 2HG1 ILE 50 HG11 ILE 50 9.935 0.660 3.432 408 1HG2 ILE 50 HG21 ILE 50 14.070 0.898 2.824 409 2HG2 ILE 50 HG22 ILE 50 13.498 -0.742 2.520 410 3HG2 ILE 50 HG23 ILE 50 13.329 -0.032 4.126 411 1HD1 ILE 50 HD11 ILE 50 11.562 -1.331 4.898 412 2HD1 ILE 50 HD12 ILE 50 11.363 -1.642 3.175 413 3HD1 ILE 50 HD13 ILE 50 9.946 -1.483 4.211 414 H ASN 51 HN ASN 51 14.302 3.363 2.498 415 HA ASN 51 HA ASN 51 14.289 3.962 -0.330 416 1HB ASN 51 HB2 ASN 51 16.016 4.617 2.003 417 2HB ASN 51 HB1 ASN 51 16.781 4.624 0.414 418 1HD2 ASN 51 HD21 ASN 51 16.576 7.082 1.687 419 2HD2 ASN 51 HD22 ASN 51 15.378 8.027 0.945 420 H VAL 52 HN VAL 52 14.548 2.215 -1.611 421 HA VAL 52 HA VAL 52 15.972 -0.119 -0.984 422 HB VAL 52 HB VAL 52 15.847 -0.617 -3.382 423 1HG1 VAL 52 HG11 VAL 52 13.504 0.580 -1.939 424 2HG1 VAL 52 HG12 VAL 52 13.796 -1.100 -2.385 425 3HG1 VAL 52 HG13 VAL 52 13.301 0.065 -3.613 426 1HG2 VAL 52 HG21 VAL 52 16.195 1.172 -4.740 427 2HG2 VAL 52 HG22 VAL 52 15.666 2.317 -3.507 428 3HG2 VAL 52 HG23 VAL 52 14.475 1.494 -4.514 429 H ALA 53 HN ALA 53 17.033 2.925 -2.368 430 HA ALA 53 HA ALA 53 19.591 1.992 -3.236 431 1HB ALA 53 HB1 ALA 53 19.480 3.980 -4.266 432 2HB ALA 53 HB2 ALA 53 19.743 4.758 -2.706 433 3HB ALA 53 HB3 ALA 53 18.101 4.460 -3.277 434 H ASP 54 HN ASP 54 18.243 3.079 -0.226 435 HA ASP 54 HA ASP 54 20.876 3.460 0.961 436 1HB ASP 54 HB2 ASP 54 18.085 3.776 2.072 437 2HB ASP 54 HB1 ASP 54 19.556 4.067 2.999 438 H GLN 55 HN GLN 55 18.463 1.030 0.660 439 HA GLN 55 HA GLN 55 20.090 -0.810 2.210 440 1HB GLN 55 HB2 GLN 55 18.296 -1.481 3.718 441 2HB GLN 55 HB1 GLN 55 18.636 0.239 3.916 442 1HG GLN 55 HG2 GLN 55 16.704 0.031 1.854 443 2HG GLN 55 HG1 GLN 55 16.167 -1.024 3.158 444 1HE2 GLN 55 HE21 GLN 55 15.050 0.004 4.814 445 2HE2 GLN 55 HE22 GLN 55 15.110 1.668 5.137 446 HA PRO 56 HA PRO 56 17.939 -2.733 -1.391 447 1HB PRO 56 HB2 PRO 56 20.496 -3.800 -2.173 448 2HB PRO 56 HB1 PRO 56 19.521 -2.577 -3.005 449 1HG PRO 56 HG2 PRO 56 21.947 -2.115 -1.790 450 2HG PRO 56 HG1 PRO 56 20.736 -0.876 -2.154 451 1HD PRO 56 HD2 PRO 56 21.356 -2.193 0.459 452 2HD PRO 56 HD1 PRO 56 20.809 -0.532 0.130 453 H GLN 57 HN GLN 57 19.646 -3.793 1.304 454 HA GLN 57 HA GLN 57 19.960 -6.553 0.781 455 1HB GLN 57 HB2 GLN 57 21.125 -5.385 2.597 456 2HB GLN 57 HB1 GLN 57 19.589 -5.143 3.431 457 1HG GLN 57 HG2 GLN 57 19.276 -7.611 3.506 458 2HG GLN 57 HG1 GLN 57 20.861 -7.812 2.759 459 1HE2 GLN 57 HE21 GLN 57 21.344 -5.140 4.569 460 2HE2 GLN 57 HE22 GLN 57 21.832 -5.845 6.035 461 H LEU 58 HN LEU 58 17.285 -4.800 2.430 462 HA LEU 58 HA LEU 58 15.852 -7.248 2.870 463 1HB LEU 58 HB2 LEU 58 13.903 -5.460 3.189 464 2HB LEU 58 HB1 LEU 58 15.120 -5.748 4.429 465 HG LEU 58 HG LEU 58 16.413 -3.846 3.676 466 1HD1 LEU 58 HD11 LEU 58 16.249 -3.748 1.378 467 2HD1 LEU 58 HD12 LEU 58 15.164 -2.431 1.817 468 3HD1 LEU 58 HD13 LEU 58 14.507 -4.009 1.377 469 1HD2 LEU 58 HD21 LEU 58 15.036 -2.244 4.588 470 2HD2 LEU 58 HD22 LEU 58 14.052 -3.655 4.969 471 3HD2 LEU 58 HD23 LEU 58 13.677 -2.677 3.550 472 H VAL 59 HN VAL 59 16.163 -5.045 0.238 473 HA VAL 59 HA VAL 59 13.696 -5.498 -1.078 474 HB VAL 59 HB VAL 59 16.405 -4.894 -2.289 475 1HG1 VAL 59 HG11 VAL 59 13.641 -4.282 -3.340 476 2HG1 VAL 59 HG12 VAL 59 14.554 -5.714 -3.814 477 3HG1 VAL 59 HG13 VAL 59 15.175 -4.108 -4.192 478 1HG2 VAL 59 HG21 VAL 59 15.458 -2.526 -2.256 479 2HG2 VAL 59 HG22 VAL 59 15.915 -3.181 -0.686 480 3HG2 VAL 59 HG23 VAL 59 14.218 -3.133 -1.157 481 H GLU 60 HN GLU 60 16.882 -7.080 -1.335 482 HA GLU 60 HA GLU 60 16.013 -9.034 -3.233 483 1HB GLU 60 HB2 GLU 60 18.400 -8.858 -1.415 484 2HB GLU 60 HB1 GLU 60 18.121 -10.230 -2.492 485 1HG GLU 60 HG2 GLU 60 18.272 -7.329 -3.355 486 2HG GLU 60 HG1 GLU 60 19.535 -8.526 -3.562 487 H TYR 61 HN TYR 61 16.144 -8.850 0.270 488 HA TYR 61 HA TYR 61 15.718 -11.530 0.935 489 1HB TYR 61 HB2 TYR 61 16.229 -9.870 2.637 490 2HB TYR 61 HB1 TYR 61 14.720 -9.020 2.297 491 HD1 TYR 61 HD1 TYR 61 16.096 -12.286 3.468 492 HD2 TYR 61 HD2 TYR 61 12.700 -9.662 3.313 493 HE1 TYR 61 HE1 TYR 61 14.889 -13.757 5.058 494 HE2 TYR 61 HE2 TYR 61 11.491 -11.132 4.905 495 HH TYR 61 HH TYR 61 12.357 -14.225 5.569 496 H TYR 62 HN TYR 62 13.444 -8.973 0.074 497 HA TYR 62 HA TYR 62 11.138 -10.718 0.313 498 1HB TYR 62 HB2 TYR 62 11.499 -7.888 -0.687 499 2HB TYR 62 HB1 TYR 62 9.946 -8.704 -0.596 500 HD1 TYR 62 HD1 TYR 62 11.931 -6.426 1.042 501 HD2 TYR 62 HD2 TYR 62 9.688 -10.001 1.839 502 HE1 TYR 62 HE1 TYR 62 11.751 -5.779 3.425 503 HE2 TYR 62 HE2 TYR 62 9.510 -9.356 4.228 504 HH TYR 62 HH TYR 62 9.975 -6.378 5.365 505 H ARG 63 HN ARG 63 13.553 -10.794 -1.755 506 HA ARG 63 HA ARG 63 13.833 -11.488 -3.928 507 1HB ARG 63 HB2 ARG 63 10.981 -12.301 -3.390 508 2HB ARG 63 HB1 ARG 63 11.689 -12.509 -4.991 509 1HG ARG 63 HG2 ARG 63 12.890 -14.296 -4.319 510 2HG ARG 63 HG1 ARG 63 13.496 -13.433 -2.904 511 1HD ARG 63 HD2 ARG 63 12.178 -15.387 -2.213 512 2HD ARG 63 HD1 ARG 63 11.379 -13.896 -1.719 513 HE ARG 63 HE ARG 63 9.809 -14.224 -3.541 514 1HH1 ARG 63 HH21 ARG 63 12.213 -16.674 -3.465 515 2HH1 ARG 63 HH22 ARG 63 11.154 -17.940 -3.989 516 1HH2 ARG 63 HH11 ARG 63 8.321 -15.942 -3.964 517 2HH2 ARG 63 HH12 ARG 63 8.951 -17.525 -4.272 518 H LEU 64 HN LEU 64 12.325 -8.909 -2.933 519 HA LEU 64 HA LEU 64 10.867 -7.854 -5.099 520 1HB LEU 64 HB2 LEU 64 11.097 -7.069 -2.634 521 2HB LEU 64 HB1 LEU 64 12.533 -6.220 -3.185 522 HG LEU 64 HG LEU 64 10.472 -4.811 -3.168 523 1HD1 LEU 64 HD11 LEU 64 11.279 -3.630 -4.910 524 2HD1 LEU 64 HD12 LEU 64 11.030 -4.956 -6.044 525 3HD1 LEU 64 HD13 LEU 64 12.477 -4.915 -5.040 526 1HD2 LEU 64 HD21 LEU 64 9.152 -6.959 -4.061 527 2HD2 LEU 64 HD22 LEU 64 9.504 -6.205 -5.618 528 3HD2 LEU 64 HD23 LEU 64 8.595 -5.318 -4.394 529 H VAL 65 HN VAL 65 11.513 -6.844 -6.956 530 HA VAL 65 HA VAL 65 14.337 -6.104 -7.255 531 HB VAL 65 HB VAL 65 13.201 -7.558 -9.565 532 1HG1 VAL 65 HG11 VAL 65 15.500 -6.592 -9.467 533 2HG1 VAL 65 HG12 VAL 65 15.512 -8.337 -9.718 534 3HG1 VAL 65 HG13 VAL 65 15.869 -7.673 -8.124 535 1HG2 VAL 65 HG21 VAL 65 13.726 -9.755 -8.575 536 2HG2 VAL 65 HG22 VAL 65 12.451 -8.954 -7.656 537 3HG2 VAL 65 HG23 VAL 65 14.103 -8.981 -7.037 538 H VAL 66 HN VAL 66 11.085 -5.391 -7.794 539 HA VAL 66 HA VAL 66 11.773 -3.509 -9.953 540 HB VAL 66 HB VAL 66 9.299 -3.501 -10.368 541 1HG1 VAL 66 HG11 VAL 66 10.849 -6.088 -10.592 542 2HG1 VAL 66 HG12 VAL 66 10.694 -4.826 -11.814 543 3HG1 VAL 66 HG13 VAL 66 9.299 -5.818 -11.389 544 1HG2 VAL 66 HG21 VAL 66 8.915 -4.472 -7.976 545 2HG2 VAL 66 HG22 VAL 66 9.198 -6.029 -8.754 546 3HG2 VAL 66 HG23 VAL 66 7.868 -5.003 -9.291 547 H THR 67 HN THR 67 11.273 -1.371 -9.727 548 HA THR 67 HA THR 67 9.879 -0.528 -7.292 549 HB THR 67 HB THR 67 11.565 1.291 -6.973 550 HG1 THR 67 HG1 THR 67 13.533 -0.037 -8.268 551 1HG2 THR 67 HG21 THR 67 11.785 -0.497 -5.466 552 2HG2 THR 67 HG22 THR 67 13.394 -0.383 -6.180 553 3HG2 THR 67 HG23 THR 67 12.270 -1.625 -6.732 554 HA PRO 68 HA PRO 68 9.419 1.543 -6.417 555 1HB PRO 68 HB2 PRO 68 6.711 2.491 -6.565 556 2HB PRO 68 HB1 PRO 68 8.162 3.393 -6.107 557 1HG PRO 68 HG2 PRO 68 6.657 3.742 -8.418 558 2HG PRO 68 HG1 PRO 68 8.270 4.390 -8.107 559 1HD PRO 68 HD2 PRO 68 7.462 2.121 -9.820 560 2HD PRO 68 HD1 PRO 68 8.933 3.114 -9.883 561 H ALA 69 HN ALA 69 8.248 0.366 -4.829 562 HA ALA 69 HA ALA 69 6.143 -1.451 -5.743 563 1HB ALA 69 HB1 ALA 69 8.816 -2.338 -4.641 564 2HB ALA 69 HB2 ALA 69 8.070 -2.802 -6.169 565 3HB ALA 69 HB3 ALA 69 7.391 -3.374 -4.644 566 H LEU 70 HN LEU 70 4.822 -2.156 -4.080 567 HA LEU 70 HA LEU 70 5.364 -1.037 -1.406 568 1HB LEU 70 HB2 LEU 70 3.522 0.067 -2.799 569 2HB LEU 70 HB1 LEU 70 2.622 -1.431 -2.584 570 HG LEU 70 HG LEU 70 3.781 0.119 -0.265 571 1HD1 LEU 70 HD11 LEU 70 1.635 0.890 -1.959 572 2HD1 LEU 70 HD12 LEU 70 2.102 1.607 -0.417 573 3HD1 LEU 70 HD13 LEU 70 0.917 0.302 -0.460 574 1HD2 LEU 70 HD21 LEU 70 3.221 -1.865 0.701 575 2HD2 LEU 70 HD22 LEU 70 2.189 -2.340 -0.648 576 3HD2 LEU 70 HD23 LEU 70 1.575 -1.251 0.590 577 H VAL 71 HN VAL 71 5.224 -2.445 0.293 578 HA VAL 71 HA VAL 71 4.010 -5.072 -0.271 579 HB VAL 71 HB VAL 71 6.556 -4.662 1.295 580 1HG1 VAL 71 HG11 VAL 71 6.688 -7.033 1.335 581 2HG1 VAL 71 HG12 VAL 71 5.436 -7.202 0.104 582 3HG1 VAL 71 HG13 VAL 71 5.008 -6.666 1.729 583 1HG2 VAL 71 HG21 VAL 71 6.031 -5.042 -1.611 584 2HG2 VAL 71 HG22 VAL 71 7.307 -6.042 -0.917 585 3HG2 VAL 71 HG23 VAL 71 7.408 -4.285 -0.809 586 H LYS 72 HN LYS 72 2.594 -5.758 1.158 587 HA LYS 72 HA LYS 72 2.259 -4.303 3.684 588 1HB LYS 72 HB2 LYS 72 0.281 -4.770 2.200 589 2HB LYS 72 HB1 LYS 72 0.520 -6.491 2.505 590 1HG LYS 72 HG2 LYS 72 0.534 -4.954 4.981 591 2HG LYS 72 HG1 LYS 72 -0.966 -4.724 4.083 592 1HD LYS 72 HD2 LYS 72 0.212 -7.463 4.576 593 2HD LYS 72 HD1 LYS 72 -0.918 -6.708 5.699 594 1HE LYS 72 HE2 LYS 72 -2.664 -7.259 4.391 595 2HE LYS 72 HE1 LYS 72 -1.916 -6.480 2.997 596 1HZ LYS 72 HZ1 LYS 72 -0.441 -8.640 3.091 597 2HZ LYS 72 HZ2 LYS 72 -1.932 -8.615 2.276 598 3HZ LYS 72 HZ3 LYS 72 -1.825 -9.278 3.837 599 H ILE 73 HN ILE 73 2.898 -5.137 5.589 600 HA ILE 73 HA ILE 73 4.009 -7.854 5.552 601 HB ILE 73 HB ILE 73 4.768 -6.943 7.953 602 1HG1 ILE 73 HG12 ILE 73 3.426 -4.771 7.210 603 2HG1 ILE 73 HG11 ILE 73 4.935 -4.635 8.109 604 1HG2 ILE 73 HG21 ILE 73 6.778 -5.923 6.592 605 2HG2 ILE 73 HG22 ILE 73 5.918 -6.583 5.200 606 3HG2 ILE 73 HG23 ILE 73 6.449 -7.654 6.497 607 1HD1 ILE 73 HD11 ILE 73 4.624 -3.212 5.935 608 2HD1 ILE 73 HD12 ILE 73 4.975 -4.726 5.102 609 3HD1 ILE 73 HD13 ILE 73 6.162 -4.032 6.204 610 H GLY 74 HN GLY 74 1.370 -6.018 6.914 611 1HA GLY 74 HA2 GLY 74 -0.292 -8.004 7.549 612 2HA GLY 74 HA1 GLY 74 0.816 -8.079 8.913 613 HA PRO 75 HA PRO 75 -0.562 -8.508 10.572 614 1HB PRO 75 HB2 PRO 75 -3.404 -8.586 10.982 615 2HB PRO 75 HB1 PRO 75 -2.126 -8.449 12.196 616 1HG PRO 75 HG2 PRO 75 -3.940 -6.450 11.308 617 2HG PRO 75 HG1 PRO 75 -2.666 -6.316 12.524 618 1HD PRO 75 HD2 PRO 75 -2.712 -5.173 9.895 619 2HD PRO 75 HD1 PRO 75 -1.429 -5.058 11.115 620 H GLY 76 HN GLY 76 -1.541 -10.616 9.998 621 1HA GLY 76 HA2 GLY 76 -2.818 -12.019 8.569 622 2HA GLY 76 HA1 GLY 76 -3.074 -10.649 7.494 623 H SER 77 HN SER 77 -2.443 -12.386 5.899 624 HA SER 77 HA SER 77 0.233 -13.331 5.780 625 1HB SER 77 HB2 SER 77 -1.249 -14.604 4.530 626 2HB SER 77 HB1 SER 77 -2.042 -13.194 3.833 627 HG SER 77 HG SER 77 -0.730 -13.562 2.227 628 H ARG 78 HN ARG 78 1.817 -12.810 4.178 629 HA ARG 78 HA ARG 78 2.080 -9.914 3.824 630 1HB ARG 78 HB2 ARG 78 3.948 -11.319 4.765 631 2HB ARG 78 HB1 ARG 78 4.086 -12.089 3.185 632 1HG ARG 78 HG2 ARG 78 4.548 -9.926 2.136 633 2HG ARG 78 HG1 ARG 78 4.339 -9.111 3.685 634 1HD ARG 78 HD2 ARG 78 6.707 -9.405 3.337 635 2HD ARG 78 HD1 ARG 78 6.209 -10.527 4.599 636 HE ARG 78 HE ARG 78 6.403 -11.465 1.807 637 1HH1 ARG 78 HH11 ARG 78 6.391 -12.397 5.021 638 2HH1 ARG 78 HH12 ARG 78 7.749 -13.466 4.917 639 1HH2 ARG 78 HH21 ARG 78 8.619 -12.477 1.709 640 2HH2 ARG 78 HH22 ARG 78 9.011 -13.511 3.041 641 H GLN 79 HN GLN 79 2.166 -8.899 1.863 642 HA GLN 79 HA GLN 79 2.063 -10.528 -0.583 643 1HB GLN 79 HB2 GLN 79 0.066 -8.352 0.093 644 2HB GLN 79 HB1 GLN 79 0.167 -9.215 -1.443 645 1HG GLN 79 HG2 GLN 79 -0.207 -11.358 -0.215 646 2HG GLN 79 HG1 GLN 79 -0.431 -10.431 1.267 647 1HE2 GLN 79 HE21 GLN 79 -1.653 -8.469 -1.109 648 2HE2 GLN 79 HE22 GLN 79 -3.277 -8.965 -1.075 649 H VAL 80 HN VAL 80 2.599 -9.300 -2.515 650 HA VAL 80 HA VAL 80 4.051 -6.797 -1.894 651 HB VAL 80 HB VAL 80 4.842 -8.915 -3.903 652 1HG1 VAL 80 HG11 VAL 80 6.903 -7.056 -3.114 653 2HG1 VAL 80 HG12 VAL 80 5.498 -6.167 -3.700 654 3HG1 VAL 80 HG13 VAL 80 6.266 -7.378 -4.727 655 1HG2 VAL 80 HG21 VAL 80 5.058 -9.205 -1.236 656 2HG2 VAL 80 HG22 VAL 80 6.502 -8.234 -1.520 657 3HG2 VAL 80 HG23 VAL 80 6.302 -9.780 -2.345 658 H LEU 81 HN LEU 81 3.492 -5.074 -3.033 659 HA LEU 81 HA LEU 81 1.994 -5.452 -5.565 660 1HB LEU 81 HB2 LEU 81 1.789 -3.053 -3.746 661 2HB LEU 81 HB1 LEU 81 0.716 -3.506 -5.067 662 HG LEU 81 HG LEU 81 1.082 -5.054 -2.483 663 1HD1 LEU 81 HD11 LEU 81 -1.492 -4.348 -2.478 664 2HD1 LEU 81 HD12 LEU 81 -0.873 -3.010 -3.446 665 3HD1 LEU 81 HD13 LEU 81 -0.249 -3.285 -1.820 666 1HD2 LEU 81 HD21 LEU 81 -0.790 -5.458 -4.837 667 2HD2 LEU 81 HD22 LEU 81 -0.833 -6.375 -3.328 668 3HD2 LEU 81 HD23 LEU 81 0.556 -6.511 -4.398 669 H SER 82 HN SER 82 3.020 -4.657 -7.329 670 HA SER 82 HA SER 82 4.639 -2.265 -7.112 671 1HB SER 82 HB2 SER 82 6.240 -3.977 -6.402 672 2HB SER 82 HB1 SER 82 5.930 -4.892 -7.870 673 HG SER 82 HG SER 82 7.134 -3.537 -8.947 674 H GLY 83 HN GLY 83 5.857 -1.971 -9.301 675 1HA GLY 83 HA2 GLY 83 5.810 -1.980 -11.645 676 2HA GLY 83 HA1 GLY 83 4.411 -3.045 -11.592 677 H ILE 84 HN ILE 84 5.080 0.163 -10.239 678 HA ILE 84 HA ILE 84 3.766 2.046 -10.121 679 HB ILE 84 HB ILE 84 3.458 3.092 -12.235 680 1HG1 ILE 84 HG12 ILE 84 3.731 0.367 -13.542 681 2HG1 ILE 84 HG11 ILE 84 2.180 1.158 -13.263 682 1HG2 ILE 84 HG21 ILE 84 5.712 1.131 -12.685 683 2HG2 ILE 84 HG22 ILE 84 5.812 2.414 -11.479 684 3HG2 ILE 84 HG23 ILE 84 5.626 2.821 -13.185 685 1HD1 ILE 84 HD11 ILE 84 2.532 2.054 -15.323 686 2HD1 ILE 84 HD12 ILE 84 4.269 1.758 -15.261 687 3HD1 ILE 84 HD13 ILE 84 3.586 3.171 -14.457 688 H ASP 85 HN ASP 85 2.302 -0.817 -10.462 689 HA ASP 85 HA ASP 85 -0.391 0.288 -10.928 690 1HB ASP 85 HB2 ASP 85 -1.128 -2.009 -11.175 691 2HB ASP 85 HB1 ASP 85 0.285 -1.758 -12.197 692 H LEU 86 HN LEU 86 1.577 0.229 -8.497 693 HA LEU 86 HA LEU 86 0.661 -1.224 -6.379 694 1HB LEU 86 HB2 LEU 86 1.453 1.690 -6.244 695 2HB LEU 86 HB1 LEU 86 1.563 0.498 -4.955 696 HG LEU 86 HG LEU 86 2.991 -0.824 -6.775 697 1HD1 LEU 86 HD11 LEU 86 2.603 1.683 -8.046 698 2HD1 LEU 86 HD12 LEU 86 3.676 0.381 -8.552 699 3HD1 LEU 86 HD13 LEU 86 4.276 1.657 -7.497 700 1HD2 LEU 86 HD21 LEU 86 3.674 1.230 -4.740 701 2HD2 LEU 86 HD22 LEU 86 4.977 0.734 -5.819 702 3HD2 LEU 86 HD23 LEU 86 4.145 -0.465 -4.834 703 H THR 87 HN THR 87 -0.644 1.919 -7.473 704 HA THR 87 HA THR 87 -2.601 2.088 -5.431 705 HB THR 87 HB THR 87 -3.632 3.830 -6.830 706 HG1 THR 87 HG1 THR 87 -3.335 3.800 -8.893 707 1HG2 THR 87 HG21 THR 87 -0.621 3.804 -6.608 708 2HG2 THR 87 HG22 THR 87 -1.785 4.598 -5.546 709 3HG2 THR 87 HG23 THR 87 -1.509 5.221 -7.173 710 H ASP 88 HN ASP 88 -2.660 0.701 -8.682 711 HA ASP 88 HA ASP 88 -5.467 0.173 -8.671 712 1HB ASP 88 HB2 ASP 88 -3.188 -0.996 -10.280 713 2HB ASP 88 HB1 ASP 88 -4.886 -1.354 -10.568 714 H GLN 89 HN GLN 89 -2.563 -1.735 -7.974 715 HA GLN 89 HA GLN 89 -3.961 -4.137 -7.329 716 1HB GLN 89 HB2 GLN 89 -1.338 -3.475 -7.782 717 2HB GLN 89 HB1 GLN 89 -1.354 -3.712 -6.034 718 1HG GLN 89 HG2 GLN 89 -2.396 -5.920 -6.329 719 2HG GLN 89 HG1 GLN 89 -2.422 -5.684 -8.075 720 1HE2 GLN 89 HE21 GLN 89 0.248 -4.373 -8.147 721 2HE2 GLN 89 HE22 GLN 89 1.380 -5.607 -7.867 722 H LEU 90 HN LEU 90 -2.536 -1.514 -5.369 723 HA LEU 90 HA LEU 90 -3.115 -2.509 -2.831 724 1HB LEU 90 HB2 LEU 90 -1.729 -0.525 -3.185 725 2HB LEU 90 HB1 LEU 90 -3.132 0.368 -3.775 726 HG LEU 90 HG LEU 90 -4.243 -0.051 -1.555 727 1HD1 LEU 90 HD11 LEU 90 -3.147 -1.930 -0.660 728 2HD1 LEU 90 HD12 LEU 90 -2.485 -0.596 0.287 729 3HD1 LEU 90 HD13 LEU 90 -1.547 -1.290 -1.036 730 1HD2 LEU 90 HD21 LEU 90 -3.259 2.103 -1.864 731 2HD2 LEU 90 HD22 LEU 90 -1.625 1.459 -1.707 732 3HD2 LEU 90 HD23 LEU 90 -2.679 1.543 -0.294 733 H ALA 91 HN ALA 91 -5.129 -0.380 -4.875 734 HA ALA 91 HA ALA 91 -7.300 -0.162 -3.109 735 1HB ALA 91 HB1 ALA 91 -6.789 0.369 -5.951 736 2HB ALA 91 HB2 ALA 91 -7.685 1.321 -4.767 737 3HB ALA 91 HB3 ALA 91 -8.469 -0.028 -5.587 738 H ASN 92 HN ASN 92 -6.491 -2.607 -5.511 739 HA ASN 92 HA ASN 92 -8.991 -4.022 -5.230 740 1HB ASN 92 HB2 ASN 92 -6.373 -4.689 -6.583 741 2HB ASN 92 HB1 ASN 92 -7.790 -5.729 -6.620 742 1HD2 ASN 92 HD21 ASN 92 -6.698 -4.584 -9.015 743 2HD2 ASN 92 HD22 ASN 92 -7.825 -3.473 -9.630 744 H GLN 93 HN GLN 93 -5.687 -4.325 -4.078 745 HA GLN 93 HA GLN 93 -6.087 -6.853 -2.793 746 1HB GLN 93 HB2 GLN 93 -3.891 -4.790 -2.588 747 2HB GLN 93 HB1 GLN 93 -3.836 -6.389 -1.846 748 1HG GLN 93 HG2 GLN 93 -4.424 -6.088 -4.777 749 2HG GLN 93 HG1 GLN 93 -2.767 -6.088 -4.191 750 1HE2 GLN 93 HE21 GLN 93 -4.835 -8.149 -5.578 751 2HE2 GLN 93 HE22 GLN 93 -4.427 -9.591 -4.784 752 H LEU 94 HN LEU 94 -6.120 -3.475 -1.783 753 HA LEU 94 HA LEU 94 -6.016 -3.779 0.963 754 1HB LEU 94 HB2 LEU 94 -5.958 -1.581 0.170 755 2HB LEU 94 HB1 LEU 94 -7.414 -1.779 -0.792 756 HG LEU 94 HG LEU 94 -8.777 -1.945 1.233 757 1HD1 LEU 94 HD11 LEU 94 -7.265 -1.222 3.368 758 2HD1 LEU 94 HD12 LEU 94 -6.090 -2.178 2.468 759 3HD1 LEU 94 HD13 LEU 94 -7.621 -2.900 2.961 760 1HD2 LEU 94 HD21 LEU 94 -6.878 0.381 0.980 761 2HD2 LEU 94 HD22 LEU 94 -8.095 0.360 2.257 762 3HD2 LEU 94 HD23 LEU 94 -8.590 0.303 0.565 763 HA PRO 95 HA PRO 95 -10.930 -4.212 1.009 764 1HB PRO 95 HB2 PRO 95 -11.532 -5.717 -1.365 765 2HB PRO 95 HB1 PRO 95 -12.148 -4.125 -0.899 766 1HG PRO 95 HG2 PRO 95 -10.062 -4.820 -2.808 767 2HG PRO 95 HG1 PRO 95 -10.961 -3.309 -2.617 768 1HD PRO 95 HD2 PRO 95 -8.303 -3.597 -1.973 769 2HD PRO 95 HD1 PRO 95 -9.384 -2.391 -1.238 770 H GLN 96 HN GLN 96 -8.996 -6.558 -0.851 771 HA GLN 96 HA GLN 96 -10.112 -8.901 0.241 772 1HB GLN 96 HB2 GLN 96 -7.352 -8.401 -0.894 773 2HB GLN 96 HB1 GLN 96 -8.018 -9.995 -0.538 774 1HG GLN 96 HG2 GLN 96 -9.890 -9.559 -2.082 775 2HG GLN 96 HG1 GLN 96 -9.215 -7.973 -2.445 776 1HE2 GLN 96 HE21 GLN 96 -9.574 -9.969 -4.490 777 2HE2 GLN 96 HE22 GLN 96 -8.037 -10.445 -5.031 778 H TRP 97 HN TRP 97 -7.568 -6.762 1.348 779 HA TRP 97 HA TRP 97 -6.466 -8.447 3.336 780 1HB TRP 97 HB2 TRP 97 -6.655 -5.424 3.294 781 2HB TRP 97 HB1 TRP 97 -5.583 -6.374 4.321 782 HD1 TRP 97 HD1 TRP 97 -5.491 -8.333 1.389 783 HE1 TRP 97 HE1 TRP 97 -3.565 -7.687 -0.201 784 HE3 TRP 97 HE3 TRP 97 -4.311 -3.725 3.253 785 HZ2 TRP 97 HZ2 TRP 97 -1.770 -5.507 -0.627 786 HZ3 TRP 97 HZ3 TRP 97 -2.492 -2.387 2.236 787 HH2 TRP 97 HH2 TRP 97 -1.220 -3.269 0.300 788 H LEU 98 HN LEU 98 -9.117 -6.085 3.417 789 HA LEU 98 HA LEU 98 -9.678 -6.468 6.202 790 1HB LEU 98 HB2 LEU 98 -11.365 -5.306 3.971 791 2HB LEU 98 HB1 LEU 98 -11.732 -5.196 5.689 792 HG LEU 98 HG LEU 98 -9.241 -4.103 4.356 793 1HD1 LEU 98 HD11 LEU 98 -10.769 -2.095 5.656 794 2HD1 LEU 98 HD12 LEU 98 -11.898 -3.034 4.680 795 3HD1 LEU 98 HD13 LEU 98 -10.494 -2.284 3.923 796 1HD2 LEU 98 HD21 LEU 98 -8.501 -4.489 6.508 797 2HD2 LEU 98 HD22 LEU 98 -10.127 -4.439 7.188 798 3HD2 LEU 98 HD23 LEU 98 -9.299 -2.939 6.773 799 H VAL 99 HN VAL 99 -10.988 -7.679 3.159 800 HA VAL 99 HA VAL 99 -13.057 -9.246 4.386 801 HB VAL 99 HB VAL 99 -11.907 -9.329 1.590 802 1HG1 VAL 99 HG11 VAL 99 -14.535 -10.411 2.640 803 2HG1 VAL 99 HG12 VAL 99 -13.115 -11.406 2.323 804 3HG1 VAL 99 HG13 VAL 99 -13.911 -10.558 0.998 805 1HG2 VAL 99 HG21 VAL 99 -14.592 -8.247 1.979 806 2HG2 VAL 99 HG22 VAL 99 -13.220 -7.549 1.117 807 3HG2 VAL 99 HG23 VAL 99 -13.373 -7.326 2.860 808 H GLN 100 HN GLN 100 -9.845 -9.926 3.058 809 HA GLN 100 HA GLN 100 -8.451 -11.733 3.285 810 1HB GLN 100 HB2 GLN 100 -10.265 -12.276 5.643 811 2HB GLN 100 HB1 GLN 100 -8.807 -13.204 5.289 812 1HG GLN 100 HG2 GLN 100 -8.877 -10.202 5.696 813 2HG GLN 100 HG1 GLN 100 -8.394 -11.369 6.926 814 1HE2 GLN 100 HE21 GLN 100 -6.954 -9.235 4.988 815 2HE2 GLN 100 HE22 GLN 100 -5.556 -10.089 4.541 816 H GLN 101 HN GLN 101 -10.253 -11.976 1.300 817 HA GLN 101 HA GLN 101 -11.970 -14.189 1.330 818 1HB GLN 101 HB2 GLN 101 -10.378 -13.017 -0.962 819 2HB GLN 101 HB1 GLN 101 -11.714 -14.155 -1.139 820 1HG GLN 101 HG2 GLN 101 -12.061 -11.582 0.392 821 2HG GLN 101 HG1 GLN 101 -12.239 -11.623 -1.361 822 1HE2 GLN 101 HE21 GLN 101 -13.130 -14.584 0.163 823 2HE2 GLN 101 HE22 GLN 101 -14.810 -14.349 0.126 824 H GLU 102 HN GLU 102 -8.490 -13.979 0.811 825 HA GLU 102 HA GLU 102 -6.877 -15.600 0.501 826 1HB GLU 102 HB2 GLU 102 -8.832 -17.202 2.173 827 2HB GLU 102 HB1 GLU 102 -7.131 -17.592 1.921 828 1HG GLU 102 HG2 GLU 102 -6.507 -15.406 2.934 829 2HG GLU 102 HG1 GLU 102 -8.213 -15.093 3.254 830 H GLY 103 HN GLY 103 -9.386 -15.521 -1.288 831 1HA GLY 103 HA2 GLY 103 -9.765 -16.585 -3.334 832 2HA GLY 103 HA1 GLY 103 -8.688 -17.885 -2.831 833 H ILE 104 HN ILE 104 -11.233 -18.276 -4.060 834 HA ILE 104 HA ILE 104 -12.747 -19.470 -1.817 835 HB ILE 104 HB ILE 104 -14.765 -19.206 -3.095 836 1HG1 ILE 104 HG12 ILE 104 -13.019 -18.065 -5.302 837 2HG1 ILE 104 HG11 ILE 104 -13.730 -19.680 -5.323 838 1HG2 ILE 104 HG21 ILE 104 -14.188 -16.568 -3.750 839 2HG2 ILE 104 HG22 ILE 104 -12.995 -16.953 -2.509 840 3HG2 ILE 104 HG23 ILE 104 -14.715 -17.145 -2.170 841 1HD1 ILE 104 HD11 ILE 104 -15.420 -18.592 -6.427 842 2HD1 ILE 104 HD12 ILE 104 -15.034 -17.034 -5.695 843 3HD1 ILE 104 HD13 ILE 104 -15.945 -18.237 -4.781 844 H PHE 105 HN PHE 105 -13.703 -21.528 -2.159 845 HA PHE 105 HA PHE 105 -13.508 -23.110 -4.438 846 1HB PHE 105 HB2 PHE 105 -11.528 -24.569 -3.293 847 2HB PHE 105 HB1 PHE 105 -11.254 -23.379 -4.565 848 HD1 PHE 105 HD1 PHE 105 -11.835 -23.336 -0.850 849 HD2 PHE 105 HD2 PHE 105 -9.506 -21.902 -4.162 850 HE1 PHE 105 HE1 PHE 105 -10.447 -21.994 0.707 851 HE2 PHE 105 HE2 PHE 105 -8.118 -20.559 -2.604 852 HZ PHE 105 HZ PHE 105 -8.589 -20.606 -0.170 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -9.196 9.899 28.544 2 2H GLY 1 HT2 GLY 1 -9.909 11.392 28.931 3 3H GLY 1 HT3 GLY 1 -10.859 9.986 28.867 4 1HA GLY 1 HA2 GLY 1 -8.620 10.333 30.780 5 2HA GLY 1 HA1 GLY 1 -10.289 10.761 31.163 6 H SER 2 HN SER 2 -9.084 8.074 29.199 7 HA SER 2 HA SER 2 -10.841 6.179 30.347 8 1HB SER 2 HB2 SER 2 -9.786 4.601 28.952 9 2HB SER 2 HB1 SER 2 -9.628 6.120 28.074 10 HG SER 2 HG SER 2 -7.563 5.807 28.180 11 H SER 3 HN SER 3 -10.215 4.235 31.532 12 HA SER 3 HA SER 3 -7.791 4.471 33.169 13 1HB SER 3 HB2 SER 3 -10.615 4.510 34.203 14 2HB SER 3 HB1 SER 3 -9.317 3.826 35.179 15 HG SER 3 HG SER 3 -9.888 6.248 35.221 16 H LEU 4 HN LEU 4 -10.444 2.457 34.114 17 HA LEU 4 HA LEU 4 -8.863 0.080 33.635 18 1HB LEU 4 HB2 LEU 4 -10.286 0.434 35.680 19 2HB LEU 4 HB1 LEU 4 -11.707 0.277 34.648 20 HG LEU 4 HG LEU 4 -10.974 -1.973 33.967 21 1HD1 LEU 4 HD11 LEU 4 -8.663 -2.065 34.044 22 2HD1 LEU 4 HD12 LEU 4 -9.046 -2.858 35.573 23 3HD1 LEU 4 HD13 LEU 4 -8.573 -1.159 35.554 24 1HD2 LEU 4 HD21 LEU 4 -12.325 -1.515 36.099 25 2HD2 LEU 4 HD22 LEU 4 -10.820 -1.778 36.982 26 3HD2 LEU 4 HD23 LEU 4 -11.513 -3.078 36.011 27 H SER 5 HN SER 5 -9.204 1.139 31.220 28 HA SER 5 HA SER 5 -11.586 0.265 29.878 29 1HB SER 5 HB2 SER 5 -10.808 1.646 28.295 30 2HB SER 5 HB1 SER 5 -9.378 1.924 29.285 31 HG SER 5 HG SER 5 -8.374 0.933 27.731 32 HA PRO 6 HA PRO 6 -10.932 -3.912 28.792 33 1HB PRO 6 HB2 PRO 6 -10.909 -3.540 25.940 34 2HB PRO 6 HB1 PRO 6 -12.239 -4.113 26.959 35 1HG PRO 6 HG2 PRO 6 -11.805 -1.484 25.789 36 2HG PRO 6 HG1 PRO 6 -13.278 -2.187 26.468 37 1HD PRO 6 HD2 PRO 6 -11.837 -0.166 27.663 38 2HD PRO 6 HD1 PRO 6 -12.898 -1.284 28.546 39 H GLN 7 HN GLN 7 -9.545 -5.332 27.264 40 HA GLN 7 HA GLN 7 -6.808 -4.700 27.694 41 1HB GLN 7 HB2 GLN 7 -7.993 -6.796 25.858 42 2HB GLN 7 HB1 GLN 7 -6.363 -6.784 26.533 43 1HG GLN 7 HG2 GLN 7 -7.352 -6.855 28.824 44 2HG GLN 7 HG1 GLN 7 -8.951 -6.990 28.097 45 1HE2 GLN 7 HE21 GLN 7 -9.631 -9.058 27.427 46 2HE2 GLN 7 HE22 GLN 7 -8.641 -10.438 27.464 47 H ALA 8 HN ALA 8 -5.170 -4.262 26.144 48 HA ALA 8 HA ALA 8 -5.609 -2.270 24.318 49 1HB ALA 8 HB1 ALA 8 -3.531 -4.348 23.713 50 2HB ALA 8 HB2 ALA 8 -3.387 -3.358 25.166 51 3HB ALA 8 HB3 ALA 8 -3.425 -2.594 23.576 52 H LEU 9 HN LEU 9 -6.101 -2.101 22.161 53 HA LEU 9 HA LEU 9 -7.563 -4.327 21.009 54 1HB LEU 9 HB2 LEU 9 -7.892 -2.584 19.126 55 2HB LEU 9 HB1 LEU 9 -8.648 -2.271 20.686 56 HG LEU 9 HG LEU 9 -5.863 -1.270 20.258 57 1HD1 LEU 9 HD11 LEU 9 -8.333 0.117 19.171 58 2HD1 LEU 9 HD12 LEU 9 -7.082 -0.640 18.186 59 3HD1 LEU 9 HD13 LEU 9 -6.692 0.766 19.176 60 1HD2 LEU 9 HD21 LEU 9 -6.361 -0.020 22.080 61 2HD2 LEU 9 HD22 LEU 9 -7.774 -1.055 22.260 62 3HD2 LEU 9 HD23 LEU 9 -7.912 0.483 21.410 63 H ALA 10 HN ALA 10 -7.235 -4.113 18.357 64 HA ALA 10 HA ALA 10 -4.851 -5.571 17.857 65 1HB ALA 10 HB1 ALA 10 -6.192 -6.167 16.154 66 2HB ALA 10 HB2 ALA 10 -5.747 -4.641 15.388 67 3HB ALA 10 HB3 ALA 10 -7.210 -4.742 16.369 68 H GLN 11 HN GLN 11 -3.136 -4.997 16.384 69 HA GLN 11 HA GLN 11 -2.177 -2.292 16.862 70 1HB GLN 11 HB2 GLN 11 -0.844 -4.504 15.288 71 2HB GLN 11 HB1 GLN 11 -0.080 -3.071 15.973 72 1HG GLN 11 HG2 GLN 11 -1.310 -5.388 17.481 73 2HG GLN 11 HG1 GLN 11 0.390 -4.914 17.449 74 1HE2 GLN 11 HE21 GLN 11 0.580 -2.358 18.080 75 2HE2 GLN 11 HE22 GLN 11 -0.265 -1.946 19.493 76 HA PRO 12 HA PRO 12 -3.396 -0.439 13.062 77 1HB PRO 12 HB2 PRO 12 -0.805 0.679 12.511 78 2HB PRO 12 HB1 PRO 12 -2.229 1.497 13.167 79 1HG PRO 12 HG2 PRO 12 0.159 0.597 14.530 80 2HG PRO 12 HG1 PRO 12 -1.132 1.655 15.110 81 1HD PRO 12 HD2 PRO 12 -0.674 -0.948 15.990 82 2HD PRO 12 HD1 PRO 12 -2.192 -0.050 16.195 83 H LEU 13 HN LEU 13 -3.036 -0.614 10.747 84 HA LEU 13 HA LEU 13 -1.902 -3.123 9.956 85 1HB LEU 13 HB2 LEU 13 -3.887 -1.901 8.881 86 2HB LEU 13 HB1 LEU 13 -2.687 -0.870 8.108 87 HG LEU 13 HG LEU 13 -2.642 -3.886 7.912 88 1HD1 LEU 13 HD11 LEU 13 -3.378 -3.145 5.466 89 2HD1 LEU 13 HD12 LEU 13 -4.076 -1.784 6.346 90 3HD1 LEU 13 HD13 LEU 13 -4.577 -3.431 6.728 91 1HD2 LEU 13 HD21 LEU 13 -0.994 -1.631 6.928 92 2HD2 LEU 13 HD22 LEU 13 -1.385 -2.853 5.716 93 3HD2 LEU 13 HD23 LEU 13 -0.547 -3.316 7.196 94 H LEU 14 HN LEU 14 0.137 -3.533 9.205 95 HA LEU 14 HA LEU 14 1.968 -1.258 9.117 96 1HB LEU 14 HB2 LEU 14 2.369 -4.254 9.168 97 2HB LEU 14 HB1 LEU 14 3.689 -3.115 8.932 98 HG LEU 14 HG LEU 14 3.142 -3.941 11.358 99 1HD1 LEU 14 HD11 LEU 14 3.550 -1.463 12.145 100 2HD1 LEU 14 HD12 LEU 14 3.730 -1.153 10.419 101 3HD1 LEU 14 HD13 LEU 14 4.792 -2.308 11.222 102 1HD2 LEU 14 HD21 LEU 14 1.475 -2.613 12.523 103 2HD2 LEU 14 HD22 LEU 14 0.695 -3.383 11.146 104 3HD2 LEU 14 HD23 LEU 14 1.138 -1.675 11.070 105 H LEU 15 HN LEU 15 2.043 -0.249 7.270 106 HA LEU 15 HA LEU 15 2.102 -1.812 4.765 107 1HB LEU 15 HB2 LEU 15 0.102 -0.254 5.294 108 2HB LEU 15 HB1 LEU 15 1.233 1.066 5.016 109 HG LEU 15 HG LEU 15 -0.066 0.485 2.983 110 1HD1 LEU 15 HD11 LEU 15 2.693 -0.404 2.331 111 2HD1 LEU 15 HD12 LEU 15 2.529 1.147 3.157 112 3HD1 LEU 15 HD13 LEU 15 1.720 0.879 1.614 113 1HD2 LEU 15 HD21 LEU 15 1.485 -2.034 2.651 114 2HD2 LEU 15 HD22 LEU 15 -0.147 -1.637 2.109 115 3HD2 LEU 15 HD23 LEU 15 0.141 -2.078 3.791 116 H GLN 16 HN GLN 16 3.880 -1.509 3.459 117 HA GLN 16 HA GLN 16 5.595 0.808 4.085 118 1HB GLN 16 HB2 GLN 16 6.400 -2.076 3.879 119 2HB GLN 16 HB1 GLN 16 7.557 -0.782 3.560 120 1HG GLN 16 HG2 GLN 16 7.038 0.199 5.776 121 2HG GLN 16 HG1 GLN 16 5.948 -1.150 6.102 122 1HE2 GLN 16 HE21 GLN 16 8.375 -2.494 4.289 123 2HE2 GLN 16 HE22 GLN 16 9.417 -2.990 5.534 124 H LEU 17 HN LEU 17 6.994 1.497 2.404 125 HA LEU 17 HA LEU 17 6.364 0.496 -0.281 126 1HB LEU 17 HB2 LEU 17 4.872 2.421 0.196 127 2HB LEU 17 HB1 LEU 17 6.296 3.416 0.499 128 HG LEU 17 HG LEU 17 7.062 2.689 -1.862 129 1HD1 LEU 17 HD11 LEU 17 5.004 2.273 -3.341 130 2HD1 LEU 17 HD12 LEU 17 4.153 1.867 -1.851 131 3HD1 LEU 17 HD13 LEU 17 5.550 0.921 -2.355 132 1HD2 LEU 17 HD21 LEU 17 6.490 4.942 -1.690 133 2HD2 LEU 17 HD22 LEU 17 4.846 4.589 -1.157 134 3HD2 LEU 17 HD23 LEU 17 5.289 4.380 -2.853 135 H PHE 18 HN PHE 18 8.170 0.158 -1.415 136 HA PHE 18 HA PHE 18 10.659 1.384 -0.449 137 1HB PHE 18 HB2 PHE 18 10.059 -0.972 -2.229 138 2HB PHE 18 HB1 PHE 18 11.667 -0.248 -2.172 139 HD1 PHE 18 HD1 PHE 18 8.985 -1.172 0.286 140 HD2 PHE 18 HD2 PHE 18 13.158 -1.265 -0.720 141 HE1 PHE 18 HE1 PHE 18 9.462 -2.384 2.393 142 HE2 PHE 18 HE2 PHE 18 13.644 -2.481 1.386 143 HZ PHE 18 HZ PHE 18 11.783 -3.029 2.946 144 H VAL 19 HN VAL 19 11.465 3.095 -1.435 145 HA VAL 19 HA VAL 19 10.774 3.518 -4.282 146 HB VAL 19 HB VAL 19 10.356 5.830 -3.880 147 1HG1 VAL 19 HG11 VAL 19 8.541 5.691 -2.126 148 2HG1 VAL 19 HG12 VAL 19 9.109 4.062 -1.757 149 3HG1 VAL 19 HG13 VAL 19 8.456 4.427 -3.353 150 1HG2 VAL 19 HG21 VAL 19 10.547 6.714 -1.504 151 2HG2 VAL 19 HG22 VAL 19 12.086 6.350 -2.286 152 3HG2 VAL 19 HG23 VAL 19 11.412 5.230 -1.103 153 H ASP 20 HN ASP 20 12.249 4.754 -5.502 154 HA ASP 20 HA ASP 20 15.001 4.659 -4.461 155 1HB ASP 20 HB2 ASP 20 15.721 4.732 -6.776 156 2HB ASP 20 HB1 ASP 20 14.514 3.460 -6.594 157 H THR 21 HN THR 21 12.707 6.711 -4.169 158 HA THR 21 HA THR 21 12.719 8.954 -3.652 159 HB THR 21 HB THR 21 14.694 10.206 -3.644 160 HG1 THR 21 HG1 THR 21 15.878 8.405 -5.463 161 1HG2 THR 21 HG21 THR 21 15.811 8.857 -2.228 162 2HG2 THR 21 HG22 THR 21 16.256 7.758 -3.532 163 3HG2 THR 21 HG23 THR 21 14.707 7.569 -2.714 164 H ARG 22 HN ARG 22 12.372 7.615 -6.537 165 HA ARG 22 HA ARG 22 12.638 9.885 -8.282 166 1HB ARG 22 HB2 ARG 22 11.386 8.502 -9.905 167 2HB ARG 22 HB1 ARG 22 12.731 7.614 -9.190 168 1HG ARG 22 HG2 ARG 22 11.078 6.672 -7.509 169 2HG ARG 22 HG1 ARG 22 9.797 7.385 -8.489 170 1HD ARG 22 HD2 ARG 22 11.873 5.460 -9.559 171 2HD ARG 22 HD1 ARG 22 10.256 4.983 -9.049 172 HE ARG 22 HE ARG 22 9.782 6.976 -10.847 173 1HH1 ARG 22 HH11 ARG 22 9.658 3.806 -11.169 174 2HH1 ARG 22 HH12 ARG 22 10.369 3.664 -12.743 175 1HH2 ARG 22 HH21 ARG 22 11.564 6.920 -12.782 176 2HH2 ARG 22 HH22 ARG 22 11.447 5.430 -13.658 177 HA PRO 23 HA PRO 23 9.077 12.224 -7.154 178 1HB PRO 23 HB2 PRO 23 8.263 12.728 -9.861 179 2HB PRO 23 HB1 PRO 23 9.120 13.817 -8.760 180 1HG PRO 23 HG2 PRO 23 10.135 12.261 -10.979 181 2HG PRO 23 HG1 PRO 23 10.902 13.587 -10.094 182 1HD PRO 23 HD2 PRO 23 11.686 10.927 -9.939 183 2HD PRO 23 HD1 PRO 23 12.044 12.155 -8.708 184 H LEU 24 HN LEU 24 8.788 9.850 -9.751 185 HA LEU 24 HA LEU 24 6.013 9.584 -9.884 186 1HB LEU 24 HB2 LEU 24 7.668 8.529 -11.430 187 2HB LEU 24 HB1 LEU 24 8.067 7.375 -10.157 188 HG LEU 24 HG LEU 24 5.431 7.044 -10.119 189 1HD1 LEU 24 HD11 LEU 24 4.335 7.472 -12.144 190 2HD1 LEU 24 HD12 LEU 24 5.845 7.582 -13.050 191 3HD1 LEU 24 HD13 LEU 24 5.366 8.894 -11.973 192 1HD2 LEU 24 HD21 LEU 24 7.363 5.884 -12.148 193 2HD2 LEU 24 HD22 LEU 24 5.768 5.207 -11.818 194 3HD2 LEU 24 HD23 LEU 24 6.990 5.242 -10.548 195 H SER 25 HN SER 25 8.374 8.079 -7.711 196 HA SER 25 HA SER 25 6.572 6.342 -6.379 197 1HB SER 25 HB2 SER 25 9.115 7.597 -5.314 198 2HB SER 25 HB1 SER 25 8.313 6.164 -4.680 199 HG SER 25 HG SER 25 9.922 5.481 -6.046 200 H GLN 26 HN GLN 26 7.762 9.608 -5.696 201 HA GLN 26 HA GLN 26 6.296 9.997 -3.296 202 1HB GLN 26 HB2 GLN 26 7.368 11.958 -5.352 203 2HB GLN 26 HB1 GLN 26 6.667 12.436 -3.805 204 1HG GLN 26 HG2 GLN 26 9.010 10.536 -4.086 205 2HG GLN 26 HG1 GLN 26 9.174 12.262 -3.763 206 1HE2 GLN 26 HE21 GLN 26 9.109 9.326 -2.189 207 2HE2 GLN 26 HE22 GLN 26 8.545 9.842 -0.673 208 H HIS 27 HN HIS 27 5.656 10.315 -6.687 209 HA HIS 27 HA HIS 27 3.180 11.702 -6.615 210 1HB HIS 27 HB2 HIS 27 4.891 10.923 -8.549 211 2HB HIS 27 HB1 HIS 27 3.715 9.624 -8.681 212 HD1 HIS 27 HD1 HIS 27 1.240 11.571 -7.893 213 HD2 HIS 27 HD2 HIS 27 4.061 12.155 -10.910 214 HE1 HIS 27 HE1 HIS 27 0.173 13.145 -9.572 215 H ILE 28 HN ILE 28 3.984 8.267 -7.022 216 HA ILE 28 HA ILE 28 1.348 7.279 -6.784 217 HB ILE 28 HB ILE 28 4.015 5.924 -6.328 218 1HG1 ILE 28 HG12 ILE 28 2.111 5.861 -8.690 219 2HG1 ILE 28 HG11 ILE 28 3.563 6.859 -8.614 220 1HG2 ILE 28 HG21 ILE 28 1.223 5.017 -6.030 221 2HG2 ILE 28 HG22 ILE 28 2.708 4.311 -5.398 222 3HG2 ILE 28 HG23 ILE 28 2.214 3.981 -7.057 223 1HD1 ILE 28 HD11 ILE 28 4.017 4.026 -7.938 224 2HD1 ILE 28 HD12 ILE 28 4.940 5.090 -9.001 225 3HD1 ILE 28 HD13 ILE 28 3.485 4.294 -9.598 226 H VAL 29 HN VAL 29 3.858 8.023 -4.426 227 HA VAL 29 HA VAL 29 2.837 6.647 -2.215 228 HB VAL 29 HB VAL 29 4.328 9.272 -2.396 229 1HG1 VAL 29 HG11 VAL 29 4.730 8.866 0.081 230 2HG1 VAL 29 HG12 VAL 29 3.443 7.662 0.017 231 3HG1 VAL 29 HG13 VAL 29 3.087 9.355 -0.329 232 1HG2 VAL 29 HG21 VAL 29 5.543 6.953 -1.075 233 2HG2 VAL 29 HG22 VAL 29 6.192 7.980 -2.354 234 3HG2 VAL 29 HG23 VAL 29 5.126 6.633 -2.759 235 H GLN 30 HN GLN 30 2.058 9.863 -3.492 236 HA GLN 30 HA GLN 30 0.199 10.598 -1.502 237 1HB GLN 30 HB2 GLN 30 0.298 11.335 -4.437 238 2HB GLN 30 HB1 GLN 30 -0.739 12.113 -3.243 239 1HG GLN 30 HG2 GLN 30 2.287 12.002 -3.134 240 2HG GLN 30 HG1 GLN 30 1.325 13.405 -3.597 241 1HE2 GLN 30 HE21 GLN 30 0.393 14.671 -1.925 242 2HE2 GLN 30 HE22 GLN 30 0.595 14.328 -0.275 243 H ARG 31 HN ARG 31 -0.145 8.856 -4.579 244 HA ARG 31 HA ARG 31 -2.955 8.542 -4.468 245 1HB ARG 31 HB2 ARG 31 -0.837 6.813 -5.762 246 2HB ARG 31 HB1 ARG 31 -2.574 6.608 -6.004 247 1HG ARG 31 HG2 ARG 31 -2.673 9.008 -6.765 248 2HG ARG 31 HG1 ARG 31 -0.910 9.039 -6.708 249 1HD ARG 31 HD2 ARG 31 -0.917 7.044 -8.253 250 2HD ARG 31 HD1 ARG 31 -2.654 7.263 -8.427 251 HE ARG 31 HE ARG 31 -0.795 9.458 -9.109 252 1HH1 ARG 31 HH11 ARG 31 -1.348 7.157 -11.136 253 2HH1 ARG 31 HH12 ARG 31 -2.557 7.902 -12.126 254 1HH2 ARG 31 HH21 ARG 31 -3.206 10.459 -9.878 255 2HH2 ARG 31 HH22 ARG 31 -3.612 9.768 -11.413 256 H VAL 32 HN VAL 32 -0.270 6.641 -3.173 257 HA VAL 32 HA VAL 32 -1.820 4.468 -2.217 258 HB VAL 32 HB VAL 32 0.873 5.597 -1.447 259 1HG1 VAL 32 HG11 VAL 32 1.115 3.540 -0.028 260 2HG1 VAL 32 HG12 VAL 32 -0.609 3.237 -0.246 261 3HG1 VAL 32 HG13 VAL 32 -0.068 4.685 0.603 262 1HG2 VAL 32 HG21 VAL 32 1.726 3.857 -2.717 263 2HG2 VAL 32 HG22 VAL 32 0.214 4.133 -3.580 264 3HG2 VAL 32 HG23 VAL 32 0.335 2.814 -2.415 265 H LYS 33 HN LYS 33 -0.540 7.355 -0.555 266 HA LYS 33 HA LYS 33 -1.829 6.913 1.910 267 1HB LYS 33 HB2 LYS 33 -0.879 9.449 0.579 268 2HB LYS 33 HB1 LYS 33 -1.460 9.366 2.239 269 1HG LYS 33 HG2 LYS 33 0.280 7.606 2.690 270 2HG LYS 33 HG1 LYS 33 0.922 7.906 1.074 271 1HD LYS 33 HD2 LYS 33 1.200 10.317 1.689 272 2HD LYS 33 HD1 LYS 33 0.704 9.911 3.331 273 1HE LYS 33 HE2 LYS 33 2.856 8.217 2.211 274 2HE LYS 33 HE1 LYS 33 3.295 9.900 2.501 275 1HZ LYS 33 HZ1 LYS 33 2.088 9.471 4.749 276 2HZ LYS 33 HZ2 LYS 33 3.701 8.981 4.535 277 3HZ LYS 33 HZ3 LYS 33 2.442 7.847 4.414 278 H ASN 34 HN ASN 34 -2.804 8.698 -0.982 279 HA ASN 34 HA ASN 34 -5.140 9.870 0.037 280 1HB ASN 34 HB2 ASN 34 -4.419 9.044 -2.780 281 2HB ASN 34 HB1 ASN 34 -5.787 10.067 -2.358 282 1HD2 ASN 34 HD21 ASN 34 -3.030 10.577 -3.789 283 2HD2 ASN 34 HD22 ASN 34 -2.456 11.974 -3.011 284 H ILE 35 HN ILE 35 -4.692 6.786 -1.711 285 HA ILE 35 HA ILE 35 -7.456 6.080 -1.669 286 HB ILE 35 HB ILE 35 -4.985 4.369 -1.936 287 1HG1 ILE 35 HG12 ILE 35 -6.935 5.303 -4.056 288 2HG1 ILE 35 HG11 ILE 35 -5.442 6.164 -3.687 289 1HG2 ILE 35 HG21 ILE 35 -7.928 3.769 -2.253 290 2HG2 ILE 35 HG22 ILE 35 -6.743 2.913 -1.267 291 3HG2 ILE 35 HG23 ILE 35 -6.684 2.787 -3.026 292 1HD1 ILE 35 HD11 ILE 35 -4.302 3.843 -4.020 293 2HD1 ILE 35 HD12 ILE 35 -4.802 4.748 -5.449 294 3HD1 ILE 35 HD13 ILE 35 -5.793 3.414 -4.858 295 H LEU 36 HN LEU 36 -4.674 5.016 0.284 296 HA LEU 36 HA LEU 36 -6.108 3.369 2.059 297 1HB LEU 36 HB2 LEU 36 -3.575 4.970 2.517 298 2HB LEU 36 HB1 LEU 36 -4.166 3.689 3.573 299 HG LEU 36 HG LEU 36 -3.468 3.341 0.642 300 1HD1 LEU 36 HD11 LEU 36 -2.022 2.357 3.119 301 2HD1 LEU 36 HD12 LEU 36 -1.512 3.744 2.157 302 3HD1 LEU 36 HD13 LEU 36 -1.515 2.131 1.444 303 1HD2 LEU 36 HD21 LEU 36 -4.905 1.591 0.935 304 2HD2 LEU 36 HD22 LEU 36 -4.790 1.664 2.693 305 3HD2 LEU 36 HD23 LEU 36 -3.527 0.860 1.759 306 H ALA 37 HN ALA 37 -5.475 6.810 1.983 307 HA ALA 37 HA ALA 37 -6.468 7.416 4.580 308 1HB ALA 37 HB1 ALA 37 -6.132 9.109 2.092 309 2HB ALA 37 HB2 ALA 37 -5.029 9.004 3.465 310 3HB ALA 37 HB3 ALA 37 -6.614 9.752 3.663 311 H ALA 38 HN ALA 38 -7.921 6.751 1.504 312 HA ALA 38 HA ALA 38 -10.449 7.983 2.209 313 1HB ALA 38 HB1 ALA 38 -9.220 6.982 -0.188 314 2HB ALA 38 HB2 ALA 38 -10.630 8.024 -0.017 315 3HB ALA 38 HB3 ALA 38 -10.822 6.272 0.005 316 H VAL 39 HN VAL 39 -8.933 5.017 2.838 317 HA VAL 39 HA VAL 39 -11.384 3.460 2.942 318 HB VAL 39 HB VAL 39 -9.047 2.582 2.320 319 1HG1 VAL 39 HG11 VAL 39 -7.435 2.462 3.891 320 2HG1 VAL 39 HG12 VAL 39 -8.554 1.840 5.103 321 3HG1 VAL 39 HG13 VAL 39 -8.417 3.576 4.838 322 1HG2 VAL 39 HG21 VAL 39 -11.132 1.365 4.060 323 2HG2 VAL 39 HG22 VAL 39 -9.616 0.478 3.910 324 3HG2 VAL 39 HG23 VAL 39 -10.558 0.863 2.470 325 H GLU 40 HN GLU 40 -9.647 5.529 5.033 326 HA GLU 40 HA GLU 40 -9.698 5.851 7.335 327 1HB GLU 40 HB2 GLU 40 -12.626 5.328 6.760 328 2HB GLU 40 HB1 GLU 40 -11.979 6.218 8.139 329 1HG GLU 40 HG2 GLU 40 -11.579 6.995 5.235 330 2HG GLU 40 HG1 GLU 40 -12.752 7.735 6.322 331 H ALA 41 HN ALA 41 -12.462 4.245 8.208 332 HA ALA 41 HA ALA 41 -12.931 2.178 9.153 333 1HB ALA 41 HB1 ALA 41 -11.736 0.379 8.508 334 2HB ALA 41 HB2 ALA 41 -10.216 1.073 9.072 335 3HB ALA 41 HB3 ALA 41 -10.851 1.508 7.485 336 H THR 42 HN THR 42 -12.477 1.093 11.209 337 HA THR 42 HA THR 42 -11.564 2.952 13.184 338 HB THR 42 HB THR 42 -12.087 1.157 14.788 339 HG1 THR 42 HG1 THR 42 -13.174 -0.633 13.223 340 1HG2 THR 42 HG21 THR 42 -13.975 2.439 14.176 341 2HG2 THR 42 HG22 THR 42 -14.499 0.767 13.973 342 3HG2 THR 42 HG23 THR 42 -14.041 1.724 12.564 343 H VAL 43 HN VAL 43 -9.882 0.949 11.145 344 HA VAL 43 HA VAL 43 -7.637 0.716 13.044 345 HB VAL 43 HB VAL 43 -6.959 -1.183 11.409 346 1HG1 VAL 43 HG11 VAL 43 -9.107 -1.263 13.516 347 2HG1 VAL 43 HG12 VAL 43 -7.436 -1.823 13.619 348 3HG1 VAL 43 HG13 VAL 43 -8.619 -2.741 12.686 349 1HG2 VAL 43 HG21 VAL 43 -8.861 -0.522 9.833 350 2HG2 VAL 43 HG22 VAL 43 -9.952 -1.247 11.015 351 3HG2 VAL 43 HG23 VAL 43 -8.733 -2.238 10.216 352 HA PRO 44 HA PRO 44 -6.319 3.577 9.681 353 1HB PRO 44 HB2 PRO 44 -4.276 4.508 11.484 354 2HB PRO 44 HB1 PRO 44 -5.688 5.384 10.881 355 1HG PRO 44 HG2 PRO 44 -5.248 4.371 13.486 356 2HG PRO 44 HG1 PRO 44 -6.687 5.180 12.860 357 1HD PRO 44 HD2 PRO 44 -6.357 2.396 13.526 358 2HD PRO 44 HD1 PRO 44 -7.822 3.225 12.966 359 H ILE 45 HN ILE 45 -4.436 3.498 8.365 360 HA ILE 45 HA ILE 45 -2.744 1.142 8.872 361 HB ILE 45 HB ILE 45 -2.965 2.745 6.321 362 1HG1 ILE 45 HG12 ILE 45 -4.275 0.351 5.914 363 2HG1 ILE 45 HG11 ILE 45 -4.785 0.789 7.545 364 1HG2 ILE 45 HG21 ILE 45 -2.344 -0.061 6.056 365 2HG2 ILE 45 HG22 ILE 45 -1.224 0.681 7.198 366 3HG2 ILE 45 HG23 ILE 45 -1.380 1.332 5.562 367 1HD1 ILE 45 HD11 ILE 45 -5.170 3.160 6.505 368 2HD1 ILE 45 HD12 ILE 45 -6.367 1.895 6.214 369 3HD1 ILE 45 HD13 ILE 45 -5.181 2.293 4.971 370 H SER 46 HN SER 46 -0.526 1.240 8.935 371 HA SER 46 HA SER 46 0.613 3.940 9.244 372 1HB SER 46 HB2 SER 46 0.868 2.239 11.095 373 2HB SER 46 HB1 SER 46 1.857 1.286 9.993 374 HG SER 46 HG SER 46 3.431 2.539 10.571 375 H LEU 47 HN LEU 47 1.699 4.735 7.547 376 HA LEU 47 HA LEU 47 2.753 2.830 5.563 377 1HB LEU 47 HB2 LEU 47 1.173 4.994 5.162 378 2HB LEU 47 HB1 LEU 47 2.767 5.723 4.959 379 HG LEU 47 HG LEU 47 1.712 3.290 3.490 380 1HD1 LEU 47 HD11 LEU 47 2.028 4.824 1.508 381 2HD1 LEU 47 HD12 LEU 47 2.310 6.136 2.652 382 3HD1 LEU 47 HD13 LEU 47 0.749 5.319 2.615 383 1HD2 LEU 47 HD21 LEU 47 3.954 2.793 3.481 384 2HD2 LEU 47 HD22 LEU 47 4.429 4.461 3.813 385 3HD2 LEU 47 HD23 LEU 47 3.970 3.982 2.178 386 H GLN 48 HN GLN 48 4.844 2.385 5.670 387 HA GLN 48 HA GLN 48 6.709 4.519 6.484 388 1HB GLN 48 HB2 GLN 48 6.535 1.652 7.312 389 2HB GLN 48 HB1 GLN 48 8.124 2.398 7.174 390 1HG GLN 48 HG2 GLN 48 7.299 4.261 8.647 391 2HG GLN 48 HG1 GLN 48 5.808 3.348 8.878 392 1HE2 GLN 48 HE21 GLN 48 8.984 3.782 10.080 393 2HE2 GLN 48 HE22 GLN 48 9.044 2.402 11.066 394 H VAL 49 HN VAL 49 7.931 5.099 4.810 395 HA VAL 49 HA VAL 49 8.251 3.276 2.550 396 HB VAL 49 HB VAL 49 9.218 6.127 2.812 397 1HG1 VAL 49 HG11 VAL 49 8.544 4.685 0.265 398 2HG1 VAL 49 HG12 VAL 49 10.117 4.434 1.026 399 3HG1 VAL 49 HG13 VAL 49 9.629 6.051 0.519 400 1HG2 VAL 49 HG21 VAL 49 7.111 6.405 1.234 401 2HG2 VAL 49 HG22 VAL 49 6.909 6.402 2.986 402 3HG2 VAL 49 HG23 VAL 49 6.562 4.943 2.057 403 H ILE 50 HN ILE 50 10.155 2.419 1.883 404 HA ILE 50 HA ILE 50 12.487 2.937 3.617 405 HB ILE 50 HB ILE 50 11.883 0.381 2.117 406 1HG1 ILE 50 HG12 ILE 50 11.370 1.180 4.999 407 2HG1 ILE 50 HG11 ILE 50 10.157 0.739 3.805 408 1HG2 ILE 50 HG21 ILE 50 14.254 1.305 3.066 409 2HG2 ILE 50 HG22 ILE 50 13.835 -0.407 3.016 410 3HG2 ILE 50 HG23 ILE 50 13.631 0.509 4.510 411 1HD1 ILE 50 HD11 ILE 50 11.275 -1.005 5.614 412 2HD1 ILE 50 HD12 ILE 50 12.247 -1.304 4.176 413 3HD1 ILE 50 HD13 ILE 50 10.495 -1.484 4.107 414 H ASN 51 HN ASN 51 14.234 3.711 2.633 415 HA ASN 51 HA ASN 51 14.120 4.173 -0.216 416 1HB ASN 51 HB2 ASN 51 15.016 5.755 1.643 417 2HB ASN 51 HB1 ASN 51 16.487 4.790 1.528 418 1HD2 ASN 51 HD21 ASN 51 17.848 5.123 -0.296 419 2HD2 ASN 51 HD22 ASN 51 17.489 6.228 -1.533 420 H VAL 52 HN VAL 52 14.636 2.510 -1.515 421 HA VAL 52 HA VAL 52 16.158 0.264 -0.834 422 HB VAL 52 HB VAL 52 16.241 -0.194 -3.239 423 1HG1 VAL 52 HG11 VAL 52 14.139 -0.862 -2.705 424 2HG1 VAL 52 HG12 VAL 52 13.614 0.616 -3.513 425 3HG1 VAL 52 HG13 VAL 52 13.827 0.595 -1.762 426 1HG2 VAL 52 HG21 VAL 52 14.810 1.875 -4.413 427 2HG2 VAL 52 HG22 VAL 52 16.549 1.625 -4.566 428 3HG2 VAL 52 HG23 VAL 52 15.921 2.725 -3.338 429 H ALA 53 HN ALA 53 17.166 3.428 -1.857 430 HA ALA 53 HA ALA 53 19.782 2.691 -2.737 431 1HB ALA 53 HB1 ALA 53 18.315 4.969 -2.936 432 2HB ALA 53 HB2 ALA 53 20.064 4.913 -3.157 433 3HB ALA 53 HB3 ALA 53 19.387 5.395 -1.602 434 H ASP 54 HN ASP 54 18.280 2.821 0.284 435 HA ASP 54 HA ASP 54 20.808 3.270 1.693 436 1HB ASP 54 HB2 ASP 54 17.953 3.166 2.676 437 2HB ASP 54 HB1 ASP 54 19.356 3.375 3.721 438 H GLN 55 HN GLN 55 18.231 0.877 1.255 439 HA GLN 55 HA GLN 55 20.049 -1.139 2.387 440 1HB GLN 55 HB2 GLN 55 18.174 -2.148 3.616 441 2HB GLN 55 HB1 GLN 55 18.493 -0.495 4.150 442 1HG GLN 55 HG2 GLN 55 16.715 -0.056 2.124 443 2HG GLN 55 HG1 GLN 55 16.130 -1.590 2.769 444 1HE2 GLN 55 HE21 GLN 55 15.423 -1.628 5.030 445 2HE2 GLN 55 HE22 GLN 55 15.074 -0.189 5.858 446 HA PRO 56 HA PRO 56 18.084 -2.515 -1.582 447 1HB PRO 56 HB2 PRO 56 20.719 -3.153 -2.556 448 2HB PRO 56 HB1 PRO 56 19.598 -1.921 -3.157 449 1HG PRO 56 HG2 PRO 56 21.999 -1.438 -1.866 450 2HG PRO 56 HG1 PRO 56 20.688 -0.272 -2.091 451 1HD PRO 56 HD2 PRO 56 21.456 -1.788 0.349 452 2HD PRO 56 HD1 PRO 56 20.635 -0.216 0.204 453 H GLN 57 HN GLN 57 20.059 -3.781 0.850 454 HA GLN 57 HA GLN 57 20.474 -6.429 -0.104 455 1HB GLN 57 HB2 GLN 57 21.881 -5.653 1.645 456 2HB GLN 57 HB1 GLN 57 20.506 -5.186 2.645 457 1HG GLN 57 HG2 GLN 57 19.840 -7.577 2.818 458 2HG GLN 57 HG1 GLN 57 21.260 -8.020 1.864 459 1HE2 GLN 57 HE21 GLN 57 22.371 -5.449 3.561 460 2HE2 GLN 57 HE22 GLN 57 22.945 -6.231 4.956 461 H LEU 58 HN LEU 58 18.013 -5.027 2.088 462 HA LEU 58 HA LEU 58 16.710 -7.538 2.450 463 1HB LEU 58 HB2 LEU 58 15.288 -6.422 3.868 464 2HB LEU 58 HB1 LEU 58 16.648 -5.306 3.882 465 HG LEU 58 HG LEU 58 15.497 -4.096 1.952 466 1HD1 LEU 58 HD11 LEU 58 13.671 -5.082 1.086 467 2HD1 LEU 58 HD12 LEU 58 12.843 -4.818 2.616 468 3HD1 LEU 58 HD13 LEU 58 13.705 -6.323 2.336 469 1HD2 LEU 58 HD21 LEU 58 14.092 -4.245 4.641 470 2HD2 LEU 58 HD22 LEU 58 13.959 -2.912 3.495 471 3HD2 LEU 58 HD23 LEU 58 15.502 -3.251 4.275 472 H VAL 59 HN VAL 59 16.558 -5.004 0.082 473 HA VAL 59 HA VAL 59 14.005 -5.547 -1.035 474 HB VAL 59 HB VAL 59 16.475 -4.642 -2.536 475 1HG1 VAL 59 HG11 VAL 59 14.525 -5.211 -3.912 476 2HG1 VAL 59 HG12 VAL 59 14.793 -3.472 -3.923 477 3HG1 VAL 59 HG13 VAL 59 13.510 -4.160 -2.928 478 1HG2 VAL 59 HG21 VAL 59 16.250 -3.228 -0.569 479 2HG2 VAL 59 HG22 VAL 59 14.518 -3.054 -0.846 480 3HG2 VAL 59 HG23 VAL 59 15.668 -2.330 -1.970 481 H GLU 60 HN GLU 60 17.245 -6.871 -1.589 482 HA GLU 60 HA GLU 60 16.500 -8.648 -3.702 483 1HB GLU 60 HB2 GLU 60 18.830 -8.700 -1.765 484 2HB GLU 60 HB1 GLU 60 18.670 -9.764 -3.163 485 1HG GLU 60 HG2 GLU 60 18.556 -7.778 -4.642 486 2HG GLU 60 HG1 GLU 60 18.776 -6.736 -3.238 487 H TYR 61 HN TYR 61 16.576 -8.899 -0.182 488 HA TYR 61 HA TYR 61 16.324 -11.658 0.121 489 1HB TYR 61 HB2 TYR 61 16.636 -10.156 2.025 490 2HB TYR 61 HB1 TYR 61 15.035 -9.466 1.762 491 HD1 TYR 61 HD1 TYR 61 16.854 -12.582 2.659 492 HD2 TYR 61 HD2 TYR 61 13.059 -10.578 2.505 493 HE1 TYR 61 HE1 TYR 61 15.840 -14.395 4.014 494 HE2 TYR 61 HE2 TYR 61 12.046 -12.391 3.859 495 HH TYR 61 HH TYR 61 12.397 -14.283 4.951 496 H TYR 62 HN TYR 62 13.867 -9.205 -0.503 497 HA TYR 62 HA TYR 62 11.723 -11.160 -0.584 498 1HB TYR 62 HB2 TYR 62 11.872 -8.194 -1.121 499 2HB TYR 62 HB1 TYR 62 10.399 -9.133 -1.333 500 HD1 TYR 62 HD1 TYR 62 12.111 -7.099 0.901 501 HD2 TYR 62 HD2 TYR 62 9.933 -10.794 0.762 502 HE1 TYR 62 HE1 TYR 62 11.643 -6.910 3.327 503 HE2 TYR 62 HE2 TYR 62 9.464 -10.607 3.188 504 HH TYR 62 HH TYR 62 10.979 -9.068 5.241 505 H ARG 63 HN ARG 63 14.176 -10.845 -2.536 506 HA ARG 63 HA ARG 63 14.559 -11.193 -4.780 507 1HB ARG 63 HB2 ARG 63 11.707 -12.184 -4.578 508 2HB ARG 63 HB1 ARG 63 12.694 -12.335 -6.033 509 1HG ARG 63 HG2 ARG 63 14.412 -13.552 -4.703 510 2HG ARG 63 HG1 ARG 63 13.347 -13.470 -3.300 511 1HD ARG 63 HD2 ARG 63 12.447 -14.660 -5.917 512 2HD ARG 63 HD1 ARG 63 13.261 -15.624 -4.688 513 HE ARG 63 HE ARG 63 11.318 -15.544 -3.406 514 1HH1 ARG 63 HH21 ARG 63 10.466 -14.576 -6.434 515 2HH1 ARG 63 HH22 ARG 63 9.136 -13.564 -5.974 516 1HH2 ARG 63 HH11 ARG 63 9.902 -13.643 -2.593 517 2HH2 ARG 63 HH12 ARG 63 8.816 -13.036 -3.798 518 H LEU 64 HN LEU 64 12.763 -8.930 -3.488 519 HA LEU 64 HA LEU 64 11.295 -7.713 -5.562 520 1HB LEU 64 HB2 LEU 64 11.320 -7.287 -3.004 521 2HB LEU 64 HB1 LEU 64 12.692 -6.239 -3.331 522 HG LEU 64 HG LEU 64 10.514 -5.029 -3.247 523 1HD1 LEU 64 HD11 LEU 64 12.611 -4.596 -4.864 524 2HD1 LEU 64 HD12 LEU 64 11.182 -3.560 -4.850 525 3HD1 LEU 64 HD13 LEU 64 11.352 -4.811 -6.083 526 1HD2 LEU 64 HD21 LEU 64 8.752 -5.515 -4.641 527 2HD2 LEU 64 HD22 LEU 64 9.446 -7.131 -4.518 528 3HD2 LEU 64 HD23 LEU 64 9.797 -6.125 -5.924 529 H VAL 65 HN VAL 65 11.939 -6.500 -7.263 530 HA VAL 65 HA VAL 65 14.635 -5.341 -7.282 531 HB VAL 65 HB VAL 65 13.882 -6.692 -9.799 532 1HG1 VAL 65 HG11 VAL 65 16.177 -6.786 -10.073 533 2HG1 VAL 65 HG12 VAL 65 16.481 -6.989 -8.347 534 3HG1 VAL 65 HG13 VAL 65 16.060 -5.401 -8.988 535 1HG2 VAL 65 HG21 VAL 65 14.732 -8.884 -8.956 536 2HG2 VAL 65 HG22 VAL 65 13.206 -8.418 -8.205 537 3HG2 VAL 65 HG23 VAL 65 14.718 -8.230 -7.318 538 H VAL 66 HN VAL 66 11.346 -5.117 -8.052 539 HA VAL 66 HA VAL 66 11.832 -3.023 -10.056 540 HB VAL 66 HB VAL 66 9.316 -3.202 -10.342 541 1HG1 VAL 66 HG11 VAL 66 11.120 -4.313 -11.771 542 2HG1 VAL 66 HG12 VAL 66 9.520 -5.056 -11.830 543 3HG1 VAL 66 HG13 VAL 66 10.796 -5.785 -10.854 544 1HG2 VAL 66 HG21 VAL 66 8.176 -5.072 -9.406 545 2HG2 VAL 66 HG22 VAL 66 9.081 -4.354 -8.072 546 3HG2 VAL 66 HG23 VAL 66 9.685 -5.811 -8.865 547 H THR 67 HN THR 67 11.353 -0.940 -9.651 548 HA THR 67 HA THR 67 9.884 -0.336 -7.188 549 HB THR 67 HB THR 67 11.502 1.615 -6.876 550 HG1 THR 67 HG1 THR 67 13.635 0.748 -7.821 551 1HG2 THR 67 HG21 THR 67 11.773 -0.012 -5.260 552 2HG2 THR 67 HG22 THR 67 13.330 -0.159 -6.075 553 3HG2 THR 67 HG23 THR 67 12.029 -1.294 -6.444 554 HA PRO 68 HA PRO 68 9.380 1.682 -6.181 555 1HB PRO 68 HB2 PRO 68 6.630 2.513 -6.169 556 2HB PRO 68 HB1 PRO 68 8.060 3.464 -5.744 557 1HG PRO 68 HG2 PRO 68 6.432 3.841 -7.967 558 2HG PRO 68 HG1 PRO 68 8.035 4.539 -7.708 559 1HD PRO 68 HD2 PRO 68 7.232 2.290 -9.457 560 2HD PRO 68 HD1 PRO 68 8.643 3.362 -9.572 561 H ALA 69 HN ALA 69 8.167 0.478 -4.570 562 HA ALA 69 HA ALA 69 6.214 -1.457 -5.569 563 1HB ALA 69 HB1 ALA 69 8.244 -2.680 -5.933 564 2HB ALA 69 HB2 ALA 69 7.515 -3.320 -4.458 565 3HB ALA 69 HB3 ALA 69 8.880 -2.211 -4.356 566 H LEU 70 HN LEU 70 4.752 -2.015 -4.029 567 HA LEU 70 HA LEU 70 5.187 -0.945 -1.309 568 1HB LEU 70 HB2 LEU 70 3.340 0.033 -2.806 569 2HB LEU 70 HB1 LEU 70 2.508 -1.497 -2.561 570 HG LEU 70 HG LEU 70 3.518 0.195 -0.272 571 1HD1 LEU 70 HD11 LEU 70 1.181 0.529 -2.012 572 2HD1 LEU 70 HD12 LEU 70 1.872 1.645 -0.835 573 3HD1 LEU 70 HD13 LEU 70 0.755 0.386 -0.306 574 1HD2 LEU 70 HD21 LEU 70 3.061 -1.827 0.703 575 2HD2 LEU 70 HD22 LEU 70 1.991 -2.333 -0.605 576 3HD2 LEU 70 HD23 LEU 70 1.406 -1.228 0.635 577 H VAL 71 HN VAL 71 5.180 -2.360 0.349 578 HA VAL 71 HA VAL 71 4.119 -5.056 -0.204 579 HB VAL 71 HB VAL 71 6.605 -4.371 1.367 580 1HG1 VAL 71 HG11 VAL 71 5.091 -6.910 0.813 581 2HG1 VAL 71 HG12 VAL 71 5.754 -6.327 2.339 582 3HG1 VAL 71 HG13 VAL 71 6.831 -6.958 1.093 583 1HG2 VAL 71 HG21 VAL 71 6.992 -6.110 -0.906 584 2HG2 VAL 71 HG22 VAL 71 7.740 -4.546 -0.581 585 3HG2 VAL 71 HG23 VAL 71 6.198 -4.626 -1.433 586 H LYS 72 HN LYS 72 2.645 -5.766 1.153 587 HA LYS 72 HA LYS 72 2.162 -4.347 3.679 588 1HB LYS 72 HB2 LYS 72 0.282 -4.897 2.060 589 2HB LYS 72 HB1 LYS 72 0.534 -6.595 2.468 590 1HG LYS 72 HG2 LYS 72 0.413 -5.576 4.957 591 2HG LYS 72 HG1 LYS 72 -0.596 -4.392 4.126 592 1HD LYS 72 HD2 LYS 72 -1.787 -6.448 3.082 593 2HD LYS 72 HD1 LYS 72 -1.010 -7.365 4.377 594 1HE LYS 72 HE2 LYS 72 -2.002 -5.310 5.824 595 2HE LYS 72 HE1 LYS 72 -3.198 -5.362 4.528 596 1HZ LYS 72 HZ1 LYS 72 -3.368 -6.885 6.664 597 2HZ LYS 72 HZ2 LYS 72 -2.405 -7.907 5.709 598 3HZ LYS 72 HZ3 LYS 72 -3.924 -7.398 5.144 599 H ILE 73 HN ILE 73 2.759 -5.206 5.615 600 HA ILE 73 HA ILE 73 3.810 -7.958 5.541 601 HB ILE 73 HB ILE 73 4.714 -7.081 7.903 602 1HG1 ILE 73 HG12 ILE 73 3.480 -4.821 7.186 603 2HG1 ILE 73 HG11 ILE 73 5.013 -4.791 8.053 604 1HG2 ILE 73 HG21 ILE 73 5.800 -6.700 5.113 605 2HG2 ILE 73 HG22 ILE 73 6.221 -7.935 6.298 606 3HG2 ILE 73 HG23 ILE 73 6.754 -6.271 6.532 607 1HD1 ILE 73 HD11 ILE 73 6.248 -4.290 6.118 608 2HD1 ILE 73 HD12 ILE 73 4.778 -3.343 5.893 609 3HD1 ILE 73 HD13 ILE 73 4.979 -4.876 5.044 610 H GLY 74 HN GLY 74 1.208 -6.086 6.858 611 1HA GLY 74 HA2 GLY 74 -0.471 -7.954 7.642 612 2HA GLY 74 HA1 GLY 74 0.714 -8.110 8.934 613 HA PRO 75 HA PRO 75 -0.747 -8.546 10.499 614 1HB PRO 75 HB2 PRO 75 -3.533 -8.330 11.180 615 2HB PRO 75 HB1 PRO 75 -2.140 -8.438 12.266 616 1HG PRO 75 HG2 PRO 75 -3.763 -6.199 11.822 617 2HG PRO 75 HG1 PRO 75 -2.245 -6.260 12.722 618 1HD PRO 75 HD2 PRO 75 -2.767 -5.130 10.072 619 2HD PRO 75 HD1 PRO 75 -1.356 -4.909 11.126 620 H GLY 76 HN GLY 76 -2.175 -10.468 9.987 621 1HA GLY 76 HA2 GLY 76 -3.703 -11.587 8.553 622 2HA GLY 76 HA1 GLY 76 -3.748 -10.156 7.524 623 H SER 77 HN SER 77 -3.373 -11.693 5.743 624 HA SER 77 HA SER 77 -0.923 -13.153 5.587 625 1HB SER 77 HB2 SER 77 -2.555 -14.034 4.203 626 2HB SER 77 HB1 SER 77 -3.085 -12.453 3.633 627 HG SER 77 HG SER 77 -0.783 -12.395 2.787 628 H ARG 78 HN ARG 78 0.814 -12.787 4.152 629 HA ARG 78 HA ARG 78 1.604 -9.973 4.000 630 1HB ARG 78 HB2 ARG 78 3.160 -11.779 4.816 631 2HB ARG 78 HB1 ARG 78 3.168 -12.434 3.177 632 1HG ARG 78 HG2 ARG 78 4.036 -10.312 2.305 633 2HG ARG 78 HG1 ARG 78 3.970 -9.603 3.919 634 1HD ARG 78 HD2 ARG 78 6.240 -10.301 3.547 635 2HD ARG 78 HD1 ARG 78 5.529 -11.435 4.690 636 HE ARG 78 HE ARG 78 5.092 -12.767 2.456 637 1HH1 ARG 78 HH21 ARG 78 7.374 -10.500 1.800 638 2HH1 ARG 78 HH22 ARG 78 8.702 -11.584 1.554 639 1HH2 ARG 78 HH11 ARG 78 7.037 -14.346 2.818 640 2HH2 ARG 78 HH12 ARG 78 8.513 -13.755 2.130 641 H GLN 79 HN GLN 79 1.939 -8.849 2.084 642 HA GLN 79 HA GLN 79 1.543 -10.287 -0.444 643 1HB GLN 79 HB2 GLN 79 -0.028 -7.811 0.300 644 2HB GLN 79 HB1 GLN 79 -0.113 -8.686 -1.231 645 1HG GLN 79 HG2 GLN 79 -0.767 -10.742 0.126 646 2HG GLN 79 HG1 GLN 79 -0.957 -9.660 1.506 647 1HE2 GLN 79 HE21 GLN 79 -1.723 -7.883 -1.232 648 2HE2 GLN 79 HE22 GLN 79 -3.405 -8.115 -1.230 649 H VAL 80 HN VAL 80 2.239 -9.092 -2.311 650 HA VAL 80 HA VAL 80 3.999 -6.799 -1.703 651 HB VAL 80 HB VAL 80 4.656 -9.100 -3.554 652 1HG1 VAL 80 HG11 VAL 80 5.937 -6.475 -2.893 653 2HG1 VAL 80 HG12 VAL 80 5.823 -7.306 -4.444 654 3HG1 VAL 80 HG13 VAL 80 6.977 -7.858 -3.231 655 1HG2 VAL 80 HG21 VAL 80 5.214 -8.556 -0.685 656 2HG2 VAL 80 HG22 VAL 80 6.576 -9.133 -1.646 657 3HG2 VAL 80 HG23 VAL 80 5.102 -10.096 -1.537 658 H LEU 81 HN LEU 81 3.466 -5.084 -2.897 659 HA LEU 81 HA LEU 81 2.177 -5.549 -5.520 660 1HB LEU 81 HB2 LEU 81 1.810 -3.147 -3.733 661 2HB LEU 81 HB1 LEU 81 0.935 -3.507 -5.215 662 HG LEU 81 HG LEU 81 0.877 -5.300 -2.774 663 1HD1 LEU 81 HD11 LEU 81 -1.550 -4.240 -2.747 664 2HD1 LEU 81 HD12 LEU 81 -0.737 -2.901 -3.556 665 3HD1 LEU 81 HD13 LEU 81 -0.207 -3.416 -1.955 666 1HD2 LEU 81 HD21 LEU 81 -1.432 -5.380 -4.499 667 2HD2 LEU 81 HD22 LEU 81 -0.306 -6.682 -4.111 668 3HD2 LEU 81 HD23 LEU 81 0.020 -5.607 -5.467 669 H SER 82 HN SER 82 3.201 -4.717 -7.262 670 HA SER 82 HA SER 82 4.809 -2.330 -7.041 671 1HB SER 82 HB2 SER 82 6.462 -3.920 -6.279 672 2HB SER 82 HB1 SER 82 6.145 -4.975 -7.649 673 HG SER 82 HG SER 82 6.899 -2.271 -7.973 674 H GLY 83 HN GLY 83 5.922 -1.863 -9.163 675 1HA GLY 83 HA2 GLY 83 5.963 -1.915 -11.523 676 2HA GLY 83 HA1 GLY 83 4.654 -3.087 -11.505 677 H ILE 84 HN ILE 84 5.067 0.201 -10.238 678 HA ILE 84 HA ILE 84 3.629 2.003 -10.218 679 HB ILE 84 HB ILE 84 3.292 2.925 -12.383 680 1HG1 ILE 84 HG12 ILE 84 3.721 0.173 -13.583 681 2HG1 ILE 84 HG11 ILE 84 2.116 0.839 -13.290 682 1HG2 ILE 84 HG21 ILE 84 5.702 2.052 -11.543 683 2HG2 ILE 84 HG22 ILE 84 5.482 2.927 -13.059 684 3HG2 ILE 84 HG23 ILE 84 5.589 1.166 -13.064 685 1HD1 ILE 84 HD11 ILE 84 2.649 1.358 -15.563 686 2HD1 ILE 84 HD12 ILE 84 4.259 1.927 -15.124 687 3HD1 ILE 84 HD13 ILE 84 2.836 2.861 -14.659 688 H ASP 85 HN ASP 85 2.324 -0.987 -10.530 689 HA ASP 85 HA ASP 85 -0.408 -0.016 -11.035 690 1HB ASP 85 HB2 ASP 85 -1.044 -2.343 -11.253 691 2HB ASP 85 HB1 ASP 85 0.372 -2.047 -12.259 692 H LEU 86 HN LEU 86 1.549 0.013 -8.577 693 HA LEU 86 HA LEU 86 0.582 -1.414 -6.448 694 1HB LEU 86 HB2 LEU 86 1.375 1.500 -6.307 695 2HB LEU 86 HB1 LEU 86 1.505 0.289 -5.038 696 HG LEU 86 HG LEU 86 2.949 -0.976 -6.897 697 1HD1 LEU 86 HD11 LEU 86 2.518 1.529 -8.121 698 2HD1 LEU 86 HD12 LEU 86 3.679 0.298 -8.611 699 3HD1 LEU 86 HD13 LEU 86 4.171 1.584 -7.511 700 1HD2 LEU 86 HD21 LEU 86 3.646 1.088 -4.849 701 2HD2 LEU 86 HD22 LEU 86 4.934 0.485 -5.892 702 3HD2 LEU 86 HD23 LEU 86 4.020 -0.632 -4.883 703 H THR 87 HN THR 87 -0.714 1.634 -7.763 704 HA THR 87 HA THR 87 -2.662 1.982 -5.734 705 HB THR 87 HB THR 87 -3.707 3.593 -7.282 706 HG1 THR 87 HG1 THR 87 -2.021 2.253 -9.070 707 1HG2 THR 87 HG21 THR 87 -1.827 5.111 -7.477 708 2HG2 THR 87 HG22 THR 87 -0.685 3.769 -7.387 709 3HG2 THR 87 HG23 THR 87 -1.651 4.200 -5.977 710 H ASP 88 HN ASP 88 -2.847 0.432 -8.944 711 HA ASP 88 HA ASP 88 -5.645 -0.125 -8.684 712 1HB ASP 88 HB2 ASP 88 -3.496 -1.176 -10.523 713 2HB ASP 88 HB1 ASP 88 -5.160 -1.746 -10.586 714 H GLN 89 HN GLN 89 -2.671 -2.012 -8.215 715 HA GLN 89 HA GLN 89 -4.018 -4.409 -7.477 716 1HB GLN 89 HB2 GLN 89 -1.414 -3.761 -8.055 717 2HB GLN 89 HB1 GLN 89 -1.351 -4.002 -6.307 718 1HG GLN 89 HG2 GLN 89 -2.353 -6.205 -6.519 719 2HG GLN 89 HG1 GLN 89 -2.616 -5.962 -8.245 720 1HE2 GLN 89 HE21 GLN 89 0.273 -4.499 -7.829 721 2HE2 GLN 89 HE22 GLN 89 1.319 -5.814 -8.069 722 H LEU 90 HN LEU 90 -2.698 -1.659 -5.627 723 HA LEU 90 HA LEU 90 -3.130 -2.723 -3.053 724 1HB LEU 90 HB2 LEU 90 -1.821 -0.692 -3.412 725 2HB LEU 90 HB1 LEU 90 -3.259 0.154 -3.989 726 HG LEU 90 HG LEU 90 -4.328 -0.347 -1.746 727 1HD1 LEU 90 HD11 LEU 90 -1.542 -1.389 -1.283 728 2HD1 LEU 90 HD12 LEU 90 -3.085 -2.128 -0.856 729 3HD1 LEU 90 HD13 LEU 90 -2.488 -0.743 0.057 730 1HD2 LEU 90 HD21 LEU 90 -2.735 1.722 -2.536 731 2HD2 LEU 90 HD22 LEU 90 -1.890 1.192 -1.082 732 3HD2 LEU 90 HD23 LEU 90 -3.584 1.673 -0.992 733 H ALA 91 HN ALA 91 -5.227 -0.791 -5.163 734 HA ALA 91 HA ALA 91 -7.426 -0.556 -3.431 735 1HB ALA 91 HB1 ALA 91 -8.623 -0.620 -5.863 736 2HB ALA 91 HB2 ALA 91 -6.959 -0.282 -6.341 737 3HB ALA 91 HB3 ALA 91 -7.792 0.798 -5.222 738 H ASN 92 HN ASN 92 -6.366 -3.167 -5.507 739 HA ASN 92 HA ASN 92 -8.816 -4.674 -5.257 740 1HB ASN 92 HB2 ASN 92 -6.086 -5.319 -6.370 741 2HB ASN 92 HB1 ASN 92 -7.420 -6.461 -6.356 742 1HD2 ASN 92 HD21 ASN 92 -6.293 -5.557 -8.822 743 2HD2 ASN 92 HD22 ASN 92 -7.445 -4.597 -9.619 744 H GLN 93 HN GLN 93 -5.588 -4.700 -3.847 745 HA GLN 93 HA GLN 93 -6.037 -7.095 -2.336 746 1HB GLN 93 HB2 GLN 93 -3.859 -5.002 -2.214 747 2HB GLN 93 HB1 GLN 93 -3.861 -6.498 -1.294 748 1HG GLN 93 HG2 GLN 93 -3.887 -6.269 -4.303 749 2HG GLN 93 HG1 GLN 93 -2.542 -6.813 -3.304 750 1HE2 GLN 93 HE21 GLN 93 -4.737 -8.106 -5.311 751 2HE2 GLN 93 HE22 GLN 93 -5.051 -9.571 -4.517 752 H LEU 94 HN LEU 94 -6.174 -3.631 -1.693 753 HA LEU 94 HA LEU 94 -6.249 -3.654 1.073 754 1HB LEU 94 HB2 LEU 94 -6.164 -1.549 0.109 755 2HB LEU 94 HB1 LEU 94 -7.490 -1.874 -0.995 756 HG LEU 94 HG LEU 94 -9.087 -1.870 0.869 757 1HD1 LEU 94 HD11 LEU 94 -8.165 -1.103 3.131 758 2HD1 LEU 94 HD12 LEU 94 -6.568 -1.506 2.503 759 3HD1 LEU 94 HD13 LEU 94 -7.793 -2.763 2.668 760 1HD2 LEU 94 HD21 LEU 94 -8.204 0.573 1.764 761 2HD2 LEU 94 HD22 LEU 94 -9.093 0.319 0.261 762 3HD2 LEU 94 HD23 LEU 94 -7.331 0.408 0.241 763 HA PRO 95 HA PRO 95 -11.158 -4.092 0.855 764 1HB PRO 95 HB2 PRO 95 -11.620 -5.774 -1.428 765 2HB PRO 95 HB1 PRO 95 -12.246 -4.144 -1.135 766 1HG PRO 95 HG2 PRO 95 -10.027 -5.011 -2.822 767 2HG PRO 95 HG1 PRO 95 -10.938 -3.494 -2.841 768 1HD PRO 95 HD2 PRO 95 -8.339 -3.684 -1.978 769 2HD PRO 95 HD1 PRO 95 -9.484 -2.449 -1.405 770 H GLN 96 HN GLN 96 -9.237 -6.598 -0.782 771 HA GLN 96 HA GLN 96 -10.401 -8.836 0.446 772 1HB GLN 96 HB2 GLN 96 -7.610 -8.461 -0.660 773 2HB GLN 96 HB1 GLN 96 -8.345 -10.019 -0.268 774 1HG GLN 96 HG2 GLN 96 -10.186 -9.538 -1.848 775 2HG GLN 96 HG1 GLN 96 -9.422 -8.006 -2.260 776 1HE2 GLN 96 HE21 GLN 96 -8.034 -8.076 -4.030 777 2HE2 GLN 96 HE22 GLN 96 -7.306 -9.487 -4.633 778 H TRP 97 HN TRP 97 -7.818 -6.692 1.480 779 HA TRP 97 HA TRP 97 -6.838 -8.263 3.630 780 1HB TRP 97 HB2 TRP 97 -6.915 -5.248 3.353 781 2HB TRP 97 HB1 TRP 97 -5.910 -6.153 4.484 782 HD1 TRP 97 HD1 TRP 97 -5.759 -8.331 1.730 783 HE1 TRP 97 HE1 TRP 97 -3.780 -7.842 0.147 784 HE3 TRP 97 HE3 TRP 97 -4.568 -3.605 3.253 785 HZ2 TRP 97 HZ2 TRP 97 -1.937 -5.722 -0.391 786 HZ3 TRP 97 HZ3 TRP 97 -2.700 -2.375 2.189 787 HH2 TRP 97 HH2 TRP 97 -1.382 -3.426 0.370 788 H LEU 98 HN LEU 98 -9.417 -5.870 3.349 789 HA LEU 98 HA LEU 98 -10.080 -5.875 6.140 790 1HB LEU 98 HB2 LEU 98 -11.689 -4.942 3.752 791 2HB LEU 98 HB1 LEU 98 -11.999 -4.540 5.437 792 HG LEU 98 HG LEU 98 -9.505 -3.824 3.873 793 1HD1 LEU 98 HD11 LEU 98 -10.760 -1.535 4.898 794 2HD1 LEU 98 HD12 LEU 98 -12.078 -2.525 4.269 795 3HD1 LEU 98 HD13 LEU 98 -10.745 -2.059 3.214 796 1HD2 LEU 98 HD21 LEU 98 -8.750 -4.071 6.077 797 2HD2 LEU 98 HD22 LEU 98 -10.295 -3.577 6.765 798 3HD2 LEU 98 HD23 LEU 98 -9.227 -2.372 6.045 799 H VAL 99 HN VAL 99 -11.261 -7.490 3.247 800 HA VAL 99 HA VAL 99 -13.598 -8.610 4.373 801 HB VAL 99 HB VAL 99 -11.937 -9.565 2.038 802 1HG1 VAL 99 HG11 VAL 99 -13.523 -11.256 2.979 803 2HG1 VAL 99 HG12 VAL 99 -13.957 -10.739 1.349 804 3HG1 VAL 99 HG13 VAL 99 -14.838 -10.105 2.739 805 1HG2 VAL 99 HG21 VAL 99 -13.132 -7.153 2.263 806 2HG2 VAL 99 HG22 VAL 99 -14.514 -8.107 1.724 807 3HG2 VAL 99 HG23 VAL 99 -13.053 -8.035 0.738 808 H GLN 100 HN GLN 100 -10.345 -9.991 3.905 809 HA GLN 100 HA GLN 100 -9.396 -11.927 4.754 810 1HB GLN 100 HB2 GLN 100 -11.129 -11.156 7.118 811 2HB GLN 100 HB1 GLN 100 -9.765 -12.273 7.167 812 1HG GLN 100 HG2 GLN 100 -8.240 -10.496 6.469 813 2HG GLN 100 HG1 GLN 100 -9.591 -9.373 6.318 814 1HE2 GLN 100 HE21 GLN 100 -7.645 -8.540 8.041 815 2HE2 GLN 100 HE22 GLN 100 -8.129 -8.743 9.656 816 H GLN 101 HN GLN 101 -11.098 -12.801 3.018 817 HA GLN 101 HA GLN 101 -13.407 -14.138 3.891 818 1HB GLN 101 HB2 GLN 101 -11.595 -14.797 1.559 819 2HB GLN 101 HB1 GLN 101 -13.224 -15.435 1.794 820 1HG GLN 101 HG2 GLN 101 -14.114 -13.123 1.797 821 2HG GLN 101 HG1 GLN 101 -12.488 -12.510 1.507 822 1HE2 GLN 101 HE21 GLN 101 -14.432 -11.905 -0.398 823 2HE2 GLN 101 HE22 GLN 101 -14.160 -12.810 -1.809 824 H GLU 102 HN GLU 102 -13.696 -15.854 5.095 825 HA GLU 102 HA GLU 102 -11.419 -17.620 5.695 826 1HB GLU 102 HB2 GLU 102 -14.124 -17.342 7.039 827 2HB GLU 102 HB1 GLU 102 -12.800 -18.367 7.593 828 1HG GLU 102 HG2 GLU 102 -11.369 -16.414 7.908 829 2HG GLU 102 HG1 GLU 102 -12.627 -15.359 7.267 830 H GLY 103 HN GLY 103 -11.354 -19.674 4.969 831 1HA GLY 103 HA2 GLY 103 -11.943 -21.345 3.426 832 2HA GLY 103 HA1 GLY 103 -13.163 -21.599 4.671 833 H ILE 104 HN ILE 104 -15.110 -21.854 3.785 834 HA ILE 104 HA ILE 104 -15.843 -20.166 1.465 835 HB ILE 104 HB ILE 104 -15.706 -22.550 0.880 836 1HG1 ILE 104 HG12 ILE 104 -18.591 -21.649 1.117 837 2HG1 ILE 104 HG11 ILE 104 -17.470 -21.037 -0.099 838 1HG2 ILE 104 HG21 ILE 104 -17.011 -24.211 1.990 839 2HG2 ILE 104 HG22 ILE 104 -17.936 -22.998 2.871 840 3HG2 ILE 104 HG23 ILE 104 -16.244 -23.282 3.279 841 1HD1 ILE 104 HD11 ILE 104 -17.230 -23.841 -0.208 842 2HD1 ILE 104 HD12 ILE 104 -18.018 -22.797 -1.390 843 3HD1 ILE 104 HD13 ILE 104 -18.960 -23.521 -0.087 844 H PHE 105 HN PHE 105 -17.695 -18.997 1.577 845 HA PHE 105 HA PHE 105 -19.497 -17.933 2.534 846 1HB PHE 105 HB2 PHE 105 -19.948 -20.750 2.694 847 2HB PHE 105 HB1 PHE 105 -20.570 -20.011 4.168 848 HD1 PHE 105 HD1 PHE 105 -20.921 -20.251 0.524 849 HD2 PHE 105 HD2 PHE 105 -22.325 -18.271 4.070 850 HE1 PHE 105 HE1 PHE 105 -22.895 -19.412 -0.723 851 HE2 PHE 105 HE2 PHE 105 -24.298 -17.433 2.820 852 HZ PHE 105 HZ PHE 105 -24.581 -18.005 0.424 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 0.875 4.122 36.448 2 2H GLY 1 HT2 GLY 1 1.019 4.837 34.915 3 3H GLY 1 HT3 GLY 1 1.699 3.308 35.210 4 1HA GLY 1 HA2 GLY 1 -0.587 2.458 35.652 5 2HA GLY 1 HA1 GLY 1 -1.178 4.012 35.064 6 H SER 2 HN SER 2 1.114 1.445 34.118 7 HA SER 2 HA SER 2 0.866 2.072 31.318 8 1HB SER 2 HB2 SER 2 2.195 -0.099 31.091 9 2HB SER 2 HB1 SER 2 2.969 1.210 31.978 10 HG SER 2 HG SER 2 1.478 -0.912 33.144 11 H SER 3 HN SER 3 -1.354 0.854 33.277 12 HA SER 3 HA SER 3 -2.442 -0.952 31.206 13 1HB SER 3 HB2 SER 3 -1.699 -2.393 32.982 14 2HB SER 3 HB1 SER 3 -2.434 -1.357 34.202 15 HG SER 3 HG SER 3 -3.587 -3.358 33.336 16 H LEU 4 HN LEU 4 -3.129 1.653 31.117 17 HA LEU 4 HA LEU 4 -5.259 2.496 32.745 18 1HB LEU 4 HB2 LEU 4 -3.937 3.922 31.146 19 2HB LEU 4 HB1 LEU 4 -4.873 3.210 29.834 20 HG LEU 4 HG LEU 4 -6.324 4.360 32.195 21 1HD1 LEU 4 HD11 LEU 4 -4.558 6.015 31.341 22 2HD1 LEU 4 HD12 LEU 4 -6.228 6.580 31.345 23 3HD1 LEU 4 HD13 LEU 4 -5.483 6.054 29.837 24 1HD2 LEU 4 HD21 LEU 4 -7.013 3.256 29.669 25 2HD2 LEU 4 HD22 LEU 4 -7.383 4.977 29.584 26 3HD2 LEU 4 HD23 LEU 4 -8.095 3.986 30.855 27 H SER 5 HN SER 5 -5.221 0.529 29.804 28 HA SER 5 HA SER 5 -8.143 0.294 29.990 29 1HB SER 5 HB2 SER 5 -6.541 0.717 27.788 30 2HB SER 5 HB1 SER 5 -6.850 -1.014 27.706 31 HG SER 5 HG SER 5 -8.521 1.086 27.263 32 HA PRO 6 HA PRO 6 -7.833 -3.901 31.332 33 1HB PRO 6 HB2 PRO 6 -9.916 -4.966 29.651 34 2HB PRO 6 HB1 PRO 6 -10.027 -4.457 31.343 35 1HG PRO 6 HG2 PRO 6 -11.236 -3.200 29.202 36 2HG PRO 6 HG1 PRO 6 -10.950 -2.481 30.794 37 1HD PRO 6 HD2 PRO 6 -9.453 -2.073 28.244 38 2HD PRO 6 HD1 PRO 6 -9.730 -0.954 29.594 39 H GLN 7 HN GLN 7 -8.906 -4.456 27.983 40 HA GLN 7 HA GLN 7 -6.771 -6.444 27.670 41 1HB GLN 7 HB2 GLN 7 -9.178 -5.869 25.929 42 2HB GLN 7 HB1 GLN 7 -8.060 -7.222 25.747 43 1HG GLN 7 HG2 GLN 7 -8.650 -7.996 28.029 44 2HG GLN 7 HG1 GLN 7 -9.806 -6.671 28.162 45 1HE2 GLN 7 HE21 GLN 7 -11.405 -8.553 28.430 46 2HE2 GLN 7 HE22 GLN 7 -12.036 -9.253 27.018 47 H ALA 8 HN ALA 8 -5.454 -6.513 25.809 48 HA ALA 8 HA ALA 8 -4.382 -4.020 25.010 49 1HB ALA 8 HB1 ALA 8 -3.630 -5.953 23.100 50 2HB ALA 8 HB2 ALA 8 -3.792 -6.815 24.630 51 3HB ALA 8 HB3 ALA 8 -2.710 -5.429 24.512 52 H LEU 9 HN LEU 9 -4.683 -2.783 23.216 53 HA LEU 9 HA LEU 9 -7.076 -3.303 21.646 54 1HB LEU 9 HB2 LEU 9 -6.344 -1.053 20.581 55 2HB LEU 9 HB1 LEU 9 -6.915 -1.043 22.250 56 HG LEU 9 HG LEU 9 -3.991 -1.455 21.729 57 1HD1 LEU 9 HD11 LEU 9 -3.628 0.969 21.723 58 2HD1 LEU 9 HD12 LEU 9 -5.368 1.248 21.792 59 3HD1 LEU 9 HD13 LEU 9 -4.649 0.514 20.358 60 1HD2 LEU 9 HD21 LEU 9 -3.836 -1.040 23.954 61 2HD2 LEU 9 HD22 LEU 9 -5.582 -1.284 23.986 62 3HD2 LEU 9 HD23 LEU 9 -4.922 0.347 23.855 63 H ALA 10 HN ALA 10 -7.093 -3.386 19.344 64 HA ALA 10 HA ALA 10 -5.117 -5.057 18.225 65 1HB ALA 10 HB1 ALA 10 -7.103 -5.249 17.079 66 2HB ALA 10 HB2 ALA 10 -6.263 -4.121 16.014 67 3HB ALA 10 HB3 ALA 10 -7.450 -3.522 17.173 68 H GLN 11 HN GLN 11 -3.428 -4.664 16.836 69 HA GLN 11 HA GLN 11 -2.247 -2.018 17.018 70 1HB GLN 11 HB2 GLN 11 -1.156 -4.438 15.578 71 2HB GLN 11 HB1 GLN 11 -0.256 -3.042 16.171 72 1HG GLN 11 HG2 GLN 11 -0.575 -3.667 18.443 73 2HG GLN 11 HG1 GLN 11 -1.842 -4.818 18.029 74 1HE2 GLN 11 HE21 GLN 11 -0.128 -5.761 15.642 75 2HE2 GLN 11 HE22 GLN 11 1.032 -6.773 16.355 76 HA PRO 12 HA PRO 12 -3.709 -0.497 13.140 77 1HB PRO 12 HB2 PRO 12 -1.209 0.751 12.469 78 2HB PRO 12 HB1 PRO 12 -2.678 1.512 13.095 79 1HG PRO 12 HG2 PRO 12 -0.214 0.910 14.461 80 2HG PRO 12 HG1 PRO 12 -1.596 1.861 15.013 81 1HD PRO 12 HD2 PRO 12 -0.848 -0.669 15.976 82 2HD PRO 12 HD1 PRO 12 -2.405 0.136 16.255 83 H LEU 13 HN LEU 13 -3.022 -0.433 10.781 84 HA LEU 13 HA LEU 13 -1.966 -3.030 10.034 85 1HB LEU 13 HB2 LEU 13 -3.963 -1.832 8.969 86 2HB LEU 13 HB1 LEU 13 -2.780 -0.778 8.195 87 HG LEU 13 HG LEU 13 -2.741 -3.800 7.970 88 1HD1 LEU 13 HD11 LEU 13 -3.407 -2.858 5.503 89 2HD1 LEU 13 HD12 LEU 13 -4.240 -1.695 6.538 90 3HD1 LEU 13 HD13 LEU 13 -4.590 -3.419 6.688 91 1HD2 LEU 13 HD21 LEU 13 -0.630 -3.252 7.278 92 2HD2 LEU 13 HD22 LEU 13 -1.053 -1.561 7.008 93 3HD2 LEU 13 HD23 LEU 13 -1.454 -2.774 5.795 94 H LEU 14 HN LEU 14 0.071 -3.421 9.257 95 HA LEU 14 HA LEU 14 1.871 -1.118 9.095 96 1HB LEU 14 HB2 LEU 14 2.489 -4.080 9.092 97 2HB LEU 14 HB1 LEU 14 3.649 -2.767 9.247 98 HG LEU 14 HG LEU 14 1.495 -3.583 11.199 99 1HD1 LEU 14 HD11 LEU 14 3.333 -3.824 12.743 100 2HD1 LEU 14 HD12 LEU 14 4.458 -3.094 11.597 101 3HD1 LEU 14 HD13 LEU 14 3.765 -4.681 11.262 102 1HD2 LEU 14 HD21 LEU 14 3.022 -0.988 10.958 103 2HD2 LEU 14 HD22 LEU 14 2.409 -1.550 12.513 104 3HD2 LEU 14 HD23 LEU 14 1.287 -1.223 11.192 105 H LEU 15 HN LEU 15 2.060 -0.219 7.199 106 HA LEU 15 HA LEU 15 2.135 -1.933 4.790 107 1HB LEU 15 HB2 LEU 15 0.033 -0.489 5.175 108 2HB LEU 15 HB1 LEU 15 1.074 0.898 4.875 109 HG LEU 15 HG LEU 15 -0.126 0.150 2.837 110 1HD1 LEU 15 HD11 LEU 15 1.673 0.643 1.502 111 2HD1 LEU 15 HD12 LEU 15 2.717 -0.531 2.297 112 3HD1 LEU 15 HD13 LEU 15 2.399 1.025 3.060 113 1HD2 LEU 15 HD21 LEU 15 0.315 -2.382 3.738 114 2HD2 LEU 15 HD22 LEU 15 1.613 -2.238 2.553 115 3HD2 LEU 15 HD23 LEU 15 -0.063 -2.002 2.060 116 H GLN 16 HN GLN 16 3.914 -1.670 3.509 117 HA GLN 16 HA GLN 16 5.584 0.718 4.018 118 1HB GLN 16 HB2 GLN 16 6.415 -2.158 3.728 119 2HB GLN 16 HB1 GLN 16 7.541 -0.835 3.422 120 1HG GLN 16 HG2 GLN 16 7.049 0.072 5.685 121 2HG GLN 16 HG1 GLN 16 6.007 -1.321 5.993 122 1HE2 GLN 16 HE21 GLN 16 8.436 -2.490 4.057 123 2HE2 GLN 16 HE22 GLN 16 9.515 -3.025 5.254 124 H LEU 17 HN LEU 17 6.967 1.371 2.289 125 HA LEU 17 HA LEU 17 6.176 0.437 -0.378 126 1HB LEU 17 HB2 LEU 17 4.799 2.404 0.117 127 2HB LEU 17 HB1 LEU 17 6.249 3.327 0.502 128 HG LEU 17 HG LEU 17 7.043 2.725 -1.879 129 1HD1 LEU 17 HD11 LEU 17 4.265 2.584 -2.788 130 2HD1 LEU 17 HD12 LEU 17 4.737 1.176 -1.838 131 3HD1 LEU 17 HD13 LEU 17 5.654 1.616 -3.279 132 1HD2 LEU 17 HD21 LEU 17 6.325 4.981 -1.247 133 2HD2 LEU 17 HD22 LEU 17 4.633 4.523 -1.454 134 3HD2 LEU 17 HD23 LEU 17 5.707 4.588 -2.852 135 H PHE 18 HN PHE 18 7.849 0.158 -1.707 136 HA PHE 18 HA PHE 18 10.503 1.030 -0.794 137 1HB PHE 18 HB2 PHE 18 9.568 -0.975 -2.855 138 2HB PHE 18 HB1 PHE 18 11.258 -0.500 -2.689 139 HD1 PHE 18 HD1 PHE 18 8.428 -2.237 -1.065 140 HD2 PHE 18 HD2 PHE 18 12.560 -1.138 -0.749 141 HE1 PHE 18 HE1 PHE 18 8.721 -3.855 0.795 142 HE2 PHE 18 HE2 PHE 18 12.864 -2.742 1.100 143 HZ PHE 18 HZ PHE 18 10.940 -4.106 1.882 144 H VAL 19 HN VAL 19 11.397 2.806 -1.649 145 HA VAL 19 HA VAL 19 10.686 3.538 -4.423 146 HB VAL 19 HB VAL 19 10.340 5.812 -3.843 147 1HG1 VAL 19 HG11 VAL 19 8.455 5.690 -2.347 148 2HG1 VAL 19 HG12 VAL 19 9.087 4.227 -1.588 149 3HG1 VAL 19 HG13 VAL 19 8.503 4.176 -3.252 150 1HG2 VAL 19 HG21 VAL 19 11.439 5.012 -1.133 151 2HG2 VAL 19 HG22 VAL 19 10.657 6.562 -1.441 152 3HG2 VAL 19 HG23 VAL 19 12.151 6.147 -2.282 153 H ASP 20 HN ASP 20 12.230 4.817 -5.526 154 HA ASP 20 HA ASP 20 14.956 4.573 -4.423 155 1HB ASP 20 HB2 ASP 20 15.770 4.609 -6.686 156 2HB ASP 20 HB1 ASP 20 14.466 3.426 -6.608 157 H THR 21 HN THR 21 12.789 6.677 -4.049 158 HA THR 21 HA THR 21 12.859 8.913 -3.518 159 HB THR 21 HB THR 21 14.853 10.161 -3.594 160 HG1 THR 21 HG1 THR 21 15.448 8.461 -5.729 161 1HG2 THR 21 HG21 THR 21 16.602 8.044 -3.242 162 2HG2 THR 21 HG22 THR 21 15.036 7.334 -2.861 163 3HG2 THR 21 HG23 THR 21 15.589 8.759 -1.988 164 H ARG 22 HN ARG 22 12.528 7.591 -6.452 165 HA ARG 22 HA ARG 22 12.719 9.915 -8.130 166 1HB ARG 22 HB2 ARG 22 11.717 8.552 -9.848 167 2HB ARG 22 HB1 ARG 22 12.929 7.596 -8.996 168 1HG ARG 22 HG2 ARG 22 11.084 6.656 -7.567 169 2HG ARG 22 HG1 ARG 22 9.927 7.489 -8.607 170 1HD ARG 22 HD2 ARG 22 10.238 6.046 -10.331 171 2HD ARG 22 HD1 ARG 22 11.967 5.910 -10.038 172 HE ARG 22 HE ARG 22 10.195 4.564 -8.135 173 1HH1 ARG 22 HH11 ARG 22 10.813 3.802 -11.271 174 2HH1 ARG 22 HH12 ARG 22 11.750 2.376 -10.975 175 1HH2 ARG 22 HH21 ARG 22 12.062 2.965 -7.573 176 2HH2 ARG 22 HH22 ARG 22 12.454 1.901 -8.882 177 HA PRO 23 HA PRO 23 9.011 12.075 -7.170 178 1HB PRO 23 HB2 PRO 23 8.230 12.451 -9.909 179 2HB PRO 23 HB1 PRO 23 9.010 13.614 -8.828 180 1HG PRO 23 HG2 PRO 23 10.145 12.040 -10.973 181 2HG PRO 23 HG1 PRO 23 10.829 13.426 -10.114 182 1HD PRO 23 HD2 PRO 23 11.728 10.811 -9.860 183 2HD PRO 23 HD1 PRO 23 12.011 12.094 -8.667 184 H LEU 24 HN LEU 24 8.840 9.597 -9.710 185 HA LEU 24 HA LEU 24 6.078 9.264 -9.868 186 1HB LEU 24 HB2 LEU 24 7.689 8.153 -11.369 187 2HB LEU 24 HB1 LEU 24 8.210 7.120 -10.037 188 HG LEU 24 HG LEU 24 5.768 6.411 -9.811 189 1HD1 LEU 24 HD11 LEU 24 4.362 7.734 -11.020 190 2HD1 LEU 24 HD12 LEU 24 4.829 6.701 -12.369 191 3HD1 LEU 24 HD13 LEU 24 5.639 8.247 -12.123 192 1HD2 LEU 24 HD21 LEU 24 7.501 4.988 -10.821 193 2HD2 LEU 24 HD22 LEU 24 7.257 5.784 -12.376 194 3HD2 LEU 24 HD23 LEU 24 5.971 4.798 -11.680 195 H SER 25 HN SER 25 8.413 7.794 -7.614 196 HA SER 25 HA SER 25 6.540 6.164 -6.240 197 1HB SER 25 HB2 SER 25 8.247 5.946 -4.534 198 2HB SER 25 HB1 SER 25 9.017 5.882 -6.116 199 HG SER 25 HG SER 25 9.159 7.795 -4.119 200 H GLN 26 HN GLN 26 7.726 9.460 -5.739 201 HA GLN 26 HA GLN 26 6.305 9.966 -3.322 202 1HB GLN 26 HB2 GLN 26 7.221 11.881 -5.497 203 2HB GLN 26 HB1 GLN 26 6.692 12.351 -3.881 204 1HG GLN 26 HG2 GLN 26 9.029 10.510 -4.464 205 2HG GLN 26 HG1 GLN 26 9.176 12.220 -4.067 206 1HE2 GLN 26 HE21 GLN 26 9.396 9.221 -2.661 207 2HE2 GLN 26 HE22 GLN 26 8.970 9.628 -1.069 208 H HIS 27 HN HIS 27 5.619 10.074 -6.709 209 HA HIS 27 HA HIS 27 3.130 11.429 -6.727 210 1HB HIS 27 HB2 HIS 27 4.835 10.516 -8.598 211 2HB HIS 27 HB1 HIS 27 3.685 9.184 -8.609 212 HD1 HIS 27 HD1 HIS 27 1.051 10.749 -8.208 213 HD2 HIS 27 HD2 HIS 27 4.086 11.892 -10.828 214 HE1 HIS 27 HE1 HIS 27 -0.043 12.210 -9.969 215 H ILE 28 HN ILE 28 4.003 7.994 -6.772 216 HA ILE 28 HA ILE 28 1.390 6.945 -6.484 217 HB ILE 28 HB ILE 28 4.113 5.780 -5.868 218 1HG1 ILE 28 HG12 ILE 28 2.215 5.271 -8.175 219 2HG1 ILE 28 HG11 ILE 28 3.551 6.422 -8.247 220 1HG2 ILE 28 HG21 ILE 28 2.720 3.593 -6.138 221 2HG2 ILE 28 HG22 ILE 28 1.334 4.616 -5.758 222 3HG2 ILE 28 HG23 ILE 28 2.648 4.448 -4.595 223 1HD1 ILE 28 HD11 ILE 28 3.603 3.465 -8.288 224 2HD1 ILE 28 HD12 ILE 28 4.828 4.222 -7.270 225 3HD1 ILE 28 HD13 ILE 28 4.738 4.622 -8.986 226 H VAL 29 HN VAL 29 3.876 7.903 -4.180 227 HA VAL 29 HA VAL 29 2.846 6.742 -1.864 228 HB VAL 29 HB VAL 29 4.342 9.338 -2.264 229 1HG1 VAL 29 HG11 VAL 29 4.797 9.282 0.134 230 2HG1 VAL 29 HG12 VAL 29 3.838 7.814 0.305 231 3HG1 VAL 29 HG13 VAL 29 3.052 9.330 -0.129 232 1HG2 VAL 29 HG21 VAL 29 5.136 6.691 -2.551 233 2HG2 VAL 29 HG22 VAL 29 5.634 7.083 -0.907 234 3HG2 VAL 29 HG23 VAL 29 6.214 8.055 -2.259 235 H GLN 30 HN GLN 30 2.101 9.895 -3.341 236 HA GLN 30 HA GLN 30 0.257 10.731 -1.367 237 1HB GLN 30 HB2 GLN 30 0.391 11.409 -4.315 238 2HB GLN 30 HB1 GLN 30 -0.669 12.211 -3.157 239 1HG GLN 30 HG2 GLN 30 2.354 12.108 -3.040 240 2HG GLN 30 HG1 GLN 30 1.371 13.516 -3.440 241 1HE2 GLN 30 HE21 GLN 30 3.112 12.298 -0.923 242 2HE2 GLN 30 HE22 GLN 30 2.215 12.916 0.378 243 H ARG 31 HN ARG 31 -0.128 8.874 -4.369 244 HA ARG 31 HA ARG 31 -2.948 8.646 -4.248 245 1HB ARG 31 HB2 ARG 31 -0.908 6.742 -5.417 246 2HB ARG 31 HB1 ARG 31 -2.648 6.640 -5.680 247 1HG ARG 31 HG2 ARG 31 -2.547 9.008 -6.582 248 2HG ARG 31 HG1 ARG 31 -0.787 8.865 -6.539 249 1HD ARG 31 HD2 ARG 31 -0.989 6.786 -7.933 250 2HD ARG 31 HD1 ARG 31 -2.713 7.109 -8.080 251 HE ARG 31 HE ARG 31 -1.095 9.347 -8.891 252 1HH1 ARG 31 HH11 ARG 31 -0.196 6.823 -10.426 253 2HH1 ARG 31 HH12 ARG 31 -1.171 6.943 -11.853 254 1HH2 ARG 31 HH21 ARG 31 -3.346 9.274 -10.480 255 2HH2 ARG 31 HH22 ARG 31 -2.960 8.334 -11.883 256 H VAL 32 HN VAL 32 -0.331 6.662 -2.935 257 HA VAL 32 HA VAL 32 -1.970 4.607 -1.892 258 HB VAL 32 HB VAL 32 0.783 5.609 -1.125 259 1HG1 VAL 32 HG11 VAL 32 -0.286 4.560 0.835 260 2HG1 VAL 32 HG12 VAL 32 0.990 3.530 0.189 261 3HG1 VAL 32 HG13 VAL 32 -0.702 3.152 -0.141 262 1HG2 VAL 32 HG21 VAL 32 -0.042 3.008 -2.431 263 2HG2 VAL 32 HG22 VAL 32 1.562 3.738 -2.378 264 3HG2 VAL 32 HG23 VAL 32 0.296 4.459 -3.372 265 H LYS 33 HN LYS 33 -0.546 7.488 -0.350 266 HA LYS 33 HA LYS 33 -1.749 7.130 2.169 267 1HB LYS 33 HB2 LYS 33 -0.739 9.590 0.752 268 2HB LYS 33 HB1 LYS 33 -1.293 9.585 2.424 269 1HG LYS 33 HG2 LYS 33 0.372 7.782 2.921 270 2HG LYS 33 HG1 LYS 33 0.982 7.947 1.273 271 1HD LYS 33 HD2 LYS 33 1.445 10.349 1.717 272 2HD LYS 33 HD1 LYS 33 0.927 10.113 3.386 273 1HE LYS 33 HE2 LYS 33 3.024 8.297 2.262 274 2HE LYS 33 HE1 LYS 33 3.488 9.926 2.747 275 1HZ LYS 33 HZ1 LYS 33 2.768 9.539 4.933 276 2HZ LYS 33 HZ2 LYS 33 3.644 8.148 4.502 277 3HZ LYS 33 HZ3 LYS 33 1.946 8.115 4.510 278 H ASN 34 HN ASN 34 -2.806 8.930 -0.706 279 HA ASN 34 HA ASN 34 -5.059 10.149 0.457 280 1HB ASN 34 HB2 ASN 34 -4.523 9.363 -2.414 281 2HB ASN 34 HB1 ASN 34 -5.821 10.425 -1.885 282 1HD2 ASN 34 HD21 ASN 34 -3.087 10.820 -3.441 283 2HD2 ASN 34 HD22 ASN 34 -2.431 12.194 -2.687 284 H ILE 35 HN ILE 35 -4.732 7.090 -1.334 285 HA ILE 35 HA ILE 35 -7.499 6.426 -1.213 286 HB ILE 35 HB ILE 35 -5.076 4.661 -1.594 287 1HG1 ILE 35 HG12 ILE 35 -7.062 5.700 -3.633 288 2HG1 ILE 35 HG11 ILE 35 -5.540 6.517 -3.284 289 1HG2 ILE 35 HG21 ILE 35 -6.606 3.023 -1.191 290 2HG2 ILE 35 HG22 ILE 35 -7.180 3.411 -2.813 291 3HG2 ILE 35 HG23 ILE 35 -7.974 4.115 -1.405 292 1HD1 ILE 35 HD11 ILE 35 -5.307 5.014 -5.227 293 2HD1 ILE 35 HD12 ILE 35 -5.826 3.652 -4.234 294 3HD1 ILE 35 HD13 ILE 35 -4.301 4.465 -3.885 295 H LEU 36 HN LEU 36 -4.690 5.405 0.748 296 HA LEU 36 HA LEU 36 -6.117 3.700 2.487 297 1HB LEU 36 HB2 LEU 36 -3.615 5.336 2.975 298 2HB LEU 36 HB1 LEU 36 -4.224 4.094 4.071 299 HG LEU 36 HG LEU 36 -3.495 3.626 1.166 300 1HD1 LEU 36 HD11 LEU 36 -2.046 2.825 3.706 301 2HD1 LEU 36 HD12 LEU 36 -1.531 4.111 2.614 302 3HD1 LEU 36 HD13 LEU 36 -1.548 2.436 2.059 303 1HD2 LEU 36 HD21 LEU 36 -4.891 1.861 1.520 304 2HD2 LEU 36 HD22 LEU 36 -4.839 2.051 3.272 305 3HD2 LEU 36 HD23 LEU 36 -3.536 1.203 2.438 306 H ALA 37 HN ALA 37 -5.444 7.155 2.556 307 HA ALA 37 HA ALA 37 -6.630 7.654 5.098 308 1HB ALA 37 HB1 ALA 37 -6.442 9.629 2.818 309 2HB ALA 37 HB2 ALA 37 -5.042 9.188 3.796 310 3HB ALA 37 HB3 ALA 37 -6.434 9.963 4.550 311 H ALA 38 HN ALA 38 -7.836 6.831 2.046 312 HA ALA 38 HA ALA 38 -10.402 8.152 2.356 313 1HB ALA 38 HB1 ALA 38 -10.141 6.013 0.347 314 2HB ALA 38 HB2 ALA 38 -8.987 7.337 0.174 315 3HB ALA 38 HB3 ALA 38 -10.720 7.668 0.166 316 H VAL 39 HN VAL 39 -8.957 5.103 3.142 317 HA VAL 39 HA VAL 39 -11.507 3.730 3.411 318 HB VAL 39 HB VAL 39 -9.237 2.683 2.718 319 1HG1 VAL 39 HG11 VAL 39 -7.631 2.349 4.287 320 2HG1 VAL 39 HG12 VAL 39 -8.810 1.978 5.545 321 3HG1 VAL 39 HG13 VAL 39 -8.427 3.656 5.160 322 1HG2 VAL 39 HG21 VAL 39 -10.888 1.098 2.906 323 2HG2 VAL 39 HG22 VAL 39 -11.377 1.648 4.508 324 3HG2 VAL 39 HG23 VAL 39 -9.945 0.636 4.319 325 H GLU 40 HN GLU 40 -9.674 5.847 5.268 326 HA GLU 40 HA GLU 40 -9.486 6.167 7.587 327 1HB GLU 40 HB2 GLU 40 -11.568 7.307 6.695 328 2HB GLU 40 HB1 GLU 40 -12.487 5.929 7.297 329 1HG GLU 40 HG2 GLU 40 -11.551 6.339 9.570 330 2HG GLU 40 HG1 GLU 40 -10.727 7.765 8.944 331 H ALA 41 HN ALA 41 -12.448 4.713 8.398 332 HA ALA 41 HA ALA 41 -13.038 2.740 9.433 333 1HB ALA 41 HB1 ALA 41 -11.883 0.795 8.990 334 2HB ALA 41 HB2 ALA 41 -10.306 1.580 9.096 335 3HB ALA 41 HB3 ALA 41 -11.311 1.805 7.663 336 H THR 42 HN THR 42 -12.312 1.349 11.359 337 HA THR 42 HA THR 42 -11.387 3.158 13.412 338 HB THR 42 HB THR 42 -11.921 1.345 14.948 339 HG1 THR 42 HG1 THR 42 -12.910 -0.402 13.161 340 1HG2 THR 42 HG21 THR 42 -14.317 0.888 14.095 341 2HG2 THR 42 HG22 THR 42 -13.871 1.893 12.715 342 3HG2 THR 42 HG23 THR 42 -13.846 2.569 14.344 343 H VAL 43 HN VAL 43 -9.903 0.974 11.297 344 HA VAL 43 HA VAL 43 -7.566 0.730 13.080 345 HB VAL 43 HB VAL 43 -7.012 -1.178 11.400 346 1HG1 VAL 43 HG11 VAL 43 -9.138 -1.238 13.547 347 2HG1 VAL 43 HG12 VAL 43 -7.445 -1.715 13.677 348 3HG1 VAL 43 HG13 VAL 43 -8.572 -2.714 12.757 349 1HG2 VAL 43 HG21 VAL 43 -9.191 -0.309 10.092 350 2HG2 VAL 43 HG22 VAL 43 -9.968 -1.464 11.177 351 3HG2 VAL 43 HG23 VAL 43 -8.701 -2.003 10.074 352 HA PRO 44 HA PRO 44 -6.270 3.599 9.755 353 1HB PRO 44 HB2 PRO 44 -4.232 4.530 11.560 354 2HB PRO 44 HB1 PRO 44 -5.662 5.394 10.983 355 1HG PRO 44 HG2 PRO 44 -5.193 4.396 13.569 356 2HG PRO 44 HG1 PRO 44 -6.682 5.112 12.945 357 1HD PRO 44 HD2 PRO 44 -6.117 2.320 13.550 358 2HD PRO 44 HD1 PRO 44 -7.669 3.082 13.149 359 H ILE 45 HN ILE 45 -4.374 3.618 8.476 360 HA ILE 45 HA ILE 45 -2.586 1.309 8.941 361 HB ILE 45 HB ILE 45 -3.079 2.846 6.385 362 1HG1 ILE 45 HG12 ILE 45 -4.150 0.399 5.963 363 2HG1 ILE 45 HG11 ILE 45 -4.491 0.574 7.686 364 1HG2 ILE 45 HG21 ILE 45 -1.131 1.786 5.872 365 2HG2 ILE 45 HG22 ILE 45 -2.143 0.347 5.747 366 3HG2 ILE 45 HG23 ILE 45 -1.263 0.680 7.242 367 1HD1 ILE 45 HD11 ILE 45 -6.363 1.617 6.806 368 2HD1 ILE 45 HD12 ILE 45 -5.502 2.184 5.375 369 3HD1 ILE 45 HD13 ILE 45 -5.274 2.999 6.922 370 H SER 46 HN SER 46 -0.369 1.592 8.987 371 HA SER 46 HA SER 46 0.583 4.388 8.982 372 1HB SER 46 HB2 SER 46 0.944 2.968 11.051 373 2HB SER 46 HB1 SER 46 2.018 1.962 10.082 374 HG SER 46 HG SER 46 3.483 3.468 10.189 375 H LEU 47 HN LEU 47 1.951 5.036 7.395 376 HA LEU 47 HA LEU 47 2.827 2.970 5.486 377 1HB LEU 47 HB2 LEU 47 1.476 5.279 5.015 378 2HB LEU 47 HB1 LEU 47 3.139 5.818 4.775 379 HG LEU 47 HG LEU 47 1.748 3.515 3.378 380 1HD1 LEU 47 HD11 LEU 47 1.238 5.733 2.470 381 2HD1 LEU 47 HD12 LEU 47 2.289 4.857 1.359 382 3HD1 LEU 47 HD13 LEU 47 2.959 6.114 2.395 383 1HD2 LEU 47 HD21 LEU 47 4.097 3.661 2.111 384 2HD2 LEU 47 HD22 LEU 47 3.884 2.638 3.533 385 3HD2 LEU 47 HD23 LEU 47 4.636 4.226 3.690 386 H GLN 48 HN GLN 48 4.894 2.429 5.344 387 HA GLN 48 HA GLN 48 6.921 4.332 6.349 388 1HB GLN 48 HB2 GLN 48 6.397 1.580 7.148 389 2HB GLN 48 HB1 GLN 48 8.051 1.793 6.572 390 1HG GLN 48 HG2 GLN 48 6.731 3.593 8.621 391 2HG GLN 48 HG1 GLN 48 7.774 2.235 9.031 392 1HE2 GLN 48 HE21 GLN 48 7.934 5.490 8.849 393 2HE2 GLN 48 HE22 GLN 48 9.534 5.692 8.317 394 H VAL 49 HN VAL 49 8.320 4.930 4.843 395 HA VAL 49 HA VAL 49 8.429 3.431 2.326 396 HB VAL 49 HB VAL 49 9.679 6.107 2.967 397 1HG1 VAL 49 HG11 VAL 49 10.644 5.713 0.965 398 2HG1 VAL 49 HG12 VAL 49 9.038 5.940 0.272 399 3HG1 VAL 49 HG13 VAL 49 9.610 4.318 0.658 400 1HG2 VAL 49 HG21 VAL 49 6.895 5.333 2.473 401 2HG2 VAL 49 HG22 VAL 49 7.484 6.519 1.308 402 3HG2 VAL 49 HG23 VAL 49 7.543 6.874 3.034 403 H ILE 50 HN ILE 50 10.174 2.350 1.647 404 HA ILE 50 HA ILE 50 12.585 2.461 3.344 405 HB ILE 50 HB ILE 50 11.649 0.183 1.584 406 1HG1 ILE 50 HG12 ILE 50 11.408 0.636 4.570 407 2HG1 ILE 50 HG11 ILE 50 10.078 0.549 3.423 408 1HG2 ILE 50 HG21 ILE 50 13.400 -1.071 2.636 409 2HG2 ILE 50 HG22 ILE 50 13.697 0.208 3.813 410 3HG2 ILE 50 HG23 ILE 50 14.130 0.449 2.120 411 1HD1 ILE 50 HD11 ILE 50 11.023 -1.587 4.866 412 2HD1 ILE 50 HD12 ILE 50 11.877 -1.786 3.337 413 3HD1 ILE 50 HD13 ILE 50 10.117 -1.720 3.362 414 H ASN 51 HN ASN 51 14.264 3.409 2.406 415 HA ASN 51 HA ASN 51 14.225 3.965 -0.434 416 1HB ASN 51 HB2 ASN 51 14.997 5.680 1.122 417 2HB ASN 51 HB1 ASN 51 16.267 4.611 1.707 418 1HD2 ASN 51 HD21 ASN 51 17.102 7.034 0.663 419 2HD2 ASN 51 HD22 ASN 51 17.807 6.810 -0.865 420 H VAL 52 HN VAL 52 14.660 2.266 -1.689 421 HA VAL 52 HA VAL 52 16.199 0.026 -1.062 422 HB VAL 52 HB VAL 52 16.099 -0.510 -3.400 423 1HG1 VAL 52 HG11 VAL 52 13.917 0.085 -1.849 424 2HG1 VAL 52 HG12 VAL 52 13.831 -0.695 -3.429 425 3HG1 VAL 52 HG13 VAL 52 13.597 1.049 -3.291 426 1HG2 VAL 52 HG21 VAL 52 16.765 1.268 -4.696 427 2HG2 VAL 52 HG22 VAL 52 15.990 2.454 -3.646 428 3HG2 VAL 52 HG23 VAL 52 15.027 1.540 -4.805 429 H ALA 53 HN ALA 53 17.166 3.144 -2.345 430 HA ALA 53 HA ALA 53 19.781 2.336 -3.153 431 1HB ALA 53 HB1 ALA 53 18.296 4.544 -3.619 432 2HB ALA 53 HB2 ALA 53 20.052 4.509 -3.795 433 3HB ALA 53 HB3 ALA 53 19.325 5.145 -2.320 434 H ASP 54 HN ASP 54 18.283 3.100 -0.153 435 HA ASP 54 HA ASP 54 20.851 3.564 1.156 436 1HB ASP 54 HB2 ASP 54 18.073 3.596 2.341 437 2HB ASP 54 HB1 ASP 54 19.551 4.158 3.115 438 H GLN 55 HN GLN 55 18.411 1.095 0.783 439 HA GLN 55 HA GLN 55 20.118 -0.809 2.166 440 1HB GLN 55 HB2 GLN 55 18.521 -1.487 3.820 441 2HB GLN 55 HB1 GLN 55 18.693 0.263 3.954 442 1HG GLN 55 HG2 GLN 55 16.694 0.030 2.081 443 2HG GLN 55 HG1 GLN 55 16.357 -1.333 3.147 444 1HE2 GLN 55 HE21 GLN 55 15.387 1.743 2.738 445 2HE2 GLN 55 HE22 GLN 55 15.142 2.213 4.350 446 HA PRO 56 HA PRO 56 17.727 -2.659 -1.340 447 1HB PRO 56 HB2 PRO 56 20.238 -3.653 -2.332 448 2HB PRO 56 HB1 PRO 56 19.190 -2.424 -3.060 449 1HG PRO 56 HG2 PRO 56 21.687 -1.958 -2.004 450 2HG PRO 56 HG1 PRO 56 20.437 -0.729 -2.246 451 1HD PRO 56 HD2 PRO 56 21.261 -2.107 0.277 452 2HD PRO 56 HD1 PRO 56 20.666 -0.447 0.035 453 H GLN 57 HN GLN 57 19.594 -3.761 1.210 454 HA GLN 57 HA GLN 57 20.022 -6.472 0.582 455 1HB GLN 57 HB2 GLN 57 21.091 -5.213 2.455 456 2HB GLN 57 HB1 GLN 57 19.558 -5.286 3.322 457 1HG GLN 57 HG2 GLN 57 19.622 -7.741 3.267 458 2HG GLN 57 HG1 GLN 57 21.135 -7.691 2.360 459 1HE2 GLN 57 HE21 GLN 57 22.826 -8.194 3.764 460 2HE2 GLN 57 HE22 GLN 57 22.972 -7.613 5.352 461 H LEU 58 HN LEU 58 17.281 -4.935 2.342 462 HA LEU 58 HA LEU 58 15.991 -7.482 2.637 463 1HB LEU 58 HB2 LEU 58 13.964 -5.834 3.138 464 2HB LEU 58 HB1 LEU 58 15.226 -6.160 4.322 465 HG LEU 58 HG LEU 58 16.409 -4.136 3.691 466 1HD1 LEU 58 HD11 LEU 58 14.937 -2.638 2.035 467 2HD1 LEU 58 HD12 LEU 58 14.454 -4.228 1.443 468 3HD1 LEU 58 HD13 LEU 58 16.156 -3.762 1.438 469 1HD2 LEU 58 HD21 LEU 58 13.756 -2.913 3.776 470 2HD2 LEU 58 HD22 LEU 58 15.039 -2.878 4.983 471 3HD2 LEU 58 HD23 LEU 58 13.914 -4.235 4.934 472 H VAL 59 HN VAL 59 16.115 -5.068 0.172 473 HA VAL 59 HA VAL 59 13.639 -5.492 -1.115 474 HB VAL 59 HB VAL 59 16.335 -4.776 -2.287 475 1HG1 VAL 59 HG11 VAL 59 15.268 -5.150 -4.243 476 2HG1 VAL 59 HG12 VAL 59 14.432 -3.638 -3.884 477 3HG1 VAL 59 HG13 VAL 59 13.693 -5.177 -3.465 478 1HG2 VAL 59 HG21 VAL 59 15.682 -3.123 -0.665 479 2HG2 VAL 59 HG22 VAL 59 14.020 -3.130 -1.252 480 3HG2 VAL 59 HG23 VAL 59 15.306 -2.458 -2.254 481 H GLU 60 HN GLU 60 16.824 -7.045 -1.564 482 HA GLU 60 HA GLU 60 15.832 -8.942 -3.489 483 1HB GLU 60 HB2 GLU 60 18.363 -8.900 -1.822 484 2HB GLU 60 HB1 GLU 60 18.019 -10.090 -3.078 485 1HG GLU 60 HG2 GLU 60 17.751 -8.222 -4.716 486 2HG GLU 60 HG1 GLU 60 18.230 -7.091 -3.454 487 H TYR 61 HN TYR 61 16.189 -8.805 -0.011 488 HA TYR 61 HA TYR 61 15.897 -11.506 0.660 489 1HB TYR 61 HB2 TYR 61 16.400 -9.654 2.272 490 2HB TYR 61 HB1 TYR 61 14.715 -9.143 2.135 491 HD1 TYR 61 HD1 TYR 61 12.958 -10.302 3.231 492 HD2 TYR 61 HD2 TYR 61 16.934 -11.923 3.208 493 HE1 TYR 61 HE1 TYR 61 12.279 -11.994 4.925 494 HE2 TYR 61 HE2 TYR 61 16.261 -13.610 4.902 495 HH TYR 61 HH TYR 61 12.890 -13.884 5.980 496 H TYR 62 HN TYR 62 13.497 -9.016 -0.024 497 HA TYR 62 HA TYR 62 11.262 -10.842 0.288 498 1HB TYR 62 HB2 TYR 62 11.501 -7.953 -0.573 499 2HB TYR 62 HB1 TYR 62 9.972 -8.813 -0.490 500 HD1 TYR 62 HD1 TYR 62 11.955 -6.601 1.247 501 HD2 TYR 62 HD2 TYR 62 9.826 -10.282 1.854 502 HE1 TYR 62 HE1 TYR 62 11.848 -6.136 3.684 503 HE2 TYR 62 HE2 TYR 62 9.717 -9.819 4.288 504 HH TYR 62 HH TYR 62 11.280 -6.940 5.689 505 H ARG 63 HN ARG 63 13.530 -10.880 -1.879 506 HA ARG 63 HA ARG 63 13.702 -11.490 -4.085 507 1HB ARG 63 HB2 ARG 63 10.822 -12.218 -3.524 508 2HB ARG 63 HB1 ARG 63 11.566 -12.493 -5.099 509 1HG ARG 63 HG2 ARG 63 12.534 -14.371 -4.328 510 2HG ARG 63 HG1 ARG 63 13.365 -13.441 -3.081 511 1HD ARG 63 HD2 ARG 63 12.002 -15.160 -2.021 512 2HD ARG 63 HD1 ARG 63 11.326 -13.574 -1.665 513 HE ARG 63 HE ARG 63 10.190 -15.552 -3.534 514 1HH1 ARG 63 HH11 ARG 63 9.398 -13.709 -0.915 515 2HH1 ARG 63 HH12 ARG 63 8.003 -12.947 -1.599 516 1HH2 ARG 63 HH21 ARG 63 8.640 -14.070 -4.817 517 2HH2 ARG 63 HH22 ARG 63 7.573 -13.151 -3.807 518 H LEU 64 HN LEU 64 12.062 -8.991 -2.903 519 HA LEU 64 HA LEU 64 10.720 -7.806 -5.097 520 1HB LEU 64 HB2 LEU 64 10.631 -7.253 -2.585 521 2HB LEU 64 HB1 LEU 64 12.128 -6.385 -2.833 522 HG LEU 64 HG LEU 64 10.410 -4.761 -3.008 523 1HD1 LEU 64 HD11 LEU 64 10.671 -3.908 -5.200 524 2HD1 LEU 64 HD12 LEU 64 10.884 -5.516 -5.886 525 3HD1 LEU 64 HD13 LEU 64 12.146 -4.810 -4.879 526 1HD2 LEU 64 HD21 LEU 64 8.867 -5.881 -5.201 527 2HD2 LEU 64 HD22 LEU 64 8.317 -5.248 -3.651 528 3HD2 LEU 64 HD23 LEU 64 8.839 -6.926 -3.784 529 H VAL 65 HN VAL 65 11.634 -7.040 -6.947 530 HA VAL 65 HA VAL 65 14.422 -6.062 -6.815 531 HB VAL 65 HB VAL 65 13.329 -7.680 -9.120 532 1HG1 VAL 65 HG11 VAL 65 16.139 -7.854 -8.842 533 2HG1 VAL 65 HG12 VAL 65 15.730 -6.154 -8.612 534 3HG1 VAL 65 HG13 VAL 65 15.240 -6.987 -10.087 535 1HG2 VAL 65 HG21 VAL 65 14.478 -8.526 -6.511 536 2HG2 VAL 65 HG22 VAL 65 15.131 -9.326 -7.941 537 3HG2 VAL 65 HG23 VAL 65 13.401 -9.396 -7.603 538 H VAL 66 HN VAL 66 11.225 -5.429 -7.707 539 HA VAL 66 HA VAL 66 12.100 -3.416 -9.679 540 HB VAL 66 HB VAL 66 9.693 -3.422 -10.372 541 1HG1 VAL 66 HG11 VAL 66 10.721 -6.218 -10.629 542 2HG1 VAL 66 HG12 VAL 66 11.692 -4.899 -11.282 543 3HG1 VAL 66 HG13 VAL 66 10.049 -5.156 -11.867 544 1HG2 VAL 66 HG21 VAL 66 9.076 -4.548 -8.087 545 2HG2 VAL 66 HG22 VAL 66 9.438 -6.047 -8.947 546 3HG2 VAL 66 HG23 VAL 66 8.169 -4.972 -9.540 547 H THR 67 HN THR 67 11.589 -1.313 -9.399 548 HA THR 67 HA THR 67 9.935 -0.598 -7.077 549 HB THR 67 HB THR 67 11.605 1.343 -6.744 550 HG1 THR 67 HG1 THR 67 12.723 -0.009 -8.768 551 1HG2 THR 67 HG21 THR 67 11.713 -1.474 -5.925 552 2HG2 THR 67 HG22 THR 67 11.841 -0.013 -4.944 553 3HG2 THR 67 HG23 THR 67 13.262 -0.647 -5.774 554 HA PRO 68 HA PRO 68 9.477 1.468 -6.178 555 1HB PRO 68 HB2 PRO 68 6.800 2.510 -6.386 556 2HB PRO 68 HB1 PRO 68 8.268 3.359 -5.876 557 1HG PRO 68 HG2 PRO 68 6.854 3.829 -8.205 558 2HG PRO 68 HG1 PRO 68 8.519 4.336 -7.884 559 1HD PRO 68 HD2 PRO 68 7.526 2.076 -9.547 560 2HD PRO 68 HD1 PRO 68 9.016 3.029 -9.709 561 H ALA 69 HN ALA 69 8.090 0.390 -4.612 562 HA ALA 69 HA ALA 69 6.057 -1.428 -5.681 563 1HB ALA 69 HB1 ALA 69 8.146 -2.700 -5.882 564 2HB ALA 69 HB2 ALA 69 7.130 -3.385 -4.611 565 3HB ALA 69 HB3 ALA 69 8.517 -2.382 -4.187 566 H LEU 70 HN LEU 70 4.645 -2.219 -4.070 567 HA LEU 70 HA LEU 70 4.979 -1.008 -1.396 568 1HB LEU 70 HB2 LEU 70 3.193 0.025 -2.924 569 2HB LEU 70 HB1 LEU 70 2.308 -1.480 -2.702 570 HG LEU 70 HG LEU 70 3.333 0.174 -0.394 571 1HD1 LEU 70 HD11 LEU 70 0.446 0.173 -0.865 572 2HD1 LEU 70 HD12 LEU 70 1.341 0.941 -2.175 573 3HD1 LEU 70 HD13 LEU 70 1.525 1.526 -0.524 574 1HD2 LEU 70 HD21 LEU 70 2.838 -1.843 0.562 575 2HD2 LEU 70 HD22 LEU 70 1.777 -2.327 -0.760 576 3HD2 LEU 70 HD23 LEU 70 1.191 -1.227 0.484 577 H VAL 71 HN VAL 71 4.928 -2.431 0.265 578 HA VAL 71 HA VAL 71 3.741 -5.089 -0.253 579 HB VAL 71 HB VAL 71 6.301 -4.535 1.253 580 1HG1 VAL 71 HG11 VAL 71 6.476 -6.890 1.533 581 2HG1 VAL 71 HG12 VAL 71 5.177 -7.202 0.382 582 3HG1 VAL 71 HG13 VAL 71 4.810 -6.506 1.959 583 1HG2 VAL 71 HG21 VAL 71 5.982 -4.508 -1.466 584 2HG2 VAL 71 HG22 VAL 71 6.297 -6.218 -1.182 585 3HG2 VAL 71 HG23 VAL 71 7.466 -5.010 -0.655 586 H LYS 72 HN LYS 72 2.375 -5.829 1.207 587 HA LYS 72 HA LYS 72 1.975 -4.333 3.705 588 1HB LYS 72 HB2 LYS 72 0.038 -4.955 2.164 589 2HB LYS 72 HB1 LYS 72 0.313 -6.629 2.646 590 1HG LYS 72 HG2 LYS 72 0.255 -5.562 5.088 591 2HG LYS 72 HG1 LYS 72 -0.712 -4.335 4.267 592 1HD LYS 72 HD2 LYS 72 -2.040 -6.324 3.278 593 2HD LYS 72 HD1 LYS 72 -1.262 -7.284 4.537 594 1HE LYS 72 HE2 LYS 72 -2.108 -5.241 6.056 595 2HE LYS 72 HE1 LYS 72 -3.332 -5.158 4.787 596 1HZ LYS 72 HZ1 LYS 72 -3.147 -6.987 6.903 597 2HZ LYS 72 HZ2 LYS 72 -2.957 -7.844 5.450 598 3HZ LYS 72 HZ3 LYS 72 -4.338 -6.887 5.700 599 H ILE 73 HN ILE 73 2.532 -5.168 5.665 600 HA ILE 73 HA ILE 73 3.662 -7.888 5.641 601 HB ILE 73 HB ILE 73 4.553 -6.941 7.978 602 1HG1 ILE 73 HG12 ILE 73 3.272 -4.726 7.186 603 2HG1 ILE 73 HG11 ILE 73 4.780 -4.649 8.093 604 1HG2 ILE 73 HG21 ILE 73 5.988 -7.834 6.257 605 2HG2 ILE 73 HG22 ILE 73 6.611 -6.242 6.694 606 3HG2 ILE 73 HG23 ILE 73 5.680 -6.451 5.209 607 1HD1 ILE 73 HD11 ILE 73 4.592 -3.237 5.918 608 2HD1 ILE 73 HD12 ILE 73 4.800 -4.775 5.081 609 3HD1 ILE 73 HD13 ILE 73 6.057 -4.187 6.168 610 H GLY 74 HN GLY 74 1.058 -6.000 6.938 611 1HA GLY 74 HA2 GLY 74 -0.616 -7.855 7.762 612 2HA GLY 74 HA1 GLY 74 0.576 -7.986 9.049 613 HA PRO 75 HA PRO 75 -0.840 -8.410 10.638 614 1HB PRO 75 HB2 PRO 75 -3.625 -8.218 11.336 615 2HB PRO 75 HB1 PRO 75 -2.225 -8.303 12.412 616 1HG PRO 75 HG2 PRO 75 -3.879 -6.089 11.951 617 2HG PRO 75 HG1 PRO 75 -2.358 -6.122 12.848 618 1HD PRO 75 HD2 PRO 75 -2.899 -5.009 10.198 619 2HD PRO 75 HD1 PRO 75 -1.480 -4.785 11.241 620 H GLY 76 HN GLY 76 -1.822 -10.378 9.943 621 1HA GLY 76 HA2 GLY 76 -3.422 -11.599 8.621 622 2HA GLY 76 HA1 GLY 76 -3.635 -10.160 7.625 623 H SER 77 HN SER 77 -3.243 -11.752 5.861 624 HA SER 77 HA SER 77 -0.716 -12.992 5.527 625 1HB SER 77 HB2 SER 77 -2.408 -13.916 4.222 626 2HB SER 77 HB1 SER 77 -2.990 -12.346 3.679 627 HG SER 77 HG SER 77 -0.535 -13.614 3.004 628 H ARG 78 HN ARG 78 0.874 -12.520 3.929 629 HA ARG 78 HA ARG 78 1.529 -9.666 3.820 630 1HB ARG 78 HB2 ARG 78 3.253 -11.258 4.572 631 2HB ARG 78 HB1 ARG 78 3.146 -12.104 3.029 632 1HG ARG 78 HG2 ARG 78 3.696 -9.855 1.927 633 2HG ARG 78 HG1 ARG 78 4.130 -9.291 3.541 634 1HD ARG 78 HD2 ARG 78 6.136 -10.107 2.439 635 2HD ARG 78 HD1 ARG 78 5.711 -11.220 3.735 636 HE ARG 78 HE ARG 78 4.469 -12.182 1.440 637 1HH1 ARG 78 HH11 ARG 78 7.278 -10.955 0.593 638 2HH1 ARG 78 HH12 ARG 78 8.197 -12.420 0.486 639 1HH2 ARG 78 HH21 ARG 78 5.827 -14.335 2.148 640 2HH2 ARG 78 HH22 ARG 78 7.373 -14.339 1.367 641 H GLN 79 HN GLN 79 1.835 -8.527 1.902 642 HA GLN 79 HA GLN 79 1.257 -9.942 -0.618 643 1HB GLN 79 HB2 GLN 79 -0.063 -7.368 0.267 644 2HB GLN 79 HB1 GLN 79 -0.220 -8.097 -1.330 645 1HG GLN 79 HG2 GLN 79 -0.944 -9.524 1.237 646 2HG GLN 79 HG1 GLN 79 -2.110 -8.643 0.250 647 1HE2 GLN 79 HE21 GLN 79 -0.387 -9.579 -2.206 648 2HE2 GLN 79 HE22 GLN 79 -0.944 -11.160 -2.471 649 H VAL 80 HN VAL 80 2.103 -8.970 -2.480 650 HA VAL 80 HA VAL 80 4.025 -6.774 -1.998 651 HB VAL 80 HB VAL 80 4.448 -9.161 -3.817 652 1HG1 VAL 80 HG11 VAL 80 6.873 -7.914 -3.254 653 2HG1 VAL 80 HG12 VAL 80 5.753 -6.570 -3.482 654 3HG1 VAL 80 HG13 VAL 80 5.959 -7.774 -4.756 655 1HG2 VAL 80 HG21 VAL 80 4.506 -9.428 -1.191 656 2HG2 VAL 80 HG22 VAL 80 6.053 -8.594 -1.341 657 3HG2 VAL 80 HG23 VAL 80 5.793 -10.127 -2.173 658 H LEU 81 HN LEU 81 3.462 -5.053 -3.169 659 HA LEU 81 HA LEU 81 2.129 -5.497 -5.778 660 1HB LEU 81 HB2 LEU 81 1.905 -2.966 -4.182 661 2HB LEU 81 HB1 LEU 81 0.825 -3.584 -5.427 662 HG LEU 81 HG LEU 81 1.235 -4.837 -2.696 663 1HD1 LEU 81 HD11 LEU 81 -0.021 -2.886 -2.312 664 2HD1 LEU 81 HD12 LEU 81 -1.257 -4.122 -2.539 665 3HD1 LEU 81 HD13 LEU 81 -0.864 -3.015 -3.855 666 1HD2 LEU 81 HD21 LEU 81 0.667 -6.456 -4.492 667 2HD2 LEU 81 HD22 LEU 81 -0.737 -5.476 -4.916 668 3HD2 LEU 81 HD23 LEU 81 -0.652 -6.269 -3.342 669 H SER 82 HN SER 82 3.186 -4.704 -7.539 670 HA SER 82 HA SER 82 4.942 -2.418 -7.275 671 1HB SER 82 HB2 SER 82 6.474 -4.145 -6.561 672 2HB SER 82 HB1 SER 82 6.079 -5.128 -7.965 673 HG SER 82 HG SER 82 6.722 -2.904 -9.008 674 H GLY 83 HN GLY 83 5.998 -1.862 -9.310 675 1HA GLY 83 HA2 GLY 83 6.097 -1.769 -11.659 676 2HA GLY 83 HA1 GLY 83 4.807 -2.960 -11.744 677 H ILE 84 HN ILE 84 5.148 0.282 -10.322 678 HA ILE 84 HA ILE 84 3.660 2.041 -10.226 679 HB ILE 84 HB ILE 84 3.263 3.040 -12.353 680 1HG1 ILE 84 HG12 ILE 84 3.847 0.360 -13.645 681 2HG1 ILE 84 HG11 ILE 84 2.213 0.962 -13.370 682 1HG2 ILE 84 HG21 ILE 84 5.697 2.419 -11.524 683 2HG2 ILE 84 HG22 ILE 84 5.455 3.137 -13.117 684 3HG2 ILE 84 HG23 ILE 84 5.692 1.397 -12.961 685 1HD1 ILE 84 HD11 ILE 84 4.083 2.837 -14.706 686 2HD1 ILE 84 HD12 ILE 84 2.373 2.538 -15.017 687 3HD1 ILE 84 HD13 ILE 84 3.590 1.431 -15.648 688 H ASP 85 HN ASP 85 2.482 -0.945 -10.579 689 HA ASP 85 HA ASP 85 -0.290 -0.147 -11.153 690 1HB ASP 85 HB2 ASP 85 -0.761 -2.544 -11.203 691 2HB ASP 85 HB1 ASP 85 0.603 -2.181 -12.259 692 H LEU 86 HN LEU 86 1.589 0.162 -8.667 693 HA LEU 86 HA LEU 86 0.685 -1.235 -6.485 694 1HB LEU 86 HB2 LEU 86 1.605 1.617 -6.797 695 2HB LEU 86 HB1 LEU 86 1.192 0.943 -5.223 696 HG LEU 86 HG LEU 86 2.811 -0.945 -5.717 697 1HD1 LEU 86 HD11 LEU 86 3.299 0.841 -8.096 698 2HD1 LEU 86 HD12 LEU 86 3.097 -0.913 -8.055 699 3HD1 LEU 86 HD13 LEU 86 4.588 -0.181 -7.461 700 1HD2 LEU 86 HD21 LEU 86 4.432 1.535 -5.879 701 2HD2 LEU 86 HD22 LEU 86 4.478 0.238 -4.688 702 3HD2 LEU 86 HD23 LEU 86 3.237 1.487 -4.584 703 H THR 87 HN THR 87 -0.741 1.706 -7.899 704 HA THR 87 HA THR 87 -2.794 1.939 -5.955 705 HB THR 87 HB THR 87 -3.798 3.556 -7.476 706 HG1 THR 87 HG1 THR 87 -1.936 2.487 -9.326 707 1HG2 THR 87 HG21 THR 87 -2.149 5.080 -7.145 708 2HG2 THR 87 HG22 THR 87 -0.968 4.136 -8.052 709 3HG2 THR 87 HG23 THR 87 -1.299 3.747 -6.364 710 H ASP 88 HN ASP 88 -2.720 0.405 -9.167 711 HA ASP 88 HA ASP 88 -5.492 -0.265 -9.148 712 1HB ASP 88 HB2 ASP 88 -3.148 -1.383 -10.697 713 2HB ASP 88 HB1 ASP 88 -4.824 -1.841 -10.980 714 H GLN 89 HN GLN 89 -2.517 -2.014 -8.338 715 HA GLN 89 HA GLN 89 -3.827 -4.452 -7.635 716 1HB GLN 89 HB2 GLN 89 -1.246 -3.763 -8.108 717 2HB GLN 89 HB1 GLN 89 -1.244 -3.809 -6.343 718 1HG GLN 89 HG2 GLN 89 -2.227 -6.078 -6.410 719 2HG GLN 89 HG1 GLN 89 -2.201 -6.034 -8.170 720 1HE2 GLN 89 HE21 GLN 89 0.357 -4.734 -8.491 721 2HE2 GLN 89 HE22 GLN 89 1.556 -5.817 -7.974 722 H LEU 90 HN LEU 90 -2.555 -1.695 -5.727 723 HA LEU 90 HA LEU 90 -3.215 -2.707 -3.188 724 1HB LEU 90 HB2 LEU 90 -1.777 -0.760 -3.465 725 2HB LEU 90 HB1 LEU 90 -3.123 0.165 -4.134 726 HG LEU 90 HG LEU 90 -4.365 -0.238 -1.972 727 1HD1 LEU 90 HD11 LEU 90 -3.520 -1.854 -0.639 728 2HD1 LEU 90 HD12 LEU 90 -2.247 -0.708 -0.211 729 3HD1 LEU 90 HD13 LEU 90 -1.990 -1.867 -1.515 730 1HD2 LEU 90 HD21 LEU 90 -3.204 1.513 -0.789 731 2HD2 LEU 90 HD22 LEU 90 -3.023 1.836 -2.514 732 3HD2 LEU 90 HD23 LEU 90 -1.687 1.131 -1.606 733 H ALA 91 HN ALA 91 -5.095 -0.691 -5.422 734 HA ALA 91 HA ALA 91 -7.341 -0.278 -3.808 735 1HB ALA 91 HB1 ALA 91 -6.966 -0.443 -6.791 736 2HB ALA 91 HB2 ALA 91 -7.252 0.984 -5.794 737 3HB ALA 91 HB3 ALA 91 -8.558 -0.166 -6.082 738 H ASN 92 HN ASN 92 -6.546 -2.954 -5.990 739 HA ASN 92 HA ASN 92 -9.027 -4.334 -5.445 740 1HB ASN 92 HB2 ASN 92 -6.538 -5.038 -6.995 741 2HB ASN 92 HB1 ASN 92 -7.882 -6.151 -6.790 742 1HD2 ASN 92 HD21 ASN 92 -7.401 -5.451 -9.392 743 2HD2 ASN 92 HD22 ASN 92 -8.541 -4.323 -9.947 744 H GLN 93 HN GLN 93 -5.654 -4.539 -4.481 745 HA GLN 93 HA GLN 93 -5.930 -6.991 -3.031 746 1HB GLN 93 HB2 GLN 93 -3.797 -4.859 -3.114 747 2HB GLN 93 HB1 GLN 93 -3.671 -6.305 -2.115 748 1HG GLN 93 HG2 GLN 93 -4.109 -6.319 -5.113 749 2HG GLN 93 HG1 GLN 93 -2.556 -6.575 -4.322 750 1HE2 GLN 93 HE21 GLN 93 -4.811 -8.338 -5.813 751 2HE2 GLN 93 HE22 GLN 93 -4.785 -9.745 -4.869 752 H LEU 94 HN LEU 94 -6.071 -3.571 -2.228 753 HA LEU 94 HA LEU 94 -5.857 -3.687 0.529 754 1HB LEU 94 HB2 LEU 94 -5.893 -1.553 -0.412 755 2HB LEU 94 HB1 LEU 94 -7.363 -1.860 -1.318 756 HG LEU 94 HG LEU 94 -8.644 -1.956 0.806 757 1HD1 LEU 94 HD11 LEU 94 -7.436 -1.144 2.874 758 2HD1 LEU 94 HD12 LEU 94 -5.922 -1.336 1.991 759 3HD1 LEU 94 HD13 LEU 94 -6.933 -2.742 2.325 760 1HD2 LEU 94 HD21 LEU 94 -8.619 0.409 1.239 761 2HD2 LEU 94 HD22 LEU 94 -8.209 0.213 -0.465 762 3HD2 LEU 94 HD23 LEU 94 -6.942 0.550 0.715 763 HA PRO 95 HA PRO 95 -10.757 -4.263 0.785 764 1HB PRO 95 HB2 PRO 95 -11.400 -5.858 -1.520 765 2HB PRO 95 HB1 PRO 95 -12.040 -4.266 -1.085 766 1HG PRO 95 HG2 PRO 95 -9.989 -4.979 -3.030 767 2HG PRO 95 HG1 PRO 95 -10.929 -3.488 -2.872 768 1HD PRO 95 HD2 PRO 95 -8.248 -3.658 -2.296 769 2HD PRO 95 HD1 PRO 95 -9.350 -2.476 -1.554 770 H GLN 96 HN GLN 96 -8.783 -6.622 -1.022 771 HA GLN 96 HA GLN 96 -9.838 -8.967 0.118 772 1HB GLN 96 HB2 GLN 96 -7.054 -8.424 -0.941 773 2HB GLN 96 HB1 GLN 96 -7.700 -10.026 -0.579 774 1HG GLN 96 HG2 GLN 96 -9.575 -9.548 -2.191 775 2HG GLN 96 HG1 GLN 96 -8.735 -8.063 -2.637 776 1HE2 GLN 96 HE21 GLN 96 -9.156 -11.147 -3.716 777 2HE2 GLN 96 HE22 GLN 96 -7.664 -11.394 -4.486 778 H TRP 97 HN TRP 97 -7.375 -6.732 1.223 779 HA TRP 97 HA TRP 97 -6.286 -8.341 3.274 780 1HB TRP 97 HB2 TRP 97 -6.494 -5.326 3.151 781 2HB TRP 97 HB1 TRP 97 -5.391 -6.254 4.171 782 HD1 TRP 97 HD1 TRP 97 -5.459 -8.229 1.223 783 HE1 TRP 97 HE1 TRP 97 -3.558 -7.640 -0.422 784 HE3 TRP 97 HE3 TRP 97 -4.051 -3.700 3.101 785 HZ2 TRP 97 HZ2 TRP 97 -1.686 -5.519 -0.873 786 HZ3 TRP 97 HZ3 TRP 97 -2.214 -2.416 2.051 787 HH2 TRP 97 HH2 TRP 97 -1.027 -3.318 0.068 788 H LEU 98 HN LEU 98 -8.964 -6.001 3.261 789 HA LEU 98 HA LEU 98 -9.526 -6.179 6.036 790 1HB LEU 98 HB2 LEU 98 -11.367 -5.498 3.730 791 2HB LEU 98 HB1 LEU 98 -11.682 -5.172 5.430 792 HG LEU 98 HG LEU 98 -9.360 -4.055 3.836 793 1HD1 LEU 98 HD11 LEU 98 -11.767 -3.188 3.409 794 2HD1 LEU 98 HD12 LEU 98 -10.523 -1.998 3.788 795 3HD1 LEU 98 HD13 LEU 98 -11.660 -2.511 5.034 796 1HD2 LEU 98 HD21 LEU 98 -8.526 -4.057 5.990 797 2HD2 LEU 98 HD22 LEU 98 -10.131 -4.050 6.721 798 3HD2 LEU 98 HD23 LEU 98 -9.457 -2.561 6.059 799 H VAL 99 HN VAL 99 -10.577 -7.944 3.191 800 HA VAL 99 HA VAL 99 -12.632 -9.463 4.416 801 HB VAL 99 HB VAL 99 -10.952 -9.946 1.955 802 1HG1 VAL 99 HG11 VAL 99 -13.073 -11.442 1.470 803 2HG1 VAL 99 HG12 VAL 99 -13.170 -11.509 3.231 804 3HG1 VAL 99 HG13 VAL 99 -11.724 -12.085 2.404 805 1HG2 VAL 99 HG21 VAL 99 -13.275 -8.310 2.607 806 2HG2 VAL 99 HG22 VAL 99 -13.633 -9.455 1.313 807 3HG2 VAL 99 HG23 VAL 99 -12.293 -8.321 1.141 808 H GLN 100 HN GLN 100 -9.242 -10.232 3.678 809 HA GLN 100 HA GLN 100 -7.800 -11.777 4.584 810 1HB GLN 100 HB2 GLN 100 -9.827 -11.824 6.835 811 2HB GLN 100 HB1 GLN 100 -8.180 -12.451 6.911 812 1HG GLN 100 HG2 GLN 100 -7.307 -10.193 6.411 813 2HG GLN 100 HG1 GLN 100 -8.957 -9.575 6.370 814 1HE2 GLN 100 HE21 GLN 100 -9.656 -8.698 8.315 815 2HE2 GLN 100 HE22 GLN 100 -9.043 -9.107 9.845 816 H GLN 101 HN GLN 101 -9.740 -12.720 2.712 817 HA GLN 101 HA GLN 101 -9.747 -15.535 3.493 818 1HB GLN 101 HB2 GLN 101 -12.282 -14.169 2.549 819 2HB GLN 101 HB1 GLN 101 -12.087 -15.881 2.916 820 1HG GLN 101 HG2 GLN 101 -11.537 -15.330 5.253 821 2HG GLN 101 HG1 GLN 101 -11.718 -13.615 4.895 822 1HE2 GLN 101 HE21 GLN 101 -13.341 -14.947 6.867 823 2HE2 GLN 101 HE22 GLN 101 -14.945 -14.943 6.307 824 H GLU 102 HN GLU 102 -11.768 -14.325 0.938 825 HA GLU 102 HA GLU 102 -11.703 -15.132 -1.279 826 1HB GLU 102 HB2 GLU 102 -9.459 -13.129 -0.973 827 2HB GLU 102 HB1 GLU 102 -10.095 -13.663 -2.528 828 1HG GLU 102 HG2 GLU 102 -11.728 -12.361 -0.333 829 2HG GLU 102 HG1 GLU 102 -11.160 -11.557 -1.796 830 H GLY 103 HN GLY 103 -9.168 -14.966 -2.837 831 1HA GLY 103 HA2 GLY 103 -7.453 -16.342 -3.520 832 2HA GLY 103 HA1 GLY 103 -7.320 -16.887 -1.848 833 H ILE 104 HN ILE 104 -7.745 -18.029 -4.824 834 HA ILE 104 HA ILE 104 -9.781 -20.027 -4.089 835 HB ILE 104 HB ILE 104 -8.548 -19.463 -6.796 836 1HG1 ILE 104 HG12 ILE 104 -11.254 -18.658 -5.672 837 2HG1 ILE 104 HG11 ILE 104 -9.892 -17.559 -5.895 838 1HG2 ILE 104 HG21 ILE 104 -10.840 -20.683 -7.351 839 2HG2 ILE 104 HG22 ILE 104 -10.622 -21.345 -5.732 840 3HG2 ILE 104 HG23 ILE 104 -9.395 -21.619 -6.969 841 1HD1 ILE 104 HD11 ILE 104 -9.878 -18.175 -8.331 842 2HD1 ILE 104 HD12 ILE 104 -11.351 -17.351 -7.820 843 3HD1 ILE 104 HD13 ILE 104 -11.355 -19.099 -8.055 844 H PHE 105 HN PHE 105 -9.281 -22.133 -3.849 845 HA PHE 105 HA PHE 105 -6.888 -23.085 -3.060 846 1HB PHE 105 HB2 PHE 105 -9.097 -24.342 -3.204 847 2HB PHE 105 HB1 PHE 105 -8.664 -24.724 -4.870 848 HD1 PHE 105 HD1 PHE 105 -7.784 -25.209 -1.325 849 HD2 PHE 105 HD2 PHE 105 -6.839 -26.259 -5.381 850 HE1 PHE 105 HE1 PHE 105 -6.358 -27.065 -0.509 851 HE2 PHE 105 HE2 PHE 105 -5.410 -28.116 -4.565 852 HZ PHE 105 HZ PHE 105 -5.171 -28.519 -2.129 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -20.290 -4.474 37.786 2 2H GLY 1 HT2 GLY 1 -20.640 -4.332 39.443 3 3H GLY 1 HT3 GLY 1 -19.175 -5.029 38.938 4 1HA GLY 1 HA2 GLY 1 -19.729 -2.309 38.037 5 2HA GLY 1 HA1 GLY 1 -19.322 -2.532 39.740 6 H SER 2 HN SER 2 -17.221 -2.500 40.217 7 HA SER 2 HA SER 2 -14.943 -2.284 39.846 8 1HB SER 2 HB2 SER 2 -15.015 -4.824 38.299 9 2HB SER 2 HB1 SER 2 -13.990 -4.359 39.652 10 HG SER 2 HG SER 2 -15.752 -4.660 41.025 11 H SER 3 HN SER 3 -16.907 -1.546 37.524 12 HA SER 3 HA SER 3 -16.762 -1.106 35.227 13 1HB SER 3 HB2 SER 3 -15.261 0.715 34.873 14 2HB SER 3 HB1 SER 3 -15.788 0.826 36.551 15 HG SER 3 HG SER 3 -13.750 0.713 37.023 16 H LEU 4 HN LEU 4 -15.490 -3.672 35.982 17 HA LEU 4 HA LEU 4 -13.128 -3.792 34.265 18 1HB LEU 4 HB2 LEU 4 -13.151 -4.996 36.426 19 2HB LEU 4 HB1 LEU 4 -14.507 -5.969 35.856 20 HG LEU 4 HG LEU 4 -13.038 -6.644 33.889 21 1HD1 LEU 4 HD11 LEU 4 -11.327 -4.710 35.134 22 2HD1 LEU 4 HD12 LEU 4 -11.044 -5.627 33.654 23 3HD1 LEU 4 HD13 LEU 4 -10.533 -6.283 35.209 24 1HD2 LEU 4 HD21 LEU 4 -11.868 -7.428 36.564 25 2HD2 LEU 4 HD22 LEU 4 -12.042 -8.422 35.118 26 3HD2 LEU 4 HD23 LEU 4 -13.467 -7.969 36.055 27 H SER 5 HN SER 5 -13.390 -4.037 32.152 28 HA SER 5 HA SER 5 -14.932 -6.172 31.046 29 1HB SER 5 HB2 SER 5 -16.634 -4.285 31.602 30 2HB SER 5 HB1 SER 5 -15.925 -3.457 30.220 31 HG SER 5 HG SER 5 -17.272 -5.939 30.330 32 HA PRO 6 HA PRO 6 -11.236 -4.361 28.758 33 1HB PRO 6 HB2 PRO 6 -10.493 -7.076 28.170 34 2HB PRO 6 HB1 PRO 6 -9.635 -5.896 29.170 35 1HG PRO 6 HG2 PRO 6 -11.185 -8.167 29.989 36 2HG PRO 6 HG1 PRO 6 -10.205 -7.076 30.973 37 1HD PRO 6 HD2 PRO 6 -13.027 -7.238 30.941 38 2HD PRO 6 HD1 PRO 6 -12.048 -5.982 31.726 39 H GLN 7 HN GLN 7 -11.262 -4.001 26.585 40 HA GLN 7 HA GLN 7 -13.363 -5.327 25.032 41 1HB GLN 7 HB2 GLN 7 -13.108 -2.808 25.119 42 2HB GLN 7 HB1 GLN 7 -11.621 -3.006 24.193 43 1HG GLN 7 HG2 GLN 7 -12.918 -4.210 22.437 44 2HG GLN 7 HG1 GLN 7 -14.394 -3.887 23.345 45 1HE2 GLN 7 HE21 GLN 7 -15.350 -1.815 23.116 46 2HE2 GLN 7 HE22 GLN 7 -14.669 -0.566 22.189 47 H ALA 8 HN ALA 8 -10.191 -4.094 24.047 48 HA ALA 8 HA ALA 8 -8.416 -5.785 23.493 49 1HB ALA 8 HB1 ALA 8 -9.853 -7.710 23.215 50 2HB ALA 8 HB2 ALA 8 -9.051 -7.393 21.680 51 3HB ALA 8 HB3 ALA 8 -10.731 -6.918 21.904 52 H LEU 9 HN LEU 9 -7.330 -4.092 22.618 53 HA LEU 9 HA LEU 9 -8.368 -2.707 20.280 54 1HB LEU 9 HB2 LEU 9 -6.143 -1.462 20.510 55 2HB LEU 9 HB1 LEU 9 -7.290 -1.291 21.840 56 HG LEU 9 HG LEU 9 -5.606 -3.627 22.220 57 1HD1 LEU 9 HD11 LEU 9 -3.830 -2.572 21.084 58 2HD1 LEU 9 HD12 LEU 9 -3.560 -2.125 22.768 59 3HD1 LEU 9 HD13 LEU 9 -4.296 -0.971 21.657 60 1HD2 LEU 9 HD21 LEU 9 -5.239 -2.540 24.402 61 2HD2 LEU 9 HD22 LEU 9 -6.947 -2.486 23.965 62 3HD2 LEU 9 HD23 LEU 9 -5.945 -1.046 23.785 63 H ALA 10 HN ALA 10 -8.013 -3.364 18.274 64 HA ALA 10 HA ALA 10 -6.227 -5.495 17.631 65 1HB ALA 10 HB1 ALA 10 -8.106 -5.326 16.221 66 2HB ALA 10 HB2 ALA 10 -6.775 -4.730 15.230 67 3HB ALA 10 HB3 ALA 10 -7.887 -3.591 15.990 68 H GLN 11 HN GLN 11 -4.416 -5.358 16.139 69 HA GLN 11 HA GLN 11 -2.725 -3.084 16.767 70 1HB GLN 11 HB2 GLN 11 -2.217 -5.647 15.248 71 2HB GLN 11 HB1 GLN 11 -0.990 -4.410 15.533 72 1HG GLN 11 HG2 GLN 11 -1.225 -4.661 17.938 73 2HG GLN 11 HG1 GLN 11 -2.566 -5.787 17.723 74 1HE2 GLN 11 HE21 GLN 11 0.225 -5.899 15.565 75 2HE2 GLN 11 HE22 GLN 11 0.853 -7.358 16.162 76 HA PRO 12 HA PRO 12 -3.651 -0.825 13.061 77 1HB PRO 12 HB2 PRO 12 -0.975 0.196 12.851 78 2HB PRO 12 HB1 PRO 12 -2.420 1.033 13.434 79 1HG PRO 12 HG2 PRO 12 -0.208 -0.019 14.935 80 2HG PRO 12 HG1 PRO 12 -1.568 0.961 15.493 81 1HD PRO 12 HD2 PRO 12 -1.126 -1.765 16.063 82 2HD PRO 12 HD1 PRO 12 -2.612 -0.850 16.379 83 H LEU 13 HN LEU 13 -3.033 -0.777 10.787 84 HA LEU 13 HA LEU 13 -1.803 -3.261 9.947 85 1HB LEU 13 HB2 LEU 13 -3.885 -2.216 8.899 86 2HB LEU 13 HB1 LEU 13 -2.792 -1.050 8.159 87 HG LEU 13 HG LEU 13 -2.492 -4.050 7.875 88 1HD1 LEU 13 HD11 LEU 13 -4.139 -2.062 6.432 89 2HD1 LEU 13 HD12 LEU 13 -4.339 -3.810 6.558 90 3HD1 LEU 13 HD13 LEU 13 -3.183 -3.136 5.408 91 1HD2 LEU 13 HD21 LEU 13 -0.989 -1.659 6.971 92 2HD2 LEU 13 HD22 LEU 13 -1.241 -2.905 5.754 93 3HD2 LEU 13 HD23 LEU 13 -0.418 -3.300 7.262 94 H LEU 14 HN LEU 14 0.254 -3.497 9.311 95 HA LEU 14 HA LEU 14 1.893 -1.083 9.125 96 1HB LEU 14 HB2 LEU 14 2.683 -4.000 9.231 97 2HB LEU 14 HB1 LEU 14 3.771 -2.621 9.344 98 HG LEU 14 HG LEU 14 1.607 -3.427 11.294 99 1HD1 LEU 14 HD11 LEU 14 3.320 -4.371 12.396 100 2HD1 LEU 14 HD12 LEU 14 4.114 -2.800 12.497 101 3HD1 LEU 14 HD13 LEU 14 4.433 -3.864 11.127 102 1HD2 LEU 14 HD21 LEU 14 1.370 -1.082 11.230 103 2HD2 LEU 14 HD22 LEU 14 3.094 -0.825 10.946 104 3HD2 LEU 14 HD23 LEU 14 2.528 -1.331 12.539 105 H LEU 15 HN LEU 15 2.077 -0.216 7.232 106 HA LEU 15 HA LEU 15 2.265 -1.948 4.844 107 1HB LEU 15 HB2 LEU 15 0.151 -0.515 5.175 108 2HB LEU 15 HB1 LEU 15 1.191 0.877 4.894 109 HG LEU 15 HG LEU 15 0.044 0.120 2.829 110 1HD1 LEU 15 HD11 LEU 15 2.587 0.968 3.092 111 2HD1 LEU 15 HD12 LEU 15 1.855 0.617 1.532 112 3HD1 LEU 15 HD13 LEU 15 2.879 -0.586 2.313 113 1HD2 LEU 15 HD21 LEU 15 1.783 -2.276 2.613 114 2HD2 LEU 15 HD22 LEU 15 0.122 -2.034 2.066 115 3HD2 LEU 15 HD23 LEU 15 0.448 -2.401 3.758 116 H GLN 16 HN GLN 16 4.043 -1.654 3.569 117 HA GLN 16 HA GLN 16 5.655 0.765 4.080 118 1HB GLN 16 HB2 GLN 16 6.544 -2.096 3.976 119 2HB GLN 16 HB1 GLN 16 7.656 -0.795 3.544 120 1HG GLN 16 HG2 GLN 16 7.317 0.276 5.699 121 2HG GLN 16 HG1 GLN 16 6.098 -0.922 6.139 122 1HE2 GLN 16 HE21 GLN 16 8.560 -0.465 7.643 123 2HE2 GLN 16 HE22 GLN 16 9.472 -1.894 7.555 124 H LEU 17 HN LEU 17 6.894 1.545 2.370 125 HA LEU 17 HA LEU 17 6.268 0.443 -0.285 126 1HB LEU 17 HB2 LEU 17 4.787 2.362 0.120 127 2HB LEU 17 HB1 LEU 17 6.185 3.364 0.504 128 HG LEU 17 HG LEU 17 7.055 2.729 -1.842 129 1HD1 LEU 17 HD11 LEU 17 4.884 1.043 -1.845 130 2HD1 LEU 17 HD12 LEU 17 5.720 1.596 -3.292 131 3HD1 LEU 17 HD13 LEU 17 4.266 2.427 -2.741 132 1HD2 LEU 17 HD21 LEU 17 5.700 4.520 -2.880 133 2HD2 LEU 17 HD22 LEU 17 6.200 4.961 -1.248 134 3HD2 LEU 17 HD23 LEU 17 4.547 4.417 -1.547 135 H PHE 18 HN PHE 18 8.029 0.132 -1.498 136 HA PHE 18 HA PHE 18 10.579 1.243 -0.557 137 1HB PHE 18 HB2 PHE 18 9.838 -0.983 -2.448 138 2HB PHE 18 HB1 PHE 18 11.479 -0.344 -2.373 139 HD1 PHE 18 HD1 PHE 18 8.746 -1.561 -0.117 140 HD2 PHE 18 HD2 PHE 18 12.970 -1.238 -0.815 141 HE1 PHE 18 HE1 PHE 18 9.185 -2.922 1.908 142 HE2 PHE 18 HE2 PHE 18 13.417 -2.605 1.209 143 HZ PHE 18 HZ PHE 18 11.514 -3.436 2.571 144 H VAL 19 HN VAL 19 11.317 3.043 -1.441 145 HA VAL 19 HA VAL 19 10.720 3.559 -4.288 146 HB VAL 19 HB VAL 19 10.176 5.844 -3.822 147 1HG1 VAL 19 HG11 VAL 19 8.204 5.564 -2.337 148 2HG1 VAL 19 HG12 VAL 19 8.845 4.013 -1.797 149 3HG1 VAL 19 HG13 VAL 19 8.349 4.225 -3.477 150 1HG2 VAL 19 HG21 VAL 19 10.191 6.686 -1.463 151 2HG2 VAL 19 HG22 VAL 19 11.801 6.275 -2.053 152 3HG2 VAL 19 HG23 VAL 19 10.955 5.176 -0.965 153 H ASP 20 HN ASP 20 12.177 4.958 -5.359 154 HA ASP 20 HA ASP 20 14.894 4.897 -4.230 155 1HB ASP 20 HB2 ASP 20 15.665 5.209 -6.509 156 2HB ASP 20 HB1 ASP 20 14.498 3.889 -6.481 157 H THR 21 HN THR 21 12.536 6.840 -3.792 158 HA THR 21 HA THR 21 12.432 9.043 -3.129 159 HB THR 21 HB THR 21 14.361 10.361 -2.952 160 HG1 THR 21 HG1 THR 21 15.318 10.529 -4.824 161 1HG2 THR 21 HG21 THR 21 15.842 7.790 -3.015 162 2HG2 THR 21 HG22 THR 21 14.405 7.841 -1.994 163 3HG2 THR 21 HG23 THR 21 15.719 8.987 -1.727 164 H ARG 22 HN ARG 22 12.325 7.870 -6.117 165 HA ARG 22 HA ARG 22 12.552 10.256 -7.699 166 1HB ARG 22 HB2 ARG 22 11.581 8.931 -9.502 167 2HB ARG 22 HB1 ARG 22 12.832 8.002 -8.680 168 1HG ARG 22 HG2 ARG 22 10.901 7.060 -7.233 169 2HG ARG 22 HG1 ARG 22 9.836 7.702 -8.483 170 1HD ARG 22 HD2 ARG 22 12.036 6.254 -9.689 171 2HD ARG 22 HD1 ARG 22 11.201 5.236 -8.521 172 HE ARG 22 HE ARG 22 9.106 6.097 -9.835 173 1HH1 ARG 22 HH21 ARG 22 10.235 3.537 -10.835 174 2HH1 ARG 22 HH22 ARG 22 10.536 3.870 -12.508 175 1HH2 ARG 22 HH11 ARG 22 10.362 7.312 -12.133 176 2HH2 ARG 22 HH12 ARG 22 10.611 6.006 -13.242 177 HA PRO 23 HA PRO 23 8.786 12.319 -6.807 178 1HB PRO 23 HB2 PRO 23 8.107 12.808 -9.554 179 2HB PRO 23 HB1 PRO 23 8.824 13.930 -8.388 180 1HG PRO 23 HG2 PRO 23 10.073 12.476 -10.557 181 2HG PRO 23 HG1 PRO 23 10.698 13.827 -9.603 182 1HD PRO 23 HD2 PRO 23 11.623 11.211 -9.437 183 2HD PRO 23 HD1 PRO 23 11.840 12.443 -8.176 184 H LEU 24 HN LEU 24 8.725 9.966 -9.476 185 HA LEU 24 HA LEU 24 5.969 9.593 -9.706 186 1HB LEU 24 HB2 LEU 24 7.633 8.574 -11.224 187 2HB LEU 24 HB1 LEU 24 8.125 7.478 -9.934 188 HG LEU 24 HG LEU 24 5.645 6.793 -9.809 189 1HD1 LEU 24 HD11 LEU 24 5.730 8.365 -12.386 190 2HD1 LEU 24 HD12 LEU 24 4.570 8.493 -11.065 191 3HD1 LEU 24 HD13 LEU 24 4.549 7.083 -12.123 192 1HD2 LEU 24 HD21 LEU 24 5.987 5.094 -11.446 193 2HD2 LEU 24 HD22 LEU 24 7.598 5.518 -10.869 194 3HD2 LEU 24 HD23 LEU 24 7.025 6.137 -12.417 195 H SER 25 HN SER 25 8.290 8.070 -7.483 196 HA SER 25 HA SER 25 6.459 6.321 -6.228 197 1HB SER 25 HB2 SER 25 8.930 7.607 -5.043 198 2HB SER 25 HB1 SER 25 8.106 6.174 -4.440 199 HG SER 25 HG SER 25 9.509 5.233 -5.722 200 H GLN 26 HN GLN 26 7.546 9.619 -5.458 201 HA GLN 26 HA GLN 26 5.947 9.939 -3.130 202 1HB GLN 26 HB2 GLN 26 7.006 11.992 -5.098 203 2HB GLN 26 HB1 GLN 26 6.271 12.380 -3.540 204 1HG GLN 26 HG2 GLN 26 8.768 10.716 -3.976 205 2HG GLN 26 HG1 GLN 26 8.709 12.351 -3.320 206 1HE2 GLN 26 HE21 GLN 26 9.521 9.622 -2.083 207 2HE2 GLN 26 HE22 GLN 26 8.634 9.566 -0.637 208 H HIS 27 HN HIS 27 5.467 10.301 -6.544 209 HA HIS 27 HA HIS 27 2.959 11.611 -6.598 210 1HB HIS 27 HB2 HIS 27 4.764 10.897 -8.442 211 2HB HIS 27 HB1 HIS 27 3.674 9.526 -8.612 212 HD1 HIS 27 HD1 HIS 27 1.014 11.196 -8.050 213 HD2 HIS 27 HD2 HIS 27 4.012 12.171 -10.780 214 HE1 HIS 27 HE1 HIS 27 -0.068 12.688 -9.792 215 H ILE 28 HN ILE 28 3.816 8.196 -7.018 216 HA ILE 28 HA ILE 28 1.185 7.185 -6.870 217 HB ILE 28 HB ILE 28 3.863 5.861 -6.381 218 1HG1 ILE 28 HG12 ILE 28 1.997 5.907 -8.778 219 2HG1 ILE 28 HG11 ILE 28 3.512 6.800 -8.645 220 1HG2 ILE 28 HG21 ILE 28 2.581 4.192 -5.514 221 2HG2 ILE 28 HG22 ILE 28 2.108 3.900 -7.187 222 3HG2 ILE 28 HG23 ILE 28 1.087 4.886 -6.141 223 1HD1 ILE 28 HD11 ILE 28 4.453 4.371 -8.059 224 2HD1 ILE 28 HD12 ILE 28 4.294 4.921 -9.728 225 3HD1 ILE 28 HD13 ILE 28 3.063 3.873 -9.022 226 H VAL 29 HN VAL 29 3.607 7.944 -4.448 227 HA VAL 29 HA VAL 29 2.559 6.540 -2.263 228 HB VAL 29 HB VAL 29 4.020 9.180 -2.423 229 1HG1 VAL 29 HG11 VAL 29 4.377 8.480 0.128 230 2HG1 VAL 29 HG12 VAL 29 2.792 7.745 -0.106 231 3HG1 VAL 29 HG13 VAL 29 3.008 9.476 -0.364 232 1HG2 VAL 29 HG21 VAL 29 5.891 7.903 -2.338 233 2HG2 VAL 29 HG22 VAL 29 4.846 6.532 -2.705 234 3HG2 VAL 29 HG23 VAL 29 5.238 6.918 -1.030 235 H GLN 30 HN GLN 30 1.754 9.753 -3.549 236 HA GLN 30 HA GLN 30 -0.164 10.427 -1.588 237 1HB GLN 30 HB2 GLN 30 -0.068 11.217 -4.516 238 2HB GLN 30 HB1 GLN 30 -1.083 11.977 -3.292 239 1HG GLN 30 HG2 GLN 30 1.937 11.966 -3.446 240 2HG GLN 30 HG1 GLN 30 0.855 13.356 -3.492 241 1HE2 GLN 30 HE21 GLN 30 3.070 12.354 -1.498 242 2HE2 GLN 30 HE22 GLN 30 2.314 12.526 0.012 243 H ARG 31 HN ARG 31 -0.374 8.667 -4.657 244 HA ARG 31 HA ARG 31 -3.182 8.279 -4.604 245 1HB ARG 31 HB2 ARG 31 -0.980 6.629 -5.860 246 2HB ARG 31 HB1 ARG 31 -2.702 6.336 -6.115 247 1HG ARG 31 HG2 ARG 31 -2.913 8.724 -6.895 248 2HG ARG 31 HG1 ARG 31 -1.154 8.843 -6.824 249 1HD ARG 31 HD2 ARG 31 -1.002 6.898 -8.376 250 2HD ARG 31 HD1 ARG 31 -2.757 6.904 -8.507 251 HE ARG 31 HE ARG 31 -0.937 8.717 -9.810 252 1HH1 ARG 31 HH11 ARG 31 -4.168 7.934 -8.932 253 2HH1 ARG 31 HH12 ARG 31 -4.874 9.299 -9.732 254 1HH2 ARG 31 HH21 ARG 31 -1.826 10.662 -10.667 255 2HH2 ARG 31 HH22 ARG 31 -3.548 10.839 -10.719 256 H VAL 32 HN VAL 32 -0.462 6.432 -3.279 257 HA VAL 32 HA VAL 32 -1.985 4.237 -2.306 258 HB VAL 32 HB VAL 32 0.644 5.417 -1.354 259 1HG1 VAL 32 HG11 VAL 32 0.613 2.770 -0.637 260 2HG1 VAL 32 HG12 VAL 32 -1.057 3.236 -0.340 261 3HG1 VAL 32 HG13 VAL 32 0.256 4.102 0.457 262 1HG2 VAL 32 HG21 VAL 32 1.679 3.989 -2.846 263 2HG2 VAL 32 HG22 VAL 32 0.194 4.300 -3.743 264 3HG2 VAL 32 HG23 VAL 32 0.363 2.817 -2.802 265 H LYS 33 HN LYS 33 -0.732 7.160 -0.683 266 HA LYS 33 HA LYS 33 -2.019 6.723 1.784 267 1HB LYS 33 HB2 LYS 33 -1.005 9.230 0.454 268 2HB LYS 33 HB1 LYS 33 -1.636 9.190 2.097 269 1HG LYS 33 HG2 LYS 33 0.041 7.383 2.618 270 2HG LYS 33 HG1 LYS 33 0.744 7.658 1.023 271 1HD LYS 33 HD2 LYS 33 1.107 10.040 1.619 272 2HD LYS 33 HD1 LYS 33 0.471 9.716 3.231 273 1HE LYS 33 HE2 LYS 33 2.281 7.871 3.358 274 2HE LYS 33 HE1 LYS 33 3.015 8.689 1.978 275 1HZ LYS 33 HZ1 LYS 33 3.514 10.522 3.207 276 2HZ LYS 33 HZ2 LYS 33 3.607 9.350 4.434 277 3HZ LYS 33 HZ3 LYS 33 2.217 10.312 4.279 278 H ASN 34 HN ASN 34 -3.004 8.537 -1.102 279 HA ASN 34 HA ASN 34 -5.316 9.724 -0.048 280 1HB ASN 34 HB2 ASN 34 -4.632 8.871 -2.866 281 2HB ASN 34 HB1 ASN 34 -6.029 9.852 -2.447 282 1HD2 ASN 34 HD21 ASN 34 -3.572 10.620 -4.046 283 2HD2 ASN 34 HD22 ASN 34 -2.926 11.969 -3.239 284 H ILE 35 HN ILE 35 -4.872 6.603 -1.692 285 HA ILE 35 HA ILE 35 -7.635 5.900 -1.643 286 HB ILE 35 HB ILE 35 -5.157 4.198 -1.906 287 1HG1 ILE 35 HG12 ILE 35 -7.151 5.093 -4.005 288 2HG1 ILE 35 HG11 ILE 35 -5.656 5.962 -3.672 289 1HG2 ILE 35 HG21 ILE 35 -8.083 3.539 -2.346 290 2HG2 ILE 35 HG22 ILE 35 -7.022 2.831 -1.129 291 3HG2 ILE 35 HG23 ILE 35 -6.742 2.506 -2.839 292 1HD1 ILE 35 HD11 ILE 35 -4.518 3.633 -4.000 293 2HD1 ILE 35 HD12 ILE 35 -5.032 4.535 -5.426 294 3HD1 ILE 35 HD13 ILE 35 -6.019 3.205 -4.820 295 H LEU 36 HN LEU 36 -4.868 4.964 0.413 296 HA LEU 36 HA LEU 36 -6.313 3.299 2.168 297 1HB LEU 36 HB2 LEU 36 -3.886 5.013 2.775 298 2HB LEU 36 HB1 LEU 36 -4.450 3.646 3.735 299 HG LEU 36 HG LEU 36 -3.797 3.319 0.808 300 1HD1 LEU 36 HD11 LEU 36 -1.551 2.464 1.650 301 2HD1 LEU 36 HD12 LEU 36 -1.924 3.243 3.187 302 3HD1 LEU 36 HD13 LEU 36 -1.763 4.214 1.724 303 1HD2 LEU 36 HD21 LEU 36 -3.550 1.003 1.406 304 2HD2 LEU 36 HD22 LEU 36 -5.063 1.553 2.120 305 3HD2 LEU 36 HD23 LEU 36 -3.627 1.374 3.127 306 H ALA 37 HN ALA 37 -5.703 6.771 2.160 307 HA ALA 37 HA ALA 37 -6.961 7.283 4.671 308 1HB ALA 37 HB1 ALA 37 -5.526 9.001 4.028 309 2HB ALA 37 HB2 ALA 37 -7.099 9.670 3.595 310 3HB ALA 37 HB3 ALA 37 -6.068 8.964 2.350 311 H ALA 38 HN ALA 38 -8.099 6.449 1.590 312 HA ALA 38 HA ALA 38 -10.621 7.859 1.776 313 1HB ALA 38 HB1 ALA 38 -10.241 5.565 -0.089 314 2HB ALA 38 HB2 ALA 38 -9.263 7.010 -0.346 315 3HB ALA 38 HB3 ALA 38 -11.022 7.123 -0.364 316 H VAL 39 HN VAL 39 -9.344 4.842 2.853 317 HA VAL 39 HA VAL 39 -11.975 3.613 3.109 318 HB VAL 39 HB VAL 39 -10.044 2.220 2.463 319 1HG1 VAL 39 HG11 VAL 39 -8.088 2.763 3.468 320 2HG1 VAL 39 HG12 VAL 39 -8.663 1.786 4.818 321 3HG1 VAL 39 HG13 VAL 39 -8.904 3.532 4.829 322 1HG2 VAL 39 HG21 VAL 39 -10.874 0.429 3.610 323 2HG2 VAL 39 HG22 VAL 39 -12.035 1.601 4.233 324 3HG2 VAL 39 HG23 VAL 39 -10.605 1.189 5.179 325 H GLU 40 HN GLU 40 -10.126 5.771 4.867 326 HA GLU 40 HA GLU 40 -9.973 6.297 7.132 327 1HB GLU 40 HB2 GLU 40 -12.942 5.992 6.632 328 2HB GLU 40 HB1 GLU 40 -12.247 6.797 8.040 329 1HG GLU 40 HG2 GLU 40 -11.048 8.359 6.527 330 2HG GLU 40 HG1 GLU 40 -11.818 7.586 5.144 331 H ALA 41 HN ALA 41 -12.868 4.300 7.453 332 HA ALA 41 HA ALA 41 -13.372 2.625 8.949 333 1HB ALA 41 HB1 ALA 41 -12.351 1.077 7.561 334 2HB ALA 41 HB2 ALA 41 -11.413 0.859 9.039 335 3HB ALA 41 HB3 ALA 41 -10.763 1.828 7.716 336 H THR 42 HN THR 42 -12.778 1.580 11.019 337 HA THR 42 HA THR 42 -11.582 3.511 12.793 338 HB THR 42 HB THR 42 -12.184 1.898 14.564 339 HG1 THR 42 HG1 THR 42 -12.598 -0.094 14.074 340 1HG2 THR 42 HG21 THR 42 -13.848 3.469 13.191 341 2HG2 THR 42 HG22 THR 42 -14.434 2.382 14.450 342 3HG2 THR 42 HG23 THR 42 -14.556 1.916 12.754 343 H VAL 43 HN VAL 43 -10.297 1.150 10.839 344 HA VAL 43 HA VAL 43 -7.991 0.752 12.639 345 HB VAL 43 HB VAL 43 -7.611 -1.262 11.039 346 1HG1 VAL 43 HG11 VAL 43 -9.427 -0.908 13.349 347 2HG1 VAL 43 HG12 VAL 43 -8.089 -2.037 13.138 348 3HG1 VAL 43 HG13 VAL 43 -9.665 -2.396 12.433 349 1HG2 VAL 43 HG21 VAL 43 -9.677 -2.161 10.077 350 2HG2 VAL 43 HG22 VAL 43 -9.366 -0.551 9.429 351 3HG2 VAL 43 HG23 VAL 43 -10.581 -0.774 10.687 352 HA PRO 44 HA PRO 44 -6.578 3.364 9.119 353 1HB PRO 44 HB2 PRO 44 -4.647 4.489 10.931 354 2HB PRO 44 HB1 PRO 44 -6.043 5.277 10.183 355 1HG PRO 44 HG2 PRO 44 -5.732 4.574 12.883 356 2HG PRO 44 HG1 PRO 44 -7.190 5.179 12.092 357 1HD PRO 44 HD2 PRO 44 -6.599 2.475 13.019 358 2HD PRO 44 HD1 PRO 44 -8.147 3.161 12.487 359 H ILE 45 HN ILE 45 -4.600 3.320 7.962 360 HA ILE 45 HA ILE 45 -2.850 1.067 8.711 361 HB ILE 45 HB ILE 45 -3.106 2.432 6.026 362 1HG1 ILE 45 HG12 ILE 45 -4.215 -0.013 5.685 363 2HG1 ILE 45 HG11 ILE 45 -4.687 0.294 7.357 364 1HG2 ILE 45 HG21 ILE 45 -2.228 -0.250 5.844 365 2HG2 ILE 45 HG22 ILE 45 -1.299 0.478 7.158 366 3HG2 ILE 45 HG23 ILE 45 -1.273 1.203 5.549 367 1HD1 ILE 45 HD11 ILE 45 -5.524 2.567 6.583 368 2HD1 ILE 45 HD12 ILE 45 -6.440 1.185 5.982 369 3HD1 ILE 45 HD13 ILE 45 -5.284 2.001 4.930 370 H SER 46 HN SER 46 -0.642 1.307 8.834 371 HA SER 46 HA SER 46 0.339 4.088 8.907 372 1HB SER 46 HB2 SER 46 0.618 2.617 10.940 373 2HB SER 46 HB1 SER 46 1.683 1.595 9.977 374 HG SER 46 HG SER 46 2.836 3.187 11.156 375 H LEU 47 HN LEU 47 1.316 4.732 7.081 376 HA LEU 47 HA LEU 47 2.599 2.706 5.383 377 1HB LEU 47 HB2 LEU 47 0.854 4.498 4.592 378 2HB LEU 47 HB1 LEU 47 2.246 5.576 4.592 379 HG LEU 47 HG LEU 47 1.812 3.077 2.953 380 1HD1 LEU 47 HD11 LEU 47 1.063 5.318 2.117 381 2HD1 LEU 47 HD12 LEU 47 2.299 4.572 1.102 382 3HD1 LEU 47 HD13 LEU 47 2.737 5.868 2.215 383 1HD2 LEU 47 HD21 LEU 47 4.055 2.795 3.799 384 2HD2 LEU 47 HD22 LEU 47 4.419 4.505 3.560 385 3HD2 LEU 47 HD23 LEU 47 4.199 3.445 2.168 386 H GLN 48 HN GLN 48 4.724 2.452 5.571 387 HA GLN 48 HA GLN 48 6.376 4.782 6.295 388 1HB GLN 48 HB2 GLN 48 6.632 1.863 7.005 389 2HB GLN 48 HB1 GLN 48 7.973 2.989 7.156 390 1HG GLN 48 HG2 GLN 48 6.632 4.410 8.647 391 2HG GLN 48 HG1 GLN 48 5.263 3.316 8.467 392 1HE2 GLN 48 HE21 GLN 48 6.208 3.740 11.049 393 2HE2 GLN 48 HE22 GLN 48 7.028 2.361 11.602 394 H VAL 49 HN VAL 49 8.066 5.257 4.963 395 HA VAL 49 HA VAL 49 8.256 3.671 2.498 396 HB VAL 49 HB VAL 49 9.465 6.386 3.038 397 1HG1 VAL 49 HG11 VAL 49 8.831 6.057 0.339 398 2HG1 VAL 49 HG12 VAL 49 9.477 4.491 0.827 399 3HG1 VAL 49 HG13 VAL 49 10.441 5.950 1.055 400 1HG2 VAL 49 HG21 VAL 49 6.825 5.699 1.702 401 2HG2 VAL 49 HG22 VAL 49 7.499 7.316 1.911 402 3HG2 VAL 49 HG23 VAL 49 6.979 6.388 3.318 403 H ILE 50 HN ILE 50 10.043 2.639 1.867 404 HA ILE 50 HA ILE 50 12.431 2.862 3.594 405 HB ILE 50 HB ILE 50 11.554 0.456 1.976 406 1HG1 ILE 50 HG12 ILE 50 11.197 1.183 4.889 407 2HG1 ILE 50 HG11 ILE 50 9.964 0.670 3.739 408 1HG2 ILE 50 HG21 ILE 50 14.053 1.019 2.685 409 2HG2 ILE 50 HG22 ILE 50 13.425 -0.624 2.814 410 3HG2 ILE 50 HG23 ILE 50 13.506 0.404 4.245 411 1HD1 ILE 50 HD11 ILE 50 10.263 -1.395 4.632 412 2HD1 ILE 50 HD12 ILE 50 11.817 -0.961 5.345 413 3HD1 ILE 50 HD13 ILE 50 11.729 -1.438 3.650 414 H ASN 51 HN ASN 51 14.189 3.627 2.581 415 HA ASN 51 HA ASN 51 14.041 4.115 -0.266 416 1HB ASN 51 HB2 ASN 51 15.062 5.684 1.502 417 2HB ASN 51 HB1 ASN 51 16.449 4.599 1.486 418 1HD2 ASN 51 HD21 ASN 51 15.167 4.453 -1.597 419 2HD2 ASN 51 HD22 ASN 51 16.108 5.658 -2.335 420 H VAL 52 HN VAL 52 14.447 2.460 -1.600 421 HA VAL 52 HA VAL 52 15.725 0.076 -0.979 422 HB VAL 52 HB VAL 52 16.015 -0.166 -3.469 423 1HG1 VAL 52 HG11 VAL 52 13.455 0.562 -2.093 424 2HG1 VAL 52 HG12 VAL 52 13.963 -0.990 -2.759 425 3HG1 VAL 52 HG13 VAL 52 13.425 0.299 -3.838 426 1HG2 VAL 52 HG21 VAL 52 14.616 2.516 -3.584 427 2HG2 VAL 52 HG22 VAL 52 15.288 1.586 -4.923 428 3HG2 VAL 52 HG23 VAL 52 16.363 2.360 -3.760 429 H ALA 53 HN ALA 53 17.083 3.156 -1.772 430 HA ALA 53 HA ALA 53 19.685 2.199 -2.499 431 1HB ALA 53 HB1 ALA 53 19.804 4.316 -3.225 432 2HB ALA 53 HB2 ALA 53 19.867 4.858 -1.548 433 3HB ALA 53 HB3 ALA 53 18.315 4.723 -2.374 434 H ASP 54 HN ASP 54 18.026 2.413 0.447 435 HA ASP 54 HA ASP 54 20.455 2.846 2.006 436 1HB ASP 54 HB2 ASP 54 17.553 2.582 2.792 437 2HB ASP 54 HB1 ASP 54 18.868 2.726 3.958 438 H GLN 55 HN GLN 55 17.887 0.368 1.682 439 HA GLN 55 HA GLN 55 19.874 -1.595 2.616 440 1HB GLN 55 HB2 GLN 55 18.354 -2.572 4.139 441 2HB GLN 55 HB1 GLN 55 18.231 -0.833 4.397 442 1HG GLN 55 HG2 GLN 55 16.252 -2.708 3.192 443 2HG GLN 55 HG1 GLN 55 15.993 -1.347 4.276 444 1HE2 GLN 55 HE21 GLN 55 15.319 -2.258 1.196 445 2HE2 GLN 55 HE22 GLN 55 15.347 -0.746 0.427 446 HA PRO 56 HA PRO 56 17.902 -3.039 -1.294 447 1HB PRO 56 HB2 PRO 56 20.522 -3.859 -2.154 448 2HB PRO 56 HB1 PRO 56 19.502 -2.579 -2.826 449 1HG PRO 56 HG2 PRO 56 21.882 -2.219 -1.450 450 2HG PRO 56 HG1 PRO 56 20.668 -0.976 -1.774 451 1HD PRO 56 HD2 PRO 56 21.238 -2.424 0.751 452 2HD PRO 56 HD1 PRO 56 20.498 -0.827 0.506 453 H GLN 57 HN GLN 57 19.642 -4.363 1.259 454 HA GLN 57 HA GLN 57 19.979 -7.044 0.360 455 1HB GLN 57 HB2 GLN 57 21.317 -6.316 2.185 456 2HB GLN 57 HB1 GLN 57 19.904 -5.791 3.101 457 1HG GLN 57 HG2 GLN 57 19.126 -8.094 3.309 458 2HG GLN 57 HG1 GLN 57 20.464 -8.660 2.300 459 1HE2 GLN 57 HE21 GLN 57 20.528 -9.883 4.668 460 2HE2 GLN 57 HE22 GLN 57 21.649 -9.189 5.738 461 H LEU 58 HN LEU 58 17.472 -5.504 2.415 462 HA LEU 58 HA LEU 58 16.033 -7.960 2.696 463 1HB LEU 58 HB2 LEU 58 14.617 -6.788 4.070 464 2HB LEU 58 HB1 LEU 58 16.023 -5.731 4.138 465 HG LEU 58 HG LEU 58 14.915 -4.577 2.053 466 1HD1 LEU 58 HD11 LEU 58 12.754 -5.093 1.583 467 2HD1 LEU 58 HD12 LEU 58 12.335 -5.279 3.288 468 3HD1 LEU 58 HD13 LEU 58 13.103 -6.603 2.426 469 1HD2 LEU 58 HD21 LEU 58 14.103 -2.942 3.493 470 2HD2 LEU 58 HD22 LEU 58 15.091 -3.859 4.628 471 3HD2 LEU 58 HD23 LEU 58 13.349 -4.117 4.567 472 H VAL 59 HN VAL 59 16.106 -5.375 0.392 473 HA VAL 59 HA VAL 59 13.600 -5.777 -0.871 474 HB VAL 59 HB VAL 59 16.211 -4.818 -2.071 475 1HG1 VAL 59 HG11 VAL 59 14.834 -3.762 -3.738 476 2HG1 VAL 59 HG12 VAL 59 13.361 -4.207 -2.875 477 3HG1 VAL 59 HG13 VAL 59 14.342 -5.451 -3.647 478 1HG2 VAL 59 HG21 VAL 59 13.952 -3.197 -0.869 479 2HG2 VAL 59 HG22 VAL 59 15.516 -2.601 -1.426 480 3HG2 VAL 59 HG23 VAL 59 15.418 -3.615 0.016 481 H GLU 60 HN GLU 60 16.842 -7.122 -1.501 482 HA GLU 60 HA GLU 60 16.015 -8.762 -3.690 483 1HB GLU 60 HB2 GLU 60 18.423 -8.943 -1.860 484 2HB GLU 60 HB1 GLU 60 18.197 -9.915 -3.316 485 1HG GLU 60 HG2 GLU 60 18.013 -7.832 -4.652 486 2HG GLU 60 HG1 GLU 60 18.315 -6.888 -3.197 487 H TYR 61 HN TYR 61 16.070 -9.165 -0.209 488 HA TYR 61 HA TYR 61 15.881 -11.940 0.004 489 1HB TYR 61 HB2 TYR 61 16.082 -10.433 1.952 490 2HB TYR 61 HB1 TYR 61 14.434 -9.868 1.674 491 HD1 TYR 61 HD1 TYR 61 16.508 -12.773 2.648 492 HD2 TYR 61 HD2 TYR 61 12.521 -11.237 2.213 493 HE1 TYR 61 HE1 TYR 61 15.623 -14.709 3.921 494 HE2 TYR 61 HE2 TYR 61 11.636 -13.173 3.485 495 HH TYR 61 HH TYR 61 13.819 -15.701 4.739 496 H TYR 62 HN TYR 62 13.386 -9.521 -0.609 497 HA TYR 62 HA TYR 62 11.278 -11.504 -0.853 498 1HB TYR 62 HB2 TYR 62 11.415 -8.517 -1.283 499 2HB TYR 62 HB1 TYR 62 9.970 -9.460 -1.625 500 HD1 TYR 62 HD1 TYR 62 11.594 -7.544 0.805 501 HD2 TYR 62 HD2 TYR 62 9.295 -11.144 0.362 502 HE1 TYR 62 HE1 TYR 62 10.958 -7.429 3.195 503 HE2 TYR 62 HE2 TYR 62 8.660 -11.031 2.756 504 HH TYR 62 HH TYR 62 8.750 -8.477 4.563 505 H ARG 63 HN ARG 63 13.808 -11.131 -2.670 506 HA ARG 63 HA ARG 63 14.300 -11.399 -4.900 507 1HB ARG 63 HB2 ARG 63 11.415 -12.319 -4.910 508 2HB ARG 63 HB1 ARG 63 12.474 -12.409 -6.319 509 1HG ARG 63 HG2 ARG 63 14.093 -13.741 -4.953 510 2HG ARG 63 HG1 ARG 63 12.919 -13.745 -3.637 511 1HD ARG 63 HD2 ARG 63 12.355 -14.786 -6.418 512 2HD ARG 63 HD1 ARG 63 12.833 -15.804 -5.064 513 HE ARG 63 HE ARG 63 10.730 -15.334 -4.025 514 1HH1 ARG 63 HH11 ARG 63 11.162 -13.427 -6.855 515 2HH1 ARG 63 HH12 ARG 63 9.474 -13.338 -7.232 516 1HH2 ARG 63 HH21 ARG 63 8.514 -15.431 -4.638 517 2HH2 ARG 63 HH22 ARG 63 7.974 -14.470 -5.974 518 H LEU 64 HN LEU 64 12.490 -9.134 -3.592 519 HA LEU 64 HA LEU 64 11.208 -7.774 -5.711 520 1HB LEU 64 HB2 LEU 64 10.994 -7.450 -3.155 521 2HB LEU 64 HB1 LEU 64 12.444 -6.466 -3.284 522 HG LEU 64 HG LEU 64 10.366 -5.117 -3.370 523 1HD1 LEU 64 HD11 LEU 64 11.283 -3.654 -4.856 524 2HD1 LEU 64 HD12 LEU 64 11.439 -4.872 -6.122 525 3HD1 LEU 64 HD13 LEU 64 12.618 -4.800 -4.815 526 1HD2 LEU 64 HD21 LEU 64 9.821 -6.120 -6.123 527 2HD2 LEU 64 HD22 LEU 64 8.710 -5.446 -4.931 528 3HD2 LEU 64 HD23 LEU 64 9.274 -7.110 -4.768 529 H VAL 65 HN VAL 65 12.050 -6.548 -7.319 530 HA VAL 65 HA VAL 65 14.734 -5.414 -7.018 531 HB VAL 65 HB VAL 65 13.981 -7.241 -9.307 532 1HG1 VAL 65 HG11 VAL 65 16.551 -6.891 -9.684 533 2HG1 VAL 65 HG12 VAL 65 16.308 -5.425 -8.733 534 3HG1 VAL 65 HG13 VAL 65 15.425 -5.655 -10.243 535 1HG2 VAL 65 HG21 VAL 65 14.480 -8.631 -7.447 536 2HG2 VAL 65 HG22 VAL 65 15.746 -7.548 -6.872 537 3HG2 VAL 65 HG23 VAL 65 16.006 -8.515 -8.323 538 H VAL 66 HN VAL 66 11.580 -5.036 -7.988 539 HA VAL 66 HA VAL 66 12.278 -2.990 -9.988 540 HB VAL 66 HB VAL 66 9.831 -3.172 -10.578 541 1HG1 VAL 66 HG11 VAL 66 11.694 -4.317 -11.821 542 2HG1 VAL 66 HG12 VAL 66 10.150 -5.166 -11.918 543 3HG1 VAL 66 HG13 VAL 66 11.408 -5.745 -10.825 544 1HG2 VAL 66 HG21 VAL 66 9.367 -4.300 -8.292 545 2HG2 VAL 66 HG22 VAL 66 9.915 -5.780 -9.081 546 3HG2 VAL 66 HG23 VAL 66 8.512 -4.912 -9.709 547 H THR 67 HN THR 67 11.539 -0.911 -9.740 548 HA THR 67 HA THR 67 9.935 -0.314 -7.360 549 HB THR 67 HB THR 67 11.467 1.658 -6.925 550 HG1 THR 67 HG1 THR 67 13.559 0.355 -8.098 551 1HG2 THR 67 HG21 THR 67 13.339 -0.004 -6.055 552 2HG2 THR 67 HG22 THR 67 12.176 -1.232 -6.560 553 3HG2 THR 67 HG23 THR 67 11.721 -0.029 -5.352 554 HA PRO 68 HA PRO 68 9.350 1.715 -6.418 555 1HB PRO 68 HB2 PRO 68 6.603 2.553 -6.596 556 2HB PRO 68 HB1 PRO 68 8.006 3.498 -6.076 557 1HG PRO 68 HG2 PRO 68 6.550 3.892 -8.397 558 2HG PRO 68 HG1 PRO 68 8.161 4.535 -8.061 559 1HD PRO 68 HD2 PRO 68 7.368 2.255 -9.790 560 2HD PRO 68 HD1 PRO 68 8.791 3.313 -9.898 561 H ALA 69 HN ALA 69 8.154 0.502 -4.865 562 HA ALA 69 HA ALA 69 6.186 -1.423 -5.846 563 1HB ALA 69 HB1 ALA 69 8.256 -2.628 -6.205 564 2HB ALA 69 HB2 ALA 69 7.455 -3.309 -4.787 565 3HB ALA 69 HB3 ALA 69 8.826 -2.217 -4.588 566 H LEU 70 HN LEU 70 5.076 -2.510 -4.051 567 HA LEU 70 HA LEU 70 5.417 -1.113 -1.478 568 1HB LEU 70 HB2 LEU 70 3.415 -0.400 -2.939 569 2HB LEU 70 HB1 LEU 70 2.730 -1.966 -2.516 570 HG LEU 70 HG LEU 70 3.807 -0.152 -0.370 571 1HD1 LEU 70 HD11 LEU 70 2.247 1.385 -0.838 572 2HD1 LEU 70 HD12 LEU 70 1.023 0.181 -0.434 573 3HD1 LEU 70 HD13 LEU 70 1.547 0.383 -2.106 574 1HD2 LEU 70 HD21 LEU 70 3.237 -2.102 0.685 575 2HD2 LEU 70 HD22 LEU 70 2.083 -2.572 -0.565 576 3HD2 LEU 70 HD23 LEU 70 1.635 -1.374 0.642 577 H VAL 71 HN VAL 71 5.305 -2.360 0.354 578 HA VAL 71 HA VAL 71 4.603 -5.202 -0.026 579 HB VAL 71 HB VAL 71 6.959 -4.141 1.542 580 1HG1 VAL 71 HG11 VAL 71 5.527 -6.699 1.496 581 2HG1 VAL 71 HG12 VAL 71 6.711 -6.095 2.656 582 3HG1 VAL 71 HG13 VAL 71 7.252 -6.868 1.166 583 1HG2 VAL 71 HG21 VAL 71 6.621 -5.304 -1.200 584 2HG2 VAL 71 HG22 VAL 71 8.078 -5.708 -0.292 585 3HG2 VAL 71 HG23 VAL 71 7.706 -4.023 -0.656 586 H LYS 72 HN LYS 72 3.074 -5.858 1.310 587 HA LYS 72 HA LYS 72 2.500 -4.313 3.747 588 1HB LYS 72 HB2 LYS 72 0.702 -5.071 2.023 589 2HB LYS 72 HB1 LYS 72 0.893 -6.663 2.764 590 1HG LYS 72 HG2 LYS 72 0.700 -4.761 4.881 591 2HG LYS 72 HG1 LYS 72 -0.602 -4.415 3.743 592 1HD LYS 72 HD2 LYS 72 0.007 -7.156 4.891 593 2HD LYS 72 HD1 LYS 72 -1.263 -6.082 5.474 594 1HE LYS 72 HE2 LYS 72 -1.448 -7.954 3.380 595 2HE LYS 72 HE1 LYS 72 -2.653 -6.755 3.841 596 1HZ LYS 72 HZ1 LYS 72 -2.172 -6.367 1.589 597 2HZ LYS 72 HZ2 LYS 72 -0.497 -6.491 1.828 598 3HZ LYS 72 HZ3 LYS 72 -1.348 -5.150 2.434 599 H ILE 73 HN ILE 73 3.056 -5.063 5.725 600 HA ILE 73 HA ILE 73 4.218 -7.763 5.822 601 HB ILE 73 HB ILE 73 4.901 -6.738 8.206 602 1HG1 ILE 73 HG12 ILE 73 3.578 -4.614 7.361 603 2HG1 ILE 73 HG11 ILE 73 5.100 -4.416 8.227 604 1HG2 ILE 73 HG21 ILE 73 6.540 -7.574 6.690 605 2HG2 ILE 73 HG22 ILE 73 6.991 -5.897 6.994 606 3HG2 ILE 73 HG23 ILE 73 6.174 -6.332 5.493 607 1HD1 ILE 73 HD11 ILE 73 5.202 -4.744 5.256 608 2HD1 ILE 73 HD12 ILE 73 6.269 -3.826 6.319 609 3HD1 ILE 73 HD13 ILE 73 4.677 -3.189 5.903 610 H GLY 74 HN GLY 74 1.472 -5.958 6.997 611 1HA GLY 74 HA2 GLY 74 -0.166 -7.901 7.707 612 2HA GLY 74 HA1 GLY 74 0.960 -7.990 9.051 613 HA PRO 75 HA PRO 75 -0.362 -8.442 10.684 614 1HB PRO 75 HB2 PRO 75 -3.179 -8.519 11.257 615 2HB PRO 75 HB1 PRO 75 -1.825 -8.429 12.393 616 1HG PRO 75 HG2 PRO 75 -3.676 -6.404 11.753 617 2HG PRO 75 HG1 PRO 75 -2.244 -6.278 12.779 618 1HD PRO 75 HD2 PRO 75 -2.661 -5.212 10.112 619 2HD PRO 75 HD1 PRO 75 -1.306 -4.928 11.227 620 H GLY 76 HN GLY 76 -1.176 -10.526 10.019 621 1HA GLY 76 HA2 GLY 76 -2.591 -11.899 8.643 622 2HA GLY 76 HA1 GLY 76 -2.868 -10.505 7.603 623 H SER 77 HN SER 77 -2.278 -12.099 5.900 624 HA SER 77 HA SER 77 0.387 -13.097 5.715 625 1HB SER 77 HB2 SER 77 -1.154 -14.314 4.462 626 2HB SER 77 HB1 SER 77 -1.914 -12.867 3.804 627 HG SER 77 HG SER 77 0.271 -12.521 2.827 628 H ARG 78 HN ARG 78 1.902 -12.565 4.012 629 HA ARG 78 HA ARG 78 2.309 -9.679 3.828 630 1HB ARG 78 HB2 ARG 78 4.177 -11.183 4.453 631 2HB ARG 78 HB1 ARG 78 4.046 -11.978 2.883 632 1HG ARG 78 HG2 ARG 78 4.482 -9.800 1.768 633 2HG ARG 78 HG1 ARG 78 4.683 -9.051 3.352 634 1HD ARG 78 HD2 ARG 78 6.878 -9.599 2.505 635 2HD ARG 78 HD1 ARG 78 6.512 -10.700 3.831 636 HE ARG 78 HE ARG 78 6.419 -12.461 2.292 637 1HH1 ARG 78 HH21 ARG 78 7.086 -9.424 0.809 638 2HH1 ARG 78 HH22 ARG 78 7.159 -10.061 -0.800 639 1HH2 ARG 78 HH11 ARG 78 6.289 -13.281 0.148 640 2HH2 ARG 78 HH12 ARG 78 6.709 -12.243 -1.174 641 H GLN 79 HN GLN 79 2.319 -8.509 1.932 642 HA GLN 79 HA GLN 79 1.808 -9.930 -0.591 643 1HB GLN 79 HB2 GLN 79 0.150 -7.604 0.419 644 2HB GLN 79 HB1 GLN 79 0.013 -8.347 -1.175 645 1HG GLN 79 HG2 GLN 79 -0.466 -10.539 -0.027 646 2HG GLN 79 HG1 GLN 79 -0.525 -9.663 1.501 647 1HE2 GLN 79 HE21 GLN 79 -2.492 -10.802 -0.955 648 2HE2 GLN 79 HE22 GLN 79 -3.801 -9.738 -0.763 649 H VAL 80 HN VAL 80 2.511 -8.811 -2.445 650 HA VAL 80 HA VAL 80 4.007 -6.317 -1.927 651 HB VAL 80 HB VAL 80 4.961 -8.660 -3.586 652 1HG1 VAL 80 HG11 VAL 80 7.114 -7.104 -3.325 653 2HG1 VAL 80 HG12 VAL 80 5.885 -5.844 -3.201 654 3HG1 VAL 80 HG13 VAL 80 5.960 -6.865 -4.637 655 1HG2 VAL 80 HG21 VAL 80 5.755 -9.444 -1.625 656 2HG2 VAL 80 HG22 VAL 80 5.196 -8.007 -0.768 657 3HG2 VAL 80 HG23 VAL 80 6.784 -8.015 -1.537 658 H LEU 81 HN LEU 81 3.555 -4.725 -3.291 659 HA LEU 81 HA LEU 81 2.303 -5.393 -5.888 660 1HB LEU 81 HB2 LEU 81 1.938 -2.811 -4.358 661 2HB LEU 81 HB1 LEU 81 1.030 -3.367 -5.761 662 HG LEU 81 HG LEU 81 1.038 -4.753 -3.064 663 1HD1 LEU 81 HD11 LEU 81 -1.478 -3.598 -3.960 664 2HD1 LEU 81 HD12 LEU 81 -0.230 -2.366 -3.786 665 3HD1 LEU 81 HD13 LEU 81 -0.645 -3.399 -2.419 666 1HD2 LEU 81 HD21 LEU 81 0.184 -5.553 -5.695 667 2HD2 LEU 81 HD22 LEU 81 -1.229 -5.375 -4.666 668 3HD2 LEU 81 HD23 LEU 81 0.077 -6.457 -4.188 669 H SER 82 HN SER 82 3.384 -4.674 -7.684 670 HA SER 82 HA SER 82 5.129 -2.364 -7.464 671 1HB SER 82 HB2 SER 82 6.678 -4.039 -6.725 672 2HB SER 82 HB1 SER 82 6.237 -5.106 -8.050 673 HG SER 82 HG SER 82 6.918 -2.704 -9.010 674 H GLY 83 HN GLY 83 6.216 -1.854 -9.489 675 1HA GLY 83 HA2 GLY 83 6.336 -1.811 -11.846 676 2HA GLY 83 HA1 GLY 83 4.987 -2.936 -11.918 677 H ILE 84 HN ILE 84 5.436 0.259 -10.433 678 HA ILE 84 HA ILE 84 4.030 2.087 -10.359 679 HB ILE 84 HB ILE 84 3.735 3.121 -12.506 680 1HG1 ILE 84 HG12 ILE 84 4.413 0.454 -13.781 681 2HG1 ILE 84 HG11 ILE 84 2.754 1.020 -13.584 682 1HG2 ILE 84 HG21 ILE 84 6.207 1.370 -12.586 683 2HG2 ILE 84 HG22 ILE 84 6.053 2.831 -11.611 684 3HG2 ILE 84 HG23 ILE 84 6.004 2.936 -13.371 685 1HD1 ILE 84 HD11 ILE 84 3.127 2.903 -14.999 686 2HD1 ILE 84 HD12 ILE 84 3.856 1.532 -15.833 687 3HD1 ILE 84 HD13 ILE 84 4.875 2.677 -14.960 688 H ASP 85 HN ASP 85 2.733 -0.831 -10.817 689 HA ASP 85 HA ASP 85 0.031 0.117 -11.488 690 1HB ASP 85 HB2 ASP 85 -0.555 -2.230 -11.701 691 2HB ASP 85 HB1 ASP 85 0.909 -1.917 -12.632 692 H LEU 86 HN LEU 86 1.825 0.191 -8.892 693 HA LEU 86 HA LEU 86 0.687 -1.231 -6.833 694 1HB LEU 86 HB2 LEU 86 1.554 1.661 -6.646 695 2HB LEU 86 HB1 LEU 86 1.534 0.464 -5.357 696 HG LEU 86 HG LEU 86 3.062 -0.845 -7.170 697 1HD1 LEU 86 HD11 LEU 86 4.335 1.806 -7.433 698 2HD1 LEU 86 HD12 LEU 86 2.856 1.615 -8.372 699 3HD1 LEU 86 HD13 LEU 86 4.201 0.500 -8.610 700 1HD2 LEU 86 HD21 LEU 86 4.998 0.523 -5.861 701 2HD2 LEU 86 HD22 LEU 86 4.045 -0.750 -5.100 702 3HD2 LEU 86 HD23 LEU 86 3.610 0.942 -4.857 703 H THR 87 HN THR 87 -0.488 1.771 -8.319 704 HA THR 87 HA THR 87 -2.481 2.348 -6.422 705 HB THR 87 HB THR 87 -3.432 3.808 -8.107 706 HG1 THR 87 HG1 THR 87 -3.342 2.325 -9.837 707 1HG2 THR 87 HG21 THR 87 -1.014 4.617 -9.058 708 2HG2 THR 87 HG22 THR 87 -0.509 3.615 -7.698 709 3HG2 THR 87 HG23 THR 87 -1.596 4.978 -7.435 710 H ASP 88 HN ASP 88 -2.671 0.431 -9.425 711 HA ASP 88 HA ASP 88 -5.464 -0.124 -9.110 712 1HB ASP 88 HB2 ASP 88 -3.297 -1.452 -10.754 713 2HB ASP 88 HB1 ASP 88 -5.003 -1.876 -10.840 714 H GLN 89 HN GLN 89 -2.460 -1.817 -8.405 715 HA GLN 89 HA GLN 89 -3.636 -4.199 -7.389 716 1HB GLN 89 HB2 GLN 89 -0.992 -3.040 -7.717 717 2HB GLN 89 HB1 GLN 89 -1.139 -3.897 -6.192 718 1HG GLN 89 HG2 GLN 89 -1.949 -5.893 -7.354 719 2HG GLN 89 HG1 GLN 89 -1.919 -5.032 -8.892 720 1HE2 GLN 89 HE21 GLN 89 0.602 -3.676 -8.578 721 2HE2 GLN 89 HE22 GLN 89 1.828 -4.849 -8.571 722 H LEU 90 HN LEU 90 -2.492 -1.200 -5.874 723 HA LEU 90 HA LEU 90 -2.735 -1.871 -3.179 724 1HB LEU 90 HB2 LEU 90 -1.778 0.253 -3.974 725 2HB LEU 90 HB1 LEU 90 -3.366 0.772 -4.530 726 HG LEU 90 HG LEU 90 -2.691 1.728 -2.306 727 1HD1 LEU 90 HD11 LEU 90 -4.994 -0.022 -1.638 728 2HD1 LEU 90 HD12 LEU 90 -5.153 0.950 -3.106 729 3HD1 LEU 90 HD13 LEU 90 -4.847 1.732 -1.560 730 1HD2 LEU 90 HD21 LEU 90 -1.596 -0.571 -1.715 731 2HD2 LEU 90 HD22 LEU 90 -3.213 -0.986 -1.147 732 3HD2 LEU 90 HD23 LEU 90 -2.352 0.384 -0.440 733 H ALA 91 HN ALA 91 -5.150 -0.299 -5.251 734 HA ALA 91 HA ALA 91 -7.282 -0.324 -3.431 735 1HB ALA 91 HB1 ALA 91 -7.646 1.069 -5.246 736 2HB ALA 91 HB2 ALA 91 -8.660 -0.311 -5.665 737 3HB ALA 91 HB3 ALA 91 -7.072 -0.124 -6.412 738 H ASN 92 HN ASN 92 -6.067 -2.807 -5.585 739 HA ASN 92 HA ASN 92 -8.369 -4.508 -5.377 740 1HB ASN 92 HB2 ASN 92 -5.545 -4.909 -6.353 741 2HB ASN 92 HB1 ASN 92 -6.725 -6.212 -6.316 742 1HD2 ASN 92 HD21 ASN 92 -8.635 -3.608 -6.827 743 2HD2 ASN 92 HD22 ASN 92 -8.621 -3.546 -8.523 744 H GLN 93 HN GLN 93 -5.279 -4.197 -3.739 745 HA GLN 93 HA GLN 93 -5.567 -6.597 -2.210 746 1HB GLN 93 HB2 GLN 93 -3.710 -4.230 -1.947 747 2HB GLN 93 HB1 GLN 93 -3.641 -5.656 -0.922 748 1HG GLN 93 HG2 GLN 93 -3.351 -5.651 -3.926 749 2HG GLN 93 HG1 GLN 93 -2.048 -5.861 -2.753 750 1HE2 GLN 93 HE21 GLN 93 -3.736 -7.698 -4.808 751 2HE2 GLN 93 HE22 GLN 93 -3.900 -9.118 -3.897 752 H LEU 94 HN LEU 94 -6.429 -3.233 -1.755 753 HA LEU 94 HA LEU 94 -6.645 -3.100 0.996 754 1HB LEU 94 HB2 LEU 94 -6.969 -1.097 -0.184 755 2HB LEU 94 HB1 LEU 94 -8.246 -1.778 -1.181 756 HG LEU 94 HG LEU 94 -9.730 -1.936 0.751 757 1HD1 LEU 94 HD11 LEU 94 -7.226 -1.116 2.213 758 2HD1 LEU 94 HD12 LEU 94 -8.324 -2.449 2.568 759 3HD1 LEU 94 HD13 LEU 94 -8.814 -0.788 2.905 760 1HD2 LEU 94 HD21 LEU 94 -8.693 0.789 1.227 761 2HD2 LEU 94 HD22 LEU 94 -10.290 0.274 0.683 762 3HD2 LEU 94 HD23 LEU 94 -8.960 0.396 -0.471 763 HA PRO 95 HA PRO 95 -11.317 -4.662 0.658 764 1HB PRO 95 HB2 PRO 95 -11.238 -6.648 -1.419 765 2HB PRO 95 HB1 PRO 95 -12.242 -5.192 -1.341 766 1HG PRO 95 HG2 PRO 95 -9.793 -5.684 -2.845 767 2HG PRO 95 HG1 PRO 95 -11.023 -4.435 -3.069 768 1HD PRO 95 HD2 PRO 95 -8.505 -3.920 -2.114 769 2HD PRO 95 HD1 PRO 95 -9.930 -2.929 -1.729 770 H GLN 96 HN GLN 96 -8.679 -6.749 -0.494 771 HA GLN 96 HA GLN 96 -9.410 -9.088 0.890 772 1HB GLN 96 HB2 GLN 96 -6.677 -8.133 0.010 773 2HB GLN 96 HB1 GLN 96 -7.064 -9.779 0.513 774 1HG GLN 96 HG2 GLN 96 -8.779 -9.883 -1.300 775 2HG GLN 96 HG1 GLN 96 -8.252 -8.291 -1.843 776 1HE2 GLN 96 HE21 GLN 96 -5.477 -9.650 -0.708 777 2HE2 GLN 96 HE22 GLN 96 -4.906 -10.382 -2.129 778 H TRP 97 HN TRP 97 -7.521 -6.286 1.848 779 HA TRP 97 HA TRP 97 -6.420 -7.378 4.219 780 1HB TRP 97 HB2 TRP 97 -7.076 -4.487 3.609 781 2HB TRP 97 HB1 TRP 97 -5.928 -5.073 4.816 782 HD1 TRP 97 HD1 TRP 97 -5.368 -7.446 2.289 783 HE1 TRP 97 HE1 TRP 97 -3.492 -6.780 0.645 784 HE3 TRP 97 HE3 TRP 97 -5.038 -2.453 3.313 785 HZ2 TRP 97 HZ2 TRP 97 -2.034 -4.434 -0.112 786 HZ3 TRP 97 HZ3 TRP 97 -3.405 -1.033 2.109 787 HH2 TRP 97 HH2 TRP 97 -1.903 -2.015 0.403 788 H LEU 98 HN LEU 98 -9.372 -5.481 3.625 789 HA LEU 98 HA LEU 98 -10.169 -5.531 6.389 790 1HB LEU 98 HB2 LEU 98 -11.669 -4.793 3.868 791 2HB LEU 98 HB1 LEU 98 -12.274 -4.557 5.504 792 HG LEU 98 HG LEU 98 -9.678 -3.385 4.479 793 1HD1 LEU 98 HD11 LEU 98 -11.463 -1.316 4.985 794 2HD1 LEU 98 HD12 LEU 98 -12.462 -2.530 4.184 795 3HD1 LEU 98 HD13 LEU 98 -11.012 -1.916 3.390 796 1HD2 LEU 98 HD21 LEU 98 -9.337 -3.080 6.695 797 2HD2 LEU 98 HD22 LEU 98 -10.974 -3.607 7.085 798 3HD2 LEU 98 HD23 LEU 98 -10.670 -1.926 6.646 799 H VAL 99 HN VAL 99 -10.925 -7.334 3.474 800 HA VAL 99 HA VAL 99 -13.146 -8.778 4.442 801 HB VAL 99 HB VAL 99 -11.141 -9.366 2.266 802 1HG1 VAL 99 HG11 VAL 99 -13.560 -10.897 3.205 803 2HG1 VAL 99 HG12 VAL 99 -11.962 -11.512 2.774 804 3HG1 VAL 99 HG13 VAL 99 -13.061 -10.950 1.515 805 1HG2 VAL 99 HG21 VAL 99 -13.996 -8.838 1.706 806 2HG2 VAL 99 HG22 VAL 99 -12.558 -8.214 0.899 807 3HG2 VAL 99 HG23 VAL 99 -13.115 -7.478 2.402 808 H GLN 100 HN GLN 100 -9.692 -9.602 4.394 809 HA GLN 100 HA GLN 100 -8.723 -11.641 5.147 810 1HB GLN 100 HB2 GLN 100 -9.631 -9.903 7.418 811 2HB GLN 100 HB1 GLN 100 -8.742 -11.394 7.731 812 1HG GLN 100 HG2 GLN 100 -7.801 -9.214 5.853 813 2HG GLN 100 HG1 GLN 100 -7.259 -9.383 7.521 814 1HE2 GLN 100 HE21 GLN 100 -6.233 -10.039 4.478 815 2HE2 GLN 100 HE22 GLN 100 -5.335 -11.450 4.763 816 H GLN 101 HN GLN 101 -10.079 -13.335 4.411 817 HA GLN 101 HA GLN 101 -11.977 -14.356 6.441 818 1HB GLN 101 HB2 GLN 101 -11.939 -14.701 3.437 819 2HB GLN 101 HB1 GLN 101 -12.989 -15.624 4.512 820 1HG GLN 101 HG2 GLN 101 -14.050 -13.598 5.314 821 2HG GLN 101 HG1 GLN 101 -12.912 -12.599 4.414 822 1HE2 GLN 101 HE21 GLN 101 -15.677 -12.296 3.923 823 2HE2 GLN 101 HE22 GLN 101 -16.040 -12.912 2.383 824 H GLU 102 HN GLU 102 -10.196 -15.780 3.700 825 HA GLU 102 HA GLU 102 -9.773 -18.256 5.059 826 1HB GLU 102 HB2 GLU 102 -8.532 -17.123 2.542 827 2HB GLU 102 HB1 GLU 102 -8.318 -18.781 3.105 828 1HG GLU 102 HG2 GLU 102 -10.982 -17.481 2.462 829 2HG GLU 102 HG1 GLU 102 -10.130 -18.624 1.425 830 H GLY 103 HN GLY 103 -7.828 -19.165 5.796 831 1HA GLY 103 HA2 GLY 103 -5.511 -17.400 6.115 832 2HA GLY 103 HA1 GLY 103 -6.276 -18.002 7.582 833 H ILE 104 HN ILE 104 -5.592 -19.567 4.440 834 HA ILE 104 HA ILE 104 -4.306 -21.759 5.934 835 HB ILE 104 HB ILE 104 -4.823 -23.192 4.122 836 1HG1 ILE 104 HG12 ILE 104 -5.536 -20.713 2.513 837 2HG1 ILE 104 HG11 ILE 104 -4.063 -21.661 2.310 838 1HG2 ILE 104 HG21 ILE 104 -7.234 -22.903 3.840 839 2HG2 ILE 104 HG22 ILE 104 -7.109 -21.211 4.320 840 3HG2 ILE 104 HG23 ILE 104 -6.778 -22.485 5.492 841 1HD1 ILE 104 HD11 ILE 104 -6.652 -22.143 1.178 842 2HD1 ILE 104 HD12 ILE 104 -6.247 -23.484 2.251 843 3HD1 ILE 104 HD13 ILE 104 -5.160 -23.052 0.931 844 H PHE 105 HN PHE 105 -2.233 -22.409 5.499 845 HA PHE 105 HA PHE 105 -0.004 -21.876 5.082 846 1HB PHE 105 HB2 PHE 105 -1.242 -23.076 2.972 847 2HB PHE 105 HB1 PHE 105 -0.589 -21.631 2.200 848 HD1 PHE 105 HD1 PHE 105 0.185 -24.847 3.711 849 HD2 PHE 105 HD2 PHE 105 1.868 -21.128 2.372 850 HE1 PHE 105 HE1 PHE 105 2.445 -25.870 3.707 851 HE2 PHE 105 HE2 PHE 105 4.125 -22.150 2.369 852 HZ PHE 105 HZ PHE 105 4.415 -24.521 3.034 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 3.504 -17.372 18.107 2 2H GLY 1 HT2 GLY 1 4.871 -16.756 17.310 3 3H GLY 1 HT3 GLY 1 3.567 -17.376 16.413 4 1HA GLY 1 HA2 GLY 1 3.908 -14.791 16.822 5 2HA GLY 1 HA1 GLY 1 2.314 -15.527 16.645 6 H SER 2 HN SER 2 1.180 -16.173 18.605 7 HA SER 2 HA SER 2 0.250 -15.539 20.619 8 1HB SER 2 HB2 SER 2 2.256 -17.014 21.215 9 2HB SER 2 HB1 SER 2 3.096 -15.520 21.615 10 HG SER 2 HG SER 2 0.754 -15.332 22.743 11 H SER 3 HN SER 3 0.894 -14.000 22.678 12 HA SER 3 HA SER 3 2.124 -11.510 21.989 13 1HB SER 3 HB2 SER 3 -0.812 -11.193 22.424 14 2HB SER 3 HB1 SER 3 0.317 -10.142 21.574 15 HG SER 3 HG SER 3 -0.784 -12.612 20.726 16 H LEU 4 HN LEU 4 2.488 -10.271 23.789 17 HA LEU 4 HA LEU 4 2.371 -11.460 26.317 18 1HB LEU 4 HB2 LEU 4 3.928 -9.641 25.735 19 2HB LEU 4 HB1 LEU 4 2.580 -8.514 25.628 20 HG LEU 4 HG LEU 4 3.916 -8.533 27.826 21 1HD1 LEU 4 HD11 LEU 4 1.206 -9.073 28.735 22 2HD1 LEU 4 HD12 LEU 4 1.212 -8.083 27.276 23 3HD1 LEU 4 HD13 LEU 4 2.093 -7.551 28.707 24 1HD2 LEU 4 HD21 LEU 4 3.550 -10.281 29.381 25 2HD2 LEU 4 HD22 LEU 4 3.881 -11.112 27.861 26 3HD2 LEU 4 HD23 LEU 4 2.222 -10.956 28.440 27 H SER 5 HN SER 5 0.113 -9.342 24.659 28 HA SER 5 HA SER 5 -1.727 -9.568 26.967 29 1HB SER 5 HB2 SER 5 -0.931 -7.290 25.329 30 2HB SER 5 HB1 SER 5 -2.679 -7.500 25.377 31 HG SER 5 HG SER 5 -0.877 -7.279 27.560 32 HA PRO 6 HA PRO 6 -3.637 -11.892 23.490 33 1HB PRO 6 HB2 PRO 6 -4.717 -13.702 25.453 34 2HB PRO 6 HB1 PRO 6 -3.484 -14.020 24.224 35 1HG PRO 6 HG2 PRO 6 -3.076 -13.907 26.969 36 2HG PRO 6 HG1 PRO 6 -1.826 -13.861 25.720 37 1HD PRO 6 HD2 PRO 6 -2.896 -11.653 27.378 38 2HD PRO 6 HD1 PRO 6 -1.333 -11.788 26.546 39 H GLN 7 HN GLN 7 -5.810 -11.996 22.865 40 HA GLN 7 HA GLN 7 -8.000 -11.326 22.777 41 1HB GLN 7 HB2 GLN 7 -7.800 -11.660 25.778 42 2HB GLN 7 HB1 GLN 7 -9.303 -11.423 24.888 43 1HG GLN 7 HG2 GLN 7 -8.862 -13.469 23.585 44 2HG GLN 7 HG1 GLN 7 -7.360 -13.713 24.478 45 1HE2 GLN 7 HE21 GLN 7 -9.672 -15.550 24.468 46 2HE2 GLN 7 HE22 GLN 7 -10.222 -15.637 26.071 47 H ALA 8 HN ALA 8 -6.025 -9.321 22.734 48 HA ALA 8 HA ALA 8 -7.290 -7.128 24.256 49 1HB ALA 8 HB1 ALA 8 -4.661 -7.771 24.205 50 2HB ALA 8 HB2 ALA 8 -5.250 -6.126 24.445 51 3HB ALA 8 HB3 ALA 8 -4.727 -6.651 22.844 52 H LEU 9 HN LEU 9 -6.170 -5.070 22.612 53 HA LEU 9 HA LEU 9 -8.141 -5.106 20.479 54 1HB LEU 9 HB2 LEU 9 -7.070 -2.772 20.056 55 2HB LEU 9 HB1 LEU 9 -8.033 -3.011 21.515 56 HG LEU 9 HG LEU 9 -5.207 -3.743 21.843 57 1HD1 LEU 9 HD11 LEU 9 -6.019 -1.014 20.900 58 2HD1 LEU 9 HD12 LEU 9 -4.562 -1.935 20.529 59 3HD1 LEU 9 HD13 LEU 9 -4.735 -1.155 22.102 60 1HD2 LEU 9 HD21 LEU 9 -5.564 -2.270 23.874 61 2HD2 LEU 9 HD22 LEU 9 -6.693 -3.618 23.743 62 3HD2 LEU 9 HD23 LEU 9 -7.208 -1.990 23.299 63 H ALA 10 HN ALA 10 -7.709 -5.065 18.283 64 HA ALA 10 HA ALA 10 -5.433 -6.479 17.382 65 1HB ALA 10 HB1 ALA 10 -6.271 -6.082 15.163 66 2HB ALA 10 HB2 ALA 10 -7.233 -4.711 15.714 67 3HB ALA 10 HB3 ALA 10 -7.662 -6.348 16.214 68 H GLN 11 HN GLN 11 -3.606 -5.799 16.249 69 HA GLN 11 HA GLN 11 -2.705 -3.120 16.920 70 1HB GLN 11 HB2 GLN 11 -1.250 -5.307 15.414 71 2HB GLN 11 HB1 GLN 11 -0.532 -3.868 16.137 72 1HG GLN 11 HG2 GLN 11 -2.137 -5.354 18.062 73 2HG GLN 11 HG1 GLN 11 -0.854 -6.348 17.375 74 1HE2 GLN 11 HE21 GLN 11 1.352 -4.937 17.189 75 2HE2 GLN 11 HE22 GLN 11 1.748 -4.093 18.606 76 HA PRO 12 HA PRO 12 -3.610 -1.020 13.171 77 1HB PRO 12 HB2 PRO 12 -0.946 -0.005 12.796 78 2HB PRO 12 HB1 PRO 12 -2.359 0.847 13.433 79 1HG PRO 12 HG2 PRO 12 -0.093 -0.290 14.850 80 2HG PRO 12 HG1 PRO 12 -1.313 0.858 15.414 81 1HD PRO 12 HD2 PRO 12 -1.137 -1.768 16.253 82 2HD PRO 12 HD1 PRO 12 -2.619 -0.791 16.325 83 H LEU 13 HN LEU 13 -2.970 -0.917 10.865 84 HA LEU 13 HA LEU 13 -1.894 -3.466 9.979 85 1HB LEU 13 HB2 LEU 13 -3.955 -2.278 9.008 86 2HB LEU 13 HB1 LEU 13 -2.806 -1.200 8.221 87 HG LEU 13 HG LEU 13 -2.715 -4.213 7.959 88 1HD1 LEU 13 HD11 LEU 13 -3.449 -3.047 5.517 89 2HD1 LEU 13 HD12 LEU 13 -4.451 -2.239 6.723 90 3HD1 LEU 13 HD13 LEU 13 -4.486 -3.997 6.582 91 1HD2 LEU 13 HD21 LEU 13 -1.508 -3.114 5.764 92 2HD2 LEU 13 HD22 LEU 13 -0.639 -3.621 7.212 93 3HD2 LEU 13 HD23 LEU 13 -1.094 -1.933 7.001 94 H LEU 14 HN LEU 14 0.113 -3.772 9.152 95 HA LEU 14 HA LEU 14 1.869 -1.437 9.042 96 1HB LEU 14 HB2 LEU 14 2.497 -4.393 8.958 97 2HB LEU 14 HB1 LEU 14 3.676 -3.091 9.045 98 HG LEU 14 HG LEU 14 1.608 -3.843 11.118 99 1HD1 LEU 14 HD11 LEU 14 3.410 -4.481 12.447 100 2HD1 LEU 14 HD12 LEU 14 4.543 -3.434 11.592 101 3HD1 LEU 14 HD13 LEU 14 3.994 -4.935 10.846 102 1HD2 LEU 14 HD21 LEU 14 1.535 -1.491 11.199 103 2HD2 LEU 14 HD22 LEU 14 3.236 -1.331 10.756 104 3HD2 LEU 14 HD23 LEU 14 2.794 -1.880 12.374 105 H LEU 15 HN LEU 15 1.994 -0.459 7.190 106 HA LEU 15 HA LEU 15 2.145 -2.048 4.704 107 1HB LEU 15 HB2 LEU 15 -0.002 -0.690 5.136 108 2HB LEU 15 HB1 LEU 15 1.002 0.741 4.924 109 HG LEU 15 HG LEU 15 -0.157 0.059 2.834 110 1HD1 LEU 15 HD11 LEU 15 2.710 -0.487 2.278 111 2HD1 LEU 15 HD12 LEU 15 2.332 1.015 3.121 112 3HD1 LEU 15 HD13 LEU 15 1.622 0.688 1.541 113 1HD2 LEU 15 HD21 LEU 15 0.029 -2.033 1.918 114 2HD2 LEU 15 HD22 LEU 15 0.330 -2.489 3.591 115 3HD2 LEU 15 HD23 LEU 15 1.685 -2.251 2.486 116 H GLN 16 HN GLN 16 3.932 -1.649 3.452 117 HA GLN 16 HA GLN 16 5.465 0.809 4.049 118 1HB GLN 16 HB2 GLN 16 6.494 -2.015 3.844 119 2HB GLN 16 HB1 GLN 16 7.545 -0.619 3.602 120 1HG GLN 16 HG2 GLN 16 6.998 0.238 5.806 121 2HG GLN 16 HG1 GLN 16 5.826 -1.056 6.059 122 1HE2 GLN 16 HE21 GLN 16 7.989 -0.725 7.871 123 2HE2 GLN 16 HE22 GLN 16 9.057 -2.033 7.696 124 H LEU 17 HN LEU 17 6.839 1.563 2.357 125 HA LEU 17 HA LEU 17 6.119 0.562 -0.322 126 1HB LEU 17 HB2 LEU 17 4.858 2.629 0.242 127 2HB LEU 17 HB1 LEU 17 6.394 3.465 0.458 128 HG LEU 17 HG LEU 17 6.960 2.682 -1.930 129 1HD1 LEU 17 HD11 LEU 17 5.345 1.047 -2.414 130 2HD1 LEU 17 HD12 LEU 17 4.719 2.464 -3.257 131 3HD1 LEU 17 HD13 LEU 17 4.038 1.990 -1.700 132 1HD2 LEU 17 HD21 LEU 17 4.688 4.640 -1.450 133 2HD2 LEU 17 HD22 LEU 17 5.658 4.560 -2.922 134 3HD2 LEU 17 HD23 LEU 17 6.411 5.012 -1.393 135 H PHE 18 HN PHE 18 7.786 0.213 -1.646 136 HA PHE 18 HA PHE 18 10.478 1.002 -0.750 137 1HB PHE 18 HB2 PHE 18 9.429 -1.050 -2.698 138 2HB PHE 18 HB1 PHE 18 11.125 -0.571 -2.697 139 HD1 PHE 18 HD1 PHE 18 8.507 -1.410 -0.122 140 HD2 PHE 18 HD2 PHE 18 12.534 -1.953 -1.504 141 HE1 PHE 18 HE1 PHE 18 8.950 -2.953 1.772 142 HE2 PHE 18 HE2 PHE 18 12.984 -3.496 0.390 143 HZ PHE 18 HZ PHE 18 11.188 -3.994 2.028 144 H VAL 19 HN VAL 19 11.340 2.808 -1.621 145 HA VAL 19 HA VAL 19 10.658 3.443 -4.428 146 HB VAL 19 HB VAL 19 10.274 5.732 -3.912 147 1HG1 VAL 19 HG11 VAL 19 8.990 4.084 -1.713 148 2HG1 VAL 19 HG12 VAL 19 8.427 4.119 -3.381 149 3HG1 VAL 19 HG13 VAL 19 8.365 5.583 -2.397 150 1HG2 VAL 19 HG21 VAL 19 12.042 6.090 -2.282 151 2HG2 VAL 19 HG22 VAL 19 11.252 5.011 -1.132 152 3HG2 VAL 19 HG23 VAL 19 10.508 6.555 -1.548 153 H ASP 20 HN ASP 20 12.191 4.689 -5.573 154 HA ASP 20 HA ASP 20 14.926 4.430 -4.522 155 1HB ASP 20 HB2 ASP 20 15.683 4.573 -6.786 156 2HB ASP 20 HB1 ASP 20 14.311 3.465 -6.783 157 H THR 21 HN THR 21 12.826 6.561 -3.928 158 HA THR 21 HA THR 21 12.973 8.770 -3.282 159 HB THR 21 HB THR 21 15.024 9.904 -3.289 160 HG1 THR 21 HG1 THR 21 15.384 9.769 -5.532 161 1HG2 THR 21 HG21 THR 21 16.362 8.399 -2.204 162 2HG2 THR 21 HG22 THR 21 16.255 7.210 -3.503 163 3HG2 THR 21 HG23 THR 21 14.933 7.376 -2.347 164 H ARG 22 HN ARG 22 12.611 7.585 -6.282 165 HA ARG 22 HA ARG 22 12.823 9.975 -7.861 166 1HB ARG 22 HB2 ARG 22 11.817 8.696 -9.628 167 2HB ARG 22 HB1 ARG 22 12.951 7.640 -8.788 168 1HG ARG 22 HG2 ARG 22 10.960 6.871 -7.372 169 2HG ARG 22 HG1 ARG 22 9.940 7.696 -8.550 170 1HD ARG 22 HD2 ARG 22 11.630 5.253 -8.892 171 2HD ARG 22 HD1 ARG 22 10.004 5.580 -9.484 172 HE ARG 22 HE ARG 22 12.070 7.233 -10.674 173 1HH1 ARG 22 HH11 ARG 22 9.863 4.599 -10.917 174 2HH1 ARG 22 HH12 ARG 22 10.268 4.224 -12.558 175 1HH2 ARG 22 HH21 ARG 22 12.772 6.614 -12.766 176 2HH2 ARG 22 HH22 ARG 22 11.918 5.361 -13.604 177 HA PRO 23 HA PRO 23 9.137 12.090 -6.689 178 1HB PRO 23 HB2 PRO 23 8.403 12.773 -9.376 179 2HB PRO 23 HB1 PRO 23 9.184 13.798 -8.166 180 1HG PRO 23 HG2 PRO 23 10.326 12.464 -10.462 181 2HG PRO 23 HG1 PRO 23 11.022 13.725 -9.434 182 1HD PRO 23 HD2 PRO 23 11.852 11.066 -9.488 183 2HD PRO 23 HD1 PRO 23 12.174 12.209 -8.166 184 H LEU 24 HN LEU 24 8.998 9.866 -9.450 185 HA LEU 24 HA LEU 24 6.239 9.598 -9.723 186 1HB LEU 24 HB2 LEU 24 7.920 8.560 -11.234 187 2HB LEU 24 HB1 LEU 24 8.302 7.391 -9.970 188 HG LEU 24 HG LEU 24 5.765 6.880 -9.959 189 1HD1 LEU 24 HD11 LEU 24 6.103 8.405 -12.550 190 2HD1 LEU 24 HD12 LEU 24 4.922 8.692 -11.272 191 3HD1 LEU 24 HD13 LEU 24 4.788 7.259 -12.290 192 1HD2 LEU 24 HD21 LEU 24 6.058 5.228 -11.722 193 2HD2 LEU 24 HD22 LEU 24 7.580 5.397 -10.846 194 3HD2 LEU 24 HD23 LEU 24 7.380 6.163 -12.423 195 H SER 25 HN SER 25 8.473 7.946 -7.513 196 HA SER 25 HA SER 25 6.552 6.249 -6.307 197 1HB SER 25 HB2 SER 25 9.092 7.358 -5.092 198 2HB SER 25 HB1 SER 25 8.199 5.942 -4.554 199 HG SER 25 HG SER 25 10.054 5.557 -5.975 200 H GLN 26 HN GLN 26 7.816 9.466 -5.488 201 HA GLN 26 HA GLN 26 6.301 9.832 -3.116 202 1HB GLN 26 HB2 GLN 26 7.323 11.887 -5.104 203 2HB GLN 26 HB1 GLN 26 6.727 12.247 -3.484 204 1HG GLN 26 HG2 GLN 26 9.123 10.518 -4.162 205 2HG GLN 26 HG1 GLN 26 9.172 12.137 -3.467 206 1HE2 GLN 26 HE21 GLN 26 9.813 9.193 -2.451 207 2HE2 GLN 26 HE22 GLN 26 9.117 9.195 -0.902 208 H HIS 27 HN HIS 27 5.745 10.239 -6.509 209 HA HIS 27 HA HIS 27 3.294 11.648 -6.487 210 1HB HIS 27 HB2 HIS 27 5.024 10.845 -8.386 211 2HB HIS 27 HB1 HIS 27 3.842 9.550 -8.535 212 HD1 HIS 27 HD1 HIS 27 1.330 11.406 -7.849 213 HD2 HIS 27 HD2 HIS 27 4.271 12.183 -10.702 214 HE1 HIS 27 HE1 HIS 27 0.289 12.992 -9.532 215 H ILE 28 HN ILE 28 4.056 8.203 -6.820 216 HA ILE 28 HA ILE 28 1.402 7.247 -6.650 217 HB ILE 28 HB ILE 28 4.053 5.892 -6.101 218 1HG1 ILE 28 HG12 ILE 28 2.203 5.836 -8.508 219 2HG1 ILE 28 HG11 ILE 28 3.699 6.765 -8.406 220 1HG2 ILE 28 HG21 ILE 28 2.125 4.749 -5.000 221 2HG2 ILE 28 HG22 ILE 28 2.814 3.791 -6.310 222 3HG2 ILE 28 HG23 ILE 28 1.310 4.675 -6.562 223 1HD1 ILE 28 HD11 ILE 28 3.307 3.854 -8.780 224 2HD1 ILE 28 HD12 ILE 28 4.594 4.306 -7.663 225 3HD1 ILE 28 HD13 ILE 28 4.625 4.894 -9.324 226 H VAL 29 HN VAL 29 3.841 8.032 -4.249 227 HA VAL 29 HA VAL 29 2.784 6.709 -2.027 228 HB VAL 29 HB VAL 29 4.303 9.303 -2.292 229 1HG1 VAL 29 HG11 VAL 29 4.625 8.962 0.249 230 2HG1 VAL 29 HG12 VAL 29 3.192 7.939 0.164 231 3HG1 VAL 29 HG13 VAL 29 3.087 9.641 -0.283 232 1HG2 VAL 29 HG21 VAL 29 5.125 6.727 -2.552 233 2HG2 VAL 29 HG22 VAL 29 5.314 6.935 -0.812 234 3HG2 VAL 29 HG23 VAL 29 6.160 8.009 -1.924 235 H GLN 30 HN GLN 30 2.029 9.942 -3.322 236 HA GLN 30 HA GLN 30 0.108 10.618 -1.366 237 1HB GLN 30 HB2 GLN 30 0.258 11.443 -4.278 238 2HB GLN 30 HB1 GLN 30 -0.790 12.188 -3.070 239 1HG GLN 30 HG2 GLN 30 2.236 12.107 -3.039 240 2HG GLN 30 HG1 GLN 30 1.215 13.525 -3.276 241 1HE2 GLN 30 HE21 GLN 30 3.149 12.333 -0.983 242 2HE2 GLN 30 HE22 GLN 30 2.282 12.737 0.420 243 H ARG 31 HN ARG 31 -0.119 8.900 -4.464 244 HA ARG 31 HA ARG 31 -2.928 8.578 -4.455 245 1HB ARG 31 HB2 ARG 31 -0.742 6.863 -5.649 246 2HB ARG 31 HB1 ARG 31 -2.463 6.598 -5.934 247 1HG ARG 31 HG2 ARG 31 -2.631 8.955 -6.768 248 2HG ARG 31 HG1 ARG 31 -0.878 9.088 -6.617 249 1HD ARG 31 HD2 ARG 31 -0.671 7.089 -8.121 250 2HD ARG 31 HD1 ARG 31 -2.411 7.163 -8.373 251 HE ARG 31 HE ARG 31 -1.609 9.675 -9.018 252 1HH1 ARG 31 HH21 ARG 31 -0.838 6.463 -10.027 253 2HH1 ARG 31 HH22 ARG 31 -0.161 6.950 -11.545 254 1HH2 ARG 31 HH11 ARG 31 -0.594 10.340 -10.952 255 2HH2 ARG 31 HH12 ARG 31 -0.027 9.144 -12.071 256 H VAL 32 HN VAL 32 -0.293 6.643 -3.089 257 HA VAL 32 HA VAL 32 -1.922 4.532 -2.116 258 HB VAL 32 HB VAL 32 0.796 5.568 -1.282 259 1HG1 VAL 32 HG11 VAL 32 1.000 3.480 0.029 260 2HG1 VAL 32 HG12 VAL 32 -0.680 3.089 -0.337 261 3HG1 VAL 32 HG13 VAL 32 -0.296 4.498 0.652 262 1HG2 VAL 32 HG21 VAL 32 1.603 3.609 -2.458 263 2HG2 VAL 32 HG22 VAL 32 0.501 4.470 -3.533 264 3HG2 VAL 32 HG23 VAL 32 -0.043 3.017 -2.694 265 H LYS 33 HN LYS 33 -0.585 7.443 -0.557 266 HA LYS 33 HA LYS 33 -1.773 7.074 1.963 267 1HB LYS 33 HB2 LYS 33 -0.913 9.576 0.512 268 2HB LYS 33 HB1 LYS 33 -1.411 9.537 2.200 269 1HG LYS 33 HG2 LYS 33 0.360 7.823 2.635 270 2HG LYS 33 HG1 LYS 33 0.910 8.029 0.971 271 1HD LYS 33 HD2 LYS 33 1.264 10.449 1.416 272 2HD LYS 33 HD1 LYS 33 0.795 10.185 3.095 273 1HE LYS 33 HE2 LYS 33 2.802 8.256 2.340 274 2HE LYS 33 HE1 LYS 33 3.374 9.883 1.968 275 1HZ LYS 33 HZ1 LYS 33 3.779 10.148 4.113 276 2HZ LYS 33 HZ2 LYS 33 3.107 8.633 4.484 277 3HZ LYS 33 HZ3 LYS 33 2.120 10.015 4.437 278 H ASN 34 HN ASN 34 -2.889 8.820 -0.919 279 HA ASN 34 HA ASN 34 -5.218 9.923 0.217 280 1HB ASN 34 HB2 ASN 34 -4.499 9.220 -2.631 281 2HB ASN 34 HB1 ASN 34 -5.948 10.113 -2.179 282 1HD2 ASN 34 HD21 ASN 34 -2.916 10.670 -3.333 283 2HD2 ASN 34 HD22 ASN 34 -2.594 12.181 -2.625 284 H ILE 35 HN ILE 35 -4.690 6.866 -1.522 285 HA ILE 35 HA ILE 35 -7.432 6.091 -1.526 286 HB ILE 35 HB ILE 35 -4.911 4.462 -1.817 287 1HG1 ILE 35 HG12 ILE 35 -6.932 5.336 -3.896 288 2HG1 ILE 35 HG11 ILE 35 -5.466 6.249 -3.546 289 1HG2 ILE 35 HG21 ILE 35 -7.683 3.667 -1.479 290 2HG2 ILE 35 HG22 ILE 35 -6.242 2.657 -1.588 291 3HG2 ILE 35 HG23 ILE 35 -7.072 3.169 -3.057 292 1HD1 ILE 35 HD11 ILE 35 -5.551 3.345 -4.421 293 2HD1 ILE 35 HD12 ILE 35 -4.093 4.286 -4.106 294 3HD1 ILE 35 HD13 ILE 35 -5.141 4.708 -5.462 295 H LEU 36 HN LEU 36 -4.691 5.169 0.583 296 HA LEU 36 HA LEU 36 -6.093 3.346 2.188 297 1HB LEU 36 HB2 LEU 36 -3.799 5.185 2.909 298 2HB LEU 36 HB1 LEU 36 -4.371 3.861 3.923 299 HG LEU 36 HG LEU 36 -3.395 3.543 1.071 300 1HD1 LEU 36 HD11 LEU 36 -1.339 2.784 1.936 301 2HD1 LEU 36 HD12 LEU 36 -2.000 2.568 3.557 302 3HD1 LEU 36 HD13 LEU 36 -1.704 4.193 2.934 303 1HD2 LEU 36 HD21 LEU 36 -4.663 1.768 3.080 304 2HD2 LEU 36 HD22 LEU 36 -3.268 1.093 2.240 305 3HD2 LEU 36 HD23 LEU 36 -4.665 1.655 1.321 306 H ALA 37 HN ALA 37 -5.678 6.850 2.507 307 HA ALA 37 HA ALA 37 -7.220 7.072 4.905 308 1HB ALA 37 HB1 ALA 37 -5.539 8.773 4.046 309 2HB ALA 37 HB2 ALA 37 -7.086 9.439 4.568 310 3HB ALA 37 HB3 ALA 37 -6.747 9.240 2.849 311 H ALA 38 HN ALA 38 -7.993 6.317 1.752 312 HA ALA 38 HA ALA 38 -10.578 7.631 1.664 313 1HB ALA 38 HB1 ALA 38 -10.753 6.840 -0.522 314 2HB ALA 38 HB2 ALA 38 -9.735 5.438 -0.204 315 3HB ALA 38 HB3 ALA 38 -9.011 7.040 -0.337 316 H VAL 39 HN VAL 39 -9.489 5.196 3.465 317 HA VAL 39 HA VAL 39 -12.122 3.907 3.510 318 HB VAL 39 HB VAL 39 -10.809 2.406 2.161 319 1HG1 VAL 39 HG11 VAL 39 -8.568 3.038 2.624 320 2HG1 VAL 39 HG12 VAL 39 -8.709 1.399 3.257 321 3HG1 VAL 39 HG13 VAL 39 -8.768 2.775 4.357 322 1HG2 VAL 39 HG21 VAL 39 -12.223 1.599 4.235 323 2HG2 VAL 39 HG22 VAL 39 -10.647 1.149 4.887 324 3HG2 VAL 39 HG23 VAL 39 -11.208 0.446 3.369 325 H GLU 40 HN GLU 40 -9.547 5.302 5.175 326 HA GLU 40 HA GLU 40 -8.821 5.121 7.401 327 1HB GLU 40 HB2 GLU 40 -10.633 6.822 7.262 328 2HB GLU 40 HB1 GLU 40 -11.800 5.570 7.689 329 1HG GLU 40 HG2 GLU 40 -10.509 5.149 9.788 330 2HG GLU 40 HG1 GLU 40 -9.462 6.506 9.374 331 H ALA 41 HN ALA 41 -12.056 3.926 8.045 332 HA ALA 41 HA ALA 41 -12.809 1.857 8.774 333 1HB ALA 41 HB1 ALA 41 -11.602 -0.049 8.343 334 2HB ALA 41 HB2 ALA 41 -10.075 0.674 8.850 335 3HB ALA 41 HB3 ALA 41 -10.750 1.058 7.266 336 H THR 42 HN THR 42 -12.406 0.390 10.747 337 HA THR 42 HA THR 42 -11.868 2.098 12.992 338 HB THR 42 HB THR 42 -12.526 0.207 14.344 339 HG1 THR 42 HG1 THR 42 -11.295 -1.320 13.072 340 1HG2 THR 42 HG21 THR 42 -14.455 1.177 13.437 341 2HG2 THR 42 HG22 THR 42 -14.634 -0.516 12.976 342 3HG2 THR 42 HG23 THR 42 -14.058 0.662 11.797 343 H VAL 43 HN VAL 43 -9.895 0.350 10.955 344 HA VAL 43 HA VAL 43 -7.763 0.209 12.984 345 HB VAL 43 HB VAL 43 -6.954 -1.740 11.463 346 1HG1 VAL 43 HG11 VAL 43 -7.718 -1.943 13.827 347 2HG1 VAL 43 HG12 VAL 43 -8.204 -3.329 12.852 348 3HG1 VAL 43 HG13 VAL 43 -9.379 -2.077 13.251 349 1HG2 VAL 43 HG21 VAL 43 -9.022 -1.094 9.916 350 2HG2 VAL 43 HG22 VAL 43 -9.877 -2.170 11.020 351 3HG2 VAL 43 HG23 VAL 43 -8.505 -2.772 10.089 352 HA PRO 44 HA PRO 44 -6.536 3.019 9.480 353 1HB PRO 44 HB2 PRO 44 -4.606 4.166 11.276 354 2HB PRO 44 HB1 PRO 44 -6.056 4.917 10.594 355 1HG PRO 44 HG2 PRO 44 -5.609 3.968 13.257 356 2HG PRO 44 HG1 PRO 44 -7.011 4.819 12.601 357 1HD PRO 44 HD2 PRO 44 -6.882 2.103 13.389 358 2HD PRO 44 HD1 PRO 44 -8.224 2.902 12.549 359 H ILE 45 HN ILE 45 -4.611 3.045 8.251 360 HA ILE 45 HA ILE 45 -2.762 0.846 8.905 361 HB ILE 45 HB ILE 45 -3.111 2.243 6.254 362 1HG1 ILE 45 HG12 ILE 45 -4.239 -0.205 5.928 363 2HG1 ILE 45 HG11 ILE 45 -4.688 0.121 7.604 364 1HG2 ILE 45 HG21 ILE 45 -2.256 -0.408 5.954 365 2HG2 ILE 45 HG22 ILE 45 -1.335 0.203 7.333 366 3HG2 ILE 45 HG23 ILE 45 -1.261 1.038 5.780 367 1HD1 ILE 45 HD11 ILE 45 -5.549 2.368 6.856 368 2HD1 ILE 45 HD12 ILE 45 -6.439 1.004 6.180 369 3HD1 ILE 45 HD13 ILE 45 -5.261 1.866 5.191 370 H SER 46 HN SER 46 -0.540 1.109 8.828 371 HA SER 46 HA SER 46 0.392 3.908 8.941 372 1HB SER 46 HB2 SER 46 0.841 2.553 10.955 373 2HB SER 46 HB1 SER 46 1.700 1.373 9.968 374 HG SER 46 HG SER 46 2.425 3.953 10.752 375 H LEU 47 HN LEU 47 1.542 4.650 7.264 376 HA LEU 47 HA LEU 47 2.630 2.687 5.350 377 1HB LEU 47 HB2 LEU 47 0.946 4.629 4.761 378 2HB LEU 47 HB1 LEU 47 2.408 5.612 4.755 379 HG LEU 47 HG LEU 47 1.762 3.218 3.025 380 1HD1 LEU 47 HD11 LEU 47 2.653 6.053 2.420 381 2HD1 LEU 47 HD12 LEU 47 1.004 5.443 2.271 382 3HD1 LEU 47 HD13 LEU 47 2.274 4.816 1.221 383 1HD2 LEU 47 HD21 LEU 47 4.025 2.807 3.678 384 2HD2 LEU 47 HD22 LEU 47 4.438 4.519 3.594 385 3HD2 LEU 47 HD23 LEU 47 4.127 3.613 2.116 386 H GLN 48 HN GLN 48 4.758 2.393 5.275 387 HA GLN 48 HA GLN 48 6.521 4.600 6.145 388 1HB GLN 48 HB2 GLN 48 6.366 1.838 7.100 389 2HB GLN 48 HB1 GLN 48 7.991 2.311 6.602 390 1HG GLN 48 HG2 GLN 48 7.750 4.369 8.018 391 2HG GLN 48 HG1 GLN 48 6.211 3.735 8.598 392 1HE2 GLN 48 HE21 GLN 48 9.351 3.971 9.553 393 2HE2 GLN 48 HE22 GLN 48 9.489 2.549 10.470 394 H VAL 49 HN VAL 49 8.159 5.093 4.794 395 HA VAL 49 HA VAL 49 8.340 3.557 2.292 396 HB VAL 49 HB VAL 49 9.569 6.256 2.836 397 1HG1 VAL 49 HG11 VAL 49 8.673 4.939 0.265 398 2HG1 VAL 49 HG12 VAL 49 10.332 4.885 0.870 399 3HG1 VAL 49 HG13 VAL 49 9.598 6.429 0.431 400 1HG2 VAL 49 HG21 VAL 49 7.270 6.670 3.228 401 2HG2 VAL 49 HG22 VAL 49 6.765 5.504 2.004 402 3HG2 VAL 49 HG23 VAL 49 7.478 7.042 1.517 403 H ILE 50 HN ILE 50 10.129 2.509 1.700 404 HA ILE 50 HA ILE 50 12.523 2.798 3.407 405 HB ILE 50 HB ILE 50 11.708 0.338 1.844 406 1HG1 ILE 50 HG12 ILE 50 11.257 1.056 4.755 407 2HG1 ILE 50 HG11 ILE 50 10.013 0.771 3.542 408 1HG2 ILE 50 HG21 ILE 50 13.396 -0.753 3.215 409 2HG2 ILE 50 HG22 ILE 50 13.650 0.726 4.141 410 3HG2 ILE 50 HG23 ILE 50 14.125 0.656 2.444 411 1HD1 ILE 50 HD11 ILE 50 11.317 -1.153 5.207 412 2HD1 ILE 50 HD12 ILE 50 11.764 -1.485 3.533 413 3HD1 ILE 50 HD13 ILE 50 10.063 -1.428 3.997 414 H ASN 51 HN ASN 51 14.302 3.502 2.362 415 HA ASN 51 HA ASN 51 14.117 3.949 -0.489 416 1HB ASN 51 HB2 ASN 51 15.904 4.833 1.704 417 2HB ASN 51 HB1 ASN 51 16.646 4.703 0.111 418 1HD2 ASN 51 HD21 ASN 51 16.365 7.263 1.214 419 2HD2 ASN 51 HD22 ASN 51 15.156 8.115 0.381 420 H VAL 52 HN VAL 52 14.421 2.225 -1.746 421 HA VAL 52 HA VAL 52 15.866 -0.090 -1.118 422 HB VAL 52 HB VAL 52 15.624 -0.681 -3.435 423 1HG1 VAL 52 HG11 VAL 52 13.342 -0.739 -3.413 424 2HG1 VAL 52 HG12 VAL 52 13.203 1.007 -3.213 425 3HG1 VAL 52 HG13 VAL 52 13.534 -0.017 -1.815 426 1HG2 VAL 52 HG21 VAL 52 14.935 1.013 -5.112 427 2HG2 VAL 52 HG22 VAL 52 16.504 1.402 -4.406 428 3HG2 VAL 52 HG23 VAL 52 15.060 2.268 -3.880 429 H ALA 53 HN ALA 53 16.882 2.929 -2.598 430 HA ALA 53 HA ALA 53 19.421 1.996 -3.504 431 1HB ALA 53 HB1 ALA 53 17.972 4.221 -4.001 432 2HB ALA 53 HB2 ALA 53 19.710 4.119 -4.286 433 3HB ALA 53 HB3 ALA 53 19.101 4.858 -2.804 434 H ASP 54 HN ASP 54 18.147 2.964 -0.453 435 HA ASP 54 HA ASP 54 20.801 3.464 0.644 436 1HB ASP 54 HB2 ASP 54 18.040 3.667 1.853 437 2HB ASP 54 HB1 ASP 54 19.531 3.997 2.735 438 H GLN 55 HN GLN 55 18.412 0.970 0.469 439 HA GLN 55 HA GLN 55 20.173 -0.812 1.969 440 1HB GLN 55 HB2 GLN 55 18.357 -1.580 3.442 441 2HB GLN 55 HB1 GLN 55 18.720 0.129 3.696 442 1HG GLN 55 HG2 GLN 55 16.838 0.267 1.716 443 2HG GLN 55 HG1 GLN 55 16.277 -1.131 2.629 444 1HE2 GLN 55 HE21 GLN 55 15.857 2.146 2.469 445 2HE2 GLN 55 HE22 GLN 55 15.482 2.467 4.093 446 HA PRO 56 HA PRO 56 18.098 -2.827 -1.629 447 1HB PRO 56 HB2 PRO 56 20.678 -3.859 -2.370 448 2HB PRO 56 HB1 PRO 56 19.681 -2.679 -3.236 449 1HG PRO 56 HG2 PRO 56 22.091 -2.148 -1.994 450 2HG PRO 56 HG1 PRO 56 20.879 -0.944 -2.454 451 1HD PRO 56 HD2 PRO 56 21.489 -2.066 0.235 452 2HD PRO 56 HD1 PRO 56 20.836 -0.472 -0.206 453 H GLN 57 HN GLN 57 19.790 -3.778 1.101 454 HA GLN 57 HA GLN 57 20.102 -6.562 0.641 455 1HB GLN 57 HB2 GLN 57 21.408 -5.614 2.361 456 2HB GLN 57 HB1 GLN 57 20.004 -4.878 3.134 457 1HG GLN 57 HG2 GLN 57 19.130 -7.053 3.756 458 2HG GLN 57 HG1 GLN 57 20.414 -7.866 2.856 459 1HE2 GLN 57 HE21 GLN 57 20.166 -8.444 5.587 460 2HE2 GLN 57 HE22 GLN 57 21.453 -7.738 6.440 461 H LEU 58 HN LEU 58 17.550 -4.770 2.449 462 HA LEU 58 HA LEU 58 16.111 -7.202 2.923 463 1HB LEU 58 HB2 LEU 58 14.319 -5.644 3.748 464 2HB LEU 58 HB1 LEU 58 15.873 -5.486 4.552 465 HG LEU 58 HG LEU 58 16.111 -3.722 2.438 466 1HD1 LEU 58 HD11 LEU 58 13.468 -3.018 3.619 467 2HD1 LEU 58 HD12 LEU 58 13.488 -4.240 2.349 468 3HD1 LEU 58 HD13 LEU 58 14.130 -2.629 2.032 469 1HD2 LEU 58 HD21 LEU 58 15.378 -2.046 4.388 470 2HD2 LEU 58 HD22 LEU 58 16.896 -2.938 4.473 471 3HD2 LEU 58 HD23 LEU 58 15.484 -3.513 5.359 472 H VAL 59 HN VAL 59 16.257 -4.880 0.377 473 HA VAL 59 HA VAL 59 13.694 -5.254 -0.788 474 HB VAL 59 HB VAL 59 16.271 -4.746 -2.287 475 1HG1 VAL 59 HG11 VAL 59 13.363 -4.042 -2.752 476 2HG1 VAL 59 HG12 VAL 59 14.353 -5.149 -3.702 477 3HG1 VAL 59 HG13 VAL 59 14.696 -3.421 -3.727 478 1HG2 VAL 59 HG21 VAL 59 16.028 -3.231 -0.293 479 2HG2 VAL 59 HG22 VAL 59 14.485 -2.696 -0.948 480 3HG2 VAL 59 HG23 VAL 59 15.970 -2.379 -1.834 481 H GLU 60 HN GLU 60 16.836 -6.842 -1.314 482 HA GLU 60 HA GLU 60 15.851 -8.731 -3.218 483 1HB GLU 60 HB2 GLU 60 18.328 -8.740 -1.476 484 2HB GLU 60 HB1 GLU 60 18.006 -9.913 -2.755 485 1HG GLU 60 HG2 GLU 60 17.835 -8.053 -4.390 486 2HG GLU 60 HG1 GLU 60 18.232 -6.909 -3.109 487 H TYR 61 HN TYR 61 16.123 -8.650 0.279 488 HA TYR 61 HA TYR 61 15.801 -11.358 0.881 489 1HB TYR 61 HB2 TYR 61 16.266 -9.545 2.543 490 2HB TYR 61 HB1 TYR 61 14.587 -9.031 2.391 491 HD1 TYR 61 HD1 TYR 61 16.784 -11.863 3.374 492 HD2 TYR 61 HD2 TYR 61 12.820 -10.212 3.486 493 HE1 TYR 61 HE1 TYR 61 16.109 -13.595 5.016 494 HE2 TYR 61 HE2 TYR 61 12.145 -11.945 5.128 495 HH TYR 61 HH TYR 61 13.386 -14.607 5.602 496 H TYR 62 HN TYR 62 13.425 -8.867 0.118 497 HA TYR 62 HA TYR 62 11.182 -10.702 0.330 498 1HB TYR 62 HB2 TYR 62 11.426 -7.827 -0.581 499 2HB TYR 62 HB1 TYR 62 9.905 -8.702 -0.487 500 HD1 TYR 62 HD1 TYR 62 11.906 -6.443 1.194 501 HD2 TYR 62 HD2 TYR 62 9.681 -10.047 1.896 502 HE1 TYR 62 HE1 TYR 62 11.758 -5.880 3.601 503 HE2 TYR 62 HE2 TYR 62 9.533 -9.487 4.307 504 HH TYR 62 HH TYR 62 11.426 -7.473 5.841 505 H ARG 63 HN ARG 63 13.569 -10.696 -1.712 506 HA ARG 63 HA ARG 63 13.882 -11.322 -3.897 507 1HB ARG 63 HB2 ARG 63 10.936 -11.985 -3.699 508 2HB ARG 63 HB1 ARG 63 11.984 -12.447 -5.041 509 1HG ARG 63 HG2 ARG 63 13.475 -13.604 -3.364 510 2HG ARG 63 HG1 ARG 63 12.238 -13.296 -2.144 511 1HD ARG 63 HD2 ARG 63 10.603 -14.436 -3.773 512 2HD ARG 63 HD1 ARG 63 12.038 -15.008 -4.617 513 HE ARG 63 HE ARG 63 12.319 -16.554 -2.922 514 1HH1 ARG 63 HH11 ARG 63 9.726 -14.491 -2.132 515 2HH1 ARG 63 HH12 ARG 63 9.671 -14.931 -0.458 516 1HH2 ARG 63 HH21 ARG 63 12.532 -16.879 -0.599 517 2HH2 ARG 63 HH22 ARG 63 11.256 -16.282 0.408 518 H LEU 64 HN LEU 64 12.333 -8.765 -2.831 519 HA LEU 64 HA LEU 64 10.968 -7.631 -5.030 520 1HB LEU 64 HB2 LEU 64 11.059 -6.938 -2.521 521 2HB LEU 64 HB1 LEU 64 12.501 -6.046 -2.976 522 HG LEU 64 HG LEU 64 10.475 -4.641 -3.034 523 1HD1 LEU 64 HD11 LEU 64 12.501 -4.535 -4.707 524 2HD1 LEU 64 HD12 LEU 64 11.081 -3.523 -4.967 525 3HD1 LEU 64 HD13 LEU 64 11.284 -5.009 -5.893 526 1HD2 LEU 64 HD21 LEU 64 9.510 -6.056 -5.476 527 2HD2 LEU 64 HD22 LEU 64 8.600 -5.156 -4.262 528 3HD2 LEU 64 HD23 LEU 64 9.153 -6.794 -3.912 529 H VAL 65 HN VAL 65 11.744 -6.718 -6.874 530 HA VAL 65 HA VAL 65 14.542 -5.820 -6.938 531 HB VAL 65 HB VAL 65 13.433 -7.521 -9.163 532 1HG1 VAL 65 HG11 VAL 65 15.320 -6.360 -9.925 533 2HG1 VAL 65 HG12 VAL 65 16.026 -7.867 -9.339 534 3HG1 VAL 65 HG13 VAL 65 16.108 -6.410 -8.348 535 1HG2 VAL 65 HG21 VAL 65 14.655 -8.319 -6.550 536 2HG2 VAL 65 HG22 VAL 65 15.120 -9.218 -7.993 537 3HG2 VAL 65 HG23 VAL 65 13.426 -9.143 -7.509 538 H VAL 66 HN VAL 66 11.311 -5.247 -7.701 539 HA VAL 66 HA VAL 66 12.056 -3.341 -9.820 540 HB VAL 66 HB VAL 66 9.630 -3.427 -10.406 541 1HG1 VAL 66 HG11 VAL 66 10.646 -6.238 -10.482 542 2HG1 VAL 66 HG12 VAL 66 11.588 -4.980 -11.284 543 3HG1 VAL 66 HG13 VAL 66 9.918 -5.278 -11.772 544 1HG2 VAL 66 HG21 VAL 66 9.485 -5.904 -8.705 545 2HG2 VAL 66 HG22 VAL 66 8.164 -4.974 -9.418 546 3HG2 VAL 66 HG23 VAL 66 9.057 -4.326 -8.041 547 H THR 67 HN THR 67 11.435 -1.228 -9.658 548 HA THR 67 HA THR 67 9.950 -0.416 -7.263 549 HB THR 67 HB THR 67 11.564 1.466 -6.941 550 HG1 THR 67 HG1 THR 67 12.975 -0.030 -8.892 551 1HG2 THR 67 HG21 THR 67 12.824 0.185 -5.522 552 2HG2 THR 67 HG22 THR 67 13.233 -0.987 -6.775 553 3HG2 THR 67 HG23 THR 67 11.660 -1.061 -5.980 554 HA PRO 68 HA PRO 68 9.416 1.606 -6.426 555 1HB PRO 68 HB2 PRO 68 6.701 2.550 -6.586 556 2HB PRO 68 HB1 PRO 68 8.151 3.455 -6.127 557 1HG PRO 68 HG2 PRO 68 6.665 3.831 -8.433 558 2HG PRO 68 HG1 PRO 68 8.311 4.414 -8.149 559 1HD PRO 68 HD2 PRO 68 7.389 2.103 -9.777 560 2HD PRO 68 HD1 PRO 68 8.846 3.104 -9.957 561 H ALA 69 HN ALA 69 8.168 0.469 -4.821 562 HA ALA 69 HA ALA 69 6.139 -1.411 -5.779 563 1HB ALA 69 HB1 ALA 69 8.150 -2.694 -6.118 564 2HB ALA 69 HB2 ALA 69 7.365 -3.309 -4.663 565 3HB ALA 69 HB3 ALA 69 8.766 -2.247 -4.527 566 H LEU 70 HN LEU 70 4.818 -2.204 -4.124 567 HA LEU 70 HA LEU 70 5.251 -1.037 -1.447 568 1HB LEU 70 HB2 LEU 70 3.421 0.032 -2.906 569 2HB LEU 70 HB1 LEU 70 2.534 -1.471 -2.665 570 HG LEU 70 HG LEU 70 3.644 0.173 -0.386 571 1HD1 LEU 70 HD11 LEU 70 1.926 1.603 -0.634 572 2HD1 LEU 70 HD12 LEU 70 0.786 0.260 -0.553 573 3HD1 LEU 70 HD13 LEU 70 1.444 0.765 -2.109 574 1HD2 LEU 70 HD21 LEU 70 1.508 -1.246 0.535 575 2HD2 LEU 70 HD22 LEU 70 3.171 -1.817 0.621 576 3HD2 LEU 70 HD23 LEU 70 2.124 -2.347 -0.694 577 H VAL 71 HN VAL 71 5.090 -2.456 0.239 578 HA VAL 71 HA VAL 71 3.859 -5.071 -0.327 579 HB VAL 71 HB VAL 71 6.481 -4.712 1.121 580 1HG1 VAL 71 HG11 VAL 71 5.349 -7.242 -0.062 581 2HG1 VAL 71 HG12 VAL 71 4.882 -6.716 1.555 582 3HG1 VAL 71 HG13 VAL 71 6.573 -7.063 1.194 583 1HG2 VAL 71 HG21 VAL 71 7.386 -5.833 -0.996 584 2HG2 VAL 71 HG22 VAL 71 6.903 -4.145 -1.169 585 3HG2 VAL 71 HG23 VAL 71 5.844 -5.430 -1.752 586 H LYS 72 HN LYS 72 2.493 -5.754 1.155 587 HA LYS 72 HA LYS 72 2.309 -4.345 3.723 588 1HB LYS 72 HB2 LYS 72 0.261 -4.756 2.304 589 2HB LYS 72 HB1 LYS 72 0.466 -6.483 2.608 590 1HG LYS 72 HG2 LYS 72 0.561 -4.766 5.016 591 2HG LYS 72 HG1 LYS 72 -1.003 -4.824 4.203 592 1HD LYS 72 HD2 LYS 72 0.464 -7.398 4.649 593 2HD LYS 72 HD1 LYS 72 -0.348 -6.648 6.023 594 1HE LYS 72 HE2 LYS 72 -2.004 -6.672 3.604 595 2HE LYS 72 HE1 LYS 72 -1.558 -8.289 4.146 596 1HZ LYS 72 HZ1 LYS 72 -3.138 -8.091 5.669 597 2HZ LYS 72 HZ2 LYS 72 -3.390 -6.451 5.300 598 3HZ LYS 72 HZ3 LYS 72 -2.202 -6.899 6.428 599 H ILE 73 HN ILE 73 3.024 -5.236 5.590 600 HA ILE 73 HA ILE 73 4.092 -7.971 5.408 601 HB ILE 73 HB ILE 73 5.037 -7.141 7.768 602 1HG1 ILE 73 HG12 ILE 73 3.679 -4.928 7.211 603 2HG1 ILE 73 HG11 ILE 73 5.264 -4.837 7.975 604 1HG2 ILE 73 HG21 ILE 73 7.026 -6.281 6.449 605 2HG2 ILE 73 HG22 ILE 73 6.049 -6.472 4.992 606 3HG2 ILE 73 HG23 ILE 73 6.456 -7.880 5.973 607 1HD1 ILE 73 HD11 ILE 73 4.729 -3.383 5.826 608 2HD1 ILE 73 HD12 ILE 73 5.112 -4.884 4.982 609 3HD1 ILE 73 HD13 ILE 73 6.315 -4.129 6.029 610 H GLY 74 HN GLY 74 1.558 -6.160 6.965 611 1HA GLY 74 HA2 GLY 74 -0.017 -8.196 7.717 612 2HA GLY 74 HA1 GLY 74 1.172 -8.200 9.012 613 HA PRO 75 HA PRO 75 -0.345 -8.775 10.471 614 1HB PRO 75 HB2 PRO 75 -3.150 -8.748 11.110 615 2HB PRO 75 HB1 PRO 75 -1.771 -8.776 12.216 616 1HG PRO 75 HG2 PRO 75 -3.531 -6.651 11.780 617 2HG PRO 75 HG1 PRO 75 -2.014 -6.609 12.682 618 1HD PRO 75 HD2 PRO 75 -2.608 -5.523 10.024 619 2HD PRO 75 HD1 PRO 75 -1.237 -5.181 11.100 620 H GLY 76 HN GLY 76 -1.625 -10.779 9.940 621 1HA GLY 76 HA2 GLY 76 -3.024 -12.027 8.502 622 2HA GLY 76 HA1 GLY 76 -3.228 -10.598 7.493 623 H SER 77 HN SER 77 -2.765 -12.247 5.770 624 HA SER 77 HA SER 77 -0.161 -13.373 5.532 625 1HB SER 77 HB2 SER 77 -1.759 -14.477 4.256 626 2HB SER 77 HB1 SER 77 -2.465 -12.982 3.651 627 HG SER 77 HG SER 77 -1.128 -14.104 2.116 628 H ARG 78 HN ARG 78 1.428 -12.856 3.942 629 HA ARG 78 HA ARG 78 1.975 -10.009 3.831 630 1HB ARG 78 HB2 ARG 78 3.746 -11.744 4.271 631 2HB ARG 78 HB1 ARG 78 3.563 -12.269 2.595 632 1HG ARG 78 HG2 ARG 78 4.092 -9.966 1.832 633 2HG ARG 78 HG1 ARG 78 4.334 -9.482 3.511 634 1HD ARG 78 HD2 ARG 78 6.505 -9.973 2.604 635 2HD ARG 78 HD1 ARG 78 6.084 -11.298 3.686 636 HE ARG 78 HE ARG 78 5.495 -11.614 0.824 637 1HH1 ARG 78 HH21 ARG 78 5.535 -13.877 2.850 638 2HH1 ARG 78 HH22 ARG 78 7.048 -14.641 2.495 639 1HH2 ARG 78 HH11 ARG 78 8.281 -11.959 0.680 640 2HH2 ARG 78 HH12 ARG 78 8.601 -13.557 1.267 641 H GLN 79 HN GLN 79 2.247 -8.787 1.935 642 HA GLN 79 HA GLN 79 1.316 -9.996 -0.581 643 1HB GLN 79 HB2 GLN 79 0.256 -7.371 0.491 644 2HB GLN 79 HB1 GLN 79 -0.225 -8.180 -1.002 645 1HG GLN 79 HG2 GLN 79 -0.529 -9.435 1.738 646 2HG GLN 79 HG1 GLN 79 -1.809 -8.516 0.949 647 1HE2 GLN 79 HE21 GLN 79 -2.031 -9.332 -1.555 648 2HE2 GLN 79 HE22 GLN 79 -2.144 -11.018 -1.706 649 H VAL 80 HN VAL 80 2.170 -9.046 -2.428 650 HA VAL 80 HA VAL 80 4.096 -6.847 -1.983 651 HB VAL 80 HB VAL 80 4.474 -9.304 -3.714 652 1HG1 VAL 80 HG11 VAL 80 6.336 -6.957 -3.243 653 2HG1 VAL 80 HG12 VAL 80 5.381 -7.193 -4.708 654 3HG1 VAL 80 HG13 VAL 80 6.642 -8.350 -4.279 655 1HG2 VAL 80 HG21 VAL 80 6.376 -8.483 -1.571 656 2HG2 VAL 80 HG22 VAL 80 5.901 -10.101 -2.092 657 3HG2 VAL 80 HG23 VAL 80 4.835 -9.163 -1.047 658 H LEU 81 HN LEU 81 3.519 -5.119 -3.118 659 HA LEU 81 HA LEU 81 2.118 -5.523 -5.695 660 1HB LEU 81 HB2 LEU 81 1.913 -3.028 -4.038 661 2HB LEU 81 HB1 LEU 81 0.808 -3.627 -5.271 662 HG LEU 81 HG LEU 81 1.294 -4.959 -2.589 663 1HD1 LEU 81 HD11 LEU 81 -0.773 -3.026 -3.602 664 2HD1 LEU 81 HD12 LEU 81 0.084 -3.027 -2.061 665 3HD1 LEU 81 HD13 LEU 81 -1.200 -4.199 -2.356 666 1HD2 LEU 81 HD21 LEU 81 -0.817 -5.473 -4.708 667 2HD2 LEU 81 HD22 LEU 81 -0.608 -6.362 -3.200 668 3HD2 LEU 81 HD23 LEU 81 0.611 -6.478 -4.466 669 H SER 82 HN SER 82 3.183 -4.768 -7.455 670 HA SER 82 HA SER 82 4.853 -2.414 -7.248 671 1HB SER 82 HB2 SER 82 6.470 -4.046 -6.526 672 2HB SER 82 HB1 SER 82 6.080 -5.101 -7.877 673 HG SER 82 HG SER 82 7.294 -2.541 -7.907 674 H GLY 83 HN GLY 83 5.904 -1.909 -9.343 675 1HA GLY 83 HA2 GLY 83 5.944 -1.912 -11.698 676 2HA GLY 83 HA1 GLY 83 4.623 -3.071 -11.701 677 H ILE 84 HN ILE 84 5.073 0.189 -10.360 678 HA ILE 84 HA ILE 84 3.630 1.985 -10.265 679 HB ILE 84 HB ILE 84 3.147 2.924 -12.421 680 1HG1 ILE 84 HG12 ILE 84 3.801 0.219 -13.631 681 2HG1 ILE 84 HG11 ILE 84 2.152 0.785 -13.364 682 1HG2 ILE 84 HG21 ILE 84 5.412 2.292 -13.595 683 2HG2 ILE 84 HG22 ILE 84 5.701 1.381 -12.114 684 3HG2 ILE 84 HG23 ILE 84 5.437 3.124 -12.040 685 1HD1 ILE 84 HD11 ILE 84 2.225 2.102 -15.193 686 2HD1 ILE 84 HD12 ILE 84 3.739 1.298 -15.609 687 3HD1 ILE 84 HD13 ILE 84 3.765 2.807 -14.697 688 H ASP 85 HN ASP 85 2.358 -0.985 -10.538 689 HA ASP 85 HA ASP 85 -0.399 -0.077 -11.023 690 1HB ASP 85 HB2 ASP 85 -0.977 -2.430 -11.156 691 2HB ASP 85 HB1 ASP 85 0.417 -2.131 -12.193 692 H LEU 86 HN LEU 86 1.606 0.049 -8.592 693 HA LEU 86 HA LEU 86 0.717 -1.345 -6.417 694 1HB LEU 86 HB2 LEU 86 1.412 1.594 -6.349 695 2HB LEU 86 HB1 LEU 86 1.614 0.410 -5.062 696 HG LEU 86 HG LEU 86 3.027 -0.810 -7.023 697 1HD1 LEU 86 HD11 LEU 86 4.065 1.926 -7.427 698 2HD1 LEU 86 HD12 LEU 86 2.521 1.609 -8.214 699 3HD1 LEU 86 HD13 LEU 86 3.918 0.599 -8.577 700 1HD2 LEU 86 HD21 LEU 86 4.034 -0.550 -4.928 701 2HD2 LEU 86 HD22 LEU 86 3.789 1.195 -4.915 702 3HD2 LEU 86 HD23 LEU 86 5.032 0.487 -5.948 703 H THR 87 HN THR 87 -0.607 1.767 -7.586 704 HA THR 87 HA THR 87 -2.610 1.918 -5.583 705 HB THR 87 HB THR 87 -3.608 3.674 -6.978 706 HG1 THR 87 HG1 THR 87 -3.377 3.449 -9.034 707 1HG2 THR 87 HG21 THR 87 -0.616 3.619 -6.633 708 2HG2 THR 87 HG22 THR 87 -1.820 4.494 -5.686 709 3HG2 THR 87 HG23 THR 87 -1.423 5.031 -7.318 710 H ASP 88 HN ASP 88 -2.619 0.574 -8.870 711 HA ASP 88 HA ASP 88 -5.426 0.050 -8.896 712 1HB ASP 88 HB2 ASP 88 -3.133 -1.129 -10.484 713 2HB ASP 88 HB1 ASP 88 -4.832 -1.471 -10.796 714 H GLN 89 HN GLN 89 -2.543 -1.906 -8.226 715 HA GLN 89 HA GLN 89 -3.972 -4.289 -7.571 716 1HB GLN 89 HB2 GLN 89 -1.426 -3.864 -8.161 717 2HB GLN 89 HB1 GLN 89 -1.281 -3.691 -6.412 718 1HG GLN 89 HG2 GLN 89 -2.413 -5.894 -6.134 719 2HG GLN 89 HG1 GLN 89 -2.437 -6.072 -7.888 720 1HE2 GLN 89 HE21 GLN 89 0.355 -4.448 -7.493 721 2HE2 GLN 89 HE22 GLN 89 1.435 -5.738 -7.263 722 H LEU 90 HN LEU 90 -2.493 -1.688 -5.619 723 HA LEU 90 HA LEU 90 -3.096 -2.712 -3.085 724 1HB LEU 90 HB2 LEU 90 -1.617 -0.784 -3.440 725 2HB LEU 90 HB1 LEU 90 -2.996 0.182 -3.969 726 HG LEU 90 HG LEU 90 -4.063 -0.321 -1.717 727 1HD1 LEU 90 HD11 LEU 90 -2.887 -2.186 -0.893 728 2HD1 LEU 90 HD12 LEU 90 -2.211 -0.849 0.040 729 3HD1 LEU 90 HD13 LEU 90 -1.321 -1.505 -1.333 730 1HD2 LEU 90 HD21 LEU 90 -2.842 1.809 -2.336 731 2HD2 LEU 90 HD22 LEU 90 -1.407 1.128 -1.569 732 3HD2 LEU 90 HD23 LEU 90 -2.852 1.447 -0.610 733 H ALA 91 HN ALA 91 -5.008 -0.584 -5.197 734 HA ALA 91 HA ALA 91 -7.183 -0.177 -3.476 735 1HB ALA 91 HB1 ALA 91 -6.738 0.996 -5.677 736 2HB ALA 91 HB2 ALA 91 -8.410 0.501 -5.416 737 3HB ALA 91 HB3 ALA 91 -7.368 -0.442 -6.481 738 H ASN 92 HN ASN 92 -6.427 -2.803 -5.697 739 HA ASN 92 HA ASN 92 -8.941 -4.163 -5.274 740 1HB ASN 92 HB2 ASN 92 -6.375 -4.889 -6.684 741 2HB ASN 92 HB1 ASN 92 -7.740 -5.990 -6.556 742 1HD2 ASN 92 HD21 ASN 92 -9.166 -3.018 -6.629 743 2HD2 ASN 92 HD22 ASN 92 -9.396 -2.845 -8.301 744 H GLN 93 HN GLN 93 -5.614 -4.419 -4.158 745 HA GLN 93 HA GLN 93 -6.032 -6.864 -2.725 746 1HB GLN 93 HB2 GLN 93 -3.784 -4.849 -2.728 747 2HB GLN 93 HB1 GLN 93 -3.754 -6.351 -1.808 748 1HG GLN 93 HG2 GLN 93 -4.150 -6.177 -4.806 749 2HG GLN 93 HG1 GLN 93 -2.628 -6.578 -4.017 750 1HE2 GLN 93 HE21 GLN 93 -5.087 -8.055 -5.577 751 2HE2 GLN 93 HE22 GLN 93 -5.127 -9.532 -4.746 752 H LEU 94 HN LEU 94 -6.016 -3.433 -1.898 753 HA LEU 94 HA LEU 94 -5.848 -3.615 0.861 754 1HB LEU 94 HB2 LEU 94 -5.738 -1.466 -0.049 755 2HB LEU 94 HB1 LEU 94 -7.238 -1.651 -0.939 756 HG LEU 94 HG LEU 94 -8.511 -1.690 1.160 757 1HD1 LEU 94 HD11 LEU 94 -7.048 -0.986 3.236 758 2HD1 LEU 94 HD12 LEU 94 -5.734 -1.715 2.310 759 3HD1 LEU 94 HD13 LEU 94 -7.135 -2.684 2.768 760 1HD2 LEU 94 HD21 LEU 94 -6.965 0.528 0.177 761 2HD2 LEU 94 HD22 LEU 94 -7.097 0.661 1.929 762 3HD2 LEU 94 HD23 LEU 94 -8.553 0.555 0.943 763 HA PRO 95 HA PRO 95 -10.756 -3.909 1.092 764 1HB PRO 95 HB2 PRO 95 -11.504 -5.411 -1.240 765 2HB PRO 95 HB1 PRO 95 -12.042 -3.791 -0.774 766 1HG PRO 95 HG2 PRO 95 -10.054 -4.590 -2.749 767 2HG PRO 95 HG1 PRO 95 -10.892 -3.046 -2.549 768 1HD PRO 95 HD2 PRO 95 -8.220 -3.413 -1.994 769 2HD PRO 95 HD1 PRO 95 -9.236 -2.165 -1.239 770 H GLN 96 HN GLN 96 -8.940 -6.295 -0.814 771 HA GLN 96 HA GLN 96 -10.083 -8.623 0.273 772 1HB GLN 96 HB2 GLN 96 -7.318 -8.153 -0.865 773 2HB GLN 96 HB1 GLN 96 -8.020 -9.741 -0.549 774 1HG GLN 96 HG2 GLN 96 -9.843 -9.284 -2.108 775 2HG GLN 96 HG1 GLN 96 -9.238 -7.649 -2.374 776 1HE2 GLN 96 HE21 GLN 96 -9.488 -9.358 -4.596 777 2HE2 GLN 96 HE22 GLN 96 -7.943 -9.809 -5.138 778 H TRP 97 HN TRP 97 -7.383 -6.613 1.314 779 HA TRP 97 HA TRP 97 -6.430 -8.339 3.360 780 1HB TRP 97 HB2 TRP 97 -6.261 -5.320 3.177 781 2HB TRP 97 HB1 TRP 97 -5.280 -6.349 4.218 782 HD1 TRP 97 HD1 TRP 97 -5.344 -8.484 1.467 783 HE1 TRP 97 HE1 TRP 97 -3.439 -8.065 -0.222 784 HE3 TRP 97 HE3 TRP 97 -3.931 -3.785 2.876 785 HZ2 TRP 97 HZ2 TRP 97 -1.570 -6.006 -0.890 786 HZ3 TRP 97 HZ3 TRP 97 -2.091 -2.618 1.699 787 HH2 TRP 97 HH2 TRP 97 -0.909 -3.721 -0.182 788 H LEU 98 HN LEU 98 -8.671 -5.577 3.382 789 HA LEU 98 HA LEU 98 -9.244 -5.700 6.164 790 1HB LEU 98 HB2 LEU 98 -10.834 -4.535 3.866 791 2HB LEU 98 HB1 LEU 98 -11.141 -4.230 5.573 792 HG LEU 98 HG LEU 98 -8.521 -3.630 4.182 793 1HD1 LEU 98 HD11 LEU 98 -10.298 -2.176 3.327 794 2HD1 LEU 98 HD12 LEU 98 -9.237 -1.256 4.393 795 3HD1 LEU 98 HD13 LEU 98 -10.810 -1.803 4.973 796 1HD2 LEU 98 HD21 LEU 98 -9.434 -3.670 6.959 797 2HD2 LEU 98 HD22 LEU 98 -8.788 -2.097 6.493 798 3HD2 LEU 98 HD23 LEU 98 -7.793 -3.543 6.324 799 H VAL 99 HN VAL 99 -10.771 -7.039 3.278 800 HA VAL 99 HA VAL 99 -13.039 -8.128 4.600 801 HB VAL 99 HB VAL 99 -11.725 -8.942 1.999 802 1HG1 VAL 99 HG11 VAL 99 -14.470 -9.459 1.915 803 2HG1 VAL 99 HG12 VAL 99 -13.972 -10.015 3.514 804 3HG1 VAL 99 HG13 VAL 99 -13.188 -10.659 2.072 805 1HG2 VAL 99 HG21 VAL 99 -12.917 -7.270 0.978 806 2HG2 VAL 99 HG22 VAL 99 -12.817 -6.525 2.574 807 3HG2 VAL 99 HG23 VAL 99 -14.269 -7.410 2.101 808 H GLN 100 HN GLN 100 -9.834 -9.384 3.814 809 HA GLN 100 HA GLN 100 -8.689 -11.229 4.566 810 1HB GLN 100 HB2 GLN 100 -10.775 -11.106 6.756 811 2HB GLN 100 HB1 GLN 100 -9.309 -12.088 6.805 812 1HG GLN 100 HG2 GLN 100 -7.928 -10.064 6.585 813 2HG GLN 100 HG1 GLN 100 -9.382 -9.071 6.510 814 1HE2 GLN 100 HE21 GLN 100 -7.705 -8.400 8.544 815 2HE2 GLN 100 HE22 GLN 100 -8.281 -8.968 10.037 816 H GLN 101 HN GLN 101 -9.794 -12.093 2.513 817 HA GLN 101 HA GLN 101 -11.939 -13.980 2.872 818 1HB GLN 101 HB2 GLN 101 -10.058 -13.529 0.545 819 2HB GLN 101 HB1 GLN 101 -11.491 -14.555 0.507 820 1HG GLN 101 HG2 GLN 101 -12.899 -12.604 1.071 821 2HG GLN 101 HG1 GLN 101 -11.463 -11.582 1.092 822 1HE2 GLN 101 HE21 GLN 101 -13.704 -11.204 -0.741 823 2HE2 GLN 101 HE22 GLN 101 -13.112 -11.453 -2.311 824 H GLU 102 HN GLU 102 -8.845 -14.139 3.885 825 HA GLU 102 HA GLU 102 -7.441 -15.854 4.497 826 1HB GLU 102 HB2 GLU 102 -9.952 -17.482 4.054 827 2HB GLU 102 HB1 GLU 102 -8.490 -18.080 4.838 828 1HG GLU 102 HG2 GLU 102 -8.687 -16.271 6.531 829 2HG GLU 102 HG1 GLU 102 -10.191 -15.752 5.772 830 H GLY 103 HN GLY 103 -9.535 -17.203 1.929 831 1HA GLY 103 HA2 GLY 103 -8.790 -17.602 -0.310 832 2HA GLY 103 HA1 GLY 103 -7.133 -17.660 0.283 833 H ILE 104 HN ILE 104 -8.954 -19.321 2.475 834 HA ILE 104 HA ILE 104 -8.316 -21.901 1.183 835 HB ILE 104 HB ILE 104 -8.709 -21.245 4.111 836 1HG1 ILE 104 HG12 ILE 104 -6.222 -21.995 2.538 837 2HG1 ILE 104 HG11 ILE 104 -6.603 -20.373 3.120 838 1HG2 ILE 104 HG21 ILE 104 -8.452 -23.777 2.568 839 2HG2 ILE 104 HG22 ILE 104 -9.289 -23.467 4.087 840 3HG2 ILE 104 HG23 ILE 104 -7.538 -23.670 4.072 841 1HD1 ILE 104 HD11 ILE 104 -5.644 -22.741 4.621 842 2HD1 ILE 104 HD12 ILE 104 -6.895 -21.790 5.419 843 3HD1 ILE 104 HD13 ILE 104 -5.382 -21.025 4.936 844 H PHE 105 HN PHE 105 -9.859 -23.425 0.880 845 HA PHE 105 HA PHE 105 -12.630 -22.581 1.207 846 1HB PHE 105 HB2 PHE 105 -11.387 -25.001 -0.122 847 2HB PHE 105 HB1 PHE 105 -13.118 -24.662 -0.089 848 HD1 PHE 105 HD1 PHE 105 -14.030 -22.652 -1.227 849 HD2 PHE 105 HD2 PHE 105 -9.890 -23.754 -1.541 850 HE1 PHE 105 HE1 PHE 105 -13.774 -21.135 -3.171 851 HE2 PHE 105 HE2 PHE 105 -9.634 -22.237 -3.485 852 HZ PHE 105 HZ PHE 105 -11.575 -20.926 -4.301 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 0.274 1.736 36.031 2 2H GLY 1 HT2 GLY 1 -1.331 1.807 36.583 3 3H GLY 1 HT3 GLY 1 -1.004 1.406 34.965 4 1HA GLY 1 HA2 GLY 1 0.287 -0.314 36.888 5 2HA GLY 1 HA1 GLY 1 -1.475 -0.385 36.910 6 H SER 2 HN SER 2 -2.118 -2.088 35.738 7 HA SER 2 HA SER 2 -0.716 -2.665 33.200 8 1HB SER 2 HB2 SER 2 -0.655 -4.486 34.859 9 2HB SER 2 HB1 SER 2 -2.416 -4.492 34.912 10 HG SER 2 HG SER 2 -0.932 -5.853 33.297 11 H SER 3 HN SER 3 -1.819 -2.765 31.316 12 HA SER 3 HA SER 3 -4.507 -1.658 31.280 13 1HB SER 3 HB2 SER 3 -2.690 -2.480 29.005 14 2HB SER 3 HB1 SER 3 -4.208 -1.601 28.844 15 HG SER 3 HG SER 3 -1.736 -0.774 29.860 16 H LEU 4 HN LEU 4 -6.086 -2.656 29.676 17 HA LEU 4 HA LEU 4 -6.423 -5.469 30.383 18 1HB LEU 4 HB2 LEU 4 -8.331 -3.914 30.592 19 2HB LEU 4 HB1 LEU 4 -8.252 -3.594 28.858 20 HG LEU 4 HG LEU 4 -8.518 -6.097 28.505 21 1HD1 LEU 4 HD11 LEU 4 -8.939 -5.890 31.481 22 2HD1 LEU 4 HD12 LEU 4 -7.963 -7.053 30.582 23 3HD1 LEU 4 HD13 LEU 4 -9.723 -7.165 30.547 24 1HD2 LEU 4 HD21 LEU 4 -10.986 -5.422 29.915 25 2HD2 LEU 4 HD22 LEU 4 -10.712 -5.652 28.188 26 3HD2 LEU 4 HD23 LEU 4 -10.403 -4.082 28.927 27 H SER 5 HN SER 5 -6.103 -7.140 29.025 28 HA SER 5 HA SER 5 -5.674 -6.531 26.162 29 1HB SER 5 HB2 SER 5 -3.681 -7.281 27.862 30 2HB SER 5 HB1 SER 5 -4.217 -8.847 27.257 31 HG SER 5 HG SER 5 -3.843 -8.150 25.181 32 HA PRO 6 HA PRO 6 -8.925 -9.751 26.361 33 1HB PRO 6 HB2 PRO 6 -10.016 -8.611 23.952 34 2HB PRO 6 HB1 PRO 6 -10.705 -8.584 25.581 35 1HG PRO 6 HG2 PRO 6 -9.710 -6.400 24.184 36 2HG PRO 6 HG1 PRO 6 -10.057 -6.466 25.918 37 1HD PRO 6 HD2 PRO 6 -7.440 -6.561 24.526 38 2HD PRO 6 HD1 PRO 6 -7.821 -6.059 26.187 39 H GLN 7 HN GLN 7 -9.878 -10.840 24.047 40 HA GLN 7 HA GLN 7 -7.437 -11.945 22.842 41 1HB GLN 7 HB2 GLN 7 -9.289 -13.424 23.787 42 2HB GLN 7 HB1 GLN 7 -10.268 -12.907 22.413 43 1HG GLN 7 HG2 GLN 7 -8.430 -13.681 20.889 44 2HG GLN 7 HG1 GLN 7 -7.589 -14.320 22.297 45 1HE2 GLN 7 HE21 GLN 7 -8.725 -15.836 19.972 46 2HE2 GLN 7 HE22 GLN 7 -9.833 -16.931 20.646 47 H ALA 8 HN ALA 8 -9.670 -9.552 22.249 48 HA ALA 8 HA ALA 8 -9.342 -9.776 19.321 49 1HB ALA 8 HB1 ALA 8 -11.305 -8.035 19.418 50 2HB ALA 8 HB2 ALA 8 -11.551 -8.701 21.033 51 3HB ALA 8 HB3 ALA 8 -11.640 -9.755 19.622 52 H LEU 9 HN LEU 9 -7.202 -8.752 20.766 53 HA LEU 9 HA LEU 9 -7.406 -5.854 20.774 54 1HB LEU 9 HB2 LEU 9 -4.943 -6.000 21.342 55 2HB LEU 9 HB1 LEU 9 -6.023 -6.790 22.490 56 HG LEU 9 HG LEU 9 -5.098 -8.504 20.263 57 1HD1 LEU 9 HD11 LEU 9 -3.229 -7.238 22.252 58 2HD1 LEU 9 HD12 LEU 9 -2.975 -7.545 20.533 59 3HD1 LEU 9 HD13 LEU 9 -2.932 -8.881 21.685 60 1HD2 LEU 9 HD21 LEU 9 -6.429 -9.411 22.081 61 2HD2 LEU 9 HD22 LEU 9 -5.304 -8.763 23.276 62 3HD2 LEU 9 HD23 LEU 9 -4.798 -10.070 22.205 63 H ALA 10 HN ALA 10 -7.839 -5.323 18.651 64 HA ALA 10 HA ALA 10 -6.352 -6.277 16.425 65 1HB ALA 10 HB1 ALA 10 -7.929 -5.169 15.277 66 2HB ALA 10 HB2 ALA 10 -7.461 -3.635 16.009 67 3HB ALA 10 HB3 ALA 10 -8.624 -4.682 16.823 68 H GLN 11 HN GLN 11 -5.086 -4.760 14.997 69 HA GLN 11 HA GLN 11 -3.571 -2.728 16.463 70 1HB GLN 11 HB2 GLN 11 -2.436 -5.277 15.345 71 2HB GLN 11 HB1 GLN 11 -1.447 -3.820 15.433 72 1HG GLN 11 HG2 GLN 11 -2.107 -3.666 17.883 73 2HG GLN 11 HG1 GLN 11 -2.783 -5.284 17.718 74 1HE2 GLN 11 HE21 GLN 11 0.236 -3.855 16.371 75 2HE2 GLN 11 HE22 GLN 11 1.265 -5.021 17.051 76 HA PRO 12 HA PRO 12 -3.812 -0.480 12.710 77 1HB PRO 12 HB2 PRO 12 -1.044 0.311 12.726 78 2HB PRO 12 HB1 PRO 12 -2.458 1.271 13.188 79 1HG PRO 12 HG2 PRO 12 -0.497 -0.039 14.869 80 2HG PRO 12 HG1 PRO 12 -1.728 1.154 15.298 81 1HD PRO 12 HD2 PRO 12 -1.787 -1.529 16.025 82 2HD PRO 12 HD1 PRO 12 -3.195 -0.446 16.009 83 H LEU 13 HN LEU 13 -3.214 -0.672 10.501 84 HA LEU 13 HA LEU 13 -2.051 -3.213 9.813 85 1HB LEU 13 HB2 LEU 13 -3.971 -2.087 8.579 86 2HB LEU 13 HB1 LEU 13 -2.765 -0.991 7.905 87 HG LEU 13 HG LEU 13 -2.510 -3.997 7.727 88 1HD1 LEU 13 HD11 LEU 13 -4.484 -3.591 6.521 89 2HD1 LEU 13 HD12 LEU 13 -3.228 -3.484 5.287 90 3HD1 LEU 13 HD13 LEU 13 -3.923 -2.014 5.970 91 1HD2 LEU 13 HD21 LEU 13 -0.450 -3.344 7.020 92 2HD2 LEU 13 HD22 LEU 13 -0.947 -1.659 6.863 93 3HD2 LEU 13 HD23 LEU 13 -1.271 -2.800 5.558 94 H LEU 14 HN LEU 14 -0.021 -3.619 9.084 95 HA LEU 14 HA LEU 14 1.812 -1.335 9.105 96 1HB LEU 14 HB2 LEU 14 2.396 -4.305 9.092 97 2HB LEU 14 HB1 LEU 14 3.544 -3.005 9.398 98 HG LEU 14 HG LEU 14 1.190 -3.838 11.093 99 1HD1 LEU 14 HD11 LEU 14 3.744 -3.326 12.390 100 2HD1 LEU 14 HD12 LEU 14 3.891 -4.539 11.120 101 3HD1 LEU 14 HD13 LEU 14 2.738 -4.773 12.434 102 1HD2 LEU 14 HD21 LEU 14 2.017 -1.868 12.554 103 2HD2 LEU 14 HD22 LEU 14 1.041 -1.475 11.135 104 3HD2 LEU 14 HD23 LEU 14 2.795 -1.281 11.084 105 H LEU 15 HN LEU 15 2.168 -0.429 7.227 106 HA LEU 15 HA LEU 15 2.486 -2.141 4.852 107 1HB LEU 15 HB2 LEU 15 0.239 -0.909 5.022 108 2HB LEU 15 HB1 LEU 15 1.158 0.576 4.801 109 HG LEU 15 HG LEU 15 0.209 -0.336 2.670 110 1HD1 LEU 15 HD11 LEU 15 2.008 0.443 1.500 111 2HD1 LEU 15 HD12 LEU 15 3.137 -0.635 2.318 112 3HD1 LEU 15 HD13 LEU 15 2.604 0.847 3.106 113 1HD2 LEU 15 HD21 LEU 15 2.293 -2.470 2.690 114 2HD2 LEU 15 HD22 LEU 15 0.729 -2.444 1.878 115 3HD2 LEU 15 HD23 LEU 15 0.818 -2.770 3.606 116 H GLN 16 HN GLN 16 4.279 -1.717 3.663 117 HA GLN 16 HA GLN 16 5.660 0.843 4.163 118 1HB GLN 16 HB2 GLN 16 6.772 -1.940 4.330 119 2HB GLN 16 HB1 GLN 16 7.817 -0.580 3.908 120 1HG GLN 16 HG2 GLN 16 7.130 0.599 5.946 121 2HG GLN 16 HG1 GLN 16 6.064 -0.739 6.376 122 1HE2 GLN 16 HE21 GLN 16 8.625 -2.253 4.960 123 2HE2 GLN 16 HE22 GLN 16 9.600 -2.513 6.324 124 H LEU 17 HN LEU 17 6.359 1.869 2.422 125 HA LEU 17 HA LEU 17 6.102 0.514 -0.177 126 1HB LEU 17 HB2 LEU 17 4.640 2.452 0.114 127 2HB LEU 17 HB1 LEU 17 6.032 3.453 0.504 128 HG LEU 17 HG LEU 17 6.944 2.644 -1.818 129 1HD1 LEU 17 HD11 LEU 17 4.775 1.085 -1.849 130 2HD1 LEU 17 HD12 LEU 17 5.446 1.765 -3.331 131 3HD1 LEU 17 HD13 LEU 17 4.056 2.529 -2.560 132 1HD2 LEU 17 HD21 LEU 17 6.393 4.959 -1.372 133 2HD2 LEU 17 HD22 LEU 17 4.666 4.613 -1.475 134 3HD2 LEU 17 HD23 LEU 17 5.673 4.514 -2.921 135 H PHE 18 HN PHE 18 7.847 0.193 -1.405 136 HA PHE 18 HA PHE 18 10.404 1.320 -0.483 137 1HB PHE 18 HB2 PHE 18 9.652 -1.044 -2.183 138 2HB PHE 18 HB1 PHE 18 11.285 -0.376 -2.244 139 HD1 PHE 18 HD1 PHE 18 8.696 -1.301 0.310 140 HD2 PHE 18 HD2 PHE 18 12.850 -1.240 -0.765 141 HE1 PHE 18 HE1 PHE 18 9.261 -2.464 2.431 142 HE2 PHE 18 HE2 PHE 18 13.424 -2.409 1.350 143 HZ PHE 18 HZ PHE 18 11.622 -3.011 2.952 144 H VAL 19 HN VAL 19 11.228 3.019 -1.502 145 HA VAL 19 HA VAL 19 10.520 3.415 -4.351 146 HB VAL 19 HB VAL 19 10.243 5.777 -3.982 147 1HG1 VAL 19 HG11 VAL 19 8.273 5.765 -2.548 148 2HG1 VAL 19 HG12 VAL 19 8.809 4.276 -1.768 149 3HG1 VAL 19 HG13 VAL 19 8.317 4.256 -3.460 150 1HG2 VAL 19 HG21 VAL 19 10.324 6.555 -1.506 151 2HG2 VAL 19 HG22 VAL 19 11.859 6.323 -2.343 152 3HG2 VAL 19 HG23 VAL 19 11.270 5.092 -1.226 153 H ASP 20 HN ASP 20 12.015 4.711 -5.571 154 HA ASP 20 HA ASP 20 14.785 4.410 -4.619 155 1HB ASP 20 HB2 ASP 20 15.450 4.546 -6.929 156 2HB ASP 20 HB1 ASP 20 14.116 3.401 -6.821 157 H THR 21 HN THR 21 12.697 6.587 -4.040 158 HA THR 21 HA THR 21 12.862 8.804 -3.450 159 HB THR 21 HB THR 21 14.932 9.904 -3.429 160 HG1 THR 21 HG1 THR 21 15.584 9.861 -5.497 161 1HG2 THR 21 HG21 THR 21 15.949 8.410 -2.093 162 2HG2 THR 21 HG22 THR 21 16.324 7.363 -3.461 163 3HG2 THR 21 HG23 THR 21 14.769 7.217 -2.641 164 H ARG 22 HN ARG 22 12.563 7.608 -6.473 165 HA ARG 22 HA ARG 22 12.855 10.005 -8.027 166 1HB ARG 22 HB2 ARG 22 11.926 8.769 -9.840 167 2HB ARG 22 HB1 ARG 22 12.926 7.633 -8.937 168 1HG ARG 22 HG2 ARG 22 10.801 6.984 -7.672 169 2HG ARG 22 HG1 ARG 22 9.918 7.885 -8.905 170 1HD ARG 22 HD2 ARG 22 11.671 5.453 -9.281 171 2HD ARG 22 HD1 ARG 22 9.962 5.627 -9.676 172 HE ARG 22 HE ARG 22 11.647 7.482 -11.110 173 1HH1 ARG 22 HH21 ARG 22 9.137 6.107 -12.158 174 2HH1 ARG 22 HH22 ARG 22 9.798 5.038 -13.351 175 1HH2 ARG 22 HH11 ARG 22 13.048 5.306 -12.169 176 2HH2 ARG 22 HH12 ARG 22 12.015 4.586 -13.358 177 HA PRO 23 HA PRO 23 9.249 12.238 -6.894 178 1HB PRO 23 HB2 PRO 23 8.493 12.885 -9.585 179 2HB PRO 23 HB1 PRO 23 9.323 13.910 -8.407 180 1HG PRO 23 HG2 PRO 23 10.393 12.477 -10.683 181 2HG PRO 23 HG1 PRO 23 11.134 13.756 -9.710 182 1HD PRO 23 HD2 PRO 23 11.919 11.091 -9.678 183 2HD PRO 23 HD1 PRO 23 12.249 12.256 -8.380 184 H LEU 24 HN LEU 24 8.970 9.978 -9.618 185 HA LEU 24 HA LEU 24 6.191 9.810 -9.786 186 1HB LEU 24 HB2 LEU 24 7.769 8.719 -11.370 187 2HB LEU 24 HB1 LEU 24 8.148 7.525 -10.128 188 HG LEU 24 HG LEU 24 5.585 7.145 -10.011 189 1HD1 LEU 24 HD11 LEU 24 5.902 8.621 -12.634 190 2HD1 LEU 24 HD12 LEU 24 4.812 9.009 -11.303 191 3HD1 LEU 24 HD13 LEU 24 4.527 7.572 -12.286 192 1HD2 LEU 24 HD21 LEU 24 6.982 6.322 -12.568 193 2HD2 LEU 24 HD22 LEU 24 5.748 5.427 -11.680 194 3HD2 LEU 24 HD23 LEU 24 7.364 5.617 -10.998 195 H SER 25 HN SER 25 8.460 8.083 -7.658 196 HA SER 25 HA SER 25 6.526 6.424 -6.418 197 1HB SER 25 HB2 SER 25 8.201 6.020 -4.734 198 2HB SER 25 HB1 SER 25 9.009 6.088 -6.294 199 HG SER 25 HG SER 25 9.360 8.377 -5.768 200 H GLN 26 HN GLN 26 7.815 9.636 -5.659 201 HA GLN 26 HA GLN 26 6.366 10.023 -3.239 202 1HB GLN 26 HB2 GLN 26 7.384 12.037 -5.274 203 2HB GLN 26 HB1 GLN 26 6.804 12.438 -3.656 204 1HG GLN 26 HG2 GLN 26 9.142 10.612 -4.284 205 2HG GLN 26 HG1 GLN 26 9.270 12.274 -3.711 206 1HE2 GLN 26 HE21 GLN 26 9.593 9.235 -2.555 207 2HE2 GLN 26 HE22 GLN 26 9.022 9.448 -0.970 208 H HIS 27 HN HIS 27 5.753 10.400 -6.617 209 HA HIS 27 HA HIS 27 3.286 11.799 -6.556 210 1HB HIS 27 HB2 HIS 27 5.043 11.100 -8.459 211 2HB HIS 27 HB1 HIS 27 3.891 9.784 -8.669 212 HD1 HIS 27 HD1 HIS 27 1.314 11.536 -7.981 213 HD2 HIS 27 HD2 HIS 27 4.310 12.512 -10.713 214 HE1 HIS 27 HE1 HIS 27 0.276 13.168 -9.622 215 H ILE 28 HN ILE 28 4.078 8.364 -7.043 216 HA ILE 28 HA ILE 28 1.422 7.403 -6.890 217 HB ILE 28 HB ILE 28 4.055 5.995 -6.378 218 1HG1 ILE 28 HG12 ILE 28 2.253 6.122 -8.818 219 2HG1 ILE 28 HG11 ILE 28 3.803 6.946 -8.647 220 1HG2 ILE 28 HG21 ILE 28 1.302 4.842 -6.937 221 2HG2 ILE 28 HG22 ILE 28 2.096 4.832 -5.362 222 3HG2 ILE 28 HG23 ILE 28 2.790 3.923 -6.706 223 1HD1 ILE 28 HD11 ILE 28 4.250 4.226 -7.971 224 2HD1 ILE 28 HD12 ILE 28 4.833 5.090 -9.394 225 3HD1 ILE 28 HD13 ILE 28 3.295 4.229 -9.454 226 H VAL 29 HN VAL 29 3.879 8.096 -4.479 227 HA VAL 29 HA VAL 29 2.840 6.689 -2.293 228 HB VAL 29 HB VAL 29 4.326 9.317 -2.470 229 1HG1 VAL 29 HG11 VAL 29 3.277 9.609 -0.416 230 2HG1 VAL 29 HG12 VAL 29 4.699 8.687 0.072 231 3HG1 VAL 29 HG13 VAL 29 3.144 7.876 -0.122 232 1HG2 VAL 29 HG21 VAL 29 5.540 7.054 -1.075 233 2HG2 VAL 29 HG22 VAL 29 6.179 8.011 -2.410 234 3HG2 VAL 29 HG23 VAL 29 5.112 6.647 -2.736 235 H GLN 30 HN GLN 30 2.072 9.937 -3.510 236 HA GLN 30 HA GLN 30 0.164 10.591 -1.538 237 1HB GLN 30 HB2 GLN 30 0.334 11.440 -4.440 238 2HB GLN 30 HB1 GLN 30 -0.764 12.151 -3.258 239 1HG GLN 30 HG2 GLN 30 2.255 12.080 -3.007 240 2HG GLN 30 HG1 GLN 30 1.310 13.479 -3.514 241 1HE2 GLN 30 HE21 GLN 30 0.391 14.777 -1.883 242 2HE2 GLN 30 HE22 GLN 30 0.449 14.398 -0.230 243 H ARG 31 HN ARG 31 -0.072 8.892 -4.640 244 HA ARG 31 HA ARG 31 -2.883 8.569 -4.639 245 1HB ARG 31 HB2 ARG 31 -0.728 6.804 -5.829 246 2HB ARG 31 HB1 ARG 31 -2.453 6.672 -6.182 247 1HG ARG 31 HG2 ARG 31 -2.419 9.066 -6.925 248 2HG ARG 31 HG1 ARG 31 -0.666 9.052 -6.733 249 1HD ARG 31 HD2 ARG 31 -0.639 7.044 -8.294 250 2HD ARG 31 HD1 ARG 31 -2.333 7.390 -8.629 251 HE ARG 31 HE ARG 31 -0.175 9.355 -9.146 252 1HH1 ARG 31 HH11 ARG 31 -0.834 7.585 -11.446 253 2HH1 ARG 31 HH12 ARG 31 -2.056 8.481 -12.285 254 1HH2 ARG 31 HH21 ARG 31 -2.728 10.577 -9.605 255 2HH2 ARG 31 HH22 ARG 31 -3.130 10.174 -11.241 256 H VAL 32 HN VAL 32 -0.259 6.586 -3.322 257 HA VAL 32 HA VAL 32 -1.896 4.461 -2.401 258 HB VAL 32 HB VAL 32 0.830 5.466 -1.583 259 1HG1 VAL 32 HG11 VAL 32 0.978 3.229 -0.392 260 2HG1 VAL 32 HG12 VAL 32 -0.773 3.112 -0.557 261 3HG1 VAL 32 HG13 VAL 32 -0.060 4.423 0.384 262 1HG2 VAL 32 HG21 VAL 32 -0.018 4.068 -3.796 263 2HG2 VAL 32 HG22 VAL 32 0.436 2.765 -2.696 264 3HG2 VAL 32 HG23 VAL 32 1.615 4.001 -3.134 265 H LYS 33 HN LYS 33 -0.508 7.285 -0.736 266 HA LYS 33 HA LYS 33 -1.736 6.845 1.759 267 1HB LYS 33 HB2 LYS 33 -0.714 9.351 0.427 268 2HB LYS 33 HB1 LYS 33 -1.274 9.290 2.095 269 1HG LYS 33 HG2 LYS 33 0.382 7.454 2.525 270 2HG LYS 33 HG1 LYS 33 1.008 7.705 0.895 271 1HD LYS 33 HD2 LYS 33 1.517 10.051 1.446 272 2HD LYS 33 HD1 LYS 33 0.894 9.803 3.077 273 1HE LYS 33 HE2 LYS 33 2.678 7.739 2.874 274 2HE LYS 33 HE1 LYS 33 3.473 8.974 1.899 275 1HZ LYS 33 HZ1 LYS 33 3.702 10.366 3.667 276 2HZ LYS 33 HZ2 LYS 33 3.791 8.878 4.482 277 3HZ LYS 33 HZ3 LYS 33 2.341 9.762 4.481 278 H ASN 34 HN ASN 34 -2.744 8.729 -1.075 279 HA ASN 34 HA ASN 34 -5.033 9.909 0.062 280 1HB ASN 34 HB2 ASN 34 -4.407 9.171 -2.804 281 2HB ASN 34 HB1 ASN 34 -5.742 10.200 -2.305 282 1HD2 ASN 34 HD21 ASN 34 -3.279 10.903 -3.926 283 2HD2 ASN 34 HD22 ASN 34 -2.543 12.181 -3.082 284 H ILE 35 HN ILE 35 -4.608 6.883 -1.746 285 HA ILE 35 HA ILE 35 -7.364 6.175 -1.762 286 HB ILE 35 HB ILE 35 -4.865 4.522 -2.082 287 1HG1 ILE 35 HG12 ILE 35 -6.915 5.402 -4.132 288 2HG1 ILE 35 HG11 ILE 35 -5.449 6.320 -3.793 289 1HG2 ILE 35 HG21 ILE 35 -7.783 3.787 -2.442 290 2HG2 ILE 35 HG22 ILE 35 -6.632 3.048 -1.328 291 3HG2 ILE 35 HG23 ILE 35 -6.443 2.824 -3.068 292 1HD1 ILE 35 HD11 ILE 35 -4.063 4.421 -4.425 293 2HD1 ILE 35 HD12 ILE 35 -5.201 4.751 -5.731 294 3HD1 ILE 35 HD13 ILE 35 -5.491 3.406 -4.629 295 H LEU 36 HN LEU 36 -4.651 5.022 0.285 296 HA LEU 36 HA LEU 36 -6.196 3.316 1.899 297 1HB LEU 36 HB2 LEU 36 -3.684 4.869 2.566 298 2HB LEU 36 HB1 LEU 36 -4.372 3.601 3.582 299 HG LEU 36 HG LEU 36 -3.401 3.278 0.727 300 1HD1 LEU 36 HD11 LEU 36 -2.234 1.526 2.710 301 2HD1 LEU 36 HD12 LEU 36 -2.033 3.208 3.201 302 3HD1 LEU 36 HD13 LEU 36 -1.429 2.668 1.634 303 1HD2 LEU 36 HD21 LEU 36 -5.097 1.704 0.809 304 2HD2 LEU 36 HD22 LEU 36 -5.026 1.567 2.566 305 3HD2 LEU 36 HD23 LEU 36 -3.809 0.769 1.569 306 H ALA 37 HN ALA 37 -5.420 6.745 2.193 307 HA ALA 37 HA ALA 37 -6.745 7.130 4.688 308 1HB ALA 37 HB1 ALA 37 -4.989 8.649 3.634 309 2HB ALA 37 HB2 ALA 37 -6.397 9.458 4.322 310 3HB ALA 37 HB3 ALA 37 -6.272 9.238 2.577 311 H ALA 38 HN ALA 38 -7.835 6.572 1.532 312 HA ALA 38 HA ALA 38 -10.274 8.113 1.738 313 1HB ALA 38 HB1 ALA 38 -10.568 7.618 -0.463 314 2HB ALA 38 HB2 ALA 38 -10.078 5.936 -0.256 315 3HB ALA 38 HB3 ALA 38 -8.857 7.202 -0.373 316 H VAL 39 HN VAL 39 -9.224 5.013 2.761 317 HA VAL 39 HA VAL 39 -11.912 3.891 2.775 318 HB VAL 39 HB VAL 39 -9.881 2.511 2.234 319 1HG1 VAL 39 HG11 VAL 39 -8.135 2.473 3.654 320 2HG1 VAL 39 HG12 VAL 39 -9.180 1.942 4.972 321 3HG1 VAL 39 HG13 VAL 39 -8.965 3.664 4.656 322 1HG2 VAL 39 HG21 VAL 39 -11.255 0.819 2.804 323 2HG2 VAL 39 HG22 VAL 39 -12.154 1.908 3.860 324 3HG2 VAL 39 HG23 VAL 39 -10.783 0.998 4.494 325 H GLU 40 HN GLU 40 -10.205 5.956 4.756 326 HA GLU 40 HA GLU 40 -10.284 6.454 7.025 327 1HB GLU 40 HB2 GLU 40 -13.166 5.799 6.374 328 2HB GLU 40 HB1 GLU 40 -12.646 6.600 7.855 329 1HG GLU 40 HG2 GLU 40 -12.122 7.618 5.048 330 2HG GLU 40 HG1 GLU 40 -13.369 8.232 6.135 331 H ALA 41 HN ALA 41 -12.957 4.723 8.018 332 HA ALA 41 HA ALA 41 -13.274 2.702 9.114 333 1HB ALA 41 HB1 ALA 41 -10.516 1.726 8.977 334 2HB ALA 41 HB2 ALA 41 -11.213 2.079 7.394 335 3HB ALA 41 HB3 ALA 41 -12.016 0.943 8.478 336 H THR 42 HN THR 42 -12.600 1.679 11.169 337 HA THR 42 HA THR 42 -11.595 3.696 12.993 338 HB THR 42 HB THR 42 -12.180 2.050 14.743 339 HG1 THR 42 HG1 THR 42 -13.408 0.183 13.735 340 1HG2 THR 42 HG21 THR 42 -14.371 2.615 14.596 341 2HG2 THR 42 HG22 THR 42 -14.556 1.860 13.014 342 3HG2 THR 42 HG23 THR 42 -13.881 3.484 13.142 343 H VAL 43 HN VAL 43 -10.207 1.311 11.099 344 HA VAL 43 HA VAL 43 -7.851 1.155 12.869 345 HB VAL 43 HB VAL 43 -7.472 -1.046 11.542 346 1HG1 VAL 43 HG11 VAL 43 -7.823 -1.302 13.839 347 2HG1 VAL 43 HG12 VAL 43 -9.200 -2.179 13.169 348 3HG1 VAL 43 HG13 VAL 43 -9.410 -0.536 13.777 349 1HG2 VAL 43 HG21 VAL 43 -9.249 -1.983 10.418 350 2HG2 VAL 43 HG22 VAL 43 -9.633 -0.282 10.156 351 3HG2 VAL 43 HG23 VAL 43 -10.445 -1.182 11.439 352 HA PRO 44 HA PRO 44 -6.639 3.267 8.963 353 1HB PRO 44 HB2 PRO 44 -4.651 4.655 10.515 354 2HB PRO 44 HB1 PRO 44 -6.087 5.312 9.719 355 1HG PRO 44 HG2 PRO 44 -5.663 5.021 12.472 356 2HG PRO 44 HG1 PRO 44 -7.173 5.453 11.662 357 1HD PRO 44 HD2 PRO 44 -6.429 2.924 12.939 358 2HD PRO 44 HD1 PRO 44 -8.029 3.491 12.421 359 H ILE 45 HN ILE 45 -4.582 3.315 7.827 360 HA ILE 45 HA ILE 45 -2.844 1.056 8.588 361 HB ILE 45 HB ILE 45 -3.056 2.464 5.919 362 1HG1 ILE 45 HG12 ILE 45 -4.158 0.066 5.462 363 2HG1 ILE 45 HG11 ILE 45 -4.622 0.239 7.154 364 1HG2 ILE 45 HG21 ILE 45 -1.234 1.235 5.423 365 2HG2 ILE 45 HG22 ILE 45 -2.168 -0.228 5.731 366 3HG2 ILE 45 HG23 ILE 45 -1.243 0.517 7.038 367 1HD1 ILE 45 HD11 ILE 45 -6.416 1.253 6.039 368 2HD1 ILE 45 HD12 ILE 45 -5.376 1.947 4.796 369 3HD1 ILE 45 HD13 ILE 45 -5.391 2.635 6.417 370 H SER 46 HN SER 46 -0.598 1.320 8.734 371 HA SER 46 HA SER 46 0.308 4.133 8.803 372 1HB SER 46 HB2 SER 46 0.582 2.675 10.860 373 2HB SER 46 HB1 SER 46 1.728 1.712 9.933 374 HG SER 46 HG SER 46 2.603 3.505 11.236 375 H LEU 47 HN LEU 47 1.221 4.747 6.934 376 HA LEU 47 HA LEU 47 2.607 2.737 5.311 377 1HB LEU 47 HB2 LEU 47 0.850 4.532 4.477 378 2HB LEU 47 HB1 LEU 47 2.269 5.576 4.430 379 HG LEU 47 HG LEU 47 1.763 3.027 2.889 380 1HD1 LEU 47 HD11 LEU 47 2.815 5.723 2.002 381 2HD1 LEU 47 HD12 LEU 47 1.100 5.313 2.017 382 3HD1 LEU 47 HD13 LEU 47 2.211 4.418 0.981 383 1HD2 LEU 47 HD21 LEU 47 4.169 3.363 2.069 384 2HD2 LEU 47 HD22 LEU 47 3.994 2.670 3.677 385 3HD2 LEU 47 HD23 LEU 47 4.409 4.375 3.490 386 H GLN 48 HN GLN 48 4.731 2.569 5.345 387 HA GLN 48 HA GLN 48 6.339 4.924 6.122 388 1HB GLN 48 HB2 GLN 48 6.337 2.168 7.172 389 2HB GLN 48 HB1 GLN 48 7.934 2.807 6.781 390 1HG GLN 48 HG2 GLN 48 7.391 4.839 8.126 391 2HG GLN 48 HG1 GLN 48 5.864 4.087 8.587 392 1HE2 GLN 48 HE21 GLN 48 7.845 1.487 8.355 393 2HE2 GLN 48 HE22 GLN 48 8.456 1.431 9.937 394 H VAL 49 HN VAL 49 7.911 5.461 4.706 395 HA VAL 49 HA VAL 49 8.183 3.772 2.324 396 HB VAL 49 HB VAL 49 9.346 6.527 2.728 397 1HG1 VAL 49 HG11 VAL 49 8.868 6.384 0.136 398 2HG1 VAL 49 HG12 VAL 49 8.909 4.647 0.438 399 3HG1 VAL 49 HG13 VAL 49 10.317 5.641 0.816 400 1HG2 VAL 49 HG21 VAL 49 7.191 7.248 2.830 401 2HG2 VAL 49 HG22 VAL 49 6.556 5.672 2.356 402 3HG2 VAL 49 HG23 VAL 49 7.107 6.809 1.124 403 H ILE 50 HN ILE 50 9.964 2.683 1.838 404 HA ILE 50 HA ILE 50 12.355 3.132 3.510 405 HB ILE 50 HB ILE 50 11.570 0.561 2.122 406 1HG1 ILE 50 HG12 ILE 50 11.154 1.446 4.995 407 2HG1 ILE 50 HG11 ILE 50 9.887 1.141 3.815 408 1HG2 ILE 50 HG21 ILE 50 13.653 -0.059 2.721 409 2HG2 ILE 50 HG22 ILE 50 13.226 0.213 4.411 410 3HG2 ILE 50 HG23 ILE 50 13.933 1.518 3.458 411 1HD1 ILE 50 HD11 ILE 50 11.813 -1.081 4.253 412 2HD1 ILE 50 HD12 ILE 50 10.071 -1.133 3.994 413 3HD1 ILE 50 HD13 ILE 50 10.714 -0.727 5.585 414 H ASN 51 HN ASN 51 14.049 3.901 2.405 415 HA ASN 51 HA ASN 51 13.892 4.036 -0.473 416 1HB ASN 51 HB2 ASN 51 16.016 4.970 1.474 417 2HB ASN 51 HB1 ASN 51 16.013 5.303 -0.252 418 1HD2 ASN 51 HD21 ASN 51 15.960 7.539 1.334 419 2HD2 ASN 51 HD22 ASN 51 14.410 8.231 1.354 420 H VAL 52 HN VAL 52 14.462 2.293 -1.638 421 HA VAL 52 HA VAL 52 15.835 0.061 -0.742 422 HB VAL 52 HB VAL 52 16.235 -0.476 -3.112 423 1HG1 VAL 52 HG11 VAL 52 13.660 0.394 -1.992 424 2HG1 VAL 52 HG12 VAL 52 14.066 -1.090 -2.854 425 3HG1 VAL 52 HG13 VAL 52 13.685 0.377 -3.756 426 1HG2 VAL 52 HG21 VAL 52 16.919 1.546 -4.111 427 2HG2 VAL 52 HG22 VAL 52 15.573 2.451 -3.421 428 3HG2 VAL 52 HG23 VAL 52 15.291 1.324 -4.748 429 H ALA 53 HN ALA 53 17.041 3.169 -1.398 430 HA ALA 53 HA ALA 53 19.739 2.433 -2.043 431 1HB ALA 53 HB1 ALA 53 18.593 4.639 -2.602 432 2HB ALA 53 HB2 ALA 53 20.217 4.760 -1.925 433 3HB ALA 53 HB3 ALA 53 18.811 5.070 -0.906 434 H ASP 54 HN ASP 54 17.890 2.523 0.824 435 HA ASP 54 HA ASP 54 20.221 2.906 2.537 436 1HB ASP 54 HB2 ASP 54 17.283 2.576 3.163 437 2HB ASP 54 HB1 ASP 54 18.541 2.767 4.384 438 H GLN 55 HN GLN 55 17.874 0.397 1.649 439 HA GLN 55 HA GLN 55 19.741 -1.602 2.688 440 1HB GLN 55 HB2 GLN 55 18.136 -2.700 4.065 441 2HB GLN 55 HB1 GLN 55 18.102 -0.990 4.498 442 1HG GLN 55 HG2 GLN 55 16.039 -2.633 3.115 443 2HG GLN 55 HG1 GLN 55 15.844 -1.330 4.282 444 1HE2 GLN 55 HE21 GLN 55 16.262 0.942 3.423 445 2HE2 GLN 55 HE22 GLN 55 15.931 1.250 1.787 446 HA PRO 56 HA PRO 56 17.733 -2.716 -1.347 447 1HB PRO 56 HB2 PRO 56 20.354 -3.404 -2.318 448 2HB PRO 56 HB1 PRO 56 19.283 -2.109 -2.873 449 1HG PRO 56 HG2 PRO 56 21.689 -1.820 -1.474 450 2HG PRO 56 HG1 PRO 56 20.489 -0.564 -1.799 451 1HD PRO 56 HD2 PRO 56 21.067 -1.962 0.718 452 2HD PRO 56 HD1 PRO 56 20.168 -0.454 0.450 453 H GLN 57 HN GLN 57 19.639 -4.158 1.043 454 HA GLN 57 HA GLN 57 19.924 -6.777 -0.045 455 1HB GLN 57 HB2 GLN 57 21.413 -6.195 1.697 456 2HB GLN 57 HB1 GLN 57 20.102 -5.655 2.745 457 1HG GLN 57 HG2 GLN 57 19.265 -7.945 2.947 458 2HG GLN 57 HG1 GLN 57 20.507 -8.516 1.827 459 1HE2 GLN 57 HE21 GLN 57 22.128 -6.189 3.444 460 2HE2 GLN 57 HE22 GLN 57 22.743 -7.088 4.747 461 H LEU 58 HN LEU 58 17.536 -5.324 2.196 462 HA LEU 58 HA LEU 58 16.146 -7.797 2.536 463 1HB LEU 58 HB2 LEU 58 14.773 -6.646 3.968 464 2HB LEU 58 HB1 LEU 58 16.134 -5.533 3.955 465 HG LEU 58 HG LEU 58 14.968 -4.360 1.998 466 1HD1 LEU 58 HD11 LEU 58 12.319 -5.059 2.749 467 2HD1 LEU 58 HD12 LEU 58 13.180 -6.570 2.462 468 3HD1 LEU 58 HD13 LEU 58 13.106 -5.343 1.198 469 1HD2 LEU 58 HD21 LEU 58 14.942 -3.810 4.600 470 2HD2 LEU 58 HD22 LEU 58 13.240 -4.243 4.450 471 3HD2 LEU 58 HD23 LEU 58 13.898 -2.921 3.489 472 H VAL 59 HN VAL 59 16.125 -5.235 0.218 473 HA VAL 59 HA VAL 59 13.579 -5.645 -0.967 474 HB VAL 59 HB VAL 59 16.137 -4.760 -2.325 475 1HG1 VAL 59 HG11 VAL 59 14.315 -5.255 -3.866 476 2HG1 VAL 59 HG12 VAL 59 14.524 -3.509 -3.759 477 3HG1 VAL 59 HG13 VAL 59 13.199 -4.294 -2.898 478 1HG2 VAL 59 HG21 VAL 59 15.605 -3.498 -0.208 479 2HG2 VAL 59 HG22 VAL 59 14.050 -3.068 -0.919 480 3HG2 VAL 59 HG23 VAL 59 15.546 -2.501 -1.662 481 H GLU 60 HN GLU 60 16.792 -7.035 -1.601 482 HA GLU 60 HA GLU 60 15.946 -8.704 -3.756 483 1HB GLU 60 HB2 GLU 60 18.335 -8.848 -1.905 484 2HB GLU 60 HB1 GLU 60 18.099 -9.918 -3.288 485 1HG GLU 60 HG2 GLU 60 17.956 -7.929 -4.770 486 2HG GLU 60 HG1 GLU 60 18.282 -6.893 -3.383 487 H TYR 61 HN TYR 61 15.996 -9.044 -0.271 488 HA TYR 61 HA TYR 61 15.756 -11.804 0.002 489 1HB TYR 61 HB2 TYR 61 15.963 -10.215 1.905 490 2HB TYR 61 HB1 TYR 61 14.299 -9.702 1.626 491 HD1 TYR 61 HD1 TYR 61 12.421 -11.144 2.178 492 HD2 TYR 61 HD2 TYR 61 16.465 -12.492 2.709 493 HE1 TYR 61 HE1 TYR 61 11.605 -13.064 3.518 494 HE2 TYR 61 HE2 TYR 61 15.649 -14.411 4.049 495 HH TYR 61 HH TYR 61 13.062 -15.692 4.030 496 H TYR 62 HN TYR 62 13.287 -9.370 -0.670 497 HA TYR 62 HA TYR 62 11.168 -11.349 -0.877 498 1HB TYR 62 HB2 TYR 62 11.290 -8.371 -1.371 499 2HB TYR 62 HB1 TYR 62 9.837 -9.332 -1.616 500 HD1 TYR 62 HD1 TYR 62 11.610 -7.357 0.682 501 HD2 TYR 62 HD2 TYR 62 9.216 -10.915 0.451 502 HE1 TYR 62 HE1 TYR 62 11.090 -7.164 3.094 503 HE2 TYR 62 HE2 TYR 62 8.701 -10.723 2.867 504 HH TYR 62 HH TYR 62 9.234 -7.937 4.637 505 H ARG 63 HN ARG 63 13.683 -10.993 -2.718 506 HA ARG 63 HA ARG 63 14.169 -11.276 -4.944 507 1HB ARG 63 HB2 ARG 63 11.268 -12.150 -5.061 508 2HB ARG 63 HB1 ARG 63 12.478 -12.437 -6.315 509 1HG ARG 63 HG2 ARG 63 13.341 -13.294 -3.642 510 2HG ARG 63 HG1 ARG 63 11.919 -14.157 -4.227 511 1HD ARG 63 HD2 ARG 63 14.125 -15.205 -4.879 512 2HD ARG 63 HD1 ARG 63 13.060 -14.837 -6.232 513 HE ARG 63 HE ARG 63 14.458 -12.866 -6.660 514 1HH1 ARG 63 HH11 ARG 63 15.776 -13.195 -3.820 515 2HH1 ARG 63 HH12 ARG 63 17.378 -13.654 -4.292 516 1HH2 ARG 63 HH21 ARG 63 16.494 -14.376 -7.565 517 2HH2 ARG 63 HH22 ARG 63 17.784 -14.323 -6.411 518 H LEU 64 HN LEU 64 12.492 -8.963 -3.666 519 HA LEU 64 HA LEU 64 11.107 -7.665 -5.772 520 1HB LEU 64 HB2 LEU 64 10.982 -7.292 -3.218 521 2HB LEU 64 HB1 LEU 64 12.414 -6.293 -3.420 522 HG LEU 64 HG LEU 64 10.296 -4.986 -3.455 523 1HD1 LEU 64 HD11 LEU 64 12.508 -4.640 -4.930 524 2HD1 LEU 64 HD12 LEU 64 11.140 -3.529 -4.988 525 3HD1 LEU 64 HD13 LEU 64 11.324 -4.771 -6.228 526 1HD2 LEU 64 HD21 LEU 64 8.611 -5.363 -4.974 527 2HD2 LEU 64 HD22 LEU 64 9.206 -7.015 -4.809 528 3HD2 LEU 64 HD23 LEU 64 9.706 -6.028 -6.186 529 H VAL 65 HN VAL 65 11.870 -6.464 -7.422 530 HA VAL 65 HA VAL 65 14.553 -5.294 -7.261 531 HB VAL 65 HB VAL 65 13.762 -6.914 -9.676 532 1HG1 VAL 65 HG11 VAL 65 15.727 -6.174 -10.507 533 2HG1 VAL 65 HG12 VAL 65 16.582 -6.624 -9.032 534 3HG1 VAL 65 HG13 VAL 65 15.794 -5.052 -9.148 535 1HG2 VAL 65 HG21 VAL 65 13.855 -8.479 -7.837 536 2HG2 VAL 65 HG22 VAL 65 15.337 -7.752 -7.225 537 3HG2 VAL 65 HG23 VAL 65 15.353 -8.638 -8.750 538 H VAL 66 HN VAL 66 11.331 -5.024 -8.116 539 HA VAL 66 HA VAL 66 11.853 -2.966 -10.143 540 HB VAL 66 HB VAL 66 9.365 -3.155 -10.504 541 1HG1 VAL 66 HG11 VAL 66 11.113 -5.605 -10.849 542 2HG1 VAL 66 HG12 VAL 66 10.862 -4.306 -12.014 543 3HG1 VAL 66 HG13 VAL 66 9.541 -5.407 -11.624 544 1HG2 VAL 66 HG21 VAL 66 9.100 -4.200 -8.147 545 2HG2 VAL 66 HG22 VAL 66 9.578 -5.711 -8.923 546 3HG2 VAL 66 HG23 VAL 66 8.125 -4.866 -9.458 547 H THR 67 HN THR 67 11.213 -0.870 -9.830 548 HA THR 67 HA THR 67 9.827 -0.235 -7.327 549 HB THR 67 HB THR 67 11.438 1.718 -7.059 550 HG1 THR 67 HG1 THR 67 13.099 0.083 -8.655 551 1HG2 THR 67 HG21 THR 67 13.232 -0.486 -6.631 552 2HG2 THR 67 HG22 THR 67 11.588 -1.008 -6.261 553 3HG2 THR 67 HG23 THR 67 12.274 0.398 -5.444 554 HA PRO 68 HA PRO 68 9.362 1.771 -6.322 555 1HB PRO 68 HB2 PRO 68 6.622 2.651 -6.256 556 2HB PRO 68 HB1 PRO 68 8.078 3.566 -5.838 557 1HG PRO 68 HG2 PRO 68 6.435 4.021 -8.025 558 2HG PRO 68 HG1 PRO 68 8.073 4.650 -7.800 559 1HD PRO 68 HD2 PRO 68 7.135 2.426 -9.527 560 2HD PRO 68 HD1 PRO 68 8.565 3.465 -9.700 561 H ALA 69 HN ALA 69 8.208 0.547 -4.688 562 HA ALA 69 HA ALA 69 6.243 -1.402 -5.680 563 1HB ALA 69 HB1 ALA 69 7.532 -3.230 -4.531 564 2HB ALA 69 HB2 ALA 69 8.864 -2.095 -4.322 565 3HB ALA 69 HB3 ALA 69 8.354 -2.563 -5.943 566 H LEU 70 HN LEU 70 4.985 -2.326 -3.997 567 HA LEU 70 HA LEU 70 5.243 -1.004 -1.380 568 1HB LEU 70 HB2 LEU 70 3.379 -0.182 -2.958 569 2HB LEU 70 HB1 LEU 70 2.606 -1.722 -2.628 570 HG LEU 70 HG LEU 70 3.575 -0.065 -0.327 571 1HD1 LEU 70 HD11 LEU 70 1.420 0.632 -2.229 572 2HD1 LEU 70 HD12 LEU 70 2.322 1.663 -1.119 573 3HD1 LEU 70 HD13 LEU 70 0.971 0.697 -0.525 574 1HD2 LEU 70 HD21 LEU 70 1.097 -1.089 0.258 575 2HD2 LEU 70 HD22 LEU 70 2.625 -1.883 0.636 576 3HD2 LEU 70 HD23 LEU 70 1.743 -2.325 -0.816 577 H VAL 71 HN VAL 71 5.282 -2.344 0.340 578 HA VAL 71 HA VAL 71 4.393 -5.131 -0.085 579 HB VAL 71 HB VAL 71 6.820 -4.212 1.466 580 1HG1 VAL 71 HG11 VAL 71 7.291 -6.565 1.747 581 2HG1 VAL 71 HG12 VAL 71 5.930 -7.009 0.716 582 3HG1 VAL 71 HG13 VAL 71 5.639 -6.278 2.295 583 1HG2 VAL 71 HG21 VAL 71 6.384 -5.107 -1.343 584 2HG2 VAL 71 HG22 VAL 71 7.784 -5.784 -0.512 585 3HG2 VAL 71 HG23 VAL 71 7.623 -4.037 -0.686 586 H LYS 72 HN LYS 72 2.976 -5.871 1.328 587 HA LYS 72 HA LYS 72 2.396 -4.330 3.760 588 1HB LYS 72 HB2 LYS 72 0.535 -5.033 2.223 589 2HB LYS 72 HB1 LYS 72 0.909 -6.710 2.617 590 1HG LYS 72 HG2 LYS 72 0.696 -5.885 5.104 591 2HG LYS 72 HG1 LYS 72 -0.221 -4.560 4.386 592 1HD LYS 72 HD2 LYS 72 -1.533 -6.413 3.140 593 2HD LYS 72 HD1 LYS 72 -0.820 -7.509 4.327 594 1HE LYS 72 HE2 LYS 72 -1.747 -5.372 5.859 595 2HE LYS 72 HE1 LYS 72 -3.011 -5.616 4.653 596 1HZ LYS 72 HZ1 LYS 72 -2.961 -7.010 6.849 597 2HZ LYS 72 HZ2 LYS 72 -1.866 -7.969 5.970 598 3HZ LYS 72 HZ3 LYS 72 -3.440 -7.716 5.383 599 H ILE 73 HN ILE 73 3.045 -5.005 5.726 600 HA ILE 73 HA ILE 73 4.297 -7.658 5.877 601 HB ILE 73 HB ILE 73 4.971 -6.571 8.232 602 1HG1 ILE 73 HG12 ILE 73 3.583 -4.488 7.315 603 2HG1 ILE 73 HG11 ILE 73 5.054 -4.257 8.256 604 1HG2 ILE 73 HG21 ILE 73 6.720 -7.303 6.898 605 2HG2 ILE 73 HG22 ILE 73 6.966 -5.559 6.811 606 3HG2 ILE 73 HG23 ILE 73 6.161 -6.404 5.488 607 1HD1 ILE 73 HD11 ILE 73 6.362 -3.932 6.256 608 2HD1 ILE 73 HD12 ILE 73 4.943 -2.892 6.129 609 3HD1 ILE 73 HD13 ILE 73 5.010 -4.408 5.229 610 H GLY 74 HN GLY 74 1.392 -6.096 6.789 611 1HA GLY 74 HA2 GLY 74 -0.111 -8.031 7.640 612 2HA GLY 74 HA1 GLY 74 0.985 -7.984 9.015 613 HA PRO 75 HA PRO 75 -0.454 -8.448 10.590 614 1HB PRO 75 HB2 PRO 75 -3.293 -8.582 11.008 615 2HB PRO 75 HB1 PRO 75 -2.014 -8.401 12.215 616 1HG PRO 75 HG2 PRO 75 -3.879 -6.464 11.356 617 2HG PRO 75 HG1 PRO 75 -2.548 -6.260 12.499 618 1HD PRO 75 HD2 PRO 75 -2.762 -5.257 9.795 619 2HD PRO 75 HD1 PRO 75 -1.482 -4.957 10.988 620 H GLY 76 HN GLY 76 -1.440 -10.587 10.076 621 1HA GLY 76 HA2 GLY 76 -2.640 -12.046 8.654 622 2HA GLY 76 HA1 GLY 76 -2.960 -10.692 7.574 623 H SER 77 HN SER 77 -2.271 -12.088 5.824 624 HA SER 77 HA SER 77 0.423 -13.072 5.740 625 1HB SER 77 HB2 SER 77 -1.020 -14.342 4.443 626 2HB SER 77 HB1 SER 77 -1.837 -12.931 3.777 627 HG SER 77 HG SER 77 -0.500 -13.540 2.183 628 H ARG 78 HN ARG 78 2.023 -12.468 4.238 629 HA ARG 78 HA ARG 78 2.323 -9.583 3.985 630 1HB ARG 78 HB2 ARG 78 4.162 -11.195 4.699 631 2HB ARG 78 HB1 ARG 78 4.210 -11.736 3.022 632 1HG ARG 78 HG2 ARG 78 4.501 -9.275 2.387 633 2HG ARG 78 HG1 ARG 78 4.789 -8.972 4.099 634 1HD ARG 78 HD2 ARG 78 6.953 -9.298 3.261 635 2HD ARG 78 HD1 ARG 78 6.541 -10.881 3.916 636 HE ARG 78 HE ARG 78 6.948 -10.219 1.132 637 1HH1 ARG 78 HH11 ARG 78 7.186 -12.810 3.044 638 2HH1 ARG 78 HH12 ARG 78 6.254 -13.913 2.088 639 1HH2 ARG 78 HH21 ARG 78 4.945 -11.443 0.036 640 2HH2 ARG 78 HH22 ARG 78 4.984 -13.139 0.385 641 H GLN 79 HN GLN 79 2.550 -8.472 1.997 642 HA GLN 79 HA GLN 79 1.949 -10.021 -0.442 643 1HB GLN 79 HB2 GLN 79 0.541 -7.494 0.438 644 2HB GLN 79 HB1 GLN 79 0.404 -8.206 -1.170 645 1HG GLN 79 HG2 GLN 79 -0.442 -10.304 -0.145 646 2HG GLN 79 HG1 GLN 79 -0.364 -9.538 1.443 647 1HE2 GLN 79 HE21 GLN 79 -2.792 -10.488 -0.082 648 2HE2 GLN 79 HE22 GLN 79 -3.790 -9.122 -0.212 649 H VAL 80 HN VAL 80 2.540 -8.971 -2.414 650 HA VAL 80 HA VAL 80 4.464 -6.751 -2.081 651 HB VAL 80 HB VAL 80 4.819 -9.160 -3.885 652 1HG1 VAL 80 HG11 VAL 80 5.989 -7.470 -4.961 653 2HG1 VAL 80 HG12 VAL 80 7.221 -8.029 -3.830 654 3HG1 VAL 80 HG13 VAL 80 6.283 -6.580 -3.467 655 1HG2 VAL 80 HG21 VAL 80 6.163 -10.110 -2.289 656 2HG2 VAL 80 HG22 VAL 80 5.144 -9.180 -1.193 657 3HG2 VAL 80 HG23 VAL 80 6.717 -8.550 -1.679 658 H LEU 81 HN LEU 81 3.658 -5.056 -3.156 659 HA LEU 81 HA LEU 81 2.317 -5.550 -5.752 660 1HB LEU 81 HB2 LEU 81 1.852 -3.104 -4.078 661 2HB LEU 81 HB1 LEU 81 0.837 -3.786 -5.339 662 HG LEU 81 HG LEU 81 1.392 -5.168 -2.704 663 1HD1 LEU 81 HD11 LEU 81 -1.042 -3.593 -3.582 664 2HD1 LEU 81 HD12 LEU 81 0.152 -3.035 -2.411 665 3HD1 LEU 81 HD13 LEU 81 -0.850 -4.441 -2.048 666 1HD2 LEU 81 HD21 LEU 81 -0.345 -6.672 -3.360 667 2HD2 LEU 81 HD22 LEU 81 0.696 -6.519 -4.767 668 3HD2 LEU 81 HD23 LEU 81 -0.828 -5.636 -4.703 669 H SER 82 HN SER 82 3.412 -4.753 -7.460 670 HA SER 82 HA SER 82 4.811 -2.225 -7.220 671 1HB SER 82 HB2 SER 82 6.536 -3.693 -6.401 672 2HB SER 82 HB1 SER 82 6.320 -4.787 -7.758 673 HG SER 82 HG SER 82 7.313 -3.396 -9.048 674 H GLY 83 HN GLY 83 5.919 -1.664 -9.285 675 1HA GLY 83 HA2 GLY 83 6.050 -1.693 -11.639 676 2HA GLY 83 HA1 GLY 83 4.841 -2.967 -11.673 677 H ILE 84 HN ILE 84 5.100 0.420 -10.634 678 HA ILE 84 HA ILE 84 3.549 2.130 -10.653 679 HB ILE 84 HB ILE 84 3.028 2.839 -12.867 680 1HG1 ILE 84 HG12 ILE 84 3.579 0.003 -13.798 681 2HG1 ILE 84 HG11 ILE 84 1.958 0.667 -13.580 682 1HG2 ILE 84 HG21 ILE 84 5.557 1.179 -12.760 683 2HG2 ILE 84 HG22 ILE 84 5.392 2.899 -12.407 684 3HG2 ILE 84 HG23 ILE 84 5.198 2.315 -14.060 685 1HD1 ILE 84 HD11 ILE 84 3.301 2.586 -15.110 686 2HD1 ILE 84 HD12 ILE 84 2.107 1.429 -15.698 687 3HD1 ILE 84 HD13 ILE 84 3.826 1.041 -15.781 688 H ASP 85 HN ASP 85 2.415 -0.903 -10.528 689 HA ASP 85 HA ASP 85 -0.401 -0.141 -10.989 690 1HB ASP 85 HB2 ASP 85 -0.886 -2.521 -11.025 691 2HB ASP 85 HB1 ASP 85 0.433 -2.183 -12.145 692 H LEU 86 HN LEU 86 1.666 0.125 -8.592 693 HA LEU 86 HA LEU 86 0.835 -1.287 -6.389 694 1HB LEU 86 HB2 LEU 86 1.499 1.663 -6.353 695 2HB LEU 86 HB1 LEU 86 1.726 0.494 -5.056 696 HG LEU 86 HG LEU 86 3.107 -0.702 -7.092 697 1HD1 LEU 86 HD11 LEU 86 4.149 0.827 -8.476 698 2HD1 LEU 86 HD12 LEU 86 4.029 2.133 -7.297 699 3HD1 LEU 86 HD13 LEU 86 2.614 1.663 -8.240 700 1HD2 LEU 86 HD21 LEU 86 5.131 0.505 -5.938 701 2HD2 LEU 86 HD22 LEU 86 4.126 -0.585 -4.982 702 3HD2 LEU 86 HD23 LEU 86 3.897 1.160 -4.863 703 H THR 87 HN THR 87 -0.585 1.764 -7.604 704 HA THR 87 HA THR 87 -2.553 1.914 -5.561 705 HB THR 87 HB THR 87 -3.626 3.611 -6.988 706 HG1 THR 87 HG1 THR 87 -3.033 2.352 -8.942 707 1HG2 THR 87 HG21 THR 87 -1.835 4.485 -5.713 708 2HG2 THR 87 HG22 THR 87 -1.517 5.049 -7.352 709 3HG2 THR 87 HG23 THR 87 -0.622 3.674 -6.703 710 H ASP 88 HN ASP 88 -2.561 0.454 -8.785 711 HA ASP 88 HA ASP 88 -5.360 -0.112 -8.797 712 1HB ASP 88 HB2 ASP 88 -3.044 -1.341 -10.310 713 2HB ASP 88 HB1 ASP 88 -4.738 -1.692 -10.630 714 H GLN 89 HN GLN 89 -2.449 -1.975 -8.024 715 HA GLN 89 HA GLN 89 -3.817 -4.367 -7.307 716 1HB GLN 89 HB2 GLN 89 -1.201 -3.661 -7.749 717 2HB GLN 89 HB1 GLN 89 -1.239 -3.870 -5.997 718 1HG GLN 89 HG2 GLN 89 -2.258 -6.099 -6.285 719 2HG GLN 89 HG1 GLN 89 -2.223 -5.888 -8.034 720 1HE2 GLN 89 HE21 GLN 89 0.507 -4.364 -7.435 721 2HE2 GLN 89 HE22 GLN 89 1.612 -5.652 -7.356 722 H LEU 90 HN LEU 90 -2.386 -1.715 -5.360 723 HA LEU 90 HA LEU 90 -3.044 -2.714 -2.837 724 1HB LEU 90 HB2 LEU 90 -1.598 -0.757 -3.172 725 2HB LEU 90 HB1 LEU 90 -2.988 0.177 -3.730 726 HG LEU 90 HG LEU 90 -4.098 -0.330 -1.513 727 1HD1 LEU 90 HD11 LEU 90 -2.014 -0.799 0.187 728 2HD1 LEU 90 HD12 LEU 90 -1.538 -1.774 -1.203 729 3HD1 LEU 90 HD13 LEU 90 -3.094 -2.056 -0.421 730 1HD2 LEU 90 HD21 LEU 90 -3.176 1.844 -1.784 731 2HD2 LEU 90 HD22 LEU 90 -1.522 1.241 -1.680 732 3HD2 LEU 90 HD23 LEU 90 -2.543 1.268 -0.241 733 H ALA 91 HN ALA 91 -4.953 -0.609 -4.979 734 HA ALA 91 HA ALA 91 -7.164 -0.243 -3.303 735 1HB ALA 91 HB1 ALA 91 -8.421 0.265 -5.340 736 2HB ALA 91 HB2 ALA 91 -7.164 -0.484 -6.324 737 3HB ALA 91 HB3 ALA 91 -6.817 0.993 -5.424 738 H ASN 92 HN ASN 92 -6.288 -2.884 -5.449 739 HA ASN 92 HA ASN 92 -8.789 -4.288 -5.091 740 1HB ASN 92 HB2 ASN 92 -6.174 -4.917 -6.444 741 2HB ASN 92 HB1 ASN 92 -7.423 -6.140 -6.243 742 1HD2 ASN 92 HD21 ASN 92 -9.679 -4.275 -6.552 743 2HD2 ASN 92 HD22 ASN 92 -9.709 -3.818 -8.186 744 H GLN 93 HN GLN 93 -5.542 -4.374 -3.762 745 HA GLN 93 HA GLN 93 -5.903 -6.831 -2.332 746 1HB GLN 93 HB2 GLN 93 -3.826 -4.648 -2.140 747 2HB GLN 93 HB1 GLN 93 -3.769 -6.148 -1.219 748 1HG GLN 93 HG2 GLN 93 -3.950 -6.051 -4.234 749 2HG GLN 93 HG1 GLN 93 -2.438 -6.194 -3.352 750 1HE2 GLN 93 HE21 GLN 93 -4.529 -8.067 -5.000 751 2HE2 GLN 93 HE22 GLN 93 -4.403 -9.510 -4.121 752 H LEU 94 HN LEU 94 -6.189 -3.401 -1.562 753 HA LEU 94 HA LEU 94 -6.266 -3.527 1.197 754 1HB LEU 94 HB2 LEU 94 -6.284 -1.385 0.276 755 2HB LEU 94 HB1 LEU 94 -7.632 -1.739 -0.790 756 HG LEU 94 HG LEU 94 -9.158 -1.865 1.115 757 1HD1 LEU 94 HD11 LEU 94 -7.992 -2.714 2.930 758 2HD1 LEU 94 HD12 LEU 94 -8.019 -1.002 3.353 759 3HD1 LEU 94 HD13 LEU 94 -6.577 -1.706 2.625 760 1HD2 LEU 94 HD21 LEU 94 -9.303 0.351 0.675 761 2HD2 LEU 94 HD22 LEU 94 -7.558 0.507 0.483 762 3HD2 LEU 94 HD23 LEU 94 -8.279 0.579 2.091 763 HA PRO 95 HA PRO 95 -11.128 -4.305 0.950 764 1HB PRO 95 HB2 PRO 95 -11.483 -5.883 -1.426 765 2HB PRO 95 HB1 PRO 95 -12.220 -4.321 -1.040 766 1HG PRO 95 HG2 PRO 95 -9.977 -4.932 -2.791 767 2HG PRO 95 HG1 PRO 95 -10.973 -3.473 -2.698 768 1HD PRO 95 HD2 PRO 95 -8.351 -3.587 -1.874 769 2HD PRO 95 HD1 PRO 95 -9.550 -2.433 -1.246 770 H GLN 96 HN GLN 96 -8.824 -6.484 -0.648 771 HA GLN 96 HA GLN 96 -9.868 -8.935 0.244 772 1HB GLN 96 HB2 GLN 96 -7.015 -8.169 -0.418 773 2HB GLN 96 HB1 GLN 96 -7.600 -9.824 -0.227 774 1HG GLN 96 HG2 GLN 96 -9.152 -9.538 -2.076 775 2HG GLN 96 HG1 GLN 96 -8.716 -7.837 -2.221 776 1HE2 GLN 96 HE21 GLN 96 -8.379 -9.490 -4.466 777 2HE2 GLN 96 HE22 GLN 96 -6.723 -9.738 -4.741 778 H TRP 97 HN TRP 97 -7.555 -6.713 1.714 779 HA TRP 97 HA TRP 97 -6.769 -8.391 3.858 780 1HB TRP 97 HB2 TRP 97 -6.887 -5.370 3.832 781 2HB TRP 97 HB1 TRP 97 -5.878 -6.383 4.863 782 HD1 TRP 97 HD1 TRP 97 -5.522 -8.314 2.025 783 HE1 TRP 97 HE1 TRP 97 -3.576 -7.593 0.488 784 HE3 TRP 97 HE3 TRP 97 -4.765 -3.574 3.747 785 HZ2 TRP 97 HZ2 TRP 97 -1.917 -5.293 0.055 786 HZ3 TRP 97 HZ3 TRP 97 -2.999 -2.138 2.763 787 HH2 TRP 97 HH2 TRP 97 -1.578 -2.990 0.920 788 H LEU 98 HN LEU 98 -9.231 -5.847 3.595 789 HA LEU 98 HA LEU 98 -10.165 -6.043 6.262 790 1HB LEU 98 HB2 LEU 98 -11.707 -5.129 3.823 791 2HB LEU 98 HB1 LEU 98 -12.009 -4.689 5.500 792 HG LEU 98 HG LEU 98 -9.618 -3.939 3.810 793 1HD1 LEU 98 HD11 LEU 98 -12.089 -2.699 4.270 794 2HD1 LEU 98 HD12 LEU 98 -10.649 -1.949 3.580 795 3HD1 LEU 98 HD13 LEU 98 -10.954 -1.842 5.314 796 1HD2 LEU 98 HD21 LEU 98 -8.666 -4.426 5.925 797 2HD2 LEU 98 HD22 LEU 98 -10.064 -3.794 6.794 798 3HD2 LEU 98 HD23 LEU 98 -8.961 -2.688 5.974 799 H VAL 99 HN VAL 99 -10.938 -7.711 3.278 800 HA VAL 99 HA VAL 99 -13.354 -8.927 4.108 801 HB VAL 99 HB VAL 99 -11.318 -9.745 2.033 802 1HG1 VAL 99 HG11 VAL 99 -13.854 -11.006 2.977 803 2HG1 VAL 99 HG12 VAL 99 -12.410 -11.761 2.305 804 3HG1 VAL 99 HG13 VAL 99 -13.568 -10.969 1.238 805 1HG2 VAL 99 HG21 VAL 99 -13.112 -7.630 2.107 806 2HG2 VAL 99 HG22 VAL 99 -13.996 -8.872 1.220 807 3HG2 VAL 99 HG23 VAL 99 -12.418 -8.331 0.646 808 H GLN 100 HN GLN 100 -9.977 -9.949 4.330 809 HA GLN 100 HA GLN 100 -9.632 -12.407 4.896 810 1HB GLN 100 HB2 GLN 100 -9.176 -10.248 6.948 811 2HB GLN 100 HB1 GLN 100 -8.635 -11.910 7.197 812 1HG GLN 100 HG2 GLN 100 -7.898 -10.171 4.824 813 2HG GLN 100 HG1 GLN 100 -6.850 -10.506 6.201 814 1HE2 GLN 100 HE21 GLN 100 -6.864 -11.344 3.153 815 2HE2 GLN 100 HE22 GLN 100 -6.539 -13.008 3.231 816 H GLN 101 HN GLN 101 -11.482 -13.653 5.009 817 HA GLN 101 HA GLN 101 -13.429 -13.350 7.095 818 1HB GLN 101 HB2 GLN 101 -12.889 -15.664 5.213 819 2HB GLN 101 HB1 GLN 101 -14.313 -15.499 6.241 820 1HG GLN 101 HG2 GLN 101 -14.911 -13.403 5.094 821 2HG GLN 101 HG1 GLN 101 -13.480 -13.546 4.073 822 1HE2 GLN 101 HE21 GLN 101 -15.594 -13.465 2.510 823 2HE2 GLN 101 HE22 GLN 101 -16.134 -14.997 2.015 824 H GLU 102 HN GLU 102 -10.350 -14.101 7.388 825 HA GLU 102 HA GLU 102 -9.089 -15.613 8.652 826 1HB GLU 102 HB2 GLU 102 -11.167 -14.553 10.581 827 2HB GLU 102 HB1 GLU 102 -9.637 -15.300 11.046 828 1HG GLU 102 HG2 GLU 102 -8.425 -13.555 9.752 829 2HG GLU 102 HG1 GLU 102 -9.967 -12.787 9.381 830 H GLY 103 HN GLY 103 -10.773 -17.170 7.186 831 1HA GLY 103 HA2 GLY 103 -11.839 -19.124 9.137 832 2HA GLY 103 HA1 GLY 103 -12.454 -18.928 7.498 833 H ILE 104 HN ILE 104 -11.937 -20.672 6.343 834 HA ILE 104 HA ILE 104 -9.227 -21.819 6.650 835 HB ILE 104 HB ILE 104 -10.981 -23.402 7.260 836 1HG1 ILE 104 HG12 ILE 104 -9.913 -24.051 4.496 837 2HG1 ILE 104 HG11 ILE 104 -8.954 -24.164 5.972 838 1HG2 ILE 104 HG21 ILE 104 -12.124 -23.651 4.572 839 2HG2 ILE 104 HG22 ILE 104 -12.463 -22.089 5.317 840 3HG2 ILE 104 HG23 ILE 104 -12.940 -23.577 6.134 841 1HD1 ILE 104 HD11 ILE 104 -11.213 -25.554 6.675 842 2HD1 ILE 104 HD12 ILE 104 -9.732 -26.297 6.067 843 3HD1 ILE 104 HD13 ILE 104 -11.065 -25.955 4.963 844 H PHE 105 HN PHE 105 -7.913 -21.861 4.921 845 HA PHE 105 HA PHE 105 -7.739 -20.360 2.823 846 1HB PHE 105 HB2 PHE 105 -7.442 -23.358 2.745 847 2HB PHE 105 HB1 PHE 105 -7.010 -22.339 1.374 848 HD1 PHE 105 HD1 PHE 105 -5.277 -20.543 1.658 849 HD2 PHE 105 HD2 PHE 105 -6.051 -23.493 4.681 850 HE1 PHE 105 HE1 PHE 105 -3.096 -20.024 2.720 851 HE2 PHE 105 HE2 PHE 105 -3.872 -22.973 5.746 852 HZ PHE 105 HZ PHE 105 -2.395 -21.241 4.766 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -6.922 11.104 32.144 2 2H GLY 1 HT2 GLY 1 -6.838 9.829 33.262 3 3H GLY 1 HT3 GLY 1 -7.341 11.371 33.766 4 1HA GLY 1 HA2 GLY 1 -9.054 9.446 33.250 5 2HA GLY 1 HA1 GLY 1 -9.424 11.144 32.946 6 H SER 2 HN SER 2 -6.951 9.702 31.032 7 HA SER 2 HA SER 2 -8.671 9.899 28.665 8 1HB SER 2 HB2 SER 2 -6.652 9.955 27.386 9 2HB SER 2 HB1 SER 2 -6.394 11.004 28.778 10 HG SER 2 HG SER 2 -4.647 9.734 28.797 11 H SER 3 HN SER 3 -5.895 7.781 28.868 12 HA SER 3 HA SER 3 -7.370 5.583 27.768 13 1HB SER 3 HB2 SER 3 -5.289 4.413 27.766 14 2HB SER 3 HB1 SER 3 -4.911 6.089 27.377 15 HG SER 3 HG SER 3 -4.475 6.356 29.655 16 H LEU 4 HN LEU 4 -7.460 3.424 28.777 17 HA LEU 4 HA LEU 4 -7.697 3.587 31.720 18 1HB LEU 4 HB2 LEU 4 -9.921 3.585 30.588 19 2HB LEU 4 HB1 LEU 4 -9.523 2.016 29.887 20 HG LEU 4 HG LEU 4 -9.186 1.115 32.192 21 1HD1 LEU 4 HD11 LEU 4 -8.712 2.801 33.677 22 2HD1 LEU 4 HD12 LEU 4 -10.462 2.784 33.896 23 3HD1 LEU 4 HD13 LEU 4 -9.719 3.972 32.825 24 1HD2 LEU 4 HD21 LEU 4 -11.729 2.113 31.078 25 2HD2 LEU 4 HD22 LEU 4 -11.785 1.769 32.806 26 3HD2 LEU 4 HD23 LEU 4 -11.317 0.502 31.670 27 H SER 5 HN SER 5 -8.454 0.702 29.926 28 HA SER 5 HA SER 5 -6.593 -0.864 31.384 29 1HB SER 5 HB2 SER 5 -7.648 -2.626 30.429 30 2HB SER 5 HB1 SER 5 -8.798 -1.415 29.870 31 HG SER 5 HG SER 5 -7.750 -2.900 28.266 32 HA PRO 6 HA PRO 6 -2.768 -0.307 29.300 33 1HB PRO 6 HB2 PRO 6 -2.164 -3.112 29.132 34 2HB PRO 6 HB1 PRO 6 -1.531 -1.923 30.280 35 1HG PRO 6 HG2 PRO 6 -3.539 -3.962 30.680 36 2HG PRO 6 HG1 PRO 6 -2.708 -2.957 31.872 37 1HD PRO 6 HD2 PRO 6 -5.398 -2.729 31.160 38 2HD PRO 6 HD1 PRO 6 -4.447 -1.488 31.999 39 H GLN 7 HN GLN 7 -1.976 -0.295 27.228 40 HA GLN 7 HA GLN 7 -2.511 -0.193 24.921 41 1HB GLN 7 HB2 GLN 7 -1.769 -3.069 25.500 42 2HB GLN 7 HB1 GLN 7 -1.635 -2.268 23.934 43 1HG GLN 7 HG2 GLN 7 -0.106 -0.586 24.976 44 2HG GLN 7 HG1 GLN 7 -0.169 -1.510 26.475 45 1HE2 GLN 7 HE21 GLN 7 -0.386 -3.809 24.097 46 2HE2 GLN 7 HE22 GLN 7 1.260 -4.176 23.908 47 H ALA 8 HN ALA 8 -3.537 -3.522 25.534 48 HA ALA 8 HA ALA 8 -5.390 -4.672 24.785 49 1HB ALA 8 HB1 ALA 8 -7.568 -3.509 25.421 50 2HB ALA 8 HB2 ALA 8 -6.569 -2.177 26.003 51 3HB ALA 8 HB3 ALA 8 -6.416 -3.777 26.731 52 H LEU 9 HN LEU 9 -4.253 -2.157 23.123 53 HA LEU 9 HA LEU 9 -6.496 -1.704 21.330 54 1HB LEU 9 HB2 LEU 9 -4.850 -0.304 20.079 55 2HB LEU 9 HB1 LEU 9 -5.016 0.162 21.771 56 HG LEU 9 HG LEU 9 -3.034 -1.762 21.864 57 1HD1 LEU 9 HD11 LEU 9 -2.667 -0.049 19.386 58 2HD1 LEU 9 HD12 LEU 9 -2.858 -1.802 19.420 59 3HD1 LEU 9 HD13 LEU 9 -1.415 -1.059 20.110 60 1HD2 LEU 9 HD21 LEU 9 -1.590 0.081 22.419 61 2HD2 LEU 9 HD22 LEU 9 -3.207 0.521 22.968 62 3HD2 LEU 9 HD23 LEU 9 -2.567 1.205 21.474 63 H ALA 10 HN ALA 10 -6.686 -2.433 19.242 64 HA ALA 10 HA ALA 10 -5.579 -4.969 18.617 65 1HB ALA 10 HB1 ALA 10 -6.846 -4.866 16.640 66 2HB ALA 10 HB2 ALA 10 -6.757 -3.106 16.567 67 3HB ALA 10 HB3 ALA 10 -7.775 -3.888 17.776 68 H GLN 11 HN GLN 11 -4.301 -5.451 16.630 69 HA GLN 11 HA GLN 11 -1.987 -3.705 16.546 70 1HB GLN 11 HB2 GLN 11 -2.578 -6.352 15.209 71 2HB GLN 11 HB1 GLN 11 -1.041 -5.493 15.085 72 1HG GLN 11 HG2 GLN 11 -2.324 -6.384 17.685 73 2HG GLN 11 HG1 GLN 11 -1.000 -7.221 16.873 74 1HE2 GLN 11 HE21 GLN 11 0.482 -4.881 16.027 75 2HE2 GLN 11 HE22 GLN 11 1.095 -4.131 17.420 76 HA PRO 12 HA PRO 12 -3.797 -1.577 13.012 77 1HB PRO 12 HB2 PRO 12 -1.315 -0.179 12.622 78 2HB PRO 12 HB1 PRO 12 -2.836 0.446 13.271 79 1HG PRO 12 HG2 PRO 12 -0.432 -0.103 14.666 80 2HG PRO 12 HG1 PRO 12 -1.967 0.480 15.318 81 1HD PRO 12 HD2 PRO 12 -0.784 -2.128 15.621 82 2HD PRO 12 HD1 PRO 12 -2.304 -1.525 16.313 83 H LEU 13 HN LEU 13 -3.233 -1.337 10.703 84 HA LEU 13 HA LEU 13 -1.952 -3.716 9.710 85 1HB LEU 13 HB2 LEU 13 -4.012 -2.539 8.725 86 2HB LEU 13 HB1 LEU 13 -2.873 -1.373 8.060 87 HG LEU 13 HG LEU 13 -2.719 -4.363 7.596 88 1HD1 LEU 13 HD11 LEU 13 -4.383 -4.014 6.113 89 2HD1 LEU 13 HD12 LEU 13 -3.237 -3.037 5.191 90 3HD1 LEU 13 HD13 LEU 13 -4.315 -2.268 6.358 91 1HD2 LEU 13 HD21 LEU 13 -1.306 -3.209 5.607 92 2HD2 LEU 13 HD22 LEU 13 -0.575 -3.687 7.136 93 3HD2 LEU 13 HD23 LEU 13 -1.050 -2.007 6.870 94 H LEU 14 HN LEU 14 0.108 -3.922 9.094 95 HA LEU 14 HA LEU 14 1.764 -1.510 9.063 96 1HB LEU 14 HB2 LEU 14 2.514 -4.442 9.055 97 2HB LEU 14 HB1 LEU 14 3.635 -3.092 9.201 98 HG LEU 14 HG LEU 14 1.482 -3.935 11.147 99 1HD1 LEU 14 HD11 LEU 14 3.181 -4.738 12.402 100 2HD1 LEU 14 HD12 LEU 14 4.169 -3.303 12.124 101 3HD1 LEU 14 HD13 LEU 14 4.162 -4.611 10.941 102 1HD2 LEU 14 HD21 LEU 14 2.433 -1.894 12.459 103 2HD2 LEU 14 HD22 LEU 14 1.253 -1.591 11.182 104 3HD2 LEU 14 HD23 LEU 14 2.971 -1.326 10.878 105 H LEU 15 HN LEU 15 2.105 -0.568 7.212 106 HA LEU 15 HA LEU 15 2.213 -2.193 4.749 107 1HB LEU 15 HB2 LEU 15 0.143 -0.692 5.194 108 2HB LEU 15 HB1 LEU 15 1.230 0.657 4.882 109 HG LEU 15 HG LEU 15 -0.011 -0.041 2.853 110 1HD1 LEU 15 HD11 LEU 15 2.775 -0.876 2.274 111 2HD1 LEU 15 HD12 LEU 15 2.564 0.694 3.043 112 3HD1 LEU 15 HD13 LEU 15 1.786 0.360 1.500 113 1HD2 LEU 15 HD21 LEU 15 -0.069 -2.197 2.096 114 2HD2 LEU 15 HD22 LEU 15 0.313 -2.582 3.772 115 3HD2 LEU 15 HD23 LEU 15 1.601 -2.514 2.569 116 H GLN 16 HN GLN 16 3.948 -1.818 3.395 117 HA GLN 16 HA GLN 16 5.615 0.542 4.002 118 1HB GLN 16 HB2 GLN 16 6.523 -2.319 3.783 119 2HB GLN 16 HB1 GLN 16 7.627 -0.965 3.528 120 1HG GLN 16 HG2 GLN 16 7.005 -0.061 5.751 121 2HG GLN 16 HG1 GLN 16 5.966 -1.464 6.016 122 1HE2 GLN 16 HE21 GLN 16 8.475 -2.687 4.251 123 2HE2 GLN 16 HE22 GLN 16 9.512 -3.158 5.509 124 H LEU 17 HN LEU 17 6.970 1.264 2.304 125 HA LEU 17 HA LEU 17 6.344 0.233 -0.380 126 1HB LEU 17 HB2 LEU 17 4.820 2.121 0.084 127 2HB LEU 17 HB1 LEU 17 6.211 3.147 0.421 128 HG LEU 17 HG LEU 17 7.002 2.352 -1.966 129 1HD1 LEU 17 HD11 LEU 17 4.676 0.929 -1.823 130 2HD1 LEU 17 HD12 LEU 17 5.454 1.399 -3.332 131 3HD1 LEU 17 HD13 LEU 17 4.138 2.372 -2.678 132 1HD2 LEU 17 HD21 LEU 17 4.690 4.297 -1.727 133 2HD2 LEU 17 HD22 LEU 17 5.997 4.330 -2.911 134 3HD2 LEU 17 HD23 LEU 17 6.334 4.677 -1.216 135 H PHE 18 HN PHE 18 8.041 0.215 -1.753 136 HA PHE 18 HA PHE 18 10.613 1.221 -0.732 137 1HB PHE 18 HB2 PHE 18 9.901 -0.773 -2.889 138 2HB PHE 18 HB1 PHE 18 11.546 -0.210 -2.594 139 HD1 PHE 18 HD1 PHE 18 8.756 -2.219 -1.299 140 HD2 PHE 18 HD2 PHE 18 12.714 -0.748 -0.510 141 HE1 PHE 18 HE1 PHE 18 8.994 -3.853 0.550 142 HE2 PHE 18 HE2 PHE 18 12.954 -2.378 1.336 143 HZ PHE 18 HZ PHE 18 11.093 -3.933 1.869 144 H VAL 19 HN VAL 19 11.471 3.033 -1.549 145 HA VAL 19 HA VAL 19 10.790 3.772 -4.324 146 HB VAL 19 HB VAL 19 10.406 6.069 -3.711 147 1HG1 VAL 19 HG11 VAL 19 8.321 5.816 -2.663 148 2HG1 VAL 19 HG12 VAL 19 8.901 4.526 -1.609 149 3HG1 VAL 19 HG13 VAL 19 8.614 4.205 -3.320 150 1HG2 VAL 19 HG21 VAL 19 12.043 6.278 -1.910 151 2HG2 VAL 19 HG22 VAL 19 11.127 5.157 -0.904 152 3HG2 VAL 19 HG23 VAL 19 10.457 6.742 -1.294 153 H ASP 20 HN ASP 20 12.334 5.034 -5.405 154 HA ASP 20 HA ASP 20 15.032 4.924 -4.206 155 1HB ASP 20 HB2 ASP 20 15.906 4.895 -6.453 156 2HB ASP 20 HB1 ASP 20 14.652 3.661 -6.338 157 H THR 21 HN THR 21 12.850 7.015 -3.954 158 HA THR 21 HA THR 21 12.907 9.287 -3.560 159 HB THR 21 HB THR 21 14.903 10.505 -3.685 160 HG1 THR 21 HG1 THR 21 16.048 10.401 -5.418 161 1HG2 THR 21 HG21 THR 21 16.354 7.950 -3.550 162 2HG2 THR 21 HG22 THR 21 14.916 8.014 -2.529 163 3HG2 THR 21 HG23 THR 21 16.191 9.219 -2.335 164 H ARG 22 HN ARG 22 12.614 7.746 -6.408 165 HA ARG 22 HA ARG 22 12.757 9.935 -8.268 166 1HB ARG 22 HB2 ARG 22 11.664 8.432 -9.838 167 2HB ARG 22 HB1 ARG 22 12.923 7.551 -8.976 168 1HG ARG 22 HG2 ARG 22 10.944 6.996 -7.306 169 2HG ARG 22 HG1 ARG 22 9.949 7.341 -8.717 170 1HD ARG 22 HD2 ARG 22 11.776 5.073 -8.211 171 2HD ARG 22 HD1 ARG 22 10.310 5.142 -9.184 172 HE ARG 22 HE ARG 22 12.873 6.285 -10.133 173 1HH1 ARG 22 HH21 ARG 22 11.533 3.344 -10.464 174 2HH1 ARG 22 HH22 ARG 22 11.168 3.434 -12.156 175 1HH2 ARG 22 HH11 ARG 22 11.752 6.845 -12.374 176 2HH2 ARG 22 HH12 ARG 22 11.295 5.413 -13.235 177 HA PRO 23 HA PRO 23 9.042 12.086 -7.236 178 1HB PRO 23 HB2 PRO 23 8.279 12.524 -9.968 179 2HB PRO 23 HB1 PRO 23 9.038 13.665 -8.851 180 1HG PRO 23 HG2 PRO 23 10.206 12.187 -11.040 181 2HG PRO 23 HG1 PRO 23 10.882 13.527 -10.104 182 1HD PRO 23 HD2 PRO 23 11.743 10.875 -9.972 183 2HD PRO 23 HD1 PRO 23 12.074 12.126 -8.756 184 H LEU 24 HN LEU 24 8.921 9.663 -9.821 185 HA LEU 24 HA LEU 24 6.162 9.300 -10.017 186 1HB LEU 24 HB2 LEU 24 7.865 8.275 -11.516 187 2HB LEU 24 HB1 LEU 24 8.292 7.156 -10.219 188 HG LEU 24 HG LEU 24 5.761 6.592 -10.166 189 1HD1 LEU 24 HD11 LEU 24 4.413 7.451 -11.764 190 2HD1 LEU 24 HD12 LEU 24 5.593 7.129 -13.035 191 3HD1 LEU 24 HD13 LEU 24 5.705 8.609 -12.083 192 1HD2 LEU 24 HD21 LEU 24 7.795 5.802 -12.224 193 2HD2 LEU 24 HD22 LEU 24 6.164 5.139 -12.333 194 3HD2 LEU 24 HD23 LEU 24 7.137 4.860 -10.888 195 H SER 25 HN SER 25 8.494 7.763 -7.804 196 HA SER 25 HA SER 25 6.655 6.050 -6.502 197 1HB SER 25 HB2 SER 25 8.368 5.736 -4.862 198 2HB SER 25 HB1 SER 25 9.191 5.926 -6.408 199 HG SER 25 HG SER 25 8.718 8.310 -5.196 200 H GLN 26 HN GLN 26 7.811 9.331 -5.850 201 HA GLN 26 HA GLN 26 6.349 9.729 -3.440 202 1HB GLN 26 HB2 GLN 26 7.356 11.705 -5.509 203 2HB GLN 26 HB1 GLN 26 6.711 12.150 -3.928 204 1HG GLN 26 HG2 GLN 26 8.474 10.861 -2.817 205 2HG GLN 26 HG1 GLN 26 9.098 10.336 -4.379 206 1HE2 GLN 26 HE21 GLN 26 10.360 12.094 -2.208 207 2HE2 GLN 26 HE22 GLN 26 10.826 13.502 -3.036 208 H HIS 27 HN HIS 27 5.718 10.021 -6.833 209 HA HIS 27 HA HIS 27 3.237 11.376 -6.812 210 1HB HIS 27 HB2 HIS 27 4.938 10.552 -8.717 211 2HB HIS 27 HB1 HIS 27 3.796 9.217 -8.793 212 HD1 HIS 27 HD1 HIS 27 1.195 10.917 -8.212 213 HD2 HIS 27 HD2 HIS 27 4.149 11.867 -11.000 214 HE1 HIS 27 HE1 HIS 27 0.096 12.425 -9.930 215 H ILE 28 HN ILE 28 4.052 7.933 -7.069 216 HA ILE 28 HA ILE 28 1.420 6.940 -6.800 217 HB ILE 28 HB ILE 28 4.110 5.652 -6.281 218 1HG1 ILE 28 HG12 ILE 28 2.186 5.488 -8.626 219 2HG1 ILE 28 HG11 ILE 28 3.686 6.419 -8.604 220 1HG2 ILE 28 HG21 ILE 28 1.292 4.629 -6.137 221 2HG2 ILE 28 HG22 ILE 28 2.682 4.215 -5.135 222 3HG2 ILE 28 HG23 ILE 28 2.545 3.561 -6.768 223 1HD1 ILE 28 HD11 ILE 28 4.455 3.881 -7.741 224 2HD1 ILE 28 HD12 ILE 28 4.714 4.554 -9.351 225 3HD1 ILE 28 HD13 ILE 28 3.292 3.563 -9.025 226 H VAL 29 HN VAL 29 3.945 7.741 -4.477 227 HA VAL 29 HA VAL 29 2.901 6.491 -2.206 228 HB VAL 29 HB VAL 29 4.442 9.075 -2.496 229 1HG1 VAL 29 HG11 VAL 29 4.912 8.282 0.047 230 2HG1 VAL 29 HG12 VAL 29 3.247 7.729 -0.131 231 3HG1 VAL 29 HG13 VAL 29 3.643 9.431 -0.376 232 1HG2 VAL 29 HG21 VAL 29 5.185 6.398 -2.814 233 2HG2 VAL 29 HG22 VAL 29 5.707 6.798 -1.178 234 3HG2 VAL 29 HG23 VAL 29 6.280 7.752 -2.543 235 H GLN 30 HN GLN 30 2.196 9.676 -3.607 236 HA GLN 30 HA GLN 30 0.404 10.552 -1.609 237 1HB GLN 30 HB2 GLN 30 0.355 11.153 -4.583 238 2HB GLN 30 HB1 GLN 30 -0.499 12.062 -3.339 239 1HG GLN 30 HG2 GLN 30 2.371 12.088 -4.064 240 2HG GLN 30 HG1 GLN 30 1.358 13.375 -3.417 241 1HE2 GLN 30 HE21 GLN 30 0.768 13.091 -0.998 242 2HE2 GLN 30 HE22 GLN 30 1.959 12.422 0.010 243 H ARG 31 HN ARG 31 -0.086 8.725 -4.610 244 HA ARG 31 HA ARG 31 -2.897 8.496 -4.369 245 1HB ARG 31 HB2 ARG 31 -0.877 6.721 -5.751 246 2HB ARG 31 HB1 ARG 31 -2.625 6.544 -5.910 247 1HG ARG 31 HG2 ARG 31 -2.715 8.957 -6.655 248 2HG ARG 31 HG1 ARG 31 -0.951 8.939 -6.701 249 1HD ARG 31 HD2 ARG 31 -1.047 7.015 -8.278 250 2HD ARG 31 HD1 ARG 31 -2.804 7.145 -8.286 251 HE ARG 31 HE ARG 31 -1.143 9.444 -9.118 252 1HH1 ARG 31 HH11 ARG 31 -2.414 6.707 -10.532 253 2HH1 ARG 31 HH12 ARG 31 -3.432 7.524 -11.672 254 1HH2 ARG 31 HH21 ARG 31 -2.955 10.652 -10.257 255 2HH2 ARG 31 HH22 ARG 31 -3.739 9.755 -11.515 256 H VAL 32 HN VAL 32 -0.212 6.548 -3.146 257 HA VAL 32 HA VAL 32 -1.766 4.404 -2.146 258 HB VAL 32 HB VAL 32 0.919 5.510 -1.296 259 1HG1 VAL 32 HG11 VAL 32 -0.497 2.960 -0.458 260 2HG1 VAL 32 HG12 VAL 32 -0.113 4.327 0.589 261 3HG1 VAL 32 HG13 VAL 32 1.184 3.350 -0.096 262 1HG2 VAL 32 HG21 VAL 32 1.249 2.996 -2.369 263 2HG2 VAL 32 HG22 VAL 32 1.459 4.502 -3.261 264 3HG2 VAL 32 HG23 VAL 32 -0.076 3.636 -3.340 265 H LYS 33 HN LYS 33 -0.447 7.298 -0.522 266 HA LYS 33 HA LYS 33 -1.679 6.841 1.974 267 1HB LYS 33 HB2 LYS 33 -0.747 9.389 0.649 268 2HB LYS 33 HB1 LYS 33 -1.274 9.278 2.323 269 1HG LYS 33 HG2 LYS 33 0.466 7.493 2.680 270 2HG LYS 33 HG1 LYS 33 1.062 7.831 1.055 271 1HD LYS 33 HD2 LYS 33 1.359 10.233 1.735 272 2HD LYS 33 HD1 LYS 33 0.942 9.763 3.382 273 1HE LYS 33 HE2 LYS 33 2.894 7.914 2.583 274 2HE LYS 33 HE1 LYS 33 3.468 9.471 1.983 275 1HZ LYS 33 HZ1 LYS 33 3.244 10.404 4.163 276 2HZ LYS 33 HZ2 LYS 33 4.177 8.988 4.276 277 3HZ LYS 33 HZ3 LYS 33 2.549 8.976 4.762 278 H ASN 34 HN ASN 34 -2.687 8.650 -0.886 279 HA ASN 34 HA ASN 34 -4.992 9.842 0.166 280 1HB ASN 34 HB2 ASN 34 -4.374 8.957 -2.659 281 2HB ASN 34 HB1 ASN 34 -5.702 10.018 -2.204 282 1HD2 ASN 34 HD21 ASN 34 -3.056 10.492 -3.789 283 2HD2 ASN 34 HD22 ASN 34 -2.394 11.867 -3.044 284 H ILE 35 HN ILE 35 -4.587 6.725 -1.517 285 HA ILE 35 HA ILE 35 -7.348 6.046 -1.460 286 HB ILE 35 HB ILE 35 -4.898 4.305 -1.715 287 1HG1 ILE 35 HG12 ILE 35 -6.889 5.225 -3.808 288 2HG1 ILE 35 HG11 ILE 35 -5.366 6.054 -3.498 289 1HG2 ILE 35 HG21 ILE 35 -6.833 2.855 -2.856 290 2HG2 ILE 35 HG22 ILE 35 -7.827 3.719 -1.683 291 3HG2 ILE 35 HG23 ILE 35 -6.478 2.725 -1.134 292 1HD1 ILE 35 HD11 ILE 35 -4.223 4.533 -4.706 293 2HD1 ILE 35 HD12 ILE 35 -5.771 3.843 -5.192 294 3HD1 ILE 35 HD13 ILE 35 -4.925 3.204 -3.782 295 H LEU 36 HN LEU 36 -4.614 4.989 0.590 296 HA LEU 36 HA LEU 36 -6.111 3.354 2.314 297 1HB LEU 36 HB2 LEU 36 -3.610 4.971 2.870 298 2HB LEU 36 HB1 LEU 36 -4.247 3.713 3.929 299 HG LEU 36 HG LEU 36 -3.490 3.277 1.026 300 1HD1 LEU 36 HD11 LEU 36 -1.492 3.769 2.339 301 2HD1 LEU 36 HD12 LEU 36 -1.547 2.040 1.992 302 3HD1 LEU 36 HD13 LEU 36 -2.001 2.633 3.590 303 1HD2 LEU 36 HD21 LEU 36 -4.737 1.411 1.336 304 2HD2 LEU 36 HD22 LEU 36 -4.881 1.710 3.069 305 3HD2 LEU 36 HD23 LEU 36 -3.468 0.869 2.434 306 H ALA 37 HN ALA 37 -5.344 6.800 2.449 307 HA ALA 37 HA ALA 37 -6.700 7.283 4.922 308 1HB ALA 37 HB1 ALA 37 -6.156 9.317 2.755 309 2HB ALA 37 HB2 ALA 37 -4.897 8.742 3.849 310 3HB ALA 37 HB3 ALA 37 -6.304 9.590 4.491 311 H ALA 38 HN ALA 38 -7.752 6.513 1.845 312 HA ALA 38 HA ALA 38 -10.160 8.117 1.828 313 1HB ALA 38 HB1 ALA 38 -8.824 7.197 -0.211 314 2HB ALA 38 HB2 ALA 38 -10.587 7.192 -0.274 315 3HB ALA 38 HB3 ALA 38 -9.712 5.706 0.096 316 H VAL 39 HN VAL 39 -9.245 5.652 3.705 317 HA VAL 39 HA VAL 39 -12.001 4.820 4.144 318 HB VAL 39 HB VAL 39 -10.936 3.214 2.495 319 1HG1 VAL 39 HG11 VAL 39 -9.544 1.810 4.668 320 2HG1 VAL 39 HG12 VAL 39 -8.801 3.349 4.239 321 3HG1 VAL 39 HG13 VAL 39 -9.027 2.107 3.009 322 1HG2 VAL 39 HG21 VAL 39 -11.969 2.313 5.194 323 2HG2 VAL 39 HG22 VAL 39 -11.677 1.184 3.872 324 3HG2 VAL 39 HG23 VAL 39 -12.869 2.470 3.685 325 H GLU 40 HN GLU 40 -8.670 4.993 5.206 326 HA GLU 40 HA GLU 40 -7.706 4.524 7.263 327 1HB GLU 40 HB2 GLU 40 -8.815 6.885 7.177 328 2HB GLU 40 HB1 GLU 40 -9.957 6.193 8.331 329 1HG GLU 40 HG2 GLU 40 -8.239 7.127 9.667 330 2HG GLU 40 HG1 GLU 40 -7.905 5.397 9.633 331 H ALA 41 HN ALA 41 -11.000 4.914 8.500 332 HA ALA 41 HA ALA 41 -12.442 3.363 9.457 333 1HB ALA 41 HB1 ALA 41 -10.387 1.195 9.279 334 2HB ALA 41 HB2 ALA 41 -11.208 1.727 7.813 335 3HB ALA 41 HB3 ALA 41 -12.143 1.084 9.163 336 H THR 42 HN THR 42 -12.135 1.561 11.376 337 HA THR 42 HA THR 42 -11.019 3.082 13.542 338 HB THR 42 HB THR 42 -11.827 1.259 14.956 339 HG1 THR 42 HG1 THR 42 -11.524 -0.112 12.674 340 1HG2 THR 42 HG21 THR 42 -13.690 2.523 14.624 341 2HG2 THR 42 HG22 THR 42 -14.226 1.140 13.673 342 3HG2 THR 42 HG23 THR 42 -13.493 2.529 12.871 343 H VAL 43 HN VAL 43 -9.662 1.007 11.305 344 HA VAL 43 HA VAL 43 -7.436 0.346 13.127 345 HB VAL 43 HB VAL 43 -7.087 -1.552 11.399 346 1HG1 VAL 43 HG11 VAL 43 -9.509 -1.735 13.200 347 2HG1 VAL 43 HG12 VAL 43 -7.858 -1.723 13.821 348 3HG1 VAL 43 HG13 VAL 43 -8.394 -3.029 12.763 349 1HG2 VAL 43 HG21 VAL 43 -9.090 -0.386 10.061 350 2HG2 VAL 43 HG22 VAL 43 -10.051 -1.450 11.087 351 3HG2 VAL 43 HG23 VAL 43 -8.832 -2.130 10.008 352 HA PRO 44 HA PRO 44 -6.098 3.275 9.694 353 1HB PRO 44 HB2 PRO 44 -3.969 4.051 11.462 354 2HB PRO 44 HB1 PRO 44 -5.338 5.022 10.905 355 1HG PRO 44 HG2 PRO 44 -4.918 3.746 13.462 356 2HG PRO 44 HG1 PRO 44 -6.137 4.933 12.988 357 1HD PRO 44 HD2 PRO 44 -6.632 2.255 13.551 358 2HD PRO 44 HD1 PRO 44 -7.723 3.325 12.651 359 H ILE 45 HN ILE 45 -4.281 3.074 8.352 360 HA ILE 45 HA ILE 45 -2.675 0.651 8.811 361 HB ILE 45 HB ILE 45 -3.007 2.315 6.303 362 1HG1 ILE 45 HG12 ILE 45 -4.100 -0.171 5.846 363 2HG1 ILE 45 HG11 ILE 45 -4.577 0.136 7.516 364 1HG2 ILE 45 HG21 ILE 45 -2.157 -0.282 5.692 365 2HG2 ILE 45 HG22 ILE 45 -1.189 0.175 7.096 366 3HG2 ILE 45 HG23 ILE 45 -1.169 1.179 5.643 367 1HD1 ILE 45 HD11 ILE 45 -4.964 2.160 5.298 368 2HD1 ILE 45 HD12 ILE 45 -5.668 2.186 6.914 369 3HD1 ILE 45 HD13 ILE 45 -6.198 0.981 5.741 370 H SER 46 HN SER 46 -0.453 0.697 8.883 371 HA SER 46 HA SER 46 0.754 3.364 9.197 372 1HB SER 46 HB2 SER 46 1.000 1.670 11.033 373 2HB SER 46 HB1 SER 46 1.911 0.660 9.916 374 HG SER 46 HG SER 46 3.133 2.159 11.323 375 H LEU 47 HN LEU 47 1.594 4.140 7.365 376 HA LEU 47 HA LEU 47 2.744 2.274 5.412 377 1HB LEU 47 HB2 LEU 47 1.032 4.220 4.916 378 2HB LEU 47 HB1 LEU 47 2.488 5.213 4.915 379 HG LEU 47 HG LEU 47 1.815 2.883 3.112 380 1HD1 LEU 47 HD11 LEU 47 2.720 5.728 2.601 381 2HD1 LEU 47 HD12 LEU 47 1.070 5.129 2.435 382 3HD1 LEU 47 HD13 LEU 47 2.338 4.537 1.359 383 1HD2 LEU 47 HD21 LEU 47 4.512 4.115 3.715 384 2HD2 LEU 47 HD22 LEU 47 4.177 3.307 2.184 385 3HD2 LEU 47 HD23 LEU 47 4.077 2.405 3.694 386 H GLN 48 HN GLN 48 4.880 2.022 5.285 387 HA GLN 48 HA GLN 48 6.607 4.192 6.298 388 1HB GLN 48 HB2 GLN 48 6.411 1.467 7.204 389 2HB GLN 48 HB1 GLN 48 8.005 1.734 6.495 390 1HG GLN 48 HG2 GLN 48 8.296 2.385 8.736 391 2HG GLN 48 HG1 GLN 48 8.031 3.916 7.906 392 1HE2 GLN 48 HE21 GLN 48 5.764 1.356 9.082 393 2HE2 GLN 48 HE22 GLN 48 4.801 2.426 9.979 394 H VAL 49 HN VAL 49 8.145 4.859 4.934 395 HA VAL 49 HA VAL 49 8.376 3.464 2.359 396 HB VAL 49 HB VAL 49 9.460 6.186 3.101 397 1HG1 VAL 49 HG11 VAL 49 10.180 6.321 0.958 398 2HG1 VAL 49 HG12 VAL 49 8.734 5.534 0.326 399 3HG1 VAL 49 HG13 VAL 49 10.057 4.561 0.970 400 1HG2 VAL 49 HG21 VAL 49 6.962 6.022 3.328 401 2HG2 VAL 49 HG22 VAL 49 6.885 5.495 1.648 402 3HG2 VAL 49 HG23 VAL 49 7.470 7.114 2.041 403 H ILE 50 HN ILE 50 10.195 2.505 1.710 404 HA ILE 50 HA ILE 50 12.545 2.707 3.491 405 HB ILE 50 HB ILE 50 11.864 0.412 1.644 406 1HG1 ILE 50 HG12 ILE 50 11.293 0.744 4.605 407 2HG1 ILE 50 HG11 ILE 50 10.084 0.668 3.328 408 1HG2 ILE 50 HG21 ILE 50 14.245 0.932 2.606 409 2HG2 ILE 50 HG22 ILE 50 13.620 -0.713 2.715 410 3HG2 ILE 50 HG23 ILE 50 13.566 0.346 4.124 411 1HD1 ILE 50 HD11 ILE 50 11.146 -1.506 4.743 412 2HD1 ILE 50 HD12 ILE 50 11.914 -1.579 3.157 413 3HD1 ILE 50 HD13 ILE 50 10.156 -1.582 3.287 414 H ASN 51 HN ASN 51 14.233 3.732 2.584 415 HA ASN 51 HA ASN 51 14.191 4.311 -0.249 416 1HB ASN 51 HB2 ASN 51 14.981 5.940 1.520 417 2HB ASN 51 HB1 ASN 51 16.400 4.916 1.730 418 1HD2 ASN 51 HD21 ASN 51 14.717 5.696 -1.345 419 2HD2 ASN 51 HD22 ASN 51 16.055 6.460 -2.058 420 H VAL 52 HN VAL 52 14.648 2.579 -1.502 421 HA VAL 52 HA VAL 52 16.244 0.391 -0.819 422 HB VAL 52 HB VAL 52 16.226 -0.170 -3.179 423 1HG1 VAL 52 HG11 VAL 52 14.091 -0.730 -2.690 424 2HG1 VAL 52 HG12 VAL 52 13.618 0.795 -3.439 425 3HG1 VAL 52 HG13 VAL 52 13.871 0.710 -1.695 426 1HG2 VAL 52 HG21 VAL 52 15.848 2.769 -3.419 427 2HG2 VAL 52 HG22 VAL 52 14.941 1.775 -4.559 428 3HG2 VAL 52 HG23 VAL 52 16.700 1.655 -4.487 429 H ALA 53 HN ALA 53 17.159 3.557 -1.805 430 HA ALA 53 HA ALA 53 19.762 2.889 -2.801 431 1HB ALA 53 HB1 ALA 53 20.058 5.461 -2.215 432 2HB ALA 53 HB2 ALA 53 18.298 5.398 -2.104 433 3HB ALA 53 HB3 ALA 53 19.104 4.947 -3.607 434 H ASP 54 HN ASP 54 18.394 3.049 0.322 435 HA ASP 54 HA ASP 54 20.997 3.596 1.549 436 1HB ASP 54 HB2 ASP 54 18.238 3.412 2.771 437 2HB ASP 54 HB1 ASP 54 19.715 3.788 3.654 438 H GLN 55 HN GLN 55 18.343 1.224 1.671 439 HA GLN 55 HA GLN 55 20.324 -0.801 2.455 440 1HB GLN 55 HB2 GLN 55 18.924 -1.629 4.229 441 2HB GLN 55 HB1 GLN 55 19.182 0.100 4.466 442 1HG GLN 55 HG2 GLN 55 16.685 -1.339 3.655 443 2HG GLN 55 HG1 GLN 55 16.898 -0.022 4.800 444 1HE2 GLN 55 HE21 GLN 55 16.625 -0.761 1.327 445 2HE2 GLN 55 HE22 GLN 55 16.327 0.840 0.847 446 HA PRO 56 HA PRO 56 17.638 -2.403 -0.921 447 1HB PRO 56 HB2 PRO 56 20.028 -3.456 -2.114 448 2HB PRO 56 HB1 PRO 56 18.985 -2.158 -2.718 449 1HG PRO 56 HG2 PRO 56 21.569 -1.849 -1.802 450 2HG PRO 56 HG1 PRO 56 20.370 -0.557 -1.951 451 1HD PRO 56 HD2 PRO 56 21.293 -1.994 0.491 452 2HD PRO 56 HD1 PRO 56 20.693 -0.331 0.316 453 H GLN 57 HN GLN 57 19.540 -3.707 1.484 454 HA GLN 57 HA GLN 57 19.831 -6.404 0.726 455 1HB GLN 57 HB2 GLN 57 20.982 -5.280 2.651 456 2HB GLN 57 HB1 GLN 57 19.462 -5.369 3.542 457 1HG GLN 57 HG2 GLN 57 19.458 -7.853 3.158 458 2HG GLN 57 HG1 GLN 57 21.066 -7.698 2.452 459 1HE2 GLN 57 HE21 GLN 57 21.167 -9.298 4.581 460 2HE2 GLN 57 HE22 GLN 57 21.712 -8.505 5.979 461 H LEU 58 HN LEU 58 17.201 -4.819 2.588 462 HA LEU 58 HA LEU 58 15.788 -7.296 2.869 463 1HB LEU 58 HB2 LEU 58 13.847 -5.534 3.385 464 2HB LEU 58 HB1 LEU 58 15.086 -5.947 4.565 465 HG LEU 58 HG LEU 58 16.385 -3.995 3.965 466 1HD1 LEU 58 HD11 LEU 58 15.084 -2.400 2.280 467 2HD1 LEU 58 HD12 LEU 58 14.448 -3.937 1.693 468 3HD1 LEU 58 HD13 LEU 58 16.186 -3.646 1.697 469 1HD2 LEU 58 HD21 LEU 58 13.440 -3.308 4.236 470 2HD2 LEU 58 HD22 LEU 58 14.780 -2.215 4.583 471 3HD2 LEU 58 HD23 LEU 58 14.540 -3.657 5.568 472 H VAL 59 HN VAL 59 16.004 -4.887 0.401 473 HA VAL 59 HA VAL 59 13.501 -5.256 -0.879 474 HB VAL 59 HB VAL 59 16.169 -4.590 -2.156 475 1HG1 VAL 59 HG11 VAL 59 13.314 -4.017 -2.988 476 2HG1 VAL 59 HG12 VAL 59 14.369 -5.218 -3.722 477 3HG1 VAL 59 HG13 VAL 59 14.761 -3.507 -3.857 478 1HG2 VAL 59 HG21 VAL 59 15.651 -3.057 -0.300 479 2HG2 VAL 59 HG22 VAL 59 14.037 -2.794 -0.950 480 3HG2 VAL 59 HG23 VAL 59 15.452 -2.234 -1.844 481 H GLU 60 HN GLU 60 16.672 -6.831 -1.333 482 HA GLU 60 HA GLU 60 15.715 -8.679 -3.313 483 1HB GLU 60 HB2 GLU 60 18.175 -8.673 -1.546 484 2HB GLU 60 HB1 GLU 60 17.859 -9.902 -2.773 485 1HG GLU 60 HG2 GLU 60 17.723 -8.145 -4.499 486 2HG GLU 60 HG1 GLU 60 18.059 -6.919 -3.280 487 H TYR 61 HN TYR 61 15.965 -8.662 0.182 488 HA TYR 61 HA TYR 61 15.548 -11.371 0.738 489 1HB TYR 61 HB2 TYR 61 16.096 -9.734 2.480 490 2HB TYR 61 HB1 TYR 61 14.531 -8.952 2.246 491 HD1 TYR 61 HD1 TYR 61 12.646 -9.684 3.414 492 HD2 TYR 61 HD2 TYR 61 16.074 -12.252 3.098 493 HE1 TYR 61 HE1 TYR 61 11.583 -11.297 4.972 494 HE2 TYR 61 HE2 TYR 61 15.014 -13.863 4.657 495 HH TYR 61 HH TYR 61 12.422 -14.375 5.285 496 H TYR 62 HN TYR 62 13.262 -8.777 0.036 497 HA TYR 62 HA TYR 62 10.964 -10.539 0.236 498 1HB TYR 62 HB2 TYR 62 11.281 -7.667 -0.662 499 2HB TYR 62 HB1 TYR 62 9.739 -8.500 -0.532 500 HD1 TYR 62 HD1 TYR 62 11.717 -6.231 1.082 501 HD2 TYR 62 HD2 TYR 62 9.653 -9.911 1.879 502 HE1 TYR 62 HE1 TYR 62 11.641 -5.662 3.490 503 HE2 TYR 62 HE2 TYR 62 9.577 -9.344 4.292 504 HH TYR 62 HH TYR 62 10.112 -6.308 5.488 505 H ARG 63 HN ARG 63 13.328 -10.644 -1.796 506 HA ARG 63 HA ARG 63 13.618 -11.266 -3.985 507 1HB ARG 63 HB2 ARG 63 10.634 -11.743 -3.871 508 2HB ARG 63 HB1 ARG 63 11.743 -12.383 -5.087 509 1HG ARG 63 HG2 ARG 63 13.001 -13.526 -3.238 510 2HG ARG 63 HG1 ARG 63 11.738 -13.006 -2.121 511 1HD ARG 63 HD2 ARG 63 10.114 -14.113 -3.832 512 2HD ARG 63 HD1 ARG 63 11.555 -14.946 -4.406 513 HE ARG 63 HE ARG 63 11.650 -15.388 -1.733 514 1HH1 ARG 63 HH11 ARG 63 8.619 -14.951 -1.851 515 2HH1 ARG 63 HH12 ARG 63 8.050 -16.576 -2.037 516 1HH2 ARG 63 HH21 ARG 63 11.146 -17.841 -2.949 517 2HH2 ARG 63 HH22 ARG 63 9.481 -18.212 -2.651 518 H LEU 64 HN LEU 64 12.071 -8.682 -2.908 519 HA LEU 64 HA LEU 64 10.789 -7.500 -5.119 520 1HB LEU 64 HB2 LEU 64 10.843 -6.846 -2.603 521 2HB LEU 64 HB1 LEU 64 12.308 -5.967 -3.016 522 HG LEU 64 HG LEU 64 10.333 -4.515 -3.113 523 1HD1 LEU 64 HD11 LEU 64 11.040 -4.906 -5.983 524 2HD1 LEU 64 HD12 LEU 64 12.354 -4.570 -4.853 525 3HD1 LEU 64 HD13 LEU 64 11.021 -3.429 -5.021 526 1HD2 LEU 64 HD21 LEU 64 8.413 -5.062 -4.221 527 2HD2 LEU 64 HD22 LEU 64 9.013 -6.710 -4.026 528 3HD2 LEU 64 HD23 LEU 64 9.280 -5.844 -5.542 529 H VAL 65 HN VAL 65 11.599 -6.507 -6.909 530 HA VAL 65 HA VAL 65 14.420 -5.692 -6.930 531 HB VAL 65 HB VAL 65 13.208 -7.551 -8.986 532 1HG1 VAL 65 HG11 VAL 65 14.686 -6.173 -10.191 533 2HG1 VAL 65 HG12 VAL 65 15.710 -7.530 -9.717 534 3HG1 VAL 65 HG13 VAL 65 15.793 -6.010 -8.827 535 1HG2 VAL 65 HG21 VAL 65 13.813 -8.998 -7.287 536 2HG2 VAL 65 HG22 VAL 65 15.020 -7.891 -6.634 537 3HG2 VAL 65 HG23 VAL 65 15.379 -8.832 -8.082 538 H VAL 66 HN VAL 66 11.211 -5.087 -7.770 539 HA VAL 66 HA VAL 66 12.021 -3.120 -9.804 540 HB VAL 66 HB VAL 66 9.602 -3.185 -10.448 541 1HG1 VAL 66 HG11 VAL 66 9.890 -5.040 -11.841 542 2HG1 VAL 66 HG12 VAL 66 10.709 -5.973 -10.588 543 3HG1 VAL 66 HG13 VAL 66 11.553 -4.653 -11.398 544 1HG2 VAL 66 HG21 VAL 66 9.063 -4.233 -8.094 545 2HG2 VAL 66 HG22 VAL 66 9.388 -5.756 -8.922 546 3HG2 VAL 66 HG23 VAL 66 8.106 -4.693 -9.502 547 H THR 67 HN THR 67 11.416 -1.000 -9.557 548 HA THR 67 HA THR 67 9.852 -0.304 -7.171 549 HB THR 67 HB THR 67 11.466 1.608 -6.778 550 HG1 THR 67 HG1 THR 67 12.526 1.559 -8.752 551 1HG2 THR 67 HG21 THR 67 11.871 -1.270 -6.265 552 2HG2 THR 67 HG22 THR 67 11.880 0.089 -5.141 553 3HG2 THR 67 HG23 THR 67 13.325 -0.287 -6.079 554 HA PRO 68 HA PRO 68 9.304 1.715 -6.258 555 1HB PRO 68 HB2 PRO 68 6.589 2.647 -6.460 556 2HB PRO 68 HB1 PRO 68 8.019 3.547 -5.936 557 1HG PRO 68 HG2 PRO 68 6.584 3.968 -8.277 558 2HG PRO 68 HG1 PRO 68 8.202 4.584 -7.915 559 1HD PRO 68 HD2 PRO 68 7.405 2.335 -9.676 560 2HD PRO 68 HD1 PRO 68 8.862 3.351 -9.727 561 H ALA 69 HN ALA 69 8.010 0.518 -4.723 562 HA ALA 69 HA ALA 69 6.020 -1.345 -5.798 563 1HB ALA 69 HB1 ALA 69 7.233 -3.273 -4.724 564 2HB ALA 69 HB2 ALA 69 8.623 -2.208 -4.512 565 3HB ALA 69 HB3 ALA 69 8.052 -2.599 -6.134 566 H LEU 70 HN LEU 70 4.779 -2.375 -4.113 567 HA LEU 70 HA LEU 70 5.101 -1.177 -1.433 568 1HB LEU 70 HB2 LEU 70 3.184 -0.250 -2.895 569 2HB LEU 70 HB1 LEU 70 2.416 -1.815 -2.638 570 HG LEU 70 HG LEU 70 3.457 -0.145 -0.348 571 1HD1 LEU 70 HD11 LEU 70 0.645 -0.008 -0.407 572 2HD1 LEU 70 HD12 LEU 70 1.169 0.360 -2.049 573 3HD1 LEU 70 HD13 LEU 70 1.778 1.312 -0.696 574 1HD2 LEU 70 HD21 LEU 70 1.901 -2.653 -0.696 575 2HD2 LEU 70 HD22 LEU 70 1.367 -1.576 0.588 576 3HD2 LEU 70 HD23 LEU 70 3.017 -2.187 0.584 577 H VAL 71 HN VAL 71 5.065 -2.596 0.235 578 HA VAL 71 HA VAL 71 4.076 -5.319 -0.327 579 HB VAL 71 HB VAL 71 6.578 -4.604 1.212 580 1HG1 VAL 71 HG11 VAL 71 5.407 -7.304 0.467 581 2HG1 VAL 71 HG12 VAL 71 5.353 -6.591 2.079 582 3HG1 VAL 71 HG13 VAL 71 6.902 -7.028 1.360 583 1HG2 VAL 71 HG21 VAL 71 7.448 -4.520 -0.893 584 2HG2 VAL 71 HG22 VAL 71 6.024 -5.278 -1.606 585 3HG2 VAL 71 HG23 VAL 71 7.276 -6.275 -0.867 586 H LYS 72 HN LYS 72 2.666 -6.099 1.079 587 HA LYS 72 HA LYS 72 2.153 -4.634 3.575 588 1HB LYS 72 HB2 LYS 72 0.275 -5.314 1.984 589 2HB LYS 72 HB1 LYS 72 0.583 -6.978 2.483 590 1HG LYS 72 HG2 LYS 72 0.421 -5.947 4.915 591 2HG LYS 72 HG1 LYS 72 -0.500 -4.687 4.090 592 1HD LYS 72 HD2 LYS 72 -1.862 -6.594 3.040 593 2HD LYS 72 HD1 LYS 72 -1.101 -7.641 4.240 594 1HE LYS 72 HE2 LYS 72 -2.358 -5.097 5.187 595 2HE LYS 72 HE1 LYS 72 -3.416 -6.440 4.756 596 1HZ LYS 72 HZ1 LYS 72 -1.326 -6.333 6.835 597 2HZ LYS 72 HZ2 LYS 72 -1.856 -7.820 6.207 598 3HZ LYS 72 HZ3 LYS 72 -2.953 -6.784 6.988 599 H ILE 73 HN ILE 73 2.655 -5.453 5.547 600 HA ILE 73 HA ILE 73 3.925 -8.113 5.559 601 HB ILE 73 HB ILE 73 4.682 -7.092 7.921 602 1HG1 ILE 73 HG12 ILE 73 3.288 -4.997 7.132 603 2HG1 ILE 73 HG11 ILE 73 4.834 -4.766 7.945 604 1HG2 ILE 73 HG21 ILE 73 5.786 -6.948 5.150 605 2HG2 ILE 73 HG22 ILE 73 6.418 -7.783 6.569 606 3HG2 ILE 73 HG23 ILE 73 6.623 -6.039 6.409 607 1HD1 ILE 73 HD11 ILE 73 4.283 -3.551 5.631 608 2HD1 ILE 73 HD12 ILE 73 4.852 -5.084 4.972 609 3HD1 ILE 73 HD13 ILE 73 5.909 -4.120 6.002 610 H GLY 74 HN GLY 74 1.149 -6.417 6.737 611 1HA GLY 74 HA2 GLY 74 -0.439 -8.335 7.527 612 2HA GLY 74 HA1 GLY 74 0.729 -8.438 8.838 613 HA PRO 75 HA PRO 75 -0.637 -8.925 10.448 614 1HB PRO 75 HB2 PRO 75 -3.441 -8.924 11.082 615 2HB PRO 75 HB1 PRO 75 -2.067 -8.898 12.193 616 1HG PRO 75 HG2 PRO 75 -3.863 -6.809 11.649 617 2HG PRO 75 HG1 PRO 75 -2.390 -6.738 12.622 618 1HD PRO 75 HD2 PRO 75 -2.876 -5.642 9.966 619 2HD PRO 75 HD1 PRO 75 -1.498 -5.369 11.053 620 H GLY 76 HN GLY 76 -1.283 -10.919 9.597 621 1HA GLY 76 HA2 GLY 76 -2.881 -12.227 8.269 622 2HA GLY 76 HA1 GLY 76 -3.081 -10.805 7.246 623 H SER 77 HN SER 77 -2.526 -12.366 5.501 624 HA SER 77 HA SER 77 0.129 -13.442 5.361 625 1HB SER 77 HB2 SER 77 -1.418 -14.645 4.096 626 2HB SER 77 HB1 SER 77 -2.143 -13.193 3.411 627 HG SER 77 HG SER 77 -0.608 -13.123 1.952 628 H ARG 78 HN ARG 78 1.675 -12.906 3.680 629 HA ARG 78 HA ARG 78 2.107 -10.032 3.551 630 1HB ARG 78 HB2 ARG 78 3.950 -11.665 4.038 631 2HB ARG 78 HB1 ARG 78 3.803 -12.244 2.377 632 1HG ARG 78 HG2 ARG 78 4.169 -9.877 1.599 633 2HG ARG 78 HG1 ARG 78 4.517 -9.439 3.271 634 1HD ARG 78 HD2 ARG 78 6.017 -11.481 1.612 635 2HD ARG 78 HD1 ARG 78 6.603 -9.887 2.073 636 HE ARG 78 HE ARG 78 6.786 -10.662 4.335 637 1HH1 ARG 78 HH11 ARG 78 7.701 -12.932 2.233 638 2HH1 ARG 78 HH12 ARG 78 7.258 -14.327 3.160 639 1HH2 ARG 78 HH21 ARG 78 5.392 -12.529 5.465 640 2HH2 ARG 78 HH22 ARG 78 5.946 -14.098 4.989 641 H GLN 79 HN GLN 79 2.237 -8.801 1.684 642 HA GLN 79 HA GLN 79 1.485 -10.083 -0.859 643 1HB GLN 79 HB2 GLN 79 0.158 -7.629 0.320 644 2HB GLN 79 HB1 GLN 79 -0.082 -8.212 -1.326 645 1HG GLN 79 HG2 GLN 79 -0.495 -10.131 0.931 646 2HG GLN 79 HG1 GLN 79 -1.737 -8.922 0.624 647 1HE2 GLN 79 HE21 GLN 79 0.075 -9.887 -2.171 648 2HE2 GLN 79 HE22 GLN 79 -1.103 -10.910 -2.838 649 H VAL 80 HN VAL 80 2.295 -9.047 -2.695 650 HA VAL 80 HA VAL 80 4.067 -6.735 -2.191 651 HB VAL 80 HB VAL 80 4.671 -9.104 -3.978 652 1HG1 VAL 80 HG11 VAL 80 5.928 -6.432 -3.518 653 2HG1 VAL 80 HG12 VAL 80 5.831 -7.387 -4.997 654 3HG1 VAL 80 HG13 VAL 80 7.000 -7.814 -3.747 655 1HG2 VAL 80 HG21 VAL 80 6.313 -9.730 -2.339 656 2HG2 VAL 80 HG22 VAL 80 4.805 -9.475 -1.462 657 3HG2 VAL 80 HG23 VAL 80 6.062 -8.240 -1.429 658 H LEU 81 HN LEU 81 3.468 -5.053 -3.362 659 HA LEU 81 HA LEU 81 2.193 -5.523 -5.994 660 1HB LEU 81 HB2 LEU 81 1.782 -3.046 -4.339 661 2HB LEU 81 HB1 LEU 81 0.783 -3.674 -5.650 662 HG LEU 81 HG LEU 81 1.150 -5.051 -2.972 663 1HD1 LEU 81 HD11 LEU 81 -0.252 -2.733 -3.444 664 2HD1 LEU 81 HD12 LEU 81 -0.613 -3.886 -2.159 665 3HD1 LEU 81 HD13 LEU 81 -1.483 -3.969 -3.690 666 1HD2 LEU 81 HD21 LEU 81 -0.994 -5.527 -5.051 667 2HD2 LEU 81 HD22 LEU 81 -0.547 -6.553 -3.688 668 3HD2 LEU 81 HD23 LEU 81 0.523 -6.420 -5.073 669 H SER 82 HN SER 82 3.272 -4.702 -7.710 670 HA SER 82 HA SER 82 4.852 -2.293 -7.411 671 1HB SER 82 HB2 SER 82 6.438 -3.985 -6.637 672 2HB SER 82 HB1 SER 82 6.218 -4.892 -8.127 673 HG SER 82 HG SER 82 7.136 -3.226 -9.255 674 H GLY 83 HN GLY 83 5.964 -1.720 -9.432 675 1HA GLY 83 HA2 GLY 83 6.104 -1.617 -11.774 676 2HA GLY 83 HA1 GLY 83 4.925 -2.914 -11.880 677 H ILE 84 HN ILE 84 5.002 0.389 -10.581 678 HA ILE 84 HA ILE 84 3.389 2.029 -10.561 679 HB ILE 84 HB ILE 84 2.995 2.936 -12.721 680 1HG1 ILE 84 HG12 ILE 84 3.734 0.234 -13.891 681 2HG1 ILE 84 HG11 ILE 84 2.074 0.800 -13.711 682 1HG2 ILE 84 HG21 ILE 84 5.465 1.638 -13.552 683 2HG2 ILE 84 HG22 ILE 84 5.509 2.074 -11.844 684 3HG2 ILE 84 HG23 ILE 84 5.192 3.310 -13.063 685 1HD1 ILE 84 HD11 ILE 84 2.650 1.392 -15.931 686 2HD1 ILE 84 HD12 ILE 84 4.260 1.934 -15.457 687 3HD1 ILE 84 HD13 ILE 84 2.842 2.889 -15.019 688 H ASP 85 HN ASP 85 2.379 -1.029 -10.789 689 HA ASP 85 HA ASP 85 -0.422 -0.368 -11.427 690 1HB ASP 85 HB2 ASP 85 -0.799 -2.770 -11.500 691 2HB ASP 85 HB1 ASP 85 0.590 -2.373 -12.512 692 H LEU 86 HN LEU 86 1.467 -0.025 -8.938 693 HA LEU 86 HA LEU 86 0.553 -1.432 -6.755 694 1HB LEU 86 HB2 LEU 86 1.486 1.431 -6.980 695 2HB LEU 86 HB1 LEU 86 1.229 0.602 -5.449 696 HG LEU 86 HG LEU 86 2.793 -1.231 -6.404 697 1HD1 LEU 86 HD11 LEU 86 4.525 0.135 -7.933 698 2HD1 LEU 86 HD12 LEU 86 3.044 0.956 -8.421 699 3HD1 LEU 86 HD13 LEU 86 3.196 -0.789 -8.629 700 1HD2 LEU 86 HD21 LEU 86 3.276 1.238 -5.020 701 2HD2 LEU 86 HD22 LEU 86 4.659 0.896 -6.058 702 3HD2 LEU 86 HD23 LEU 86 4.139 -0.292 -4.864 703 H THR 87 HN THR 87 -0.795 1.592 -8.099 704 HA THR 87 HA THR 87 -2.765 1.899 -6.090 705 HB THR 87 HB THR 87 -3.832 3.482 -7.688 706 HG1 THR 87 HG1 THR 87 -2.356 3.776 -9.612 707 1HG2 THR 87 HG21 THR 87 -2.105 5.090 -7.550 708 2HG2 THR 87 HG22 THR 87 -0.842 3.869 -7.713 709 3HG2 THR 87 HG23 THR 87 -1.770 3.979 -6.219 710 H ASP 88 HN ASP 88 -2.900 0.341 -9.290 711 HA ASP 88 HA ASP 88 -5.696 -0.211 -9.122 712 1HB ASP 88 HB2 ASP 88 -3.482 -1.435 -10.780 713 2HB ASP 88 HB1 ASP 88 -5.184 -1.835 -10.967 714 H GLN 89 HN GLN 89 -2.748 -2.058 -8.470 715 HA GLN 89 HA GLN 89 -4.070 -4.442 -7.638 716 1HB GLN 89 HB2 GLN 89 -1.494 -3.784 -8.234 717 2HB GLN 89 HB1 GLN 89 -1.424 -3.835 -6.474 718 1HG GLN 89 HG2 GLN 89 -2.488 -6.090 -6.531 719 2HG GLN 89 HG1 GLN 89 -2.435 -6.038 -8.292 720 1HE2 GLN 89 HE21 GLN 89 0.271 -4.411 -7.712 721 2HE2 GLN 89 HE22 GLN 89 1.390 -5.677 -7.542 722 H LEU 90 HN LEU 90 -2.614 -1.697 -5.868 723 HA LEU 90 HA LEU 90 -3.119 -2.570 -3.267 724 1HB LEU 90 HB2 LEU 90 -1.728 -0.626 -3.747 725 2HB LEU 90 HB1 LEU 90 -3.131 0.252 -4.363 726 HG LEU 90 HG LEU 90 -4.205 -0.030 -2.104 727 1HD1 LEU 90 HD11 LEU 90 -1.495 -1.236 -1.547 728 2HD1 LEU 90 HD12 LEU 90 -3.088 -1.889 -1.162 729 3HD1 LEU 90 HD13 LEU 90 -2.458 -0.511 -0.259 730 1HD2 LEU 90 HD21 LEU 90 -2.857 1.723 -1.037 731 2HD2 LEU 90 HD22 LEU 90 -3.007 2.041 -2.766 732 3HD2 LEU 90 HD23 LEU 90 -1.512 1.367 -2.120 733 H ALA 91 HN ALA 91 -5.176 -0.614 -5.411 734 HA ALA 91 HA ALA 91 -7.303 -0.205 -3.639 735 1HB ALA 91 HB1 ALA 91 -8.627 0.318 -5.583 736 2HB ALA 91 HB2 ALA 91 -7.530 -0.580 -6.631 737 3HB ALA 91 HB3 ALA 91 -6.992 0.915 -5.864 738 H ASN 92 HN ASN 92 -6.548 -2.937 -5.741 739 HA ASN 92 HA ASN 92 -9.044 -4.289 -5.214 740 1HB ASN 92 HB2 ASN 92 -6.488 -5.045 -6.617 741 2HB ASN 92 HB1 ASN 92 -7.797 -6.193 -6.373 742 1HD2 ASN 92 HD21 ASN 92 -9.995 -4.307 -6.722 743 2HD2 ASN 92 HD22 ASN 92 -10.001 -3.842 -8.354 744 H GLN 93 HN GLN 93 -5.720 -4.454 -4.061 745 HA GLN 93 HA GLN 93 -6.131 -6.829 -2.518 746 1HB GLN 93 HB2 GLN 93 -3.919 -4.776 -2.530 747 2HB GLN 93 HB1 GLN 93 -3.887 -6.265 -1.588 748 1HG GLN 93 HG2 GLN 93 -4.191 -6.115 -4.596 749 2HG GLN 93 HG1 GLN 93 -2.712 -6.540 -3.745 750 1HE2 GLN 93 HE21 GLN 93 -5.506 -7.845 -5.152 751 2HE2 GLN 93 HE22 GLN 93 -5.448 -9.376 -4.426 752 H LEU 94 HN LEU 94 -6.236 -3.368 -1.867 753 HA LEU 94 HA LEU 94 -6.110 -3.387 0.898 754 1HB LEU 94 HB2 LEU 94 -6.092 -1.286 -0.121 755 2HB LEU 94 HB1 LEU 94 -7.560 -1.600 -1.033 756 HG LEU 94 HG LEU 94 -8.890 -1.575 1.024 757 1HD1 LEU 94 HD11 LEU 94 -6.163 -1.583 2.235 758 2HD1 LEU 94 HD12 LEU 94 -7.640 -2.378 2.783 759 3HD1 LEU 94 HD13 LEU 94 -7.409 -0.654 3.070 760 1HD2 LEU 94 HD21 LEU 94 -7.159 0.834 1.385 761 2HD2 LEU 94 HD22 LEU 94 -8.913 0.725 1.241 762 3HD2 LEU 94 HD23 LEU 94 -7.901 0.601 -0.198 763 HA PRO 95 HA PRO 95 -11.024 -3.849 1.041 764 1HB PRO 95 HB2 PRO 95 -11.619 -5.595 -1.166 765 2HB PRO 95 HB1 PRO 95 -12.248 -3.967 -0.866 766 1HG PRO 95 HG2 PRO 95 -10.137 -4.844 -2.680 767 2HG PRO 95 HG1 PRO 95 -11.072 -3.342 -2.675 768 1HD PRO 95 HD2 PRO 95 -8.422 -3.461 -1.995 769 2HD PRO 95 HD1 PRO 95 -9.545 -2.238 -1.360 770 H GLN 96 HN GLN 96 -9.101 -6.342 -0.607 771 HA GLN 96 HA GLN 96 -10.171 -8.584 0.714 772 1HB GLN 96 HB2 GLN 96 -7.427 -8.158 -0.493 773 2HB GLN 96 HB1 GLN 96 -8.104 -9.725 -0.042 774 1HG GLN 96 HG2 GLN 96 -9.950 -9.416 -1.613 775 2HG GLN 96 HG1 GLN 96 -9.359 -7.807 -2.023 776 1HE2 GLN 96 HE21 GLN 96 -9.577 -9.494 -4.162 777 2HE2 GLN 96 HE22 GLN 96 -8.055 -10.068 -4.649 778 H TRP 97 HN TRP 97 -7.599 -6.347 1.553 779 HA TRP 97 HA TRP 97 -6.491 -7.842 3.693 780 1HB TRP 97 HB2 TRP 97 -6.558 -4.844 3.280 781 2HB TRP 97 HB1 TRP 97 -5.486 -5.710 4.380 782 HD1 TRP 97 HD1 TRP 97 -5.625 -7.994 1.681 783 HE1 TRP 97 HE1 TRP 97 -3.728 -7.646 -0.031 784 HE3 TRP 97 HE3 TRP 97 -4.105 -3.300 2.993 785 HZ2 TRP 97 HZ2 TRP 97 -1.824 -5.639 -0.750 786 HZ3 TRP 97 HZ3 TRP 97 -2.253 -2.193 1.779 787 HH2 TRP 97 HH2 TRP 97 -1.109 -3.355 -0.090 788 H LEU 98 HN LEU 98 -8.999 -5.316 3.568 789 HA LEU 98 HA LEU 98 -9.485 -5.271 6.368 790 1HB LEU 98 HB2 LEU 98 -11.275 -4.497 4.050 791 2HB LEU 98 HB1 LEU 98 -11.563 -4.094 5.741 792 HG LEU 98 HG LEU 98 -9.134 -3.263 4.133 793 1HD1 LEU 98 HD11 LEU 98 -10.151 -1.245 3.761 794 2HD1 LEU 98 HD12 LEU 98 -11.014 -1.283 5.298 795 3HD1 LEU 98 HD13 LEU 98 -11.623 -2.204 3.923 796 1HD2 LEU 98 HD21 LEU 98 -8.260 -3.196 6.247 797 2HD2 LEU 98 HD22 LEU 98 -9.850 -3.197 7.009 798 3HD2 LEU 98 HD23 LEU 98 -9.185 -1.699 6.361 799 H VAL 99 HN VAL 99 -10.916 -7.006 3.650 800 HA VAL 99 HA VAL 99 -12.964 -8.295 5.164 801 HB VAL 99 HB VAL 99 -11.713 -8.975 2.493 802 1HG1 VAL 99 HG11 VAL 99 -13.520 -10.474 4.204 803 2HG1 VAL 99 HG12 VAL 99 -12.783 -10.951 2.673 804 3HG1 VAL 99 HG13 VAL 99 -14.301 -10.052 2.679 805 1HG2 VAL 99 HG21 VAL 99 -14.475 -7.882 3.000 806 2HG2 VAL 99 HG22 VAL 99 -13.504 -7.793 1.530 807 3HG2 VAL 99 HG23 VAL 99 -13.090 -6.793 2.924 808 H GLN 100 HN GLN 100 -9.660 -9.099 4.261 809 HA GLN 100 HA GLN 100 -8.226 -10.734 4.996 810 1HB GLN 100 HB2 GLN 100 -10.221 -10.880 7.269 811 2HB GLN 100 HB1 GLN 100 -8.623 -11.629 7.270 812 1HG GLN 100 HG2 GLN 100 -7.571 -9.426 6.986 813 2HG GLN 100 HG1 GLN 100 -9.160 -8.664 6.939 814 1HE2 GLN 100 HE21 GLN 100 -7.071 -8.125 8.944 815 2HE2 GLN 100 HE22 GLN 100 -7.721 -8.572 10.447 816 H GLN 101 HN GLN 101 -8.180 -12.463 3.714 817 HA GLN 101 HA GLN 101 -8.936 -14.324 2.552 818 1HB GLN 101 HB2 GLN 101 -9.617 -15.120 5.395 819 2HB GLN 101 HB1 GLN 101 -9.342 -16.218 4.043 820 1HG GLN 101 HG2 GLN 101 -7.320 -14.298 5.231 821 2HG GLN 101 HG1 GLN 101 -7.307 -16.054 5.382 822 1HE2 GLN 101 HE21 GLN 101 -5.657 -13.764 3.800 823 2HE2 GLN 101 HE22 GLN 101 -5.375 -14.537 2.316 824 H GLU 102 HN GLU 102 -11.124 -15.949 4.103 825 HA GLU 102 HA GLU 102 -13.383 -16.287 3.880 826 1HB GLU 102 HB2 GLU 102 -13.379 -13.261 3.893 827 2HB GLU 102 HB1 GLU 102 -14.830 -14.259 4.016 828 1HG GLU 102 HG2 GLU 102 -13.886 -15.344 6.041 829 2HG GLU 102 HG1 GLU 102 -12.482 -14.282 5.936 830 H GLY 103 HN GLY 103 -11.926 -14.010 1.621 831 1HA GLY 103 HA2 GLY 103 -13.891 -13.943 -0.362 832 2HA GLY 103 HA1 GLY 103 -12.163 -13.755 -0.650 833 H ILE 104 HN ILE 104 -11.608 -16.425 0.519 834 HA ILE 104 HA ILE 104 -12.201 -17.994 -1.889 835 HB ILE 104 HB ILE 104 -10.335 -18.611 0.419 836 1HG1 ILE 104 HG12 ILE 104 -9.567 -17.636 -2.337 837 2HG1 ILE 104 HG11 ILE 104 -9.866 -16.510 -1.012 838 1HG2 ILE 104 HG21 ILE 104 -9.914 -19.745 -2.278 839 2HG2 ILE 104 HG22 ILE 104 -11.356 -20.326 -1.447 840 3HG2 ILE 104 HG23 ILE 104 -9.770 -20.516 -0.698 841 1HD1 ILE 104 HD11 ILE 104 -8.209 -17.943 0.343 842 2HD1 ILE 104 HD12 ILE 104 -7.531 -16.919 -0.923 843 3HD1 ILE 104 HD13 ILE 104 -7.742 -18.648 -1.204 844 H PHE 105 HN PHE 105 -13.475 -19.786 -1.876 845 HA PHE 105 HA PHE 105 -15.130 -21.209 -1.133 846 1HB PHE 105 HB2 PHE 105 -13.139 -22.359 -0.257 847 2HB PHE 105 HB1 PHE 105 -13.236 -21.404 1.224 848 HD1 PHE 105 HD1 PHE 105 -15.019 -23.931 -0.845 849 HD2 PHE 105 HD2 PHE 105 -14.773 -21.956 2.963 850 HE1 PHE 105 HE1 PHE 105 -16.639 -25.554 0.103 851 HE2 PHE 105 HE2 PHE 105 -16.390 -23.577 3.911 852 HZ PHE 105 HZ PHE 105 -17.324 -25.377 2.482 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 0.068 -6.763 32.663 2 2H GLY 1 HT2 GLY 1 -0.910 -7.269 33.958 3 3H GLY 1 HT3 GLY 1 -0.151 -5.751 34.005 4 1HA GLY 1 HA2 GLY 1 -1.797 -6.087 31.681 5 2HA GLY 1 HA1 GLY 1 -2.698 -6.216 33.193 6 H SER 2 HN SER 2 0.237 -4.336 32.613 7 HA SER 2 HA SER 2 0.582 -2.143 33.442 8 1HB SER 2 HB2 SER 2 0.463 -2.157 30.952 9 2HB SER 2 HB1 SER 2 -1.250 -1.767 31.064 10 HG SER 2 HG SER 2 0.866 -0.242 32.194 11 H SER 3 HN SER 3 -1.778 -0.308 32.333 12 HA SER 3 HA SER 3 -2.880 0.242 34.906 13 1HB SER 3 HB2 SER 3 -3.967 2.027 33.882 14 2HB SER 3 HB1 SER 3 -2.586 1.792 32.815 15 HG SER 3 HG SER 3 -5.221 1.546 32.298 16 H LEU 4 HN LEU 4 -5.220 0.226 35.386 17 HA LEU 4 HA LEU 4 -6.822 -1.455 35.963 18 1HB LEU 4 HB2 LEU 4 -7.701 0.481 34.539 19 2HB LEU 4 HB1 LEU 4 -7.672 -0.648 33.186 20 HG LEU 4 HG LEU 4 -9.022 -2.228 34.738 21 1HD1 LEU 4 HD11 LEU 4 -10.499 -0.677 36.268 22 2HD1 LEU 4 HD12 LEU 4 -9.087 0.378 36.229 23 3HD1 LEU 4 HD13 LEU 4 -8.944 -1.262 36.859 24 1HD2 LEU 4 HD21 LEU 4 -10.346 0.340 33.817 25 2HD2 LEU 4 HD22 LEU 4 -11.107 -1.241 33.987 26 3HD2 LEU 4 HD23 LEU 4 -9.893 -0.978 32.736 27 H SER 5 HN SER 5 -8.166 -2.457 33.262 28 HA SER 5 HA SER 5 -6.368 -4.738 32.779 29 1HB SER 5 HB2 SER 5 -9.322 -5.071 33.316 30 2HB SER 5 HB1 SER 5 -8.124 -6.343 33.087 31 HG SER 5 HG SER 5 -8.339 -4.483 35.217 32 HA PRO 6 HA PRO 6 -7.916 -3.014 28.826 33 1HB PRO 6 HB2 PRO 6 -5.525 -4.045 27.606 34 2HB PRO 6 HB1 PRO 6 -5.971 -2.356 27.886 35 1HG PRO 6 HG2 PRO 6 -3.970 -3.833 29.191 36 2HG PRO 6 HG1 PRO 6 -4.538 -2.209 29.588 37 1HD PRO 6 HD2 PRO 6 -5.018 -4.712 31.008 38 2HD PRO 6 HD1 PRO 6 -5.350 -3.050 31.530 39 H GLN 7 HN GLN 7 -8.909 -4.078 27.145 40 HA GLN 7 HA GLN 7 -9.077 -6.983 27.342 41 1HB GLN 7 HB2 GLN 7 -10.512 -5.078 25.473 42 2HB GLN 7 HB1 GLN 7 -10.895 -6.781 25.723 43 1HG GLN 7 HG2 GLN 7 -11.092 -4.552 27.765 44 2HG GLN 7 HG1 GLN 7 -12.425 -5.467 27.060 45 1HE2 GLN 7 HE21 GLN 7 -11.358 -5.244 29.954 46 2HE2 GLN 7 HE22 GLN 7 -11.172 -6.860 30.437 47 H ALA 8 HN ALA 8 -6.870 -5.066 26.064 48 HA ALA 8 HA ALA 8 -5.239 -5.365 24.475 49 1HB ALA 8 HB1 ALA 8 -4.680 -7.521 24.249 50 2HB ALA 8 HB2 ALA 8 -6.090 -7.812 23.231 51 3HB ALA 8 HB3 ALA 8 -6.219 -7.967 24.983 52 H LEU 9 HN LEU 9 -5.746 -3.740 23.078 53 HA LEU 9 HA LEU 9 -7.907 -4.062 21.159 54 1HB LEU 9 HB2 LEU 9 -7.221 -1.795 20.400 55 2HB LEU 9 HB1 LEU 9 -7.564 -1.855 22.128 56 HG LEU 9 HG LEU 9 -4.765 -2.467 21.452 57 1HD1 LEU 9 HD11 LEU 9 -4.780 -0.820 19.814 58 2HD1 LEU 9 HD12 LEU 9 -4.441 0.154 21.243 59 3HD1 LEU 9 HD13 LEU 9 -6.079 0.086 20.592 60 1HD2 LEU 9 HD21 LEU 9 -4.469 -0.712 23.283 61 2HD2 LEU 9 HD22 LEU 9 -5.389 -2.141 23.749 62 3HD2 LEU 9 HD23 LEU 9 -6.229 -0.636 23.375 63 H ALA 10 HN ALA 10 -7.647 -4.204 18.919 64 HA ALA 10 HA ALA 10 -5.468 -5.760 18.010 65 1HB ALA 10 HB1 ALA 10 -7.646 -4.241 16.578 66 2HB ALA 10 HB2 ALA 10 -7.511 -5.981 16.827 67 3HB ALA 10 HB3 ALA 10 -6.418 -5.162 15.711 68 H GLN 11 HN GLN 11 -3.705 -5.239 16.726 69 HA GLN 11 HA GLN 11 -2.736 -2.522 17.055 70 1HB GLN 11 HB2 GLN 11 -1.381 -4.897 15.760 71 2HB GLN 11 HB1 GLN 11 -0.611 -3.398 16.281 72 1HG GLN 11 HG2 GLN 11 -0.677 -3.971 18.497 73 2HG GLN 11 HG1 GLN 11 -2.206 -4.835 18.335 74 1HE2 GLN 11 HE21 GLN 11 1.122 -5.209 16.958 75 2HE2 GLN 11 HE22 GLN 11 1.208 -6.877 17.266 76 HA PRO 12 HA PRO 12 -3.847 -0.889 13.132 77 1HB PRO 12 HB2 PRO 12 -1.258 0.248 12.616 78 2HB PRO 12 HB1 PRO 12 -2.720 1.068 13.180 79 1HG PRO 12 HG2 PRO 12 -0.368 0.284 14.668 80 2HG PRO 12 HG1 PRO 12 -1.700 1.341 15.149 81 1HD PRO 12 HD2 PRO 12 -1.223 -1.207 16.169 82 2HD PRO 12 HD1 PRO 12 -2.762 -0.331 16.281 83 H LEU 13 HN LEU 13 -3.169 -0.911 10.809 84 HA LEU 13 HA LEU 13 -2.063 -3.501 10.114 85 1HB LEU 13 HB2 LEU 13 -4.072 -2.365 8.996 86 2HB LEU 13 HB1 LEU 13 -2.896 -1.319 8.210 87 HG LEU 13 HG LEU 13 -2.760 -4.337 8.082 88 1HD1 LEU 13 HD11 LEU 13 -4.046 -2.313 6.244 89 2HD1 LEU 13 HD12 LEU 13 -4.810 -3.709 7.004 90 3HD1 LEU 13 HD13 LEU 13 -3.619 -3.942 5.720 91 1HD2 LEU 13 HD21 LEU 13 -1.545 -3.287 5.856 92 2HD2 LEU 13 HD22 LEU 13 -0.691 -3.749 7.326 93 3HD2 LEU 13 HD23 LEU 13 -1.161 -2.068 7.069 94 H LEU 14 HN LEU 14 -0.047 -3.873 9.268 95 HA LEU 14 HA LEU 14 1.753 -1.570 9.145 96 1HB LEU 14 HB2 LEU 14 2.395 -4.520 9.023 97 2HB LEU 14 HB1 LEU 14 3.524 -3.194 9.280 98 HG LEU 14 HG LEU 14 1.351 -4.164 11.133 99 1HD1 LEU 14 HD11 LEU 14 3.123 -4.568 12.649 100 2HD1 LEU 14 HD12 LEU 14 4.243 -3.552 11.739 101 3HD1 LEU 14 HD13 LEU 14 3.748 -5.115 11.091 102 1HD2 LEU 14 HD21 LEU 14 2.159 -2.166 12.562 103 2HD2 LEU 14 HD22 LEU 14 1.074 -1.805 11.215 104 3HD2 LEU 14 HD23 LEU 14 2.807 -1.515 11.057 105 H LEU 15 HN LEU 15 1.869 -0.623 7.252 106 HA LEU 15 HA LEU 15 2.087 -2.298 4.827 107 1HB LEU 15 HB2 LEU 15 -0.122 -1.010 5.172 108 2HB LEU 15 HB1 LEU 15 0.828 0.448 4.910 109 HG LEU 15 HG LEU 15 -0.258 -0.349 2.831 110 1HD1 LEU 15 HD11 LEU 15 1.546 0.226 1.530 111 2HD1 LEU 15 HD12 LEU 15 2.637 -0.868 2.377 112 3HD1 LEU 15 HD13 LEU 15 2.199 0.674 3.105 113 1HD2 LEU 15 HD21 LEU 15 -0.084 -2.491 2.069 114 2HD2 LEU 15 HD22 LEU 15 0.320 -2.861 3.740 115 3HD2 LEU 15 HD23 LEU 15 1.606 -2.631 2.553 116 H GLN 16 HN GLN 16 3.886 -1.897 3.628 117 HA GLN 16 HA GLN 16 5.333 0.620 4.177 118 1HB GLN 16 HB2 GLN 16 6.419 -2.182 3.990 119 2HB GLN 16 HB1 GLN 16 7.444 -0.762 3.780 120 1HG GLN 16 HG2 GLN 16 6.742 0.077 5.992 121 2HG GLN 16 HG1 GLN 16 5.724 -1.352 6.207 122 1HE2 GLN 16 HE21 GLN 16 8.250 -2.592 4.539 123 2HE2 GLN 16 HE22 GLN 16 9.278 -3.022 5.818 124 H LEU 17 HN LEU 17 6.771 1.320 2.491 125 HA LEU 17 HA LEU 17 6.143 0.266 -0.185 126 1HB LEU 17 HB2 LEU 17 4.675 2.194 0.260 127 2HB LEU 17 HB1 LEU 17 6.087 3.178 0.626 128 HG LEU 17 HG LEU 17 6.913 2.499 -1.738 129 1HD1 LEU 17 HD11 LEU 17 4.561 0.990 -1.638 130 2HD1 LEU 17 HD12 LEU 17 5.529 1.313 -3.074 131 3HD1 LEU 17 HD13 LEU 17 4.160 2.352 -2.682 132 1HD2 LEU 17 HD21 LEU 17 5.902 4.441 -2.649 133 2HD2 LEU 17 HD22 LEU 17 5.937 4.742 -0.911 134 3HD2 LEU 17 HD23 LEU 17 4.436 4.230 -1.687 135 H PHE 18 HN PHE 18 7.953 -0.084 -1.333 136 HA PHE 18 HA PHE 18 10.475 1.074 -0.370 137 1HB PHE 18 HB2 PHE 18 9.796 -1.207 -2.223 138 2HB PHE 18 HB1 PHE 18 11.429 -0.542 -2.140 139 HD1 PHE 18 HD1 PHE 18 8.730 -1.352 0.337 140 HD2 PHE 18 HD2 PHE 18 12.857 -1.764 -0.774 141 HE1 PHE 18 HE1 PHE 18 9.160 -2.638 2.414 142 HE2 PHE 18 HE2 PHE 18 13.300 -3.057 1.300 143 HZ PHE 18 HZ PHE 18 11.432 -3.479 2.904 144 H VAL 19 HN VAL 19 11.281 2.844 -1.314 145 HA VAL 19 HA VAL 19 10.637 3.296 -4.169 146 HB VAL 19 HB VAL 19 10.157 5.604 -3.763 147 1HG1 VAL 19 HG11 VAL 19 8.355 3.904 -3.277 148 2HG1 VAL 19 HG12 VAL 19 8.157 5.424 -2.402 149 3HG1 VAL 19 HG13 VAL 19 8.797 4.006 -1.574 150 1HG2 VAL 19 HG21 VAL 19 11.844 5.995 -2.015 151 2HG2 VAL 19 HG22 VAL 19 10.909 5.021 -0.882 152 3HG2 VAL 19 HG23 VAL 19 10.262 6.552 -1.473 153 H ASP 20 HN ASP 20 12.058 4.787 -5.263 154 HA ASP 20 HA ASP 20 14.814 4.607 -4.255 155 1HB ASP 20 HB2 ASP 20 15.511 5.008 -6.541 156 2HB ASP 20 HB1 ASP 20 14.314 3.713 -6.527 157 H THR 21 HN THR 21 12.506 6.627 -3.694 158 HA THR 21 HA THR 21 12.501 8.806 -2.944 159 HB THR 21 HB THR 21 14.491 10.025 -2.710 160 HG1 THR 21 HG1 THR 21 15.298 8.555 -4.970 161 1HG2 THR 21 HG21 THR 21 15.410 8.504 -1.339 162 2HG2 THR 21 HG22 THR 21 16.107 7.654 -2.719 163 3HG2 THR 21 HG23 THR 21 14.490 7.238 -2.151 164 H ARG 22 HN ARG 22 12.414 7.790 -6.008 165 HA ARG 22 HA ARG 22 12.700 10.251 -7.470 166 1HB ARG 22 HB2 ARG 22 11.954 9.032 -9.352 167 2HB ARG 22 HB1 ARG 22 12.849 7.854 -8.393 168 1HG ARG 22 HG2 ARG 22 10.613 7.265 -7.298 169 2HG ARG 22 HG1 ARG 22 9.858 8.202 -8.582 170 1HD ARG 22 HD2 ARG 22 11.568 5.726 -8.869 171 2HD ARG 22 HD1 ARG 22 9.876 5.915 -9.312 172 HE ARG 22 HE ARG 22 11.507 7.775 -10.734 173 1HH1 ARG 22 HH11 ARG 22 9.407 5.273 -11.205 174 2HH1 ARG 22 HH12 ARG 22 10.197 4.580 -12.581 175 1HH2 ARG 22 HH21 ARG 22 13.057 6.511 -12.244 176 2HH2 ARG 22 HH22 ARG 22 12.263 5.282 -13.171 177 HA PRO 23 HA PRO 23 8.903 12.279 -6.588 178 1HB PRO 23 HB2 PRO 23 8.249 12.861 -9.317 179 2HB PRO 23 HB1 PRO 23 8.968 13.940 -8.111 180 1HG PRO 23 HG2 PRO 23 10.213 12.573 -10.329 181 2HG PRO 23 HG1 PRO 23 10.850 13.869 -9.309 182 1HD PRO 23 HD2 PRO 23 11.720 11.215 -9.271 183 2HD PRO 23 HD1 PRO 23 12.002 12.403 -7.983 184 H LEU 24 HN LEU 24 8.878 10.038 -9.357 185 HA LEU 24 HA LEU 24 6.131 9.675 -9.640 186 1HB LEU 24 HB2 LEU 24 7.781 8.721 -11.189 187 2HB LEU 24 HB1 LEU 24 8.313 7.599 -9.940 188 HG LEU 24 HG LEU 24 5.875 6.819 -9.816 189 1HD1 LEU 24 HD11 LEU 24 4.887 7.194 -12.269 190 2HD1 LEU 24 HD12 LEU 24 5.815 8.688 -12.146 191 3HD1 LEU 24 HD13 LEU 24 4.560 8.329 -10.960 192 1HD2 LEU 24 HD21 LEU 24 6.484 5.923 -12.438 193 2HD2 LEU 24 HD22 LEU 24 6.822 5.103 -10.914 194 3HD2 LEU 24 HD23 LEU 24 8.023 6.182 -11.619 195 H SER 25 HN SER 25 8.409 8.029 -7.457 196 HA SER 25 HA SER 25 6.530 6.264 -6.292 197 1HB SER 25 HB2 SER 25 8.986 7.451 -4.983 198 2HB SER 25 HB1 SER 25 8.152 5.970 -4.523 199 HG SER 25 HG SER 25 8.778 5.972 -7.152 200 H GLN 26 HN GLN 26 7.647 9.516 -5.417 201 HA GLN 26 HA GLN 26 6.060 9.798 -3.074 202 1HB GLN 26 HB2 GLN 26 7.126 11.888 -5.000 203 2HB GLN 26 HB1 GLN 26 6.423 12.237 -3.419 204 1HG GLN 26 HG2 GLN 26 8.166 10.867 -2.339 205 2HG GLN 26 HG1 GLN 26 8.869 10.518 -3.917 206 1HE2 GLN 26 HE21 GLN 26 10.746 11.664 -2.518 207 2HE2 GLN 26 HE22 GLN 26 10.874 13.340 -2.759 208 H HIS 27 HN HIS 27 5.590 10.220 -6.478 209 HA HIS 27 HA HIS 27 3.102 11.583 -6.486 210 1HB HIS 27 HB2 HIS 27 4.923 10.941 -8.348 211 2HB HIS 27 HB1 HIS 27 3.797 9.615 -8.615 212 HD1 HIS 27 HD1 HIS 27 1.275 11.552 -7.799 213 HD2 HIS 27 HD2 HIS 27 4.148 12.181 -10.756 214 HE1 HIS 27 HE1 HIS 27 0.233 13.141 -9.477 215 H ILE 28 HN ILE 28 3.932 8.166 -7.024 216 HA ILE 28 HA ILE 28 1.278 7.193 -6.955 217 HB ILE 28 HB ILE 28 3.957 5.857 -6.536 218 1HG1 ILE 28 HG12 ILE 28 1.946 5.743 -8.808 219 2HG1 ILE 28 HG11 ILE 28 3.386 6.761 -8.799 220 1HG2 ILE 28 HG21 ILE 28 2.153 3.870 -7.180 221 2HG2 ILE 28 HG22 ILE 28 1.229 4.869 -6.059 222 3HG2 ILE 28 HG23 ILE 28 2.777 4.185 -5.561 223 1HD1 ILE 28 HD11 ILE 28 3.336 4.241 -9.822 224 2HD1 ILE 28 HD12 ILE 28 3.847 3.903 -8.168 225 3HD1 ILE 28 HD13 ILE 28 4.791 5.001 -9.177 226 H VAL 29 HN VAL 29 3.664 7.868 -4.481 227 HA VAL 29 HA VAL 29 2.583 6.421 -2.341 228 HB VAL 29 HB VAL 29 4.061 9.053 -2.439 229 1HG1 VAL 29 HG11 VAL 29 3.045 9.380 -0.402 230 2HG1 VAL 29 HG12 VAL 29 4.325 8.290 0.131 231 3HG1 VAL 29 HG13 VAL 29 2.705 7.663 -0.179 232 1HG2 VAL 29 HG21 VAL 29 4.847 6.362 -2.652 233 2HG2 VAL 29 HG22 VAL 29 5.260 6.828 -1.002 234 3HG2 VAL 29 HG23 VAL 29 5.902 7.742 -2.363 235 H GLN 30 HN GLN 30 1.849 9.686 -3.523 236 HA GLN 30 HA GLN 30 -0.091 10.316 -1.584 237 1HB GLN 30 HB2 GLN 30 0.182 11.218 -4.458 238 2HB GLN 30 HB1 GLN 30 -0.984 11.897 -3.319 239 1HG GLN 30 HG2 GLN 30 1.299 11.998 -1.840 240 2HG GLN 30 HG1 GLN 30 1.940 12.266 -3.460 241 1HE2 GLN 30 HE21 GLN 30 0.153 13.705 -0.860 242 2HE2 GLN 30 HE22 GLN 30 -0.197 15.172 -1.633 243 H ARG 31 HN ARG 31 -0.278 8.639 -4.694 244 HA ARG 31 HA ARG 31 -3.096 8.336 -4.722 245 1HB ARG 31 HB2 ARG 31 -0.906 6.620 -5.913 246 2HB ARG 31 HB1 ARG 31 -2.628 6.366 -6.211 247 1HG ARG 31 HG2 ARG 31 -2.771 8.753 -6.989 248 2HG ARG 31 HG1 ARG 31 -1.014 8.840 -6.870 249 1HD ARG 31 HD2 ARG 31 -0.830 6.941 -8.446 250 2HD ARG 31 HD1 ARG 31 -2.585 6.908 -8.592 251 HE ARG 31 HE ARG 31 -2.473 8.831 -9.921 252 1HH1 ARG 31 HH11 ARG 31 0.066 7.680 -11.007 253 2HH1 ARG 31 HH12 ARG 31 1.177 8.999 -10.846 254 1HH2 ARG 31 HH21 ARG 31 -0.811 10.745 -8.605 255 2HH2 ARG 31 HH22 ARG 31 0.681 10.734 -9.484 256 H VAL 32 HN VAL 32 -0.468 6.488 -3.262 257 HA VAL 32 HA VAL 32 -2.075 4.345 -2.290 258 HB VAL 32 HB VAL 32 0.606 5.451 -1.411 259 1HG1 VAL 32 HG11 VAL 32 0.800 3.363 -0.073 260 2HG1 VAL 32 HG12 VAL 32 -0.883 2.987 -0.448 261 3HG1 VAL 32 HG13 VAL 32 -0.491 4.410 0.517 262 1HG2 VAL 32 HG21 VAL 32 1.351 4.200 -3.130 263 2HG2 VAL 32 HG22 VAL 32 -0.293 3.676 -3.494 264 3HG2 VAL 32 HG23 VAL 32 0.688 2.765 -2.346 265 H LYS 33 HN LYS 33 -0.794 7.303 -0.776 266 HA LYS 33 HA LYS 33 -2.044 7.001 1.725 267 1HB LYS 33 HB2 LYS 33 -1.147 9.477 0.237 268 2HB LYS 33 HB1 LYS 33 -1.668 9.459 1.921 269 1HG LYS 33 HG2 LYS 33 0.095 7.727 2.381 270 2HG LYS 33 HG1 LYS 33 0.678 7.961 0.733 271 1HD LYS 33 HD2 LYS 33 0.966 10.396 1.237 272 2HD LYS 33 HD1 LYS 33 0.532 10.058 2.913 273 1HE LYS 33 HE2 LYS 33 2.567 8.207 2.023 274 2HE LYS 33 HE1 LYS 33 3.096 9.869 1.754 275 1HZ LYS 33 HZ1 LYS 33 1.839 9.140 4.310 276 2HZ LYS 33 HZ2 LYS 33 2.960 10.373 3.972 277 3HZ LYS 33 HZ3 LYS 33 3.470 8.753 4.045 278 H ASN 34 HN ASN 34 -3.079 8.625 -1.239 279 HA ASN 34 HA ASN 34 -5.389 9.856 -0.242 280 1HB ASN 34 HB2 ASN 34 -4.813 8.799 -3.018 281 2HB ASN 34 HB1 ASN 34 -6.102 9.921 -2.606 282 1HD2 ASN 34 HD21 ASN 34 -3.383 10.528 -0.649 283 2HD2 ASN 34 HD22 ASN 34 -2.707 11.796 -1.557 284 H ILE 35 HN ILE 35 -4.959 6.676 -1.783 285 HA ILE 35 HA ILE 35 -7.715 5.963 -1.643 286 HB ILE 35 HB ILE 35 -5.262 4.228 -1.936 287 1HG1 ILE 35 HG12 ILE 35 -7.224 5.203 -4.031 288 2HG1 ILE 35 HG11 ILE 35 -5.707 6.028 -3.683 289 1HG2 ILE 35 HG21 ILE 35 -6.673 2.480 -1.774 290 2HG2 ILE 35 HG22 ILE 35 -7.568 3.107 -3.158 291 3HG2 ILE 35 HG23 ILE 35 -8.035 3.571 -1.522 292 1HD1 ILE 35 HD11 ILE 35 -4.843 4.637 -5.261 293 2HD1 ILE 35 HD12 ILE 35 -6.189 3.505 -5.129 294 3HD1 ILE 35 HD13 ILE 35 -4.863 3.437 -3.968 295 H LEU 36 HN LEU 36 -4.903 4.936 0.342 296 HA LEU 36 HA LEU 36 -6.371 3.317 2.116 297 1HB LEU 36 HB2 LEU 36 -3.866 4.932 2.664 298 2HB LEU 36 HB1 LEU 36 -4.484 3.632 3.682 299 HG LEU 36 HG LEU 36 -3.560 3.374 0.807 300 1HD1 LEU 36 HD11 LEU 36 -1.664 3.493 2.254 301 2HD1 LEU 36 HD12 LEU 36 -1.919 1.777 1.942 302 3HD1 LEU 36 HD13 LEU 36 -2.443 2.483 3.472 303 1HD2 LEU 36 HD21 LEU 36 -3.882 0.862 1.470 304 2HD2 LEU 36 HD22 LEU 36 -5.288 1.800 0.968 305 3HD2 LEU 36 HD23 LEU 36 -4.990 1.507 2.682 306 H ALA 37 HN ALA 37 -5.607 6.758 2.163 307 HA ALA 37 HA ALA 37 -6.847 7.300 4.678 308 1HB ALA 37 HB1 ALA 37 -6.668 9.656 4.002 309 2HB ALA 37 HB2 ALA 37 -6.262 9.162 2.359 310 3HB ALA 37 HB3 ALA 37 -5.157 8.804 3.688 311 H ALA 38 HN ALA 38 -8.039 6.428 1.680 312 HA ALA 38 HA ALA 38 -10.496 7.966 1.811 313 1HB ALA 38 HB1 ALA 38 -10.971 7.141 -0.310 314 2HB ALA 38 HB2 ALA 38 -10.064 5.652 -0.045 315 3HB ALA 38 HB3 ALA 38 -9.209 7.169 -0.324 316 H VAL 39 HN VAL 39 -9.526 5.708 3.757 317 HA VAL 39 HA VAL 39 -12.193 4.582 4.053 318 HB VAL 39 HB VAL 39 -11.047 2.987 2.575 319 1HG1 VAL 39 HG11 VAL 39 -8.954 3.268 4.672 320 2HG1 VAL 39 HG12 VAL 39 -8.784 2.987 2.940 321 3HG1 VAL 39 HG13 VAL 39 -9.201 1.652 4.013 322 1HG2 VAL 39 HG21 VAL 39 -11.092 1.579 5.204 323 2HG2 VAL 39 HG22 VAL 39 -11.873 1.146 3.683 324 3HG2 VAL 39 HG23 VAL 39 -12.570 2.402 4.706 325 H GLU 40 HN GLU 40 -9.017 5.236 5.345 326 HA GLU 40 HA GLU 40 -8.167 5.027 7.496 327 1HB GLU 40 HB2 GLU 40 -9.486 7.154 7.432 328 2HB GLU 40 HB1 GLU 40 -10.856 6.269 8.106 329 1HG GLU 40 HG2 GLU 40 -9.457 5.627 10.053 330 2HG GLU 40 HG1 GLU 40 -8.130 6.577 9.391 331 H ALA 41 HN ALA 41 -11.486 4.777 8.629 332 HA ALA 41 HA ALA 41 -12.655 2.978 9.539 333 1HB ALA 41 HB1 ALA 41 -10.283 1.169 9.283 334 2HB ALA 41 HB2 ALA 41 -11.168 1.625 7.827 335 3HB ALA 41 HB3 ALA 41 -11.999 0.790 9.140 336 H THR 42 HN THR 42 -12.372 1.476 11.524 337 HA THR 42 HA THR 42 -11.196 3.019 13.621 338 HB THR 42 HB THR 42 -11.819 1.056 15.050 339 HG1 THR 42 HG1 THR 42 -11.539 -0.368 13.089 340 1HG2 THR 42 HG21 THR 42 -14.185 1.600 13.315 341 2HG2 THR 42 HG22 THR 42 -13.391 2.977 14.076 342 3HG2 THR 42 HG23 THR 42 -14.035 1.673 15.071 343 H VAL 43 HN VAL 43 -9.935 0.843 11.407 344 HA VAL 43 HA VAL 43 -7.575 0.349 13.102 345 HB VAL 43 HB VAL 43 -7.296 -1.638 11.439 346 1HG1 VAL 43 HG11 VAL 43 -7.714 -2.682 13.393 347 2HG1 VAL 43 HG12 VAL 43 -9.434 -2.605 13.017 348 3HG1 VAL 43 HG13 VAL 43 -8.679 -1.320 13.956 349 1HG2 VAL 43 HG21 VAL 43 -10.295 -1.505 11.383 350 2HG2 VAL 43 HG22 VAL 43 -9.205 -2.408 10.332 351 3HG2 VAL 43 HG23 VAL 43 -9.362 -0.660 10.147 352 HA PRO 44 HA PRO 44 -6.489 3.056 9.487 353 1HB PRO 44 HB2 PRO 44 -4.433 4.181 11.153 354 2HB PRO 44 HB1 PRO 44 -5.889 4.965 10.527 355 1HG PRO 44 HG2 PRO 44 -5.339 4.138 13.187 356 2HG PRO 44 HG1 PRO 44 -6.794 4.916 12.558 357 1HD PRO 44 HD2 PRO 44 -6.484 2.199 13.420 358 2HD PRO 44 HD1 PRO 44 -7.941 2.979 12.777 359 H ILE 45 HN ILE 45 -4.601 3.010 8.192 360 HA ILE 45 HA ILE 45 -2.828 0.742 8.803 361 HB ILE 45 HB ILE 45 -3.107 2.190 6.169 362 1HG1 ILE 45 HG12 ILE 45 -4.395 -0.204 5.855 363 2HG1 ILE 45 HG11 ILE 45 -4.863 0.219 7.502 364 1HG2 ILE 45 HG21 ILE 45 -1.440 0.800 5.562 365 2HG2 ILE 45 HG22 ILE 45 -2.454 -0.583 5.973 366 3HG2 ILE 45 HG23 ILE 45 -1.393 0.125 7.193 367 1HD1 ILE 45 HD11 ILE 45 -5.179 1.984 5.054 368 2HD1 ILE 45 HD12 ILE 45 -5.607 2.446 6.701 369 3HD1 ILE 45 HD13 ILE 45 -6.479 1.141 5.897 370 H SER 46 HN SER 46 -0.617 0.957 8.841 371 HA SER 46 HA SER 46 0.376 3.724 8.990 372 1HB SER 46 HB2 SER 46 0.806 2.305 10.953 373 2HB SER 46 HB1 SER 46 1.617 1.124 9.930 374 HG SER 46 HG SER 46 3.106 2.543 10.910 375 H LEU 47 HN LEU 47 1.352 4.485 7.221 376 HA LEU 47 HA LEU 47 2.475 2.572 5.295 377 1HB LEU 47 HB2 LEU 47 0.833 4.598 4.784 378 2HB LEU 47 HB1 LEU 47 2.341 5.508 4.757 379 HG LEU 47 HG LEU 47 1.525 3.191 2.998 380 1HD1 LEU 47 HD11 LEU 47 0.883 5.295 2.095 381 2HD1 LEU 47 HD12 LEU 47 2.386 4.886 1.268 382 3HD1 LEU 47 HD13 LEU 47 2.396 6.056 2.588 383 1HD2 LEU 47 HD21 LEU 47 4.290 4.262 3.596 384 2HD2 LEU 47 HD22 LEU 47 3.916 3.482 2.062 385 3HD2 LEU 47 HD23 LEU 47 3.755 2.581 3.567 386 H GLN 48 HN GLN 48 4.580 2.143 5.521 387 HA GLN 48 HA GLN 48 6.359 4.343 6.382 388 1HB GLN 48 HB2 GLN 48 6.034 1.668 7.425 389 2HB GLN 48 HB1 GLN 48 7.676 1.891 6.824 390 1HG GLN 48 HG2 GLN 48 7.726 2.637 9.088 391 2HG GLN 48 HG1 GLN 48 7.693 4.103 8.110 392 1HE2 GLN 48 HE21 GLN 48 6.742 5.098 10.165 393 2HE2 GLN 48 HE22 GLN 48 5.073 4.939 10.427 394 H VAL 49 HN VAL 49 7.909 4.907 4.994 395 HA VAL 49 HA VAL 49 8.234 3.275 2.576 396 HB VAL 49 HB VAL 49 9.254 6.075 3.063 397 1HG1 VAL 49 HG11 VAL 49 8.829 4.370 0.599 398 2HG1 VAL 49 HG12 VAL 49 10.361 4.974 1.231 399 3HG1 VAL 49 HG13 VAL 49 9.186 6.096 0.545 400 1HG2 VAL 49 HG21 VAL 49 7.250 6.817 1.816 401 2HG2 VAL 49 HG22 VAL 49 6.796 6.003 3.314 402 3HG2 VAL 49 HG23 VAL 49 6.664 5.153 1.774 403 H ILE 50 HN ILE 50 10.108 2.351 2.003 404 HA ILE 50 HA ILE 50 12.423 2.783 3.788 405 HB ILE 50 HB ILE 50 11.836 0.268 2.209 406 1HG1 ILE 50 HG12 ILE 50 11.209 0.979 5.090 407 2HG1 ILE 50 HG11 ILE 50 10.054 0.535 3.835 408 1HG2 ILE 50 HG21 ILE 50 14.202 0.763 2.885 409 2HG2 ILE 50 HG22 ILE 50 13.556 -0.691 3.643 410 3HG2 ILE 50 HG23 ILE 50 13.670 0.808 4.566 411 1HD1 ILE 50 HD11 ILE 50 10.308 -1.633 4.370 412 2HD1 ILE 50 HD12 ILE 50 11.484 -1.196 5.609 413 3HD1 ILE 50 HD13 ILE 50 12.020 -1.530 3.963 414 H ASN 51 HN ASN 51 14.173 3.601 2.804 415 HA ASN 51 HA ASN 51 14.093 4.083 -0.034 416 1HB ASN 51 HB2 ASN 51 16.161 4.704 2.087 417 2HB ASN 51 HB1 ASN 51 16.291 5.198 0.404 418 1HD2 ASN 51 HD21 ASN 51 14.340 6.546 -0.424 419 2HD2 ASN 51 HD22 ASN 51 13.628 7.623 0.680 420 H VAL 52 HN VAL 52 14.495 2.374 -1.306 421 HA VAL 52 HA VAL 52 15.954 0.091 -0.658 422 HB VAL 52 HB VAL 52 16.032 -0.320 -3.095 423 1HG1 VAL 52 HG11 VAL 52 13.687 0.253 -1.492 424 2HG1 VAL 52 HG12 VAL 52 13.920 -1.008 -2.703 425 3HG1 VAL 52 HG13 VAL 52 13.363 0.592 -3.193 426 1HG2 VAL 52 HG21 VAL 52 15.866 2.559 -3.150 427 2HG2 VAL 52 HG22 VAL 52 14.507 1.880 -4.044 428 3HG2 VAL 52 HG23 VAL 52 16.158 1.449 -4.489 429 H ALA 53 HN ALA 53 17.032 3.234 -1.608 430 HA ALA 53 HA ALA 53 19.636 2.456 -2.506 431 1HB ALA 53 HB1 ALA 53 20.104 4.952 -2.031 432 2HB ALA 53 HB2 ALA 53 18.377 5.066 -1.688 433 3HB ALA 53 HB3 ALA 53 18.928 4.560 -3.286 434 H ASP 54 HN ASP 54 18.128 2.766 0.550 435 HA ASP 54 HA ASP 54 20.652 3.173 1.953 436 1HB ASP 54 HB2 ASP 54 17.799 2.946 2.923 437 2HB ASP 54 HB1 ASP 54 19.187 3.147 3.991 438 H GLN 55 HN GLN 55 18.269 0.664 1.313 439 HA GLN 55 HA GLN 55 20.151 -1.300 2.403 440 1HB GLN 55 HB2 GLN 55 18.438 -2.410 3.715 441 2HB GLN 55 HB1 GLN 55 18.557 -0.721 4.213 442 1HG GLN 55 HG2 GLN 55 16.702 -0.562 2.206 443 2HG GLN 55 HG1 GLN 55 16.325 -2.134 2.911 444 1HE2 GLN 55 HE21 GLN 55 16.377 1.339 3.542 445 2HE2 GLN 55 HE22 GLN 55 15.566 1.261 5.032 446 HA PRO 56 HA PRO 56 18.257 -2.641 -1.590 447 1HB PRO 56 HB2 PRO 56 20.920 -3.280 -2.485 448 2HB PRO 56 HB1 PRO 56 19.834 -2.022 -3.094 449 1HG PRO 56 HG2 PRO 56 22.188 -1.586 -1.716 450 2HG PRO 56 HG1 PRO 56 20.885 -0.411 -1.930 451 1HD PRO 56 HD2 PRO 56 21.570 -2.045 0.464 452 2HD PRO 56 HD1 PRO 56 20.802 -0.443 0.367 453 H GLN 57 HN GLN 57 20.108 -3.979 0.885 454 HA GLN 57 HA GLN 57 20.560 -6.611 -0.096 455 1HB GLN 57 HB2 GLN 57 21.860 -5.877 1.756 456 2HB GLN 57 HB1 GLN 57 20.427 -5.422 2.675 457 1HG GLN 57 HG2 GLN 57 19.739 -7.808 2.764 458 2HG GLN 57 HG1 GLN 57 21.209 -8.246 1.888 459 1HE2 GLN 57 HE21 GLN 57 20.118 -8.552 4.867 460 2HE2 GLN 57 HE22 GLN 57 21.495 -8.175 5.783 461 H LEU 58 HN LEU 58 17.989 -5.227 1.985 462 HA LEU 58 HA LEU 58 16.635 -7.741 2.185 463 1HB LEU 58 HB2 LEU 58 15.183 -6.647 3.593 464 2HB LEU 58 HB1 LEU 58 16.562 -5.559 3.702 465 HG LEU 58 HG LEU 58 15.515 -4.291 1.733 466 1HD1 LEU 58 HD11 LEU 58 13.669 -6.473 2.034 467 2HD1 LEU 58 HD12 LEU 58 13.668 -5.193 0.820 468 3HD1 LEU 58 HD13 LEU 58 12.827 -4.963 2.349 469 1HD2 LEU 58 HD21 LEU 58 14.294 -2.916 3.226 470 2HD2 LEU 58 HD22 LEU 58 15.452 -3.733 4.274 471 3HD2 LEU 58 HD23 LEU 58 13.780 -4.290 4.206 472 H VAL 59 HN VAL 59 16.747 -5.138 -0.057 473 HA VAL 59 HA VAL 59 14.249 -5.422 -1.358 474 HB VAL 59 HB VAL 59 16.948 -4.575 -2.427 475 1HG1 VAL 59 HG11 VAL 59 15.179 -5.318 -4.118 476 2HG1 VAL 59 HG12 VAL 59 15.847 -3.701 -4.320 477 3HG1 VAL 59 HG13 VAL 59 14.262 -3.912 -3.584 478 1HG2 VAL 59 HG21 VAL 59 15.969 -2.289 -2.129 479 2HG2 VAL 59 HG22 VAL 59 16.188 -3.151 -0.606 480 3HG2 VAL 59 HG23 VAL 59 14.585 -3.034 -1.329 481 H GLU 60 HN GLU 60 17.424 -6.952 -1.869 482 HA GLU 60 HA GLU 60 16.607 -8.552 -4.082 483 1HB GLU 60 HB2 GLU 60 18.866 -8.924 -2.102 484 2HB GLU 60 HB1 GLU 60 18.665 -9.854 -3.589 485 1HG GLU 60 HG2 GLU 60 18.734 -7.738 -4.892 486 2HG GLU 60 HG1 GLU 60 19.022 -6.848 -3.399 487 H TYR 61 HN TYR 61 16.596 -8.981 -0.583 488 HA TYR 61 HA TYR 61 16.074 -11.720 -0.416 489 1HB TYR 61 HB2 TYR 61 16.509 -10.325 1.557 490 2HB TYR 61 HB1 TYR 61 14.980 -9.483 1.310 491 HD1 TYR 61 HD1 TYR 61 12.924 -10.405 2.072 492 HD2 TYR 61 HD2 TYR 61 16.479 -12.815 2.036 493 HE1 TYR 61 HE1 TYR 61 11.743 -12.164 3.364 494 HE2 TYR 61 HE2 TYR 61 15.300 -14.575 3.326 495 HH TYR 61 HH TYR 61 11.891 -14.169 4.306 496 H TYR 62 HN TYR 62 13.873 -9.000 -0.887 497 HA TYR 62 HA TYR 62 11.596 -10.789 -1.240 498 1HB TYR 62 HB2 TYR 62 11.889 -7.782 -1.244 499 2HB TYR 62 HB1 TYR 62 10.369 -8.603 -1.545 500 HD1 TYR 62 HD1 TYR 62 11.885 -6.806 0.833 501 HD2 TYR 62 HD2 TYR 62 10.234 -10.750 0.399 502 HE1 TYR 62 HE1 TYR 62 11.511 -6.921 3.283 503 HE2 TYR 62 HE2 TYR 62 9.872 -10.865 2.844 504 HH TYR 62 HH TYR 62 9.629 -9.427 4.732 505 H ARG 63 HN ARG 63 13.991 -10.523 -3.145 506 HA ARG 63 HA ARG 63 14.395 -10.302 -5.412 507 1HB ARG 63 HB2 ARG 63 11.509 -11.219 -5.561 508 2HB ARG 63 HB1 ARG 63 12.713 -11.357 -6.841 509 1HG ARG 63 HG2 ARG 63 13.004 -12.648 -4.114 510 2HG ARG 63 HG1 ARG 63 12.357 -13.480 -5.527 511 1HD ARG 63 HD2 ARG 63 14.501 -12.921 -6.737 512 2HD ARG 63 HD1 ARG 63 15.137 -12.316 -5.211 513 HE ARG 63 HE ARG 63 15.126 -14.544 -4.364 514 1HH1 ARG 63 HH21 ARG 63 16.437 -14.912 -7.079 515 2HH1 ARG 63 HH22 ARG 63 15.602 -16.301 -7.689 516 1HH2 ARG 63 HH11 ARG 63 13.005 -16.072 -5.397 517 2HH2 ARG 63 HH12 ARG 63 13.654 -16.957 -6.738 518 H LEU 64 HN LEU 64 12.812 -8.190 -3.784 519 HA LEU 64 HA LEU 64 11.181 -6.707 -5.541 520 1HB LEU 64 HB2 LEU 64 11.501 -6.599 -2.967 521 2HB LEU 64 HB1 LEU 64 12.815 -5.493 -3.327 522 HG LEU 64 HG LEU 64 10.686 -4.319 -2.875 523 1HD1 LEU 64 HD11 LEU 64 10.707 -2.848 -4.788 524 2HD1 LEU 64 HD12 LEU 64 11.491 -4.077 -5.774 525 3HD1 LEU 64 HD13 LEU 64 12.359 -3.339 -4.426 526 1HD2 LEU 64 HD21 LEU 64 9.522 -6.384 -4.169 527 2HD2 LEU 64 HD22 LEU 64 9.523 -5.173 -5.450 528 3HD2 LEU 64 HD23 LEU 64 8.735 -4.832 -3.910 529 H VAL 65 HN VAL 65 12.948 -7.160 -7.364 530 HA VAL 65 HA VAL 65 15.101 -5.213 -7.357 531 HB VAL 65 HB VAL 65 14.226 -6.861 -9.712 532 1HG1 VAL 65 HG11 VAL 65 16.590 -5.276 -8.914 533 2HG1 VAL 65 HG12 VAL 65 16.019 -5.712 -10.524 534 3HG1 VAL 65 HG13 VAL 65 16.969 -6.862 -9.584 535 1HG2 VAL 65 HG21 VAL 65 14.479 -8.670 -8.345 536 2HG2 VAL 65 HG22 VAL 65 15.339 -7.739 -7.119 537 3HG2 VAL 65 HG23 VAL 65 16.201 -8.341 -8.535 538 H VAL 66 HN VAL 66 11.885 -4.891 -7.822 539 HA VAL 66 HA VAL 66 12.228 -2.864 -9.944 540 HB VAL 66 HB VAL 66 9.756 -3.166 -10.270 541 1HG1 VAL 66 HG11 VAL 66 10.965 -5.843 -10.718 542 2HG1 VAL 66 HG12 VAL 66 11.814 -4.464 -11.416 543 3HG1 VAL 66 HG13 VAL 66 10.135 -4.779 -11.855 544 1HG2 VAL 66 HG21 VAL 66 9.438 -4.225 -7.994 545 2HG2 VAL 66 HG22 VAL 66 10.178 -5.685 -8.655 546 3HG2 VAL 66 HG23 VAL 66 8.662 -5.081 -9.327 547 H THR 67 HN THR 67 11.417 -0.830 -9.625 548 HA THR 67 HA THR 67 10.024 -0.262 -7.102 549 HB THR 67 HB THR 67 11.508 1.827 -6.924 550 HG1 THR 67 HG1 THR 67 13.276 1.883 -8.109 551 1HG2 THR 67 HG21 THR 67 12.816 -0.876 -6.511 552 2HG2 THR 67 HG22 THR 67 11.641 -0.153 -5.412 553 3HG2 THR 67 HG23 THR 67 13.207 0.618 -5.660 554 HA PRO 68 HA PRO 68 9.356 1.619 -6.140 555 1HB PRO 68 HB2 PRO 68 6.593 2.416 -6.127 556 2HB PRO 68 HB1 PRO 68 8.008 3.385 -5.694 557 1HG PRO 68 HG2 PRO 68 6.385 3.781 -7.900 558 2HG PRO 68 HG1 PRO 68 8.008 4.448 -7.673 559 1HD PRO 68 HD2 PRO 68 7.131 2.149 -9.349 560 2HD PRO 68 HD1 PRO 68 8.503 3.256 -9.576 561 H ALA 69 HN ALA 69 7.942 0.484 -4.519 562 HA ALA 69 HA ALA 69 6.102 -1.500 -5.607 563 1HB ALA 69 HB1 ALA 69 8.598 -2.319 -4.098 564 2HB ALA 69 HB2 ALA 69 8.302 -2.594 -5.815 565 3HB ALA 69 HB3 ALA 69 7.294 -3.387 -4.605 566 H LEU 70 HN LEU 70 4.713 -2.354 -4.018 567 HA LEU 70 HA LEU 70 4.951 -1.135 -1.330 568 1HB LEU 70 HB2 LEU 70 3.097 -0.257 -2.873 569 2HB LEU 70 HB1 LEU 70 2.345 -1.836 -2.674 570 HG LEU 70 HG LEU 70 3.126 -0.038 -0.369 571 1HD1 LEU 70 HD11 LEU 70 1.216 1.102 -0.706 572 2HD1 LEU 70 HD12 LEU 70 0.296 -0.401 -0.671 573 3HD1 LEU 70 HD13 LEU 70 0.951 0.195 -2.195 574 1HD2 LEU 70 HD21 LEU 70 1.227 -1.708 0.556 575 2HD2 LEU 70 HD22 LEU 70 2.943 -2.085 0.634 576 3HD2 LEU 70 HD23 LEU 70 1.953 -2.752 -0.662 577 H VAL 71 HN VAL 71 4.981 -2.545 0.344 578 HA VAL 71 HA VAL 71 3.956 -5.268 -0.155 579 HB VAL 71 HB VAL 71 6.481 -4.683 1.388 580 1HG1 VAL 71 HG11 VAL 71 5.063 -6.815 1.744 581 2HG1 VAL 71 HG12 VAL 71 6.778 -7.034 1.396 582 3HG1 VAL 71 HG13 VAL 71 5.583 -7.273 0.122 583 1HG2 VAL 71 HG21 VAL 71 6.115 -5.529 -1.506 584 2HG2 VAL 71 HG22 VAL 71 7.652 -5.577 -0.641 585 3HG2 VAL 71 HG23 VAL 71 6.854 -4.033 -0.936 586 H LYS 72 HN LYS 72 2.616 -6.013 1.327 587 HA LYS 72 HA LYS 72 2.230 -4.538 3.841 588 1HB LYS 72 HB2 LYS 72 0.277 -5.179 2.383 589 2HB LYS 72 HB1 LYS 72 0.643 -6.869 2.723 590 1HG LYS 72 HG2 LYS 72 0.623 -5.807 5.251 591 2HG LYS 72 HG1 LYS 72 -0.618 -4.834 4.453 592 1HD LYS 72 HD2 LYS 72 -1.481 -7.109 3.529 593 2HD LYS 72 HD1 LYS 72 -0.516 -7.815 4.822 594 1HE LYS 72 HE2 LYS 72 -1.743 -6.071 6.341 595 2HE LYS 72 HE1 LYS 72 -2.919 -6.027 5.027 596 1HZ LYS 72 HZ1 LYS 72 -2.142 -8.302 6.735 597 2HZ LYS 72 HZ2 LYS 72 -2.834 -8.566 5.206 598 3HZ LYS 72 HZ3 LYS 72 -3.693 -7.708 6.395 599 H ILE 73 HN ILE 73 3.041 -5.296 5.741 600 HA ILE 73 HA ILE 73 4.243 -7.980 5.678 601 HB ILE 73 HB ILE 73 5.218 -6.990 7.956 602 1HG1 ILE 73 HG12 ILE 73 3.757 -4.852 7.304 603 2HG1 ILE 73 HG11 ILE 73 5.339 -4.680 8.062 604 1HG2 ILE 73 HG21 ILE 73 6.110 -6.470 5.114 605 2HG2 ILE 73 HG22 ILE 73 6.635 -7.762 6.196 606 3HG2 ILE 73 HG23 ILE 73 7.121 -6.096 6.511 607 1HD1 ILE 73 HD11 ILE 73 6.376 -4.044 6.078 608 2HD1 ILE 73 HD12 ILE 73 4.778 -3.328 5.866 609 3HD1 ILE 73 HD13 ILE 73 5.175 -4.851 5.071 610 H GLY 74 HN GLY 74 1.624 -6.236 7.160 611 1HA GLY 74 HA2 GLY 74 0.243 -8.333 8.111 612 2HA GLY 74 HA1 GLY 74 1.440 -8.114 9.374 613 HA PRO 75 HA PRO 75 0.526 -8.338 11.277 614 1HB PRO 75 HB2 PRO 75 -2.104 -8.638 12.387 615 2HB PRO 75 HB1 PRO 75 -0.621 -8.111 13.196 616 1HG PRO 75 HG2 PRO 75 -2.866 -6.550 12.536 617 2HG PRO 75 HG1 PRO 75 -1.326 -6.003 13.205 618 1HD PRO 75 HD2 PRO 75 -2.356 -5.652 10.506 619 2HD PRO 75 HD1 PRO 75 -0.915 -4.937 11.256 620 H GLY 76 HN GLY 76 -1.615 -8.024 8.751 621 1HA GLY 76 HA2 GLY 76 -2.699 -10.725 8.820 622 2HA GLY 76 HA1 GLY 76 -2.949 -9.532 7.550 623 H SER 77 HN SER 77 -2.514 -11.606 6.256 624 HA SER 77 HA SER 77 0.047 -12.765 6.135 625 1HB SER 77 HB2 SER 77 -1.630 -13.953 5.011 626 2HB SER 77 HB1 SER 77 -2.209 -12.525 4.159 627 HG SER 77 HG SER 77 -0.815 -12.945 2.654 628 H ARG 78 HN ARG 78 1.542 -12.561 4.223 629 HA ARG 78 HA ARG 78 2.120 -9.714 3.811 630 1HB ARG 78 HB2 ARG 78 3.961 -11.074 4.626 631 2HB ARG 78 HB1 ARG 78 3.784 -12.182 3.263 632 1HG ARG 78 HG2 ARG 78 4.332 -10.382 1.693 633 2HG ARG 78 HG1 ARG 78 4.441 -9.230 3.022 634 1HD ARG 78 HD2 ARG 78 6.292 -10.530 4.001 635 2HD ARG 78 HD1 ARG 78 6.190 -11.682 2.672 636 HE ARG 78 HE ARG 78 6.925 -8.830 2.315 637 1HH1 ARG 78 HH11 ARG 78 8.046 -12.012 2.230 638 2HH1 ARG 78 HH12 ARG 78 8.840 -11.880 0.696 639 1HH2 ARG 78 HH21 ARG 78 7.574 -8.727 0.015 640 2HH2 ARG 78 HH22 ARG 78 8.579 -10.017 -0.554 641 H GLN 79 HN GLN 79 2.235 -8.736 1.836 642 HA GLN 79 HA GLN 79 1.733 -10.351 -0.567 643 1HB GLN 79 HB2 GLN 79 0.106 -7.906 0.188 644 2HB GLN 79 HB1 GLN 79 -0.019 -8.802 -1.326 645 1HG GLN 79 HG2 GLN 79 -0.562 -10.859 0.022 646 2HG GLN 79 HG1 GLN 79 -0.627 -9.835 1.456 647 1HE2 GLN 79 HE21 GLN 79 -1.692 -7.880 -1.003 648 2HE2 GLN 79 HE22 GLN 79 -3.361 -8.172 -0.889 649 H VAL 80 HN VAL 80 2.635 -9.500 -2.434 650 HA VAL 80 HA VAL 80 4.264 -7.062 -2.034 651 HB VAL 80 HB VAL 80 4.845 -9.498 -3.733 652 1HG1 VAL 80 HG11 VAL 80 5.696 -6.832 -4.099 653 2HG1 VAL 80 HG12 VAL 80 6.382 -8.277 -4.841 654 3HG1 VAL 80 HG13 VAL 80 7.049 -7.660 -3.330 655 1HG2 VAL 80 HG21 VAL 80 5.140 -9.343 -1.076 656 2HG2 VAL 80 HG22 VAL 80 6.618 -8.504 -1.546 657 3HG2 VAL 80 HG23 VAL 80 6.331 -10.156 -2.093 658 H LEU 81 HN LEU 81 3.670 -5.390 -3.203 659 HA LEU 81 HA LEU 81 2.400 -5.847 -5.834 660 1HB LEU 81 HB2 LEU 81 1.996 -3.474 -4.010 661 2HB LEU 81 HB1 LEU 81 1.155 -3.795 -5.522 662 HG LEU 81 HG LEU 81 1.037 -5.621 -3.108 663 1HD1 LEU 81 HD11 LEU 81 -1.355 -4.094 -3.914 664 2HD1 LEU 81 HD12 LEU 81 -0.053 -3.110 -3.243 665 3HD1 LEU 81 HD13 LEU 81 -0.732 -4.437 -2.300 666 1HD2 LEU 81 HD21 LEU 81 0.030 -7.035 -4.550 667 2HD2 LEU 81 HD22 LEU 81 0.235 -5.872 -5.858 668 3HD2 LEU 81 HD23 LEU 81 -1.208 -5.817 -4.852 669 H SER 82 HN SER 82 3.461 -4.968 -7.544 670 HA SER 82 HA SER 82 5.108 -2.616 -7.205 671 1HB SER 82 HB2 SER 82 6.727 -4.254 -6.524 672 2HB SER 82 HB1 SER 82 6.354 -5.270 -7.908 673 HG SER 82 HG SER 82 7.858 -2.956 -7.726 674 H GLY 83 HN GLY 83 6.146 -1.968 -9.229 675 1HA GLY 83 HA2 GLY 83 6.261 -1.935 -11.606 676 2HA GLY 83 HA1 GLY 83 4.897 -3.041 -11.666 677 H ILE 84 HN ILE 84 5.277 0.044 -9.973 678 HA ILE 84 HA ILE 84 3.850 1.842 -9.820 679 HB ILE 84 HB ILE 84 3.740 3.120 -11.815 680 1HG1 ILE 84 HG12 ILE 84 4.301 0.600 -13.410 681 2HG1 ILE 84 HG11 ILE 84 2.683 1.271 -13.202 682 1HG2 ILE 84 HG21 ILE 84 5.996 2.987 -11.156 683 2HG2 ILE 84 HG22 ILE 84 6.048 2.555 -12.864 684 3HG2 ILE 84 HG23 ILE 84 6.131 1.296 -11.635 685 1HD1 ILE 84 HD11 ILE 84 3.095 3.054 -14.573 686 2HD1 ILE 84 HD12 ILE 84 4.287 1.953 -15.262 687 3HD1 ILE 84 HD13 ILE 84 4.786 3.170 -14.088 688 H ASP 85 HN ASP 85 2.585 -1.023 -10.644 689 HA ASP 85 HA ASP 85 -0.061 0.000 -11.423 690 1HB ASP 85 HB2 ASP 85 -0.665 -2.289 -11.826 691 2HB ASP 85 HB1 ASP 85 0.931 -2.049 -12.533 692 H LEU 86 HN LEU 86 1.587 -0.008 -8.778 693 HA LEU 86 HA LEU 86 0.390 -1.461 -6.770 694 1HB LEU 86 HB2 LEU 86 1.296 1.427 -6.593 695 2HB LEU 86 HB1 LEU 86 1.169 0.278 -5.264 696 HG LEU 86 HG LEU 86 2.950 -0.164 -7.670 697 1HD1 LEU 86 HD11 LEU 86 3.473 1.875 -6.151 698 2HD1 LEU 86 HD12 LEU 86 4.768 0.717 -6.454 699 3HD1 LEU 86 HD13 LEU 86 3.884 0.671 -4.928 700 1HD2 LEU 86 HD21 LEU 86 3.916 -1.522 -5.449 701 2HD2 LEU 86 HD22 LEU 86 2.991 -2.240 -6.767 702 3HD2 LEU 86 HD23 LEU 86 2.169 -1.696 -5.303 703 H THR 87 HN THR 87 -0.748 1.576 -8.252 704 HA THR 87 HA THR 87 -2.813 1.999 -6.360 705 HB THR 87 HB THR 87 -3.741 3.578 -7.980 706 HG1 THR 87 HG1 THR 87 -2.727 1.899 -9.710 707 1HG2 THR 87 HG21 THR 87 -1.631 4.901 -8.427 708 2HG2 THR 87 HG22 THR 87 -0.721 3.525 -7.800 709 3HG2 THR 87 HG23 THR 87 -1.843 4.392 -6.753 710 H ASP 88 HN ASP 88 -2.726 0.260 -9.443 711 HA ASP 88 HA ASP 88 -5.525 -0.379 -9.396 712 1HB ASP 88 HB2 ASP 88 -3.184 -1.571 -10.902 713 2HB ASP 88 HB1 ASP 88 -4.864 -2.023 -11.165 714 H GLN 89 HN GLN 89 -2.509 -1.989 -8.563 715 HA GLN 89 HA GLN 89 -3.683 -4.438 -7.702 716 1HB GLN 89 HB2 GLN 89 -1.002 -3.167 -7.662 717 2HB GLN 89 HB1 GLN 89 -1.286 -4.445 -6.492 718 1HG GLN 89 HG2 GLN 89 -2.156 -5.878 -8.374 719 2HG GLN 89 HG1 GLN 89 -1.661 -4.612 -9.493 720 1HE2 GLN 89 HE21 GLN 89 0.689 -4.266 -7.324 721 2HE2 GLN 89 HE22 GLN 89 1.802 -5.429 -7.858 722 H LEU 90 HN LEU 90 -2.399 -1.618 -5.906 723 HA LEU 90 HA LEU 90 -2.970 -2.563 -3.322 724 1HB LEU 90 HB2 LEU 90 -1.581 -0.583 -3.682 725 2HB LEU 90 HB1 LEU 90 -2.960 0.285 -4.360 726 HG LEU 90 HG LEU 90 -4.160 -0.040 -2.179 727 1HD1 LEU 90 HD11 LEU 90 -3.264 -1.718 -0.925 728 2HD1 LEU 90 HD12 LEU 90 -2.202 -0.442 -0.331 729 3HD1 LEU 90 HD13 LEU 90 -1.656 -1.514 -1.621 730 1HD2 LEU 90 HD21 LEU 90 -2.917 1.711 -1.012 731 2HD2 LEU 90 HD22 LEU 90 -2.922 2.043 -2.745 732 3HD2 LEU 90 HD23 LEU 90 -1.482 1.371 -1.980 733 H ALA 91 HN ALA 91 -4.899 -0.613 -5.559 734 HA ALA 91 HA ALA 91 -7.145 -0.207 -3.946 735 1HB ALA 91 HB1 ALA 91 -6.950 -0.542 -6.952 736 2HB ALA 91 HB2 ALA 91 -6.850 0.974 -6.056 737 3HB ALA 91 HB3 ALA 91 -8.367 0.076 -6.103 738 H ASN 92 HN ASN 92 -6.149 -2.949 -5.895 739 HA ASN 92 HA ASN 92 -8.630 -4.383 -5.593 740 1HB ASN 92 HB2 ASN 92 -5.914 -5.027 -6.708 741 2HB ASN 92 HB1 ASN 92 -7.118 -6.290 -6.478 742 1HD2 ASN 92 HD21 ASN 92 -8.635 -3.303 -7.125 743 2HD2 ASN 92 HD22 ASN 92 -8.902 -3.532 -8.786 744 H GLN 93 HN GLN 93 -5.472 -4.339 -4.026 745 HA GLN 93 HA GLN 93 -5.976 -6.689 -2.471 746 1HB GLN 93 HB2 GLN 93 -3.842 -4.565 -2.310 747 2HB GLN 93 HB1 GLN 93 -3.892 -5.989 -1.281 748 1HG GLN 93 HG2 GLN 93 -3.723 -5.985 -4.299 749 2HG GLN 93 HG1 GLN 93 -2.431 -6.415 -3.178 750 1HE2 GLN 93 HE21 GLN 93 -4.267 -7.984 -5.245 751 2HE2 GLN 93 HE22 GLN 93 -4.675 -9.369 -4.359 752 H LEU 94 HN LEU 94 -6.322 -3.216 -1.922 753 HA LEU 94 HA LEU 94 -6.480 -3.205 0.840 754 1HB LEU 94 HB2 LEU 94 -6.508 -1.118 -0.242 755 2HB LEU 94 HB1 LEU 94 -7.907 -1.536 -1.219 756 HG LEU 94 HG LEU 94 -9.314 -1.617 0.805 757 1HD1 LEU 94 HD11 LEU 94 -7.832 -2.317 2.513 758 2HD1 LEU 94 HD12 LEU 94 -8.193 -0.640 2.924 759 3HD1 LEU 94 HD13 LEU 94 -6.666 -1.049 2.139 760 1HD2 LEU 94 HD21 LEU 94 -7.830 0.969 1.077 761 2HD2 LEU 94 HD22 LEU 94 -9.566 0.681 0.979 762 3HD2 LEU 94 HD23 LEU 94 -8.575 0.595 -0.476 763 HA PRO 95 HA PRO 95 -11.334 -4.067 0.466 764 1HB PRO 95 HB2 PRO 95 -11.539 -5.860 -1.771 765 2HB PRO 95 HB1 PRO 95 -12.331 -4.293 -1.555 766 1HG PRO 95 HG2 PRO 95 -9.971 -4.987 -3.125 767 2HG PRO 95 HG1 PRO 95 -11.028 -3.572 -3.236 768 1HD PRO 95 HD2 PRO 95 -8.467 -3.453 -2.280 769 2HD PRO 95 HD1 PRO 95 -9.756 -2.339 -1.774 770 H GLN 96 HN GLN 96 -9.032 -6.440 -0.901 771 HA GLN 96 HA GLN 96 -10.104 -8.737 0.328 772 1HB GLN 96 HB2 GLN 96 -7.275 -8.128 -0.545 773 2HB GLN 96 HB1 GLN 96 -7.842 -9.725 -0.057 774 1HG GLN 96 HG2 GLN 96 -9.612 -9.549 -1.840 775 2HG GLN 96 HG1 GLN 96 -8.828 -8.068 -2.389 776 1HE2 GLN 96 HE21 GLN 96 -6.343 -9.942 -1.241 777 2HE2 GLN 96 HE22 GLN 96 -5.900 -10.735 -2.676 778 H TRP 97 HN TRP 97 -7.733 -6.380 1.431 779 HA TRP 97 HA TRP 97 -6.869 -7.791 3.731 780 1HB TRP 97 HB2 TRP 97 -6.977 -4.802 3.286 781 2HB TRP 97 HB1 TRP 97 -5.992 -5.643 4.484 782 HD1 TRP 97 HD1 TRP 97 -5.748 -7.947 1.846 783 HE1 TRP 97 HE1 TRP 97 -3.729 -7.520 0.293 784 HE3 TRP 97 HE3 TRP 97 -4.640 -3.139 3.158 785 HZ2 TRP 97 HZ2 TRP 97 -1.888 -5.410 -0.301 786 HZ3 TRP 97 HZ3 TRP 97 -2.753 -1.944 2.086 787 HH2 TRP 97 HH2 TRP 97 -1.375 -3.072 0.359 788 H LEU 98 HN LEU 98 -9.370 -5.304 3.274 789 HA LEU 98 HA LEU 98 -10.178 -5.199 5.989 790 1HB LEU 98 HB2 LEU 98 -11.798 -4.577 3.509 791 2HB LEU 98 HB1 LEU 98 -12.125 -4.017 5.147 792 HG LEU 98 HG LEU 98 -9.692 -3.348 3.475 793 1HD1 LEU 98 HD11 LEU 98 -12.263 -2.021 4.101 794 2HD1 LEU 98 HD12 LEU 98 -11.197 -1.808 2.713 795 3HD1 LEU 98 HD13 LEU 98 -10.833 -0.998 4.238 796 1HD2 LEU 98 HD21 LEU 98 -10.379 -2.927 6.375 797 2HD2 LEU 98 HD22 LEU 98 -9.361 -1.757 5.534 798 3HD2 LEU 98 HD23 LEU 98 -8.850 -3.440 5.663 799 H VAL 99 HN VAL 99 -10.989 -7.242 3.289 800 HA VAL 99 HA VAL 99 -13.368 -8.394 4.281 801 HB VAL 99 HB VAL 99 -11.265 -9.478 2.398 802 1HG1 VAL 99 HG11 VAL 99 -12.470 -11.358 3.321 803 2HG1 VAL 99 HG12 VAL 99 -13.118 -11.046 1.711 804 3HG1 VAL 99 HG13 VAL 99 -14.012 -10.521 3.138 805 1HG2 VAL 99 HG21 VAL 99 -12.402 -8.400 0.743 806 2HG2 VAL 99 HG22 VAL 99 -13.008 -7.392 2.056 807 3HG2 VAL 99 HG23 VAL 99 -13.972 -8.748 1.468 808 H GLN 100 HN GLN 100 -10.124 -8.715 5.292 809 HA GLN 100 HA GLN 100 -10.050 -11.367 6.231 810 1HB GLN 100 HB2 GLN 100 -8.679 -8.862 7.219 811 2HB GLN 100 HB1 GLN 100 -8.327 -10.472 7.846 812 1HG GLN 100 HG2 GLN 100 -7.683 -11.233 5.613 813 2HG GLN 100 HG1 GLN 100 -8.112 -9.665 4.930 814 1HE2 GLN 100 HE21 GLN 100 -5.511 -10.398 4.489 815 2HE2 GLN 100 HE22 GLN 100 -4.456 -9.548 5.513 816 H GLN 101 HN GLN 101 -12.623 -10.467 6.791 817 HA GLN 101 HA GLN 101 -12.731 -9.890 9.655 818 1HB GLN 101 HB2 GLN 101 -14.951 -10.252 7.625 819 2HB GLN 101 HB1 GLN 101 -15.152 -9.701 9.290 820 1HG GLN 101 HG2 GLN 101 -13.723 -7.752 8.835 821 2HG GLN 101 HG1 GLN 101 -13.481 -8.305 7.179 822 1HE2 GLN 101 HE21 GLN 101 -15.011 -5.894 8.547 823 2HE2 GLN 101 HE22 GLN 101 -16.486 -5.884 7.707 824 H GLU 102 HN GLU 102 -13.326 -11.325 11.199 825 HA GLU 102 HA GLU 102 -13.397 -14.138 10.429 826 1HB GLU 102 HB2 GLU 102 -13.356 -12.834 13.158 827 2HB GLU 102 HB1 GLU 102 -13.221 -14.565 12.848 828 1HG GLU 102 HG2 GLU 102 -11.190 -14.120 11.469 829 2HG GLU 102 HG1 GLU 102 -11.300 -12.417 11.910 830 H GLY 103 HN GLY 103 -14.981 -15.602 11.249 831 1HA GLY 103 HA2 GLY 103 -17.154 -16.312 11.459 832 2HA GLY 103 HA1 GLY 103 -17.308 -14.992 12.613 833 H ILE 104 HN ILE 104 -18.151 -16.158 9.518 834 HA ILE 104 HA ILE 104 -19.270 -13.556 8.706 835 HB ILE 104 HB ILE 104 -19.104 -16.128 7.116 836 1HG1 ILE 104 HG12 ILE 104 -16.846 -15.405 7.597 837 2HG1 ILE 104 HG11 ILE 104 -17.218 -14.925 5.941 838 1HG2 ILE 104 HG21 ILE 104 -20.084 -13.358 6.622 839 2HG2 ILE 104 HG22 ILE 104 -20.665 -14.891 5.970 840 3HG2 ILE 104 HG23 ILE 104 -19.211 -14.145 5.306 841 1HD1 ILE 104 HD11 ILE 104 -17.095 -13.196 8.410 842 2HD1 ILE 104 HD12 ILE 104 -17.966 -12.673 6.968 843 3HD1 ILE 104 HD13 ILE 104 -16.234 -12.995 6.884 844 H PHE 105 HN PHE 105 -21.401 -13.182 8.921 845 HA PHE 105 HA PHE 105 -23.203 -14.483 10.383 846 1HB PHE 105 HB2 PHE 105 -23.769 -13.220 7.692 847 2HB PHE 105 HB1 PHE 105 -25.012 -13.655 8.866 848 HD1 PHE 105 HD1 PHE 105 -24.755 -12.699 11.266 849 HD2 PHE 105 HD2 PHE 105 -22.680 -11.139 7.846 850 HE1 PHE 105 HE1 PHE 105 -24.371 -10.568 12.474 851 HE2 PHE 105 HE2 PHE 105 -22.295 -9.007 9.054 852 HZ PHE 105 HZ PHE 105 -23.140 -8.721 11.369 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -21.157 -19.832 34.684 2 2H GLY 1 HT2 GLY 1 -19.738 -19.652 33.767 3 3H GLY 1 HT3 GLY 1 -21.135 -20.308 33.057 4 1HA GLY 1 HA2 GLY 1 -22.049 -18.324 32.655 5 2HA GLY 1 HA1 GLY 1 -21.514 -17.690 34.211 6 H SER 2 HN SER 2 -19.451 -19.228 31.800 7 HA SER 2 HA SER 2 -17.532 -17.129 31.864 8 1HB SER 2 HB2 SER 2 -17.915 -19.507 30.049 9 2HB SER 2 HB1 SER 2 -16.579 -18.375 29.859 10 HG SER 2 HG SER 2 -16.821 -20.404 31.566 11 H SER 3 HN SER 3 -16.764 -16.039 29.790 12 HA SER 3 HA SER 3 -18.428 -15.609 27.585 13 1HB SER 3 HB2 SER 3 -19.242 -13.263 28.284 14 2HB SER 3 HB1 SER 3 -20.113 -14.659 28.913 15 HG SER 3 HG SER 3 -18.606 -12.779 30.215 16 H LEU 4 HN LEU 4 -15.668 -15.109 29.321 17 HA LEU 4 HA LEU 4 -14.805 -12.709 27.879 18 1HB LEU 4 HB2 LEU 4 -14.322 -13.144 30.348 19 2HB LEU 4 HB1 LEU 4 -13.154 -14.345 29.801 20 HG LEU 4 HG LEU 4 -13.105 -11.554 28.671 21 1HD1 LEU 4 HD11 LEU 4 -11.207 -11.346 30.534 22 2HD1 LEU 4 HD12 LEU 4 -12.259 -12.477 31.384 23 3HD1 LEU 4 HD13 LEU 4 -12.881 -10.906 30.876 24 1HD2 LEU 4 HD21 LEU 4 -11.557 -13.948 28.386 25 2HD2 LEU 4 HD22 LEU 4 -10.542 -12.735 29.161 26 3HD2 LEU 4 HD23 LEU 4 -11.300 -12.387 27.607 27 H SER 5 HN SER 5 -13.419 -12.693 26.203 28 HA SER 5 HA SER 5 -12.296 -15.284 25.310 29 1HB SER 5 HB2 SER 5 -14.076 -13.765 23.941 30 2HB SER 5 HB1 SER 5 -12.560 -13.085 23.352 31 HG SER 5 HG SER 5 -12.442 -14.800 22.157 32 HA PRO 6 HA PRO 6 -8.624 -12.772 26.332 33 1HB PRO 6 HB2 PRO 6 -7.075 -15.195 26.343 34 2HB PRO 6 HB1 PRO 6 -7.548 -14.182 27.713 35 1HG PRO 6 HG2 PRO 6 -8.489 -16.741 27.130 36 2HG PRO 6 HG1 PRO 6 -9.159 -15.611 28.312 37 1HD PRO 6 HD2 PRO 6 -10.205 -16.366 25.662 38 2HD PRO 6 HD1 PRO 6 -11.041 -15.610 27.034 39 H GLN 7 HN GLN 7 -9.583 -13.862 23.514 40 HA GLN 7 HA GLN 7 -7.280 -14.558 22.053 41 1HB GLN 7 HB2 GLN 7 -9.602 -14.771 21.189 42 2HB GLN 7 HB1 GLN 7 -9.670 -13.014 21.027 43 1HG GLN 7 HG2 GLN 7 -7.720 -13.075 19.516 44 2HG GLN 7 HG1 GLN 7 -7.653 -14.829 19.672 45 1HE2 GLN 7 HE21 GLN 7 -7.952 -14.087 17.107 46 2HE2 GLN 7 HE22 GLN 7 -9.557 -14.241 16.576 47 H ALA 8 HN ALA 8 -5.913 -13.336 20.713 48 HA ALA 8 HA ALA 8 -4.924 -10.947 21.809 49 1HB ALA 8 HB1 ALA 8 -4.467 -11.506 18.920 50 2HB ALA 8 HB2 ALA 8 -3.916 -12.714 20.081 51 3HB ALA 8 HB3 ALA 8 -3.314 -11.057 20.176 52 H LEU 9 HN LEU 9 -5.076 -8.801 21.187 53 HA LEU 9 HA LEU 9 -7.568 -8.087 19.867 54 1HB LEU 9 HB2 LEU 9 -6.712 -5.710 20.484 55 2HB LEU 9 HB1 LEU 9 -7.268 -6.780 21.766 56 HG LEU 9 HG LEU 9 -5.062 -5.574 22.195 57 1HD1 LEU 9 HD11 LEU 9 -5.875 -8.269 22.715 58 2HD1 LEU 9 HD12 LEU 9 -4.864 -7.221 23.709 59 3HD1 LEU 9 HD13 LEU 9 -4.127 -8.252 22.482 60 1HD2 LEU 9 HD21 LEU 9 -3.937 -7.673 20.332 61 2HD2 LEU 9 HD22 LEU 9 -3.091 -6.323 21.083 62 3HD2 LEU 9 HD23 LEU 9 -4.262 -6.023 19.800 63 H ALA 10 HN ALA 10 -7.618 -6.342 18.266 64 HA ALA 10 HA ALA 10 -5.950 -6.941 16.040 65 1HB ALA 10 HB1 ALA 10 -8.192 -6.213 15.622 66 2HB ALA 10 HB2 ALA 10 -7.118 -4.955 15.012 67 3HB ALA 10 HB3 ALA 10 -7.947 -4.734 16.552 68 H GLN 11 HN GLN 11 -4.873 -5.141 14.781 69 HA GLN 11 HA GLN 11 -3.618 -3.055 16.388 70 1HB GLN 11 HB2 GLN 11 -2.050 -5.289 15.075 71 2HB GLN 11 HB1 GLN 11 -1.333 -3.769 15.610 72 1HG GLN 11 HG2 GLN 11 -2.285 -4.242 17.905 73 2HG GLN 11 HG1 GLN 11 -2.707 -5.850 17.318 74 1HE2 GLN 11 HE21 GLN 11 0.224 -3.769 16.940 75 2HE2 GLN 11 HE22 GLN 11 1.312 -4.975 17.436 76 HA PRO 12 HA PRO 12 -3.971 -0.696 12.708 77 1HB PRO 12 HB2 PRO 12 -1.265 0.286 12.747 78 2HB PRO 12 HB1 PRO 12 -2.738 1.128 13.249 79 1HG PRO 12 HG2 PRO 12 -0.693 -0.144 14.875 80 2HG PRO 12 HG1 PRO 12 -1.958 0.998 15.346 81 1HD PRO 12 HD2 PRO 12 -1.945 -1.679 16.040 82 2HD PRO 12 HD1 PRO 12 -3.405 -0.671 15.967 83 H LEU 13 HN LEU 13 -3.343 -0.766 10.491 84 HA LEU 13 HA LEU 13 -2.076 -3.219 9.694 85 1HB LEU 13 HB2 LEU 13 -4.029 -2.030 8.537 86 2HB LEU 13 HB1 LEU 13 -2.828 -0.915 7.901 87 HG LEU 13 HG LEU 13 -2.734 -3.919 7.524 88 1HD1 LEU 13 HD11 LEU 13 -3.107 -2.727 5.059 89 2HD1 LEU 13 HD12 LEU 13 -4.138 -1.758 6.114 90 3HD1 LEU 13 HD13 LEU 13 -4.374 -3.505 6.010 91 1HD2 LEU 13 HD21 LEU 13 -1.207 -2.840 5.566 92 2HD2 LEU 13 HD22 LEU 13 -0.549 -3.328 7.127 93 3HD2 LEU 13 HD23 LEU 13 -0.956 -1.636 6.829 94 H LEU 14 HN LEU 14 0.007 -3.523 9.133 95 HA LEU 14 HA LEU 14 1.768 -1.187 9.140 96 1HB LEU 14 HB2 LEU 14 2.414 -4.147 9.133 97 2HB LEU 14 HB1 LEU 14 3.561 -2.830 9.372 98 HG LEU 14 HG LEU 14 1.289 -3.668 11.179 99 1HD1 LEU 14 HD11 LEU 14 4.117 -3.094 12.001 100 2HD1 LEU 14 HD12 LEU 14 3.735 -4.632 11.226 101 3HD1 LEU 14 HD13 LEU 14 2.941 -4.184 12.738 102 1HD2 LEU 14 HD21 LEU 14 2.154 -1.653 12.570 103 2HD2 LEU 14 HD22 LEU 14 1.080 -1.317 11.210 104 3HD2 LEU 14 HD23 LEU 14 2.822 -1.074 11.046 105 H LEU 15 HN LEU 15 2.062 -0.252 7.264 106 HA LEU 15 HA LEU 15 2.244 -1.923 4.833 107 1HB LEU 15 HB2 LEU 15 0.118 -0.500 5.223 108 2HB LEU 15 HB1 LEU 15 1.153 0.890 4.926 109 HG LEU 15 HG LEU 15 -0.037 0.134 2.883 110 1HD1 LEU 15 HD11 LEU 15 2.494 1.011 3.115 111 2HD1 LEU 15 HD12 LEU 15 1.751 0.653 1.558 112 3HD1 LEU 15 HD13 LEU 15 2.802 -0.535 2.329 113 1HD2 LEU 15 HD21 LEU 15 0.405 -2.392 3.790 114 2HD2 LEU 15 HD22 LEU 15 1.718 -2.247 2.621 115 3HD2 LEU 15 HD23 LEU 15 0.045 -2.016 2.108 116 H GLN 16 HN GLN 16 3.989 -1.554 3.530 117 HA GLN 16 HA GLN 16 5.583 0.870 4.082 118 1HB GLN 16 HB2 GLN 16 6.519 -1.979 3.925 119 2HB GLN 16 HB1 GLN 16 7.610 -0.642 3.559 120 1HG GLN 16 HG2 GLN 16 7.165 0.349 5.755 121 2HG GLN 16 HG1 GLN 16 6.036 -0.954 6.131 122 1HE2 GLN 16 HE21 GLN 16 8.197 -0.640 7.853 123 2HE2 GLN 16 HE22 GLN 16 9.318 -1.892 7.617 124 H LEU 17 HN LEU 17 6.859 1.639 2.356 125 HA LEU 17 HA LEU 17 6.254 0.523 -0.298 126 1HB LEU 17 HB2 LEU 17 4.715 2.425 0.185 127 2HB LEU 17 HB1 LEU 17 6.124 3.463 0.385 128 HG LEU 17 HG LEU 17 6.811 2.649 -1.974 129 1HD1 LEU 17 HD11 LEU 17 4.620 2.171 -3.307 130 2HD1 LEU 17 HD12 LEU 17 3.958 1.698 -1.744 131 3HD1 LEU 17 HD13 LEU 17 5.353 0.848 -2.404 132 1HD2 LEU 17 HD21 LEU 17 5.092 4.292 -2.998 133 2HD2 LEU 17 HD22 LEU 17 6.155 4.914 -1.736 134 3HD2 LEU 17 HD23 LEU 17 4.490 4.479 -1.351 135 H PHE 18 HN PHE 18 8.041 0.295 -1.514 136 HA PHE 18 HA PHE 18 10.522 1.523 -0.525 137 1HB PHE 18 HB2 PHE 18 9.919 -0.823 -2.306 138 2HB PHE 18 HB1 PHE 18 11.529 -0.102 -2.268 139 HD1 PHE 18 HD1 PHE 18 8.871 -0.984 0.238 140 HD2 PHE 18 HD2 PHE 18 13.024 -1.142 -0.841 141 HE1 PHE 18 HE1 PHE 18 9.373 -2.181 2.350 142 HE2 PHE 18 HE2 PHE 18 13.532 -2.342 1.265 143 HZ PHE 18 HZ PHE 18 11.699 -2.854 2.867 144 H VAL 19 HN VAL 19 11.388 3.234 -1.505 145 HA VAL 19 HA VAL 19 10.755 3.652 -4.371 146 HB VAL 19 HB VAL 19 10.290 5.956 -4.037 147 1HG1 VAL 19 HG11 VAL 19 8.482 4.328 -3.399 148 2HG1 VAL 19 HG12 VAL 19 8.346 5.892 -2.594 149 3HG1 VAL 19 HG13 VAL 19 8.989 4.502 -1.718 150 1HG2 VAL 19 HG21 VAL 19 11.693 6.896 -2.492 151 2HG2 VAL 19 HG22 VAL 19 11.684 5.463 -1.462 152 3HG2 VAL 19 HG23 VAL 19 10.340 6.604 -1.399 153 H ASP 20 HN ASP 20 12.219 5.017 -5.506 154 HA ASP 20 HA ASP 20 14.961 4.881 -4.452 155 1HB ASP 20 HB2 ASP 20 15.672 5.164 -6.775 156 2HB ASP 20 HB1 ASP 20 14.533 3.824 -6.650 157 H THR 21 HN THR 21 12.713 6.886 -3.931 158 HA THR 21 HA THR 21 12.677 9.098 -3.316 159 HB THR 21 HB THR 21 14.644 10.373 -3.223 160 HG1 THR 21 HG1 THR 21 16.302 10.131 -4.622 161 1HG2 THR 21 HG21 THR 21 15.915 7.663 -3.244 162 2HG2 THR 21 HG22 THR 21 14.614 7.982 -2.098 163 3HG2 THR 21 HG23 THR 21 16.079 8.966 -2.066 164 H ARG 22 HN ARG 22 12.444 7.912 -6.297 165 HA ARG 22 HA ARG 22 12.648 10.308 -7.887 166 1HB ARG 22 HB2 ARG 22 11.727 9.004 -9.679 167 2HB ARG 22 HB1 ARG 22 12.850 7.969 -8.801 168 1HG ARG 22 HG2 ARG 22 10.721 7.282 -7.425 169 2HG ARG 22 HG1 ARG 22 9.843 7.915 -8.816 170 1HD ARG 22 HD2 ARG 22 11.997 6.238 -9.738 171 2HD ARG 22 HD1 ARG 22 11.042 5.362 -8.548 172 HE ARG 22 HE ARG 22 9.068 6.164 -10.025 173 1HH1 ARG 22 HH21 ARG 22 12.165 6.245 -11.441 174 2HH1 ARG 22 HH22 ARG 22 11.715 5.387 -12.875 175 1HH2 ARG 22 HH11 ARG 22 8.511 4.668 -11.757 176 2HH2 ARG 22 HH12 ARG 22 9.645 4.495 -13.054 177 HA PRO 23 HA PRO 23 8.903 12.316 -6.771 178 1HB PRO 23 HB2 PRO 23 8.174 13.006 -9.457 179 2HB PRO 23 HB1 PRO 23 8.914 14.036 -8.224 180 1HG PRO 23 HG2 PRO 23 10.114 12.800 -10.533 181 2HG PRO 23 HG1 PRO 23 10.784 14.021 -9.441 182 1HD PRO 23 HD2 PRO 23 11.606 11.343 -9.601 183 2HD PRO 23 HD1 PRO 23 11.976 12.463 -8.275 184 H LEU 24 HN LEU 24 8.787 10.120 -9.571 185 HA LEU 24 HA LEU 24 6.022 9.822 -9.800 186 1HB LEU 24 HB2 LEU 24 7.667 8.836 -11.374 187 2HB LEU 24 HB1 LEU 24 8.114 7.655 -10.142 188 HG LEU 24 HG LEU 24 5.563 7.119 -10.069 189 1HD1 LEU 24 HD11 LEU 24 4.781 8.975 -11.427 190 2HD1 LEU 24 HD12 LEU 24 4.497 7.477 -12.316 191 3HD1 LEU 24 HD13 LEU 24 5.858 8.513 -12.746 192 1HD2 LEU 24 HD21 LEU 24 6.026 5.832 -12.411 193 2HD2 LEU 24 HD22 LEU 24 6.737 5.330 -10.877 194 3HD2 LEU 24 HD23 LEU 24 7.669 6.320 -11.999 195 H SER 25 HN SER 25 8.321 8.117 -7.680 196 HA SER 25 HA SER 25 6.445 6.374 -6.473 197 1HB SER 25 HB2 SER 25 8.945 7.518 -5.207 198 2HB SER 25 HB1 SER 25 8.119 6.028 -4.765 199 HG SER 25 HG SER 25 8.744 6.170 -7.421 200 H GLN 26 HN GLN 26 7.614 9.612 -5.656 201 HA GLN 26 HA GLN 26 6.131 9.920 -3.249 202 1HB GLN 26 HB2 GLN 26 7.154 11.975 -5.232 203 2HB GLN 26 HB1 GLN 26 6.512 12.355 -3.631 204 1HG GLN 26 HG2 GLN 26 8.260 11.014 -2.574 205 2HG GLN 26 HG1 GLN 26 8.877 10.530 -4.153 206 1HE2 GLN 26 HE21 GLN 26 10.632 11.837 -2.406 207 2HE2 GLN 26 HE22 GLN 26 10.934 13.408 -2.971 208 H HIS 27 HN HIS 27 5.519 10.347 -6.628 209 HA HIS 27 HA HIS 27 3.033 11.716 -6.530 210 1HB HIS 27 HB2 HIS 27 4.796 11.045 -8.457 211 2HB HIS 27 HB1 HIS 27 3.628 9.750 -8.685 212 HD1 HIS 27 HD1 HIS 27 1.108 11.588 -7.889 213 HD2 HIS 27 HD2 HIS 27 4.040 12.453 -10.727 214 HE1 HIS 27 HE1 HIS 27 0.074 13.262 -9.490 215 H ILE 28 HN ILE 28 3.904 8.309 -7.030 216 HA ILE 28 HA ILE 28 1.283 7.252 -6.906 217 HB ILE 28 HB ILE 28 3.965 5.966 -6.327 218 1HG1 ILE 28 HG12 ILE 28 2.219 5.903 -8.808 219 2HG1 ILE 28 HG11 ILE 28 3.641 6.928 -8.620 220 1HG2 ILE 28 HG21 ILE 28 2.673 4.275 -5.536 221 2HG2 ILE 28 HG22 ILE 28 2.244 4.006 -7.225 222 3HG2 ILE 28 HG23 ILE 28 1.196 4.980 -6.192 223 1HD1 ILE 28 HD11 ILE 28 3.639 4.328 -9.595 224 2HD1 ILE 28 HD12 ILE 28 4.177 4.139 -7.926 225 3HD1 ILE 28 HD13 ILE 28 5.054 5.209 -9.020 226 H VAL 29 HN VAL 29 3.724 7.994 -4.491 227 HA VAL 29 HA VAL 29 2.672 6.625 -2.295 228 HB VAL 29 HB VAL 29 4.194 9.223 -2.505 229 1HG1 VAL 29 HG11 VAL 29 3.266 7.707 -0.052 230 2HG1 VAL 29 HG12 VAL 29 2.929 9.387 -0.467 231 3HG1 VAL 29 HG13 VAL 29 4.564 8.902 -0.021 232 1HG2 VAL 29 HG21 VAL 29 5.403 6.974 -1.101 233 2HG2 VAL 29 HG22 VAL 29 6.018 7.883 -2.478 234 3HG2 VAL 29 HG23 VAL 29 4.924 6.526 -2.737 235 H GLN 30 HN GLN 30 1.887 9.835 -3.596 236 HA GLN 30 HA GLN 30 0.053 10.597 -1.594 237 1HB GLN 30 HB2 GLN 30 0.123 11.277 -4.545 238 2HB GLN 30 HB1 GLN 30 -0.954 12.045 -3.379 239 1HG GLN 30 HG2 GLN 30 2.065 12.004 -3.159 240 2HG GLN 30 HG1 GLN 30 1.126 13.356 -3.787 241 1HE2 GLN 30 HE21 GLN 30 2.808 12.941 -1.187 242 2HE2 GLN 30 HE22 GLN 30 1.763 13.485 0.035 243 H ARG 31 HN ARG 31 -0.335 8.787 -4.628 244 HA ARG 31 HA ARG 31 -3.136 8.459 -4.459 245 1HB ARG 31 HB2 ARG 31 -1.067 6.653 -5.711 246 2HB ARG 31 HB1 ARG 31 -2.814 6.516 -5.935 247 1HG ARG 31 HG2 ARG 31 -2.873 8.819 -6.811 248 2HG ARG 31 HG1 ARG 31 -1.121 8.916 -6.652 249 1HD ARG 31 HD2 ARG 31 -0.937 7.994 -8.682 250 2HD ARG 31 HD1 ARG 31 -1.646 6.523 -8.028 251 HE ARG 31 HE ARG 31 -3.172 8.685 -9.354 252 1HH1 ARG 31 HH11 ARG 31 -3.795 6.056 -7.416 253 2HH1 ARG 31 HH12 ARG 31 -4.767 5.187 -8.556 254 1HH2 ARG 31 HH21 ARG 31 -4.010 7.290 -11.205 255 2HH2 ARG 31 HH22 ARG 31 -4.896 5.892 -10.696 256 H VAL 32 HN VAL 32 -0.443 6.538 -3.199 257 HA VAL 32 HA VAL 32 -1.984 4.412 -2.148 258 HB VAL 32 HB VAL 32 0.689 5.528 -1.254 259 1HG1 VAL 32 HG11 VAL 32 -0.138 2.677 -0.862 260 2HG1 VAL 32 HG12 VAL 32 -0.749 3.883 0.271 261 3HG1 VAL 32 HG13 VAL 32 0.989 3.657 0.074 262 1HG2 VAL 32 HG21 VAL 32 1.323 4.738 -3.282 263 2HG2 VAL 32 HG22 VAL 32 -0.211 3.901 -3.522 264 3HG2 VAL 32 HG23 VAL 32 1.077 3.131 -2.596 265 H LYS 33 HN LYS 33 -0.673 7.357 -0.634 266 HA LYS 33 HA LYS 33 -1.830 6.972 1.907 267 1HB LYS 33 HB2 LYS 33 -1.026 9.498 0.456 268 2HB LYS 33 HB1 LYS 33 -1.465 9.420 2.159 269 1HG LYS 33 HG2 LYS 33 0.348 7.708 2.483 270 2HG LYS 33 HG1 LYS 33 0.845 8.000 0.816 271 1HD LYS 33 HD2 LYS 33 1.109 10.428 1.380 272 2HD LYS 33 HD1 LYS 33 0.774 10.027 3.064 273 1HE LYS 33 HE2 LYS 33 2.770 8.212 2.158 274 2HE LYS 33 HE1 LYS 33 3.265 9.828 1.648 275 1HZ LYS 33 HZ1 LYS 33 3.018 8.724 4.313 276 2HZ LYS 33 HZ2 LYS 33 2.402 10.298 4.134 277 3HZ LYS 33 HZ3 LYS 33 4.021 9.966 3.740 278 H ASN 34 HN ASN 34 -2.940 8.700 -0.975 279 HA ASN 34 HA ASN 34 -5.269 9.828 0.109 280 1HB ASN 34 HB2 ASN 34 -4.653 8.979 -2.726 281 2HB ASN 34 HB1 ASN 34 -5.981 10.028 -2.248 282 1HD2 ASN 34 HD21 ASN 34 -3.288 10.483 -3.808 283 2HD2 ASN 34 HD22 ASN 34 -2.645 11.869 -3.063 284 H ILE 35 HN ILE 35 -4.771 6.743 -1.598 285 HA ILE 35 HA ILE 35 -7.507 5.958 -1.539 286 HB ILE 35 HB ILE 35 -4.977 4.338 -1.809 287 1HG1 ILE 35 HG12 ILE 35 -7.033 5.141 -3.887 288 2HG1 ILE 35 HG11 ILE 35 -5.543 6.037 -3.604 289 1HG2 ILE 35 HG21 ILE 35 -7.842 3.572 -1.664 290 2HG2 ILE 35 HG22 ILE 35 -6.403 2.626 -1.278 291 3HG2 ILE 35 HG23 ILE 35 -6.906 2.823 -2.958 292 1HD1 ILE 35 HD11 ILE 35 -5.706 3.108 -4.372 293 2HD1 ILE 35 HD12 ILE 35 -4.221 4.023 -4.115 294 3HD1 ILE 35 HD13 ILE 35 -5.282 4.427 -5.465 295 H LEU 36 HN LEU 36 -4.718 4.967 0.473 296 HA LEU 36 HA LEU 36 -6.201 3.324 2.223 297 1HB LEU 36 HB2 LEU 36 -3.647 4.869 2.730 298 2HB LEU 36 HB1 LEU 36 -4.283 3.592 3.769 299 HG LEU 36 HG LEU 36 -3.452 3.297 0.867 300 1HD1 LEU 36 HD11 LEU 36 -2.301 1.708 3.118 301 2HD1 LEU 36 HD12 LEU 36 -1.799 3.393 2.975 302 3HD1 LEU 36 HD13 LEU 36 -1.531 2.277 1.636 303 1HD2 LEU 36 HD21 LEU 36 -3.832 0.781 1.688 304 2HD2 LEU 36 HD22 LEU 36 -5.154 1.734 1.013 305 3HD2 LEU 36 HD23 LEU 36 -4.992 1.565 2.761 306 H ALA 37 HN ALA 37 -5.412 6.750 2.259 307 HA ALA 37 HA ALA 37 -6.544 7.302 4.819 308 1HB ALA 37 HB1 ALA 37 -6.341 9.646 4.172 309 2HB ALA 37 HB2 ALA 37 -6.066 9.182 2.493 310 3HB ALA 37 HB3 ALA 37 -4.873 8.775 3.727 311 H ALA 38 HN ALA 38 -7.848 6.666 1.727 312 HA ALA 38 HA ALA 38 -10.267 8.202 2.104 313 1HB ALA 38 HB1 ALA 38 -10.833 6.426 0.099 314 2HB ALA 38 HB2 ALA 38 -9.077 6.553 -0.014 315 3HB ALA 38 HB3 ALA 38 -10.075 8.001 -0.136 316 H VAL 39 HN VAL 39 -9.155 5.006 2.872 317 HA VAL 39 HA VAL 39 -11.881 4.045 3.291 318 HB VAL 39 HB VAL 39 -10.280 2.526 2.234 319 1HG1 VAL 39 HG11 VAL 39 -8.743 3.061 4.776 320 2HG1 VAL 39 HG12 VAL 39 -8.180 3.154 3.108 321 3HG1 VAL 39 HG13 VAL 39 -8.486 1.584 3.846 322 1HG2 VAL 39 HG21 VAL 39 -12.041 1.943 4.251 323 2HG2 VAL 39 HG22 VAL 39 -10.552 1.235 4.875 324 3HG2 VAL 39 HG23 VAL 39 -11.179 0.728 3.307 325 H GLU 40 HN GLU 40 -9.373 5.518 5.101 326 HA GLU 40 HA GLU 40 -8.971 5.658 7.393 327 1HB GLU 40 HB2 GLU 40 -11.994 5.866 7.287 328 2HB GLU 40 HB1 GLU 40 -10.978 6.398 8.628 329 1HG GLU 40 HG2 GLU 40 -9.804 7.959 7.091 330 2HG GLU 40 HG1 GLU 40 -10.886 7.462 5.790 331 H ALA 41 HN ALA 41 -11.993 4.480 8.413 332 HA ALA 41 HA ALA 41 -12.701 2.356 9.115 333 1HB ALA 41 HB1 ALA 41 -9.927 1.251 8.966 334 2HB ALA 41 HB2 ALA 41 -10.806 1.536 7.464 335 3HB ALA 41 HB3 ALA 41 -11.472 0.450 8.683 336 H THR 42 HN THR 42 -12.280 0.966 11.047 337 HA THR 42 HA THR 42 -11.523 2.614 13.274 338 HB THR 42 HB THR 42 -12.084 0.597 14.612 339 HG1 THR 42 HG1 THR 42 -12.146 -1.271 13.676 340 1HG2 THR 42 HG21 THR 42 -14.435 0.373 13.130 341 2HG2 THR 42 HG22 THR 42 -13.823 1.977 12.722 342 3HG2 THR 42 HG23 THR 42 -14.120 1.547 14.406 343 H VAL 43 HN VAL 43 -9.784 0.712 11.132 344 HA VAL 43 HA VAL 43 -7.575 0.420 13.060 345 HB VAL 43 HB VAL 43 -6.904 -1.485 11.426 346 1HG1 VAL 43 HG11 VAL 43 -8.423 -3.062 12.709 347 2HG1 VAL 43 HG12 VAL 43 -9.195 -1.634 13.398 348 3HG1 VAL 43 HG13 VAL 43 -7.489 -1.952 13.713 349 1HG2 VAL 43 HG21 VAL 43 -9.888 -1.581 11.012 350 2HG2 VAL 43 HG22 VAL 43 -8.634 -2.481 10.161 351 3HG2 VAL 43 HG23 VAL 43 -8.837 -0.757 9.862 352 HA PRO 44 HA PRO 44 -6.260 3.351 9.767 353 1HB PRO 44 HB2 PRO 44 -4.179 4.211 11.558 354 2HB PRO 44 HB1 PRO 44 -5.603 5.110 11.016 355 1HG PRO 44 HG2 PRO 44 -5.105 3.984 13.569 356 2HG PRO 44 HG1 PRO 44 -6.539 4.856 13.019 357 1HD PRO 44 HD2 PRO 44 -6.275 2.049 13.573 358 2HD PRO 44 HD1 PRO 44 -7.724 2.926 13.043 359 H ILE 45 HN ILE 45 -4.385 3.359 8.452 360 HA ILE 45 HA ILE 45 -2.679 0.992 8.834 361 HB ILE 45 HB ILE 45 -2.990 2.667 6.341 362 1HG1 ILE 45 HG12 ILE 45 -4.320 0.406 5.760 363 2HG1 ILE 45 HG11 ILE 45 -4.644 0.465 7.493 364 1HG2 ILE 45 HG21 ILE 45 -1.238 0.536 7.128 365 2HG2 ILE 45 HG22 ILE 45 -1.340 1.343 5.562 366 3HG2 ILE 45 HG23 ILE 45 -2.334 -0.078 5.887 367 1HD1 ILE 45 HD11 ILE 45 -5.679 2.611 7.329 368 2HD1 ILE 45 HD12 ILE 45 -6.340 1.666 5.994 369 3HD1 ILE 45 HD13 ILE 45 -5.075 2.857 5.689 370 H SER 46 HN SER 46 -0.464 1.111 8.802 371 HA SER 46 HA SER 46 0.665 3.817 9.129 372 1HB SER 46 HB2 SER 46 0.988 2.224 11.015 373 2HB SER 46 HB1 SER 46 1.837 1.135 9.922 374 HG SER 46 HG SER 46 3.484 2.292 10.600 375 H LEU 47 HN LEU 47 1.475 4.570 7.269 376 HA LEU 47 HA LEU 47 2.663 2.681 5.356 377 1HB LEU 47 HB2 LEU 47 0.924 4.611 4.829 378 2HB LEU 47 HB1 LEU 47 2.379 5.605 4.794 379 HG LEU 47 HG LEU 47 1.712 3.218 3.063 380 1HD1 LEU 47 HD11 LEU 47 0.927 5.147 2.013 381 2HD1 LEU 47 HD12 LEU 47 2.560 5.029 1.356 382 3HD1 LEU 47 HD13 LEU 47 2.216 6.152 2.673 383 1HD2 LEU 47 HD21 LEU 47 4.388 4.504 3.627 384 2HD2 LEU 47 HD22 LEU 47 4.063 3.677 2.105 385 3HD2 LEU 47 HD23 LEU 47 3.981 2.788 3.625 386 H GLN 48 HN GLN 48 4.786 2.443 5.279 387 HA GLN 48 HA GLN 48 6.495 4.665 6.209 388 1HB GLN 48 HB2 GLN 48 6.379 1.875 7.106 389 2HB GLN 48 HB1 GLN 48 8.001 2.407 6.660 390 1HG GLN 48 HG2 GLN 48 6.222 4.075 8.440 391 2HG GLN 48 HG1 GLN 48 7.260 2.811 9.096 392 1HE2 GLN 48 HE21 GLN 48 7.209 6.069 7.908 393 2HE2 GLN 48 HE22 GLN 48 8.882 6.344 7.992 394 H VAL 49 HN VAL 49 8.054 5.261 4.824 395 HA VAL 49 HA VAL 49 8.342 3.677 2.373 396 HB VAL 49 HB VAL 49 9.419 6.448 2.866 397 1HG1 VAL 49 HG11 VAL 49 9.220 4.567 0.574 398 2HG1 VAL 49 HG12 VAL 49 10.451 5.779 0.929 399 3HG1 VAL 49 HG13 VAL 49 8.906 6.265 0.227 400 1HG2 VAL 49 HG21 VAL 49 6.680 5.479 2.120 401 2HG2 VAL 49 HG22 VAL 49 7.289 6.946 1.352 402 3HG2 VAL 49 HG23 VAL 49 7.141 6.866 3.108 403 H ILE 50 HN ILE 50 10.194 2.693 1.829 404 HA ILE 50 HA ILE 50 12.514 3.161 3.590 405 HB ILE 50 HB ILE 50 11.888 0.588 2.131 406 1HG1 ILE 50 HG12 ILE 50 11.284 1.436 4.983 407 2HG1 ILE 50 HG11 ILE 50 10.102 1.030 3.744 408 1HG2 ILE 50 HG21 ILE 50 13.825 -0.171 3.054 409 2HG2 ILE 50 HG22 ILE 50 13.505 0.628 4.594 410 3HG2 ILE 50 HG23 ILE 50 14.217 1.536 3.261 411 1HD1 ILE 50 HD11 ILE 50 11.229 -0.740 5.586 412 2HD1 ILE 50 HD12 ILE 50 12.067 -1.093 4.078 413 3HD1 ILE 50 HD13 ILE 50 10.309 -1.178 4.147 414 H ASN 51 HN ASN 51 14.329 3.787 2.609 415 HA ASN 51 HA ASN 51 14.249 4.302 -0.214 416 1HB ASN 51 HB2 ASN 51 15.904 5.083 2.071 417 2HB ASN 51 HB1 ASN 51 16.857 4.768 0.621 418 1HD2 ASN 51 HD21 ASN 51 13.528 5.872 0.306 419 2HD2 ASN 51 HD22 ASN 51 13.910 7.437 -0.229 420 H VAL 52 HN VAL 52 14.566 2.646 -1.581 421 HA VAL 52 HA VAL 52 15.774 0.197 -0.990 422 HB VAL 52 HB VAL 52 15.811 -0.159 -3.424 423 1HG1 VAL 52 HG11 VAL 52 13.534 0.736 -1.844 424 2HG1 VAL 52 HG12 VAL 52 13.633 -0.586 -3.007 425 3HG1 VAL 52 HG13 VAL 52 13.288 1.051 -3.561 426 1HG2 VAL 52 HG21 VAL 52 14.590 2.307 -4.258 427 2HG2 VAL 52 HG22 VAL 52 16.091 1.584 -4.831 428 3HG2 VAL 52 HG23 VAL 52 16.111 2.679 -3.449 429 H ALA 53 HN ALA 53 17.169 3.223 -2.039 430 HA ALA 53 HA ALA 53 19.710 2.152 -2.811 431 1HB ALA 53 HB1 ALA 53 20.092 4.260 -3.503 432 2HB ALA 53 HB2 ALA 53 19.755 4.919 -1.902 433 3HB ALA 53 HB3 ALA 53 18.432 4.614 -3.027 434 H ASP 54 HN ASP 54 18.181 2.612 0.165 435 HA ASP 54 HA ASP 54 20.675 3.029 1.622 436 1HB ASP 54 HB2 ASP 54 17.791 2.904 2.517 437 2HB ASP 54 HB1 ASP 54 19.154 3.119 3.616 438 H GLN 55 HN GLN 55 18.166 0.580 1.141 439 HA GLN 55 HA GLN 55 20.009 -1.411 2.256 440 1HB GLN 55 HB2 GLN 55 18.296 -2.373 3.669 441 2HB GLN 55 HB1 GLN 55 18.476 -0.661 4.063 442 1HG GLN 55 HG2 GLN 55 16.578 -0.716 2.006 443 2HG GLN 55 HG1 GLN 55 16.145 -2.065 3.056 444 1HE2 GLN 55 HE21 GLN 55 15.264 -1.575 5.127 445 2HE2 GLN 55 HE22 GLN 55 15.023 0.010 5.681 446 HA PRO 56 HA PRO 56 17.849 -2.770 -1.621 447 1HB PRO 56 HB2 PRO 56 20.428 -3.524 -2.654 448 2HB PRO 56 HB1 PRO 56 19.332 -2.269 -3.256 449 1HG PRO 56 HG2 PRO 56 21.787 -1.859 -2.022 450 2HG PRO 56 HG1 PRO 56 20.535 -0.640 -2.289 451 1HD PRO 56 HD2 PRO 56 21.288 -2.029 0.211 452 2HD PRO 56 HD1 PRO 56 20.458 -0.475 -0.010 453 H GLN 57 HN GLN 57 19.770 -4.046 0.811 454 HA GLN 57 HA GLN 57 20.094 -6.732 -0.088 455 1HB GLN 57 HB2 GLN 57 21.567 -6.029 1.605 456 2HB GLN 57 HB1 GLN 57 20.259 -5.386 2.596 457 1HG GLN 57 HG2 GLN 57 19.417 -7.626 3.032 458 2HG GLN 57 HG1 GLN 57 20.610 -8.323 1.932 459 1HE2 GLN 57 HE21 GLN 57 20.180 -8.536 5.007 460 2HE2 GLN 57 HE22 GLN 57 21.724 -8.224 5.640 461 H LEU 58 HN LEU 58 17.702 -5.182 2.087 462 HA LEU 58 HA LEU 58 16.318 -7.643 2.539 463 1HB LEU 58 HB2 LEU 58 14.934 -6.431 3.917 464 2HB LEU 58 HB1 LEU 58 16.326 -5.355 3.889 465 HG LEU 58 HG LEU 58 15.204 -4.197 1.900 466 1HD1 LEU 58 HD11 LEU 58 13.315 -5.125 1.109 467 2HD1 LEU 58 HD12 LEU 58 12.533 -4.805 2.653 468 3HD1 LEU 58 HD13 LEU 58 13.347 -6.339 2.386 469 1HD2 LEU 58 HD21 LEU 58 14.074 -2.724 3.350 470 2HD2 LEU 58 HD22 LEU 58 15.224 -3.521 4.424 471 3HD2 LEU 58 HD23 LEU 58 13.536 -4.030 4.406 472 H VAL 59 HN VAL 59 16.265 -5.159 0.143 473 HA VAL 59 HA VAL 59 13.713 -5.602 -0.993 474 HB VAL 59 HB VAL 59 16.257 -4.710 -2.371 475 1HG1 VAL 59 HG11 VAL 59 14.347 -5.266 -3.838 476 2HG1 VAL 59 HG12 VAL 59 14.707 -3.547 -3.870 477 3HG1 VAL 59 HG13 VAL 59 13.334 -4.148 -2.936 478 1HG2 VAL 59 HG21 VAL 59 14.150 -3.017 -0.998 479 2HG2 VAL 59 HG22 VAL 59 15.670 -2.462 -1.700 480 3HG2 VAL 59 HG23 VAL 59 15.681 -3.460 -0.245 481 H GLU 60 HN GLU 60 16.923 -6.985 -1.732 482 HA GLU 60 HA GLU 60 15.995 -8.703 -3.822 483 1HB GLU 60 HB2 GLU 60 18.465 -8.882 -2.071 484 2HB GLU 60 HB1 GLU 60 18.181 -9.840 -3.524 485 1HG GLU 60 HG2 GLU 60 17.982 -7.728 -4.836 486 2HG GLU 60 HG1 GLU 60 18.382 -6.819 -3.379 487 H TYR 61 HN TYR 61 16.229 -8.994 -0.327 488 HA TYR 61 HA TYR 61 15.985 -11.762 -0.043 489 1HB TYR 61 HB2 TYR 61 16.393 -10.278 1.860 490 2HB TYR 61 HB1 TYR 61 14.782 -9.581 1.679 491 HD1 TYR 61 HD1 TYR 61 16.629 -12.719 2.451 492 HD2 TYR 61 HD2 TYR 61 12.845 -10.689 2.507 493 HE1 TYR 61 HE1 TYR 61 15.669 -14.543 3.829 494 HE2 TYR 61 HE2 TYR 61 11.887 -12.513 3.883 495 HH TYR 61 HH TYR 61 12.454 -14.294 5.216 496 H TYR 62 HN TYR 62 13.522 -9.289 -0.569 497 HA TYR 62 HA TYR 62 11.355 -11.227 -0.582 498 1HB TYR 62 HB2 TYR 62 11.513 -8.264 -1.140 499 2HB TYR 62 HB1 TYR 62 10.030 -9.194 -1.319 500 HD1 TYR 62 HD1 TYR 62 11.861 -7.190 0.870 501 HD2 TYR 62 HD2 TYR 62 9.524 -10.790 0.794 502 HE1 TYR 62 HE1 TYR 62 11.429 -6.958 3.299 503 HE2 TYR 62 HE2 TYR 62 9.093 -10.561 3.224 504 HH TYR 62 HH TYR 62 9.047 -8.683 4.914 505 H ARG 63 HN ARG 63 13.745 -11.002 -2.578 506 HA ARG 63 HA ARG 63 14.081 -11.370 -4.819 507 1HB ARG 63 HB2 ARG 63 11.153 -12.132 -4.660 508 2HB ARG 63 HB1 ARG 63 12.153 -12.356 -6.095 509 1HG ARG 63 HG2 ARG 63 13.740 -13.707 -4.676 510 2HG ARG 63 HG1 ARG 63 12.557 -13.615 -3.369 511 1HD ARG 63 HD2 ARG 63 12.133 -14.821 -6.110 512 2HD ARG 63 HD1 ARG 63 12.238 -15.697 -4.586 513 HE ARG 63 HE ARG 63 10.047 -13.804 -5.226 514 1HH1 ARG 63 HH21 ARG 63 10.341 -14.817 -2.383 515 2HH1 ARG 63 HH22 ARG 63 9.241 -16.156 -2.368 516 1HH2 ARG 63 HH11 ARG 63 9.029 -16.363 -5.821 517 2HH2 ARG 63 HH12 ARG 63 8.499 -17.028 -4.313 518 H LEU 64 HN LEU 64 12.485 -8.981 -3.480 519 HA LEU 64 HA LEU 64 11.147 -7.640 -5.596 520 1HB LEU 64 HB2 LEU 64 11.060 -7.255 -3.022 521 2HB LEU 64 HB1 LEU 64 12.494 -6.273 -3.269 522 HG LEU 64 HG LEU 64 10.428 -4.919 -3.299 523 1HD1 LEU 64 HD11 LEU 64 11.308 -4.857 -6.135 524 2HD1 LEU 64 HD12 LEU 64 12.557 -4.668 -4.906 525 3HD1 LEU 64 HD13 LEU 64 11.196 -3.551 -4.956 526 1HD2 LEU 64 HD21 LEU 64 8.656 -5.331 -4.696 527 2HD2 LEU 64 HD22 LEU 64 9.235 -6.987 -4.509 528 3HD2 LEU 64 HD23 LEU 64 9.668 -6.055 -5.945 529 H VAL 65 HN VAL 65 11.997 -6.534 -7.272 530 HA VAL 65 HA VAL 65 14.695 -5.412 -7.053 531 HB VAL 65 HB VAL 65 13.972 -7.085 -9.457 532 1HG1 VAL 65 HG11 VAL 65 16.552 -7.089 -9.531 533 2HG1 VAL 65 HG12 VAL 65 16.460 -5.792 -8.339 534 3HG1 VAL 65 HG13 VAL 65 15.738 -5.577 -9.933 535 1HG2 VAL 65 HG21 VAL 65 15.639 -7.927 -7.066 536 2HG2 VAL 65 HG22 VAL 65 15.289 -8.894 -8.498 537 3HG2 VAL 65 HG23 VAL 65 13.998 -8.481 -7.375 538 H VAL 66 HN VAL 66 11.522 -5.094 -7.936 539 HA VAL 66 HA VAL 66 12.091 -3.083 -9.999 540 HB VAL 66 HB VAL 66 9.624 -3.282 -10.433 541 1HG1 VAL 66 HG11 VAL 66 9.899 -5.151 -11.820 542 2HG1 VAL 66 HG12 VAL 66 10.894 -5.997 -10.635 543 3HG1 VAL 66 HG13 VAL 66 11.564 -4.643 -11.544 544 1HG2 VAL 66 HG21 VAL 66 9.300 -4.292 -8.056 545 2HG2 VAL 66 HG22 VAL 66 9.757 -5.815 -8.818 546 3HG2 VAL 66 HG23 VAL 66 8.333 -4.941 -9.382 547 H THR 67 HN THR 67 11.407 -0.994 -9.718 548 HA THR 67 HA THR 67 9.980 -0.352 -7.238 549 HB THR 67 HB THR 67 11.544 1.587 -6.897 550 HG1 THR 67 HG1 THR 67 12.402 1.568 -9.021 551 1HG2 THR 67 HG21 THR 67 11.878 -1.189 -6.307 552 2HG2 THR 67 HG22 THR 67 12.455 0.200 -5.386 553 3HG2 THR 67 HG23 THR 67 13.474 -0.510 -6.636 554 HA PRO 68 HA PRO 68 9.435 1.627 -6.280 555 1HB PRO 68 HB2 PRO 68 6.689 2.497 -6.288 556 2HB PRO 68 HB1 PRO 68 8.133 3.424 -5.848 557 1HG PRO 68 HG2 PRO 68 6.545 3.858 -8.072 558 2HG PRO 68 HG1 PRO 68 8.188 4.465 -7.838 559 1HD PRO 68 HD2 PRO 68 7.244 2.192 -9.507 560 2HD PRO 68 HD1 PRO 68 8.662 3.241 -9.723 561 H ALA 69 HN ALA 69 8.217 0.451 -4.649 562 HA ALA 69 HA ALA 69 6.262 -1.499 -5.614 563 1HB ALA 69 HB1 ALA 69 7.539 -3.364 -4.541 564 2HB ALA 69 HB2 ALA 69 8.896 -2.256 -4.328 565 3HB ALA 69 HB3 ALA 69 8.348 -2.680 -5.950 566 H LEU 70 HN LEU 70 4.905 -2.266 -3.981 567 HA LEU 70 HA LEU 70 5.288 -1.056 -1.314 568 1HB LEU 70 HB2 LEU 70 3.394 -0.165 -2.815 569 2HB LEU 70 HB1 LEU 70 2.604 -1.708 -2.507 570 HG LEU 70 HG LEU 70 3.658 0.000 -0.257 571 1HD1 LEU 70 HD11 LEU 70 2.027 1.512 -0.589 572 2HD1 LEU 70 HD12 LEU 70 0.821 0.230 -0.471 573 3HD1 LEU 70 HD13 LEU 70 1.511 0.653 -2.039 574 1HD2 LEU 70 HD21 LEU 70 3.086 -1.990 0.726 575 2HD2 LEU 70 HD22 LEU 70 1.979 -2.435 -0.572 576 3HD2 LEU 70 HD23 LEU 70 1.473 -1.291 0.662 577 H VAL 71 HN VAL 71 5.290 -2.421 0.389 578 HA VAL 71 HA VAL 71 4.302 -5.162 -0.090 579 HB VAL 71 HB VAL 71 6.738 -4.439 1.543 580 1HG1 VAL 71 HG11 VAL 71 6.825 -6.626 2.116 581 2HG1 VAL 71 HG12 VAL 71 6.409 -7.156 0.487 582 3HG1 VAL 71 HG13 VAL 71 5.135 -6.688 1.612 583 1HG2 VAL 71 HG21 VAL 71 6.500 -4.441 -1.259 584 2HG2 VAL 71 HG22 VAL 71 7.213 -6.002 -0.869 585 3HG2 VAL 71 HG23 VAL 71 7.999 -4.517 -0.338 586 H LYS 72 HN LYS 72 2.851 -5.876 1.294 587 HA LYS 72 HA LYS 72 2.325 -4.373 3.761 588 1HB LYS 72 HB2 LYS 72 0.461 -5.045 2.174 589 2HB LYS 72 HB1 LYS 72 0.758 -6.717 2.660 590 1HG LYS 72 HG2 LYS 72 0.579 -5.724 5.098 591 2HG LYS 72 HG1 LYS 72 -0.306 -4.430 4.289 592 1HD LYS 72 HD2 LYS 72 -1.684 -6.305 3.182 593 2HD LYS 72 HD1 LYS 72 -0.977 -7.366 4.401 594 1HE LYS 72 HE2 LYS 72 -1.833 -5.881 6.184 595 2HE LYS 72 HE1 LYS 72 -2.575 -4.854 4.958 596 1HZ LYS 72 HZ1 LYS 72 -4.248 -6.278 4.676 597 2HZ LYS 72 HZ2 LYS 72 -3.763 -6.967 6.151 598 3HZ LYS 72 HZ3 LYS 72 -3.234 -7.639 4.683 599 H ILE 73 HN ILE 73 2.718 -5.185 5.766 600 HA ILE 73 HA ILE 73 3.979 -7.847 5.846 601 HB ILE 73 HB ILE 73 4.692 -6.807 8.217 602 1HG1 ILE 73 HG12 ILE 73 3.392 -4.662 7.281 603 2HG1 ILE 73 HG11 ILE 73 4.848 -4.501 8.259 604 1HG2 ILE 73 HG21 ILE 73 6.356 -7.650 6.786 605 2HG2 ILE 73 HG22 ILE 73 6.757 -5.937 6.890 606 3HG2 ILE 73 HG23 ILE 73 5.911 -6.560 5.473 607 1HD1 ILE 73 HD11 ILE 73 6.222 -4.199 6.307 608 2HD1 ILE 73 HD12 ILE 73 4.834 -3.126 6.122 609 3HD1 ILE 73 HD13 ILE 73 4.897 -4.649 5.232 610 H GLY 74 HN GLY 74 1.212 -6.085 6.918 611 1HA GLY 74 HA2 GLY 74 -0.414 -7.996 7.673 612 2HA GLY 74 HA1 GLY 74 0.680 -8.044 9.050 613 HA PRO 75 HA PRO 75 -0.798 -8.465 10.607 614 1HB PRO 75 HB2 PRO 75 -3.646 -8.454 11.001 615 2HB PRO 75 HB1 PRO 75 -2.369 -8.383 12.221 616 1HG PRO 75 HG2 PRO 75 -4.118 -6.323 11.435 617 2HG PRO 75 HG1 PRO 75 -2.749 -6.212 12.546 618 1HD PRO 75 HD2 PRO 75 -2.972 -5.187 9.839 619 2HD PRO 75 HD1 PRO 75 -1.685 -4.911 11.030 620 H GLY 76 HN GLY 76 -1.815 -10.541 10.037 621 1HA GLY 76 HA2 GLY 76 -3.144 -11.905 8.612 622 2HA GLY 76 HA1 GLY 76 -3.313 -10.544 7.509 623 H SER 77 HN SER 77 -2.691 -11.908 5.768 624 HA SER 77 HA SER 77 -0.119 -13.196 5.737 625 1HB SER 77 HB2 SER 77 -1.729 -14.249 4.399 626 2HB SER 77 HB1 SER 77 -2.265 -12.732 3.684 627 HG SER 77 HG SER 77 -0.177 -12.601 2.703 628 H ARG 78 HN ARG 78 1.494 -12.770 4.097 629 HA ARG 78 HA ARG 78 2.141 -9.924 3.974 630 1HB ARG 78 HB2 ARG 78 3.840 -11.618 4.647 631 2HB ARG 78 HB1 ARG 78 3.721 -12.339 3.042 632 1HG ARG 78 HG2 ARG 78 4.447 -10.232 2.018 633 2HG ARG 78 HG1 ARG 78 4.522 -9.469 3.607 634 1HD ARG 78 HD2 ARG 78 6.762 -10.160 3.002 635 2HD ARG 78 HD1 ARG 78 6.194 -11.211 4.295 636 HE ARG 78 HE ARG 78 5.880 -12.957 2.657 637 1HH1 ARG 78 HH21 ARG 78 5.684 -10.868 0.331 638 2HH1 ARG 78 HH22 ARG 78 7.125 -11.258 -0.547 639 1HH2 ARG 78 HH11 ARG 78 8.502 -13.136 2.019 640 2HH2 ARG 78 HH12 ARG 78 8.719 -12.538 0.407 641 H GLN 79 HN GLN 79 2.192 -8.720 2.115 642 HA GLN 79 HA GLN 79 1.608 -10.090 -0.435 643 1HB GLN 79 HB2 GLN 79 0.253 -7.566 0.553 644 2HB GLN 79 HB1 GLN 79 0.013 -8.318 -1.023 645 1HG GLN 79 HG2 GLN 79 -0.443 -9.855 1.529 646 2HG GLN 79 HG1 GLN 79 -1.709 -8.852 0.826 647 1HE2 GLN 79 HE21 GLN 79 -3.120 -10.243 -0.249 648 2HE2 GLN 79 HE22 GLN 79 -2.639 -11.495 -1.289 649 H VAL 80 HN VAL 80 2.422 -9.066 -2.288 650 HA VAL 80 HA VAL 80 4.204 -6.759 -1.791 651 HB VAL 80 HB VAL 80 4.837 -9.151 -3.538 652 1HG1 VAL 80 HG11 VAL 80 6.125 -7.528 -4.514 653 2HG1 VAL 80 HG12 VAL 80 7.173 -7.838 -3.130 654 3HG1 VAL 80 HG13 VAL 80 6.052 -6.479 -3.099 655 1HG2 VAL 80 HG21 VAL 80 5.765 -10.125 -1.727 656 2HG2 VAL 80 HG22 VAL 80 5.008 -8.882 -0.734 657 3HG2 VAL 80 HG23 VAL 80 6.649 -8.652 -1.333 658 H LEU 81 HN LEU 81 3.659 -5.092 -3.031 659 HA LEU 81 HA LEU 81 2.396 -5.629 -5.654 660 1HB LEU 81 HB2 LEU 81 2.020 -3.083 -4.104 661 2HB LEU 81 HB1 LEU 81 1.009 -3.757 -5.378 662 HG LEU 81 HG LEU 81 1.372 -5.033 -2.653 663 1HD1 LEU 81 HD11 LEU 81 0.238 -2.840 -2.509 664 2HD1 LEU 81 HD12 LEU 81 -0.879 -4.162 -2.172 665 3HD1 LEU 81 HD13 LEU 81 -0.911 -3.360 -3.742 666 1HD2 LEU 81 HD21 LEU 81 -1.024 -5.604 -4.249 667 2HD2 LEU 81 HD22 LEU 81 0.049 -6.720 -3.413 668 3HD2 LEU 81 HD23 LEU 81 0.456 -6.141 -5.025 669 H SER 82 HN SER 82 3.387 -4.764 -7.422 670 HA SER 82 HA SER 82 5.060 -2.425 -7.159 671 1HB SER 82 HB2 SER 82 6.681 -4.046 -6.444 672 2HB SER 82 HB1 SER 82 6.303 -5.098 -7.803 673 HG SER 82 HG SER 82 7.196 -2.426 -8.098 674 H GLY 83 HN GLY 83 6.143 -1.867 -9.211 675 1HA GLY 83 HA2 GLY 83 6.234 -1.798 -11.566 676 2HA GLY 83 HA1 GLY 83 4.913 -2.956 -11.634 677 H ILE 84 HN ILE 84 5.320 0.246 -10.151 678 HA ILE 84 HA ILE 84 3.865 2.032 -10.021 679 HB ILE 84 HB ILE 84 3.566 3.145 -12.087 680 1HG1 ILE 84 HG12 ILE 84 3.988 0.501 -13.516 681 2HG1 ILE 84 HG11 ILE 84 2.403 1.223 -13.237 682 1HG2 ILE 84 HG21 ILE 84 5.843 3.234 -11.848 683 2HG2 ILE 84 HG22 ILE 84 5.792 2.288 -13.335 684 3HG2 ILE 84 HG23 ILE 84 6.016 1.481 -11.784 685 1HD1 ILE 84 HD11 ILE 84 3.503 3.348 -14.336 686 2HD1 ILE 84 HD12 ILE 84 2.905 2.044 -15.359 687 3HD1 ILE 84 HD13 ILE 84 4.629 2.172 -15.013 688 H ASP 85 HN ASP 85 2.625 -0.918 -10.477 689 HA ASP 85 HA ASP 85 -0.114 0.002 -11.049 690 1HB ASP 85 HB2 ASP 85 -0.660 -2.370 -11.332 691 2HB ASP 85 HB1 ASP 85 0.697 -1.919 -12.361 692 H LEU 86 HN LEU 86 1.784 -0.148 -8.490 693 HA LEU 86 HA LEU 86 0.657 -1.669 -6.484 694 1HB LEU 86 HB2 LEU 86 1.454 1.204 -6.010 695 2HB LEU 86 HB1 LEU 86 1.682 -0.194 -4.963 696 HG LEU 86 HG LEU 86 3.103 -1.067 -7.040 697 1HD1 LEU 86 HD11 LEU 86 3.786 0.490 -8.525 698 2HD1 LEU 86 HD12 LEU 86 4.072 1.690 -7.266 699 3HD1 LEU 86 HD13 LEU 86 2.452 1.479 -7.930 700 1HD2 LEU 86 HD21 LEU 86 3.812 0.737 -4.758 701 2HD2 LEU 86 HD22 LEU 86 5.065 0.310 -5.923 702 3HD2 LEU 86 HD23 LEU 86 4.231 -0.954 -5.022 703 H THR 87 HN THR 87 -0.475 1.421 -7.817 704 HA THR 87 HA THR 87 -2.477 1.888 -5.868 705 HB THR 87 HB THR 87 -3.426 3.462 -7.536 706 HG1 THR 87 HG1 THR 87 -1.781 1.938 -9.172 707 1HG2 THR 87 HG21 THR 87 -0.826 4.355 -8.054 708 2HG2 THR 87 HG22 THR 87 -0.686 3.428 -6.561 709 3HG2 THR 87 HG23 THR 87 -1.818 4.776 -6.661 710 H ASP 88 HN ASP 88 -2.551 0.234 -9.010 711 HA ASP 88 HA ASP 88 -5.358 -0.349 -8.880 712 1HB ASP 88 HB2 ASP 88 -3.106 -1.556 -10.510 713 2HB ASP 88 HB1 ASP 88 -4.809 -1.940 -10.727 714 H GLN 89 HN GLN 89 -2.357 -2.020 -8.175 715 HA GLN 89 HA GLN 89 -3.457 -4.518 -7.402 716 1HB GLN 89 HB2 GLN 89 -0.860 -3.100 -6.852 717 2HB GLN 89 HB1 GLN 89 -1.175 -4.707 -6.242 718 1HG GLN 89 HG2 GLN 89 -1.659 -5.439 -8.596 719 2HG GLN 89 HG1 GLN 89 -1.174 -3.833 -9.140 720 1HE2 GLN 89 HE21 GLN 89 0.510 -5.321 -10.325 721 2HE2 GLN 89 HE22 GLN 89 1.950 -5.634 -9.483 722 H LEU 90 HN LEU 90 -2.336 -1.709 -5.494 723 HA LEU 90 HA LEU 90 -2.907 -2.729 -2.959 724 1HB LEU 90 HB2 LEU 90 -1.638 -0.669 -3.293 725 2HB LEU 90 HB1 LEU 90 -3.077 0.130 -3.929 726 HG LEU 90 HG LEU 90 -4.227 -0.336 -1.749 727 1HD1 LEU 90 HD11 LEU 90 -3.181 -2.061 -0.646 728 2HD1 LEU 90 HD12 LEU 90 -2.298 -0.724 0.090 729 3HD1 LEU 90 HD13 LEU 90 -1.585 -1.618 -1.252 730 1HD2 LEU 90 HD21 LEU 90 -1.654 1.264 -1.731 731 2HD2 LEU 90 HD22 LEU 90 -2.873 1.365 -0.461 732 3HD2 LEU 90 HD23 LEU 90 -3.272 1.854 -2.109 733 H ALA 91 HN ALA 91 -4.952 -0.826 -5.148 734 HA ALA 91 HA ALA 91 -7.221 -0.668 -3.509 735 1HB ALA 91 HB1 ALA 91 -6.961 -0.732 -6.522 736 2HB ALA 91 HB2 ALA 91 -7.070 0.695 -5.490 737 3HB ALA 91 HB3 ALA 91 -8.463 -0.371 -5.673 738 H ASN 92 HN ASN 92 -5.975 -3.241 -5.522 739 HA ASN 92 HA ASN 92 -8.377 -4.825 -5.461 740 1HB ASN 92 HB2 ASN 92 -5.524 -5.464 -6.237 741 2HB ASN 92 HB1 ASN 92 -6.875 -6.575 -6.413 742 1HD2 ASN 92 HD21 ASN 92 -5.390 -5.616 -8.696 743 2HD2 ASN 92 HD22 ASN 92 -6.430 -4.645 -9.622 744 H GLN 93 HN GLN 93 -5.250 -4.830 -3.797 745 HA GLN 93 HA GLN 93 -5.877 -7.165 -2.276 746 1HB GLN 93 HB2 GLN 93 -3.691 -5.154 -1.790 747 2HB GLN 93 HB1 GLN 93 -3.766 -6.811 -1.199 748 1HG GLN 93 HG2 GLN 93 -3.120 -5.801 -3.897 749 2HG GLN 93 HG1 GLN 93 -2.474 -7.199 -3.054 750 1HE2 GLN 93 HE21 GLN 93 -4.501 -8.886 -2.648 751 2HE2 GLN 93 HE22 GLN 93 -5.371 -9.219 -4.061 752 H LEU 94 HN LEU 94 -6.077 -3.701 -1.764 753 HA LEU 94 HA LEU 94 -6.287 -3.605 0.993 754 1HB LEU 94 HB2 LEU 94 -6.178 -1.545 -0.140 755 2HB LEU 94 HB1 LEU 94 -7.568 -1.920 -1.148 756 HG LEU 94 HG LEU 94 -9.052 -1.812 0.790 757 1HD1 LEU 94 HD11 LEU 94 -6.427 -1.649 2.241 758 2HD1 LEU 94 HD12 LEU 94 -7.851 -2.617 2.622 759 3HD1 LEU 94 HD13 LEU 94 -7.849 -0.884 2.950 760 1HD2 LEU 94 HD21 LEU 94 -8.677 0.316 -0.280 761 2HD2 LEU 94 HD22 LEU 94 -7.123 0.512 0.529 762 3HD2 LEU 94 HD23 LEU 94 -8.618 0.602 1.459 763 HA PRO 95 HA PRO 95 -11.153 -4.247 0.552 764 1HB PRO 95 HB2 PRO 95 -11.417 -6.163 -1.575 765 2HB PRO 95 HB1 PRO 95 -12.143 -4.554 -1.467 766 1HG PRO 95 HG2 PRO 95 -9.829 -5.444 -2.985 767 2HG PRO 95 HG1 PRO 95 -10.792 -3.972 -3.156 768 1HD PRO 95 HD2 PRO 95 -8.216 -4.012 -2.187 769 2HD PRO 95 HD1 PRO 95 -9.408 -2.752 -1.801 770 H GLN 96 HN GLN 96 -9.003 -6.804 -0.716 771 HA GLN 96 HA GLN 96 -10.132 -8.952 0.713 772 1HB GLN 96 HB2 GLN 96 -7.301 -8.561 -0.289 773 2HB GLN 96 HB1 GLN 96 -7.965 -10.093 0.284 774 1HG GLN 96 HG2 GLN 96 -9.715 -9.979 -1.459 775 2HG GLN 96 HG1 GLN 96 -9.025 -8.464 -2.041 776 1HE2 GLN 96 HE21 GLN 96 -9.211 -11.355 -3.227 777 2HE2 GLN 96 HE22 GLN 96 -7.628 -11.644 -3.767 778 H TRP 97 HN TRP 97 -7.708 -6.560 1.563 779 HA TRP 97 HA TRP 97 -6.763 -7.789 3.939 780 1HB TRP 97 HB2 TRP 97 -6.921 -4.844 3.246 781 2HB TRP 97 HB1 TRP 97 -5.936 -5.554 4.527 782 HD1 TRP 97 HD1 TRP 97 -5.745 -8.034 1.978 783 HE1 TRP 97 HE1 TRP 97 -3.671 -7.740 0.467 784 HE3 TRP 97 HE3 TRP 97 -4.454 -3.247 3.191 785 HZ2 TRP 97 HZ2 TRP 97 -1.721 -5.730 -0.136 786 HZ3 TRP 97 HZ3 TRP 97 -2.488 -2.167 2.139 787 HH2 TRP 97 HH2 TRP 97 -1.122 -3.402 0.479 788 H LEU 98 HN LEU 98 -9.483 -5.675 3.227 789 HA LEU 98 HA LEU 98 -10.233 -5.391 6.007 790 1HB LEU 98 HB2 LEU 98 -11.664 -4.638 3.452 791 2HB LEU 98 HB1 LEU 98 -12.169 -4.183 5.075 792 HG LEU 98 HG LEU 98 -9.555 -3.427 3.746 793 1HD1 LEU 98 HD11 LEU 98 -11.040 -1.178 4.613 794 2HD1 LEU 98 HD12 LEU 98 -12.182 -2.230 3.777 795 3HD1 LEU 98 HD13 LEU 98 -10.726 -1.675 2.951 796 1HD2 LEU 98 HD21 LEU 98 -10.565 -3.276 6.549 797 2HD2 LEU 98 HD22 LEU 98 -9.681 -1.876 5.939 798 3HD2 LEU 98 HD23 LEU 98 -8.913 -3.462 5.960 799 H VAL 99 HN VAL 99 -11.322 -7.164 3.158 800 HA VAL 99 HA VAL 99 -13.653 -8.277 4.314 801 HB VAL 99 HB VAL 99 -11.943 -9.177 1.995 802 1HG1 VAL 99 HG11 VAL 99 -14.700 -10.088 2.875 803 2HG1 VAL 99 HG12 VAL 99 -13.236 -11.071 2.863 804 3HG1 VAL 99 HG13 VAL 99 -13.935 -10.513 1.343 805 1HG2 VAL 99 HG21 VAL 99 -13.534 -8.024 0.641 806 2HG2 VAL 99 HG22 VAL 99 -13.145 -6.915 1.956 807 3HG2 VAL 99 HG23 VAL 99 -14.652 -7.831 1.992 808 H GLN 100 HN GLN 100 -10.402 -9.670 3.837 809 HA GLN 100 HA GLN 100 -9.535 -11.681 4.637 810 1HB GLN 100 HB2 GLN 100 -10.634 -10.299 7.091 811 2HB GLN 100 HB1 GLN 100 -9.585 -11.715 7.162 812 1HG GLN 100 HG2 GLN 100 -7.839 -10.525 5.940 813 2HG GLN 100 HG1 GLN 100 -8.891 -9.125 5.759 814 1HE2 GLN 100 HE21 GLN 100 -6.466 -8.682 7.035 815 2HE2 GLN 100 HE22 GLN 100 -6.709 -8.466 8.701 816 H GLN 101 HN GLN 101 -11.888 -12.310 3.442 817 HA GLN 101 HA GLN 101 -13.523 -13.922 3.371 818 1HB GLN 101 HB2 GLN 101 -11.964 -14.978 5.741 819 2HB GLN 101 HB1 GLN 101 -13.228 -15.869 4.894 820 1HG GLN 101 HG2 GLN 101 -11.918 -15.606 2.775 821 2HG GLN 101 HG1 GLN 101 -10.625 -14.862 3.711 822 1HE2 GLN 101 HE21 GLN 101 -11.872 -17.039 5.827 823 2HE2 GLN 101 HE22 GLN 101 -10.922 -18.397 5.455 824 H GLU 102 HN GLU 102 -13.459 -14.639 6.717 825 HA GLU 102 HA GLU 102 -15.032 -14.366 8.368 826 1HB GLU 102 HB2 GLU 102 -14.855 -11.582 7.216 827 2HB GLU 102 HB1 GLU 102 -15.796 -11.961 8.660 828 1HG GLU 102 HG2 GLU 102 -13.757 -12.910 9.714 829 2HG GLU 102 HG1 GLU 102 -12.826 -12.455 8.289 830 H GLY 103 HN GLY 103 -16.372 -12.176 5.890 831 1HA GLY 103 HA2 GLY 103 -19.039 -12.640 6.302 832 2HA GLY 103 HA1 GLY 103 -18.365 -12.266 4.718 833 H ILE 104 HN ILE 104 -20.515 -13.776 4.602 834 HA ILE 104 HA ILE 104 -19.692 -16.598 4.542 835 HB ILE 104 HB ILE 104 -22.428 -15.362 4.152 836 1HG1 ILE 104 HG12 ILE 104 -21.281 -16.817 6.555 837 2HG1 ILE 104 HG11 ILE 104 -21.420 -15.062 6.441 838 1HG2 ILE 104 HG21 ILE 104 -22.311 -17.518 3.074 839 2HG2 ILE 104 HG22 ILE 104 -23.154 -17.738 4.608 840 3HG2 ILE 104 HG23 ILE 104 -21.463 -18.218 4.454 841 1HD1 ILE 104 HD11 ILE 104 -23.540 -15.225 7.176 842 2HD1 ILE 104 HD12 ILE 104 -23.448 -16.985 7.149 843 3HD1 ILE 104 HD13 ILE 104 -23.947 -16.107 5.704 844 H PHE 105 HN PHE 105 -19.414 -17.706 2.699 845 HA PHE 105 HA PHE 105 -18.712 -17.746 0.447 846 1HB PHE 105 HB2 PHE 105 -21.573 -18.032 0.902 847 2HB PHE 105 HB1 PHE 105 -21.222 -17.485 -0.737 848 HD1 PHE 105 HD1 PHE 105 -21.129 -20.268 1.572 849 HD2 PHE 105 HD2 PHE 105 -19.540 -18.779 -2.131 850 HE1 PHE 105 HE1 PHE 105 -20.414 -22.562 0.957 851 HE2 PHE 105 HE2 PHE 105 -18.827 -21.072 -2.748 852 HZ PHE 105 HZ PHE 105 -19.265 -22.965 -1.205 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -13.013 -12.704 35.373 2 2H GLY 1 HT2 GLY 1 -12.784 -13.733 36.706 3 3H GLY 1 HT3 GLY 1 -12.954 -12.060 36.941 4 1HA GLY 1 HA2 GLY 1 -14.951 -13.941 37.048 5 2HA GLY 1 HA1 GLY 1 -15.153 -12.188 37.012 6 H SER 2 HN SER 2 -14.803 -11.255 34.695 7 HA SER 2 HA SER 2 -15.724 -12.999 32.555 8 1HB SER 2 HB2 SER 2 -17.881 -12.390 32.554 9 2HB SER 2 HB1 SER 2 -17.608 -11.559 34.082 10 HG SER 2 HG SER 2 -17.873 -10.564 31.531 11 H SER 3 HN SER 3 -16.550 -10.979 30.797 12 HA SER 3 HA SER 3 -14.124 -10.086 29.731 13 1HB SER 3 HB2 SER 3 -15.573 -8.521 28.382 14 2HB SER 3 HB1 SER 3 -16.057 -10.214 28.314 15 HG SER 3 HG SER 3 -17.803 -9.767 29.452 16 H LEU 4 HN LEU 4 -16.011 -8.841 32.308 17 HA LEU 4 HA LEU 4 -15.957 -6.837 33.477 18 1HB LEU 4 HB2 LEU 4 -13.966 -8.154 34.219 19 2HB LEU 4 HB1 LEU 4 -12.994 -7.270 33.045 20 HG LEU 4 HG LEU 4 -14.044 -5.155 34.228 21 1HD1 LEU 4 HD11 LEU 4 -14.681 -5.452 36.485 22 2HD1 LEU 4 HD12 LEU 4 -14.001 -7.078 36.553 23 3HD1 LEU 4 HD13 LEU 4 -15.485 -6.779 35.646 24 1HD2 LEU 4 HD21 LEU 4 -11.700 -6.846 34.788 25 2HD2 LEU 4 HD22 LEU 4 -12.139 -5.784 36.125 26 3HD2 LEU 4 HD23 LEU 4 -11.792 -5.104 34.534 27 H SER 5 HN SER 5 -12.937 -6.048 31.903 28 HA SER 5 HA SER 5 -14.159 -3.586 30.874 29 1HB SER 5 HB2 SER 5 -11.457 -3.407 30.376 30 2HB SER 5 HB1 SER 5 -12.274 -2.775 31.803 31 HG SER 5 HG SER 5 -11.173 -5.381 31.507 32 HA PRO 6 HA PRO 6 -14.161 -4.395 26.578 33 1HB PRO 6 HB2 PRO 6 -12.065 -2.573 25.816 34 2HB PRO 6 HB1 PRO 6 -13.816 -2.347 25.678 35 1HG PRO 6 HG2 PRO 6 -11.958 -1.313 27.677 36 2HG PRO 6 HG1 PRO 6 -13.586 -0.764 27.257 37 1HD PRO 6 HD2 PRO 6 -12.996 -2.046 29.604 38 2HD PRO 6 HD1 PRO 6 -14.592 -2.127 28.828 39 H GLN 7 HN GLN 7 -13.062 -5.581 24.987 40 HA GLN 7 HA GLN 7 -10.754 -7.057 25.931 41 1HB GLN 7 HB2 GLN 7 -12.314 -7.225 23.343 42 2HB GLN 7 HB1 GLN 7 -11.054 -8.353 23.845 43 1HG GLN 7 HG2 GLN 7 -12.352 -8.952 25.838 44 2HG GLN 7 HG1 GLN 7 -13.600 -7.789 25.392 45 1HE2 GLN 7 HE21 GLN 7 -14.101 -10.637 25.671 46 2HE2 GLN 7 HE22 GLN 7 -14.531 -11.230 24.139 47 H ALA 8 HN ALA 8 -8.790 -7.302 24.696 48 HA ALA 8 HA ALA 8 -7.562 -4.902 23.983 49 1HB ALA 8 HB1 ALA 8 -6.857 -7.717 23.115 50 2HB ALA 8 HB2 ALA 8 -6.288 -6.904 24.573 51 3HB ALA 8 HB3 ALA 8 -5.792 -6.317 22.986 52 H LEU 9 HN LEU 9 -7.484 -3.709 22.175 53 HA LEU 9 HA LEU 9 -9.160 -4.487 19.928 54 1HB LEU 9 HB2 LEU 9 -8.651 -2.216 19.081 55 2HB LEU 9 HB1 LEU 9 -9.301 -2.185 20.720 56 HG LEU 9 HG LEU 9 -6.326 -2.230 20.188 57 1HD1 LEU 9 HD11 LEU 9 -6.242 0.024 19.855 58 2HD1 LEU 9 HD12 LEU 9 -7.593 0.336 20.944 59 3HD1 LEU 9 HD13 LEU 9 -7.898 -0.190 19.289 60 1HD2 LEU 9 HD21 LEU 9 -6.356 -2.470 22.438 61 2HD2 LEU 9 HD22 LEU 9 -8.084 -2.133 22.522 62 3HD2 LEU 9 HD23 LEU 9 -6.926 -0.804 22.510 63 H ALA 10 HN ALA 10 -8.405 -4.442 17.728 64 HA ALA 10 HA ALA 10 -6.004 -5.890 17.327 65 1HB ALA 10 HB1 ALA 10 -7.225 -4.319 15.099 66 2HB ALA 10 HB2 ALA 10 -8.180 -5.605 15.836 67 3HB ALA 10 HB3 ALA 10 -6.618 -5.975 15.105 68 H GLN 11 HN GLN 11 -4.046 -5.247 16.362 69 HA GLN 11 HA GLN 11 -3.231 -2.552 17.050 70 1HB GLN 11 HB2 GLN 11 -1.649 -4.767 15.719 71 2HB GLN 11 HB1 GLN 11 -0.990 -3.305 16.451 72 1HG GLN 11 HG2 GLN 11 -2.753 -5.014 18.145 73 2HG GLN 11 HG1 GLN 11 -1.131 -5.611 17.797 74 1HE2 GLN 11 HE21 GLN 11 0.368 -3.239 17.794 75 2HE2 GLN 11 HE22 GLN 11 0.298 -2.523 19.330 76 HA PRO 12 HA PRO 12 -3.770 -0.483 13.216 77 1HB PRO 12 HB2 PRO 12 -1.059 0.464 13.037 78 2HB PRO 12 HB1 PRO 12 -2.499 1.360 13.541 79 1HG PRO 12 HG2 PRO 12 -0.385 0.192 15.161 80 2HG PRO 12 HG1 PRO 12 -1.610 1.390 15.598 81 1HD PRO 12 HD2 PRO 12 -1.597 -1.211 16.515 82 2HD PRO 12 HD1 PRO 12 -3.054 -0.200 16.414 83 H LEU 13 HN LEU 13 -3.058 -0.525 10.964 84 HA LEU 13 HA LEU 13 -1.892 -3.091 10.263 85 1HB LEU 13 HB2 LEU 13 -3.959 -2.042 9.173 86 2HB LEU 13 HB1 LEU 13 -2.830 -0.970 8.350 87 HG LEU 13 HG LEU 13 -2.588 -3.983 8.275 88 1HD1 LEU 13 HD11 LEU 13 -4.347 -3.974 6.866 89 2HD1 LEU 13 HD12 LEU 13 -3.384 -2.988 5.765 90 3HD1 LEU 13 HD13 LEU 13 -4.451 -2.214 6.938 91 1HD2 LEU 13 HD21 LEU 13 -0.557 -3.341 7.463 92 2HD2 LEU 13 HD22 LEU 13 -1.085 -1.682 7.203 93 3HD2 LEU 13 HD23 LEU 13 -1.454 -2.921 6.006 94 H LEU 14 HN LEU 14 0.101 -3.414 9.434 95 HA LEU 14 HA LEU 14 1.850 -1.077 9.244 96 1HB LEU 14 HB2 LEU 14 2.521 -4.026 9.186 97 2HB LEU 14 HB1 LEU 14 3.654 -2.689 9.357 98 HG LEU 14 HG LEU 14 1.501 -3.528 11.305 99 1HD1 LEU 14 HD11 LEU 14 4.493 -3.190 11.656 100 2HD1 LEU 14 HD12 LEU 14 3.702 -4.734 11.340 101 3HD1 LEU 14 HD13 LEU 14 3.357 -3.856 12.830 102 1HD2 LEU 14 HD21 LEU 14 2.554 -1.551 12.641 103 2HD2 LEU 14 HD22 LEU 14 1.374 -1.179 11.382 104 3HD2 LEU 14 HD23 LEU 14 3.097 -0.983 11.062 105 H LEU 15 HN LEU 15 1.970 -0.172 7.328 106 HA LEU 15 HA LEU 15 2.133 -1.890 4.932 107 1HB LEU 15 HB2 LEU 15 -0.091 -0.656 5.290 108 2HB LEU 15 HB1 LEU 15 0.812 0.829 5.012 109 HG LEU 15 HG LEU 15 -0.294 -0.028 2.955 110 1HD1 LEU 15 HD11 LEU 15 2.151 1.089 3.205 111 2HD1 LEU 15 HD12 LEU 15 1.428 0.700 1.650 112 3HD1 LEU 15 HD13 LEU 15 2.591 -0.406 2.380 113 1HD2 LEU 15 HD21 LEU 15 0.032 -2.149 2.147 114 2HD2 LEU 15 HD22 LEU 15 0.372 -2.497 3.837 115 3HD2 LEU 15 HD23 LEU 15 1.702 -2.220 2.711 116 H GLN 16 HN GLN 16 3.864 -1.448 3.614 117 HA GLN 16 HA GLN 16 5.232 1.135 4.037 118 1HB GLN 16 HB2 GLN 16 6.484 -1.606 4.086 119 2HB GLN 16 HB1 GLN 16 7.417 -0.125 3.857 120 1HG GLN 16 HG2 GLN 16 6.523 0.764 5.975 121 2HG GLN 16 HG1 GLN 16 5.603 -0.719 6.211 122 1HE2 GLN 16 HE21 GLN 16 8.085 0.586 7.640 123 2HE2 GLN 16 HE22 GLN 16 9.156 -0.723 7.788 124 H LEU 17 HN LEU 17 6.651 1.789 2.350 125 HA LEU 17 HA LEU 17 6.147 0.518 -0.258 126 1HB LEU 17 HB2 LEU 17 4.658 2.455 -0.024 127 2HB LEU 17 HB1 LEU 17 6.043 3.478 0.346 128 HG LEU 17 HG LEU 17 6.984 2.641 -1.933 129 1HD1 LEU 17 HD11 LEU 17 4.180 2.418 -2.838 130 2HD1 LEU 17 HD12 LEU 17 4.764 1.056 -1.887 131 3HD1 LEU 17 HD13 LEU 17 5.605 1.524 -3.364 132 1HD2 LEU 17 HD21 LEU 17 4.542 4.440 -1.901 133 2HD2 LEU 17 HD22 LEU 17 5.849 4.462 -3.086 134 3HD2 LEU 17 HD23 LEU 17 6.162 4.947 -1.419 135 H PHE 18 HN PHE 18 7.932 0.197 -1.439 136 HA PHE 18 HA PHE 18 10.465 1.326 -0.462 137 1HB PHE 18 HB2 PHE 18 9.747 -0.984 -2.253 138 2HB PHE 18 HB1 PHE 18 11.378 -0.311 -2.264 139 HD1 PHE 18 HD1 PHE 18 8.801 -1.099 0.347 140 HD2 PHE 18 HD2 PHE 18 12.878 -1.469 -0.937 141 HE1 PHE 18 HE1 PHE 18 9.340 -2.355 2.419 142 HE2 PHE 18 HE2 PHE 18 13.426 -2.727 1.126 143 HZ PHE 18 HZ PHE 18 11.649 -3.164 2.810 144 H VAL 19 HN VAL 19 11.301 3.065 -1.427 145 HA VAL 19 HA VAL 19 10.669 3.480 -4.290 146 HB VAL 19 HB VAL 19 10.236 5.799 -3.930 147 1HG1 VAL 19 HG11 VAL 19 8.283 5.701 -2.465 148 2HG1 VAL 19 HG12 VAL 19 8.906 4.246 -1.689 149 3HG1 VAL 19 HG13 VAL 19 8.398 4.193 -3.375 150 1HG2 VAL 19 HG21 VAL 19 11.062 5.282 -1.054 151 2HG2 VAL 19 HG22 VAL 19 10.410 6.804 -1.659 152 3HG2 VAL 19 HG23 VAL 19 11.971 6.220 -2.238 153 H ASP 20 HN ASP 20 12.170 4.741 -5.468 154 HA ASP 20 HA ASP 20 14.905 4.547 -4.411 155 1HB ASP 20 HB2 ASP 20 15.635 4.663 -6.712 156 2HB ASP 20 HB1 ASP 20 14.360 3.452 -6.586 157 H THR 21 HN THR 21 12.823 6.710 -3.887 158 HA THR 21 HA THR 21 12.985 8.950 -3.361 159 HB THR 21 HB THR 21 15.041 10.068 -3.440 160 HG1 THR 21 HG1 THR 21 16.285 9.964 -5.123 161 1HG2 THR 21 HG21 THR 21 14.959 7.411 -2.571 162 2HG2 THR 21 HG22 THR 21 16.165 8.621 -2.131 163 3HG2 THR 21 HG23 THR 21 16.461 7.532 -3.487 164 H ARG 22 HN ARG 22 12.616 7.612 -6.296 165 HA ARG 22 HA ARG 22 12.823 9.902 -8.014 166 1HB ARG 22 HB2 ARG 22 11.937 8.520 -9.706 167 2HB ARG 22 HB1 ARG 22 12.840 7.405 -8.678 168 1HG ARG 22 HG2 ARG 22 10.675 6.986 -7.423 169 2HG ARG 22 HG1 ARG 22 9.858 7.884 -8.700 170 1HD ARG 22 HD2 ARG 22 11.342 5.269 -8.905 171 2HD ARG 22 HD1 ARG 22 9.686 5.628 -9.385 172 HE ARG 22 HE ARG 22 11.633 7.167 -10.852 173 1HH1 ARG 22 HH11 ARG 22 11.522 3.868 -10.671 174 2HH1 ARG 22 HH12 ARG 22 11.016 3.582 -12.302 175 1HH2 ARG 22 HH21 ARG 22 10.306 6.915 -12.946 176 2HH2 ARG 22 HH22 ARG 22 10.329 5.307 -13.591 177 HA PRO 23 HA PRO 23 9.160 12.098 -6.885 178 1HB PRO 23 HB2 PRO 23 8.440 12.725 -9.590 179 2HB PRO 23 HB1 PRO 23 9.232 13.767 -8.401 180 1HG PRO 23 HG2 PRO 23 10.361 12.386 -10.669 181 2HG PRO 23 HG1 PRO 23 11.079 13.638 -9.647 182 1HD PRO 23 HD2 PRO 23 11.835 10.947 -9.676 183 2HD PRO 23 HD1 PRO 23 12.215 12.110 -8.390 184 H LEU 24 HN LEU 24 8.989 9.814 -9.594 185 HA LEU 24 HA LEU 24 6.226 9.580 -9.863 186 1HB LEU 24 HB2 LEU 24 7.871 8.512 -11.370 187 2HB LEU 24 HB1 LEU 24 8.276 7.362 -10.096 188 HG LEU 24 HG LEU 24 5.739 6.845 -10.045 189 1HD1 LEU 24 HD11 LEU 24 5.790 8.879 -12.012 190 2HD1 LEU 24 HD12 LEU 24 4.414 7.879 -11.546 191 3HD1 LEU 24 HD13 LEU 24 5.462 7.375 -12.872 192 1HD2 LEU 24 HD21 LEU 24 6.102 5.426 -12.236 193 2HD2 LEU 24 HD22 LEU 24 7.096 5.113 -10.812 194 3HD2 LEU 24 HD23 LEU 24 7.741 6.072 -12.143 195 H SER 25 HN SER 25 8.427 7.920 -7.622 196 HA SER 25 HA SER 25 6.497 6.248 -6.410 197 1HB SER 25 HB2 SER 25 9.018 7.379 -5.172 198 2HB SER 25 HB1 SER 25 8.129 5.959 -4.634 199 HG SER 25 HG SER 25 8.737 4.886 -6.443 200 H GLN 26 HN GLN 26 7.717 9.490 -5.640 201 HA GLN 26 HA GLN 26 6.169 9.883 -3.289 202 1HB GLN 26 HB2 GLN 26 7.391 11.803 -5.287 203 2HB GLN 26 HB1 GLN 26 6.534 12.342 -3.841 204 1HG GLN 26 HG2 GLN 26 9.167 11.954 -3.809 205 2HG GLN 26 HG1 GLN 26 8.174 11.558 -2.409 206 1HE2 GLN 26 HE21 GLN 26 7.925 9.319 -1.850 207 2HE2 GLN 26 HE22 GLN 26 8.751 8.079 -2.663 208 H HIS 27 HN HIS 27 5.643 10.174 -6.688 209 HA HIS 27 HA HIS 27 3.185 11.593 -6.717 210 1HB HIS 27 HB2 HIS 27 4.960 10.792 -8.574 211 2HB HIS 27 HB1 HIS 27 3.786 9.491 -8.743 212 HD1 HIS 27 HD1 HIS 27 1.217 11.261 -8.194 213 HD2 HIS 27 HD2 HIS 27 4.293 12.190 -10.855 214 HE1 HIS 27 HE1 HIS 27 0.228 12.855 -9.900 215 H ILE 28 HN ILE 28 3.977 8.146 -7.045 216 HA ILE 28 HA ILE 28 1.323 7.181 -6.879 217 HB ILE 28 HB ILE 28 3.982 5.839 -6.340 218 1HG1 ILE 28 HG12 ILE 28 2.087 5.759 -8.712 219 2HG1 ILE 28 HG11 ILE 28 3.607 6.653 -8.652 220 1HG2 ILE 28 HG21 ILE 28 2.744 4.178 -5.429 221 2HG2 ILE 28 HG22 ILE 28 2.104 3.905 -7.051 222 3HG2 ILE 28 HG23 ILE 28 1.231 4.939 -5.920 223 1HD1 ILE 28 HD11 ILE 28 4.653 4.791 -9.370 224 2HD1 ILE 28 HD12 ILE 28 3.172 3.846 -9.216 225 3HD1 ILE 28 HD13 ILE 28 4.244 4.035 -7.829 226 H VAL 29 HN VAL 29 3.770 7.953 -4.477 227 HA VAL 29 HA VAL 29 2.683 6.641 -2.259 228 HB VAL 29 HB VAL 29 4.219 9.234 -2.474 229 1HG1 VAL 29 HG11 VAL 29 4.560 8.918 0.012 230 2HG1 VAL 29 HG12 VAL 29 3.282 7.704 -0.030 231 3HG1 VAL 29 HG13 VAL 29 2.920 9.380 -0.441 232 1HG2 VAL 29 HG21 VAL 29 4.954 6.541 -2.702 233 2HG2 VAL 29 HG22 VAL 29 5.409 6.982 -1.057 234 3HG2 VAL 29 HG23 VAL 29 6.045 7.896 -2.423 235 H GLN 30 HN GLN 30 1.969 9.838 -3.622 236 HA GLN 30 HA GLN 30 0.085 10.638 -1.682 237 1HB GLN 30 HB2 GLN 30 0.266 11.299 -4.632 238 2HB GLN 30 HB1 GLN 30 -0.843 12.086 -3.510 239 1HG GLN 30 HG2 GLN 30 2.174 12.033 -3.256 240 2HG GLN 30 HG1 GLN 30 1.212 13.409 -3.793 241 1HE2 GLN 30 HE21 GLN 30 0.101 14.653 -2.191 242 2HE2 GLN 30 HE22 GLN 30 0.263 14.360 -0.527 243 H ARG 31 HN ARG 31 -0.210 8.799 -4.697 244 HA ARG 31 HA ARG 31 -3.025 8.487 -4.601 245 1HB ARG 31 HB2 ARG 31 -0.883 6.757 -5.852 246 2HB ARG 31 HB1 ARG 31 -2.615 6.511 -6.087 247 1HG ARG 31 HG2 ARG 31 -2.765 8.894 -6.884 248 2HG ARG 31 HG1 ARG 31 -1.003 8.960 -6.840 249 1HD ARG 31 HD2 ARG 31 -2.653 7.000 -8.452 250 2HD ARG 31 HD1 ARG 31 -1.825 8.411 -9.102 251 HE ARG 31 HE ARG 31 -0.135 6.517 -7.669 252 1HH1 ARG 31 HH11 ARG 31 0.996 8.309 -9.744 253 2HH1 ARG 31 HH12 ARG 31 1.154 7.268 -11.119 254 1HH2 ARG 31 HH21 ARG 31 -0.994 4.850 -9.871 255 2HH2 ARG 31 HH22 ARG 31 0.027 5.312 -11.192 256 H VAL 32 HN VAL 32 -0.348 6.628 -3.241 257 HA VAL 32 HA VAL 32 -1.910 4.476 -2.240 258 HB VAL 32 HB VAL 32 0.748 5.603 -1.307 259 1HG1 VAL 32 HG11 VAL 32 -0.462 2.883 -0.733 260 2HG1 VAL 32 HG12 VAL 32 -0.497 4.226 0.411 261 3HG1 VAL 32 HG13 VAL 32 1.045 3.538 -0.094 262 1HG2 VAL 32 HG21 VAL 32 0.256 4.511 -3.702 263 2HG2 VAL 32 HG22 VAL 32 0.434 3.022 -2.774 264 3HG2 VAL 32 HG23 VAL 32 1.753 4.191 -2.828 265 H LYS 33 HN LYS 33 -0.615 7.405 -0.694 266 HA LYS 33 HA LYS 33 -1.822 7.036 1.820 267 1HB LYS 33 HB2 LYS 33 -0.878 9.517 0.390 268 2HB LYS 33 HB1 LYS 33 -1.411 9.493 2.069 269 1HG LYS 33 HG2 LYS 33 0.302 7.723 2.532 270 2HG LYS 33 HG1 LYS 33 0.895 7.928 0.882 271 1HD LYS 33 HD2 LYS 33 1.279 10.347 1.368 272 2HD LYS 33 HD1 LYS 33 0.805 10.051 3.040 273 1HE LYS 33 HE2 LYS 33 2.765 8.096 2.278 274 2HE LYS 33 HE1 LYS 33 3.375 9.700 1.874 275 1HZ LYS 33 HZ1 LYS 33 3.025 10.431 4.088 276 2HZ LYS 33 HZ2 LYS 33 3.863 8.956 4.181 277 3HZ LYS 33 HZ3 LYS 33 2.196 9.011 4.507 278 H ASN 34 HN ASN 34 -2.907 8.798 -1.067 279 HA ASN 34 HA ASN 34 -5.176 10.005 0.061 280 1HB ASN 34 HB2 ASN 34 -4.672 9.115 -2.786 281 2HB ASN 34 HB1 ASN 34 -5.945 10.215 -2.277 282 1HD2 ASN 34 HD21 ASN 34 -3.310 10.564 -3.941 283 2HD2 ASN 34 HD22 ASN 34 -2.590 11.934 -3.238 284 H ILE 35 HN ILE 35 -4.839 6.912 -1.663 285 HA ILE 35 HA ILE 35 -7.601 6.231 -1.499 286 HB ILE 35 HB ILE 35 -5.182 4.479 -1.918 287 1HG1 ILE 35 HG12 ILE 35 -7.133 5.604 -3.945 288 2HG1 ILE 35 HG11 ILE 35 -5.600 6.383 -3.559 289 1HG2 ILE 35 HG21 ILE 35 -8.137 4.001 -2.414 290 2HG2 ILE 35 HG22 ILE 35 -7.142 3.186 -1.208 291 3HG2 ILE 35 HG23 ILE 35 -6.839 2.919 -2.924 292 1HD1 ILE 35 HD11 ILE 35 -4.921 3.708 -3.987 293 2HD1 ILE 35 HD12 ILE 35 -4.654 5.043 -5.107 294 3HD1 ILE 35 HD13 ILE 35 -6.112 4.060 -5.239 295 H LEU 36 HN LEU 36 -4.752 5.140 0.364 296 HA LEU 36 HA LEU 36 -6.113 3.374 2.066 297 1HB LEU 36 HB2 LEU 36 -3.632 5.034 2.569 298 2HB LEU 36 HB1 LEU 36 -4.191 3.732 3.621 299 HG LEU 36 HG LEU 36 -3.545 3.402 0.677 300 1HD1 LEU 36 HD11 LEU 36 -1.964 2.316 3.007 301 2HD1 LEU 36 HD12 LEU 36 -1.616 3.908 2.330 302 3HD1 LEU 36 HD13 LEU 36 -1.469 2.469 1.321 303 1HD2 LEU 36 HD21 LEU 36 -4.815 1.736 2.737 304 2HD2 LEU 36 HD22 LEU 36 -3.457 0.941 1.941 305 3HD2 LEU 36 HD23 LEU 36 -4.810 1.543 0.983 306 H ALA 37 HN ALA 37 -5.524 6.845 2.318 307 HA ALA 37 HA ALA 37 -6.649 7.150 4.917 308 1HB ALA 37 HB1 ALA 37 -6.879 9.588 4.137 309 2HB ALA 37 HB2 ALA 37 -6.097 9.061 2.647 310 3HB ALA 37 HB3 ALA 37 -5.249 8.918 4.186 311 H ALA 38 HN ALA 38 -7.929 6.617 1.798 312 HA ALA 38 HA ALA 38 -10.506 7.827 2.333 313 1HB ALA 38 HB1 ALA 38 -10.997 7.420 0.125 314 2HB ALA 38 HB2 ALA 38 -10.101 5.902 0.095 315 3HB ALA 38 HB3 ALA 38 -9.235 7.437 0.039 316 H VAL 39 HN VAL 39 -9.017 4.885 3.110 317 HA VAL 39 HA VAL 39 -11.447 3.290 3.030 318 HB VAL 39 HB VAL 39 -9.068 2.419 2.632 319 1HG1 VAL 39 HG11 VAL 39 -8.602 3.579 5.086 320 2HG1 VAL 39 HG12 VAL 39 -7.579 2.349 4.344 321 3HG1 VAL 39 HG13 VAL 39 -8.813 1.882 5.515 322 1HG2 VAL 39 HG21 VAL 39 -10.923 1.107 4.644 323 2HG2 VAL 39 HG22 VAL 39 -9.612 0.271 3.812 324 3HG2 VAL 39 HG23 VAL 39 -10.970 0.917 2.891 325 H GLU 40 HN GLU 40 -10.135 5.554 5.143 326 HA GLU 40 HA GLU 40 -10.363 5.929 7.433 327 1HB GLU 40 HB2 GLU 40 -13.166 5.132 6.601 328 2HB GLU 40 HB1 GLU 40 -12.754 6.036 8.058 329 1HG GLU 40 HG2 GLU 40 -11.743 7.812 6.664 330 2HG GLU 40 HG1 GLU 40 -12.186 6.916 5.213 331 H ALA 41 HN ALA 41 -12.968 4.186 8.347 332 HA ALA 41 HA ALA 41 -13.316 2.137 9.378 333 1HB ALA 41 HB1 ALA 41 -10.485 1.275 9.027 334 2HB ALA 41 HB2 ALA 41 -11.491 1.403 7.585 335 3HB ALA 41 HB3 ALA 41 -11.972 0.336 8.903 336 H THR 42 HN THR 42 -12.491 0.945 11.348 337 HA THR 42 HA THR 42 -11.519 2.913 13.262 338 HB THR 42 HB THR 42 -12.042 1.120 14.928 339 HG1 THR 42 HG1 THR 42 -11.878 -0.751 13.898 340 1HG2 THR 42 HG21 THR 42 -13.700 2.852 13.988 341 2HG2 THR 42 HG22 THR 42 -14.382 1.443 14.802 342 3HG2 THR 42 HG23 THR 42 -14.359 1.519 13.039 343 H VAL 43 HN VAL 43 -10.125 0.635 11.250 344 HA VAL 43 HA VAL 43 -7.831 0.248 13.070 345 HB VAL 43 HB VAL 43 -7.339 -1.649 11.374 346 1HG1 VAL 43 HG11 VAL 43 -7.870 -2.365 13.529 347 2HG1 VAL 43 HG12 VAL 43 -9.197 -3.061 12.598 348 3HG1 VAL 43 HG13 VAL 43 -9.445 -1.572 13.510 349 1HG2 VAL 43 HG21 VAL 43 -10.324 -1.535 10.995 350 2HG2 VAL 43 HG22 VAL 43 -9.130 -2.452 10.076 351 3HG2 VAL 43 HG23 VAL 43 -9.244 -0.704 9.876 352 HA PRO 44 HA PRO 44 -6.667 3.196 9.608 353 1HB PRO 44 HB2 PRO 44 -4.749 4.305 11.436 354 2HB PRO 44 HB1 PRO 44 -6.193 5.071 10.763 355 1HG PRO 44 HG2 PRO 44 -5.761 4.042 13.408 356 2HG PRO 44 HG1 PRO 44 -7.140 4.949 12.775 357 1HD PRO 44 HD2 PRO 44 -7.111 2.225 13.492 358 2HD PRO 44 HD1 PRO 44 -8.398 3.067 12.612 359 H ILE 45 HN ILE 45 -4.720 3.255 8.409 360 HA ILE 45 HA ILE 45 -2.865 1.053 9.049 361 HB ILE 45 HB ILE 45 -3.183 2.474 6.405 362 1HG1 ILE 45 HG12 ILE 45 -4.274 -0.142 6.318 363 2HG1 ILE 45 HG11 ILE 45 -4.981 0.645 7.729 364 1HG2 ILE 45 HG21 ILE 45 -1.397 0.468 7.474 365 2HG2 ILE 45 HG22 ILE 45 -1.387 1.213 5.873 366 3HG2 ILE 45 HG23 ILE 45 -2.360 -0.228 6.169 367 1HD1 ILE 45 HD11 ILE 45 -4.866 1.918 4.982 368 2HD1 ILE 45 HD12 ILE 45 -5.752 2.503 6.390 369 3HD1 ILE 45 HD13 ILE 45 -6.260 1.021 5.580 370 H SER 46 HN SER 46 -0.665 1.392 9.170 371 HA SER 46 HA SER 46 0.197 4.216 9.225 372 1HB SER 46 HB2 SER 46 0.585 2.861 11.278 373 2HB SER 46 HB1 SER 46 1.578 1.755 10.334 374 HG SER 46 HG SER 46 2.802 3.724 9.760 375 H LEU 47 HN LEU 47 1.261 4.928 7.480 376 HA LEU 47 HA LEU 47 2.498 2.944 5.695 377 1HB LEU 47 HB2 LEU 47 0.776 4.911 5.070 378 2HB LEU 47 HB1 LEU 47 2.292 5.793 4.889 379 HG LEU 47 HG LEU 47 1.435 3.267 3.458 380 1HD1 LEU 47 HD11 LEU 47 2.336 4.911 1.554 381 2HD1 LEU 47 HD12 LEU 47 1.904 6.129 2.753 382 3HD1 LEU 47 HD13 LEU 47 0.681 5.009 2.154 383 1HD2 LEU 47 HD21 LEU 47 4.169 4.458 3.865 384 2HD2 LEU 47 HD22 LEU 47 3.786 3.641 2.350 385 3HD2 LEU 47 HD23 LEU 47 3.685 2.762 3.873 386 H GLN 48 HN GLN 48 4.627 2.797 5.456 387 HA GLN 48 HA GLN 48 6.333 5.059 6.273 388 1HB GLN 48 HB2 GLN 48 6.088 2.726 7.777 389 2HB GLN 48 HB1 GLN 48 7.544 2.462 6.817 390 1HG GLN 48 HG2 GLN 48 8.426 3.593 8.643 391 2HG GLN 48 HG1 GLN 48 8.127 4.925 7.528 392 1HE2 GLN 48 HE21 GLN 48 6.701 6.559 8.227 393 2HE2 GLN 48 HE22 GLN 48 5.774 6.465 9.646 394 H VAL 49 HN VAL 49 7.855 5.518 4.783 395 HA VAL 49 HA VAL 49 8.095 3.724 2.474 396 HB VAL 49 HB VAL 49 9.284 6.485 2.788 397 1HG1 VAL 49 HG11 VAL 49 9.124 6.323 0.244 398 2HG1 VAL 49 HG12 VAL 49 8.787 4.607 0.474 399 3HG1 VAL 49 HG13 VAL 49 10.326 5.282 1.012 400 1HG2 VAL 49 HG21 VAL 49 7.313 7.276 1.516 401 2HG2 VAL 49 HG22 VAL 49 6.822 6.574 3.057 402 3HG2 VAL 49 HG23 VAL 49 6.630 5.651 1.566 403 H ILE 50 HN ILE 50 9.952 2.730 1.886 404 HA ILE 50 HA ILE 50 12.269 3.102 3.685 405 HB ILE 50 HB ILE 50 11.515 0.569 2.211 406 1HG1 ILE 50 HG12 ILE 50 10.945 1.504 5.035 407 2HG1 ILE 50 HG11 ILE 50 9.788 0.936 3.833 408 1HG2 ILE 50 HG21 ILE 50 13.396 1.005 4.544 409 2HG2 ILE 50 HG22 ILE 50 13.931 0.996 2.863 410 3HG2 ILE 50 HG23 ILE 50 13.215 -0.453 3.568 411 1HD1 ILE 50 HD11 ILE 50 11.323 -1.244 3.924 412 2HD1 ILE 50 HD12 ILE 50 10.009 -0.995 5.073 413 3HD1 ILE 50 HD13 ILE 50 11.669 -0.630 5.541 414 H ASN 51 HN ASN 51 14.132 3.668 2.720 415 HA ASN 51 HA ASN 51 14.105 4.134 -0.124 416 1HB ASN 51 HB2 ASN 51 16.113 4.653 2.069 417 2HB ASN 51 HB1 ASN 51 16.482 4.948 0.374 418 1HD2 ASN 51 HD21 ASN 51 14.570 6.286 -0.768 419 2HD2 ASN 51 HD22 ASN 51 14.008 7.614 0.128 420 H VAL 52 HN VAL 52 14.444 2.444 -1.436 421 HA VAL 52 HA VAL 52 15.645 0.009 -0.761 422 HB VAL 52 HB VAL 52 15.731 -0.425 -3.167 423 1HG1 VAL 52 HG11 VAL 52 13.247 0.894 -3.426 424 2HG1 VAL 52 HG12 VAL 52 13.417 0.516 -1.711 425 3HG1 VAL 52 HG13 VAL 52 13.521 -0.771 -2.915 426 1HG2 VAL 52 HG21 VAL 52 16.539 1.498 -4.205 427 2HG2 VAL 52 HG22 VAL 52 15.506 2.566 -3.257 428 3HG2 VAL 52 HG23 VAL 52 14.818 1.620 -4.575 429 H ALA 53 HN ALA 53 17.056 3.018 -1.821 430 HA ALA 53 HA ALA 53 19.591 1.961 -2.590 431 1HB ALA 53 HB1 ALA 53 18.803 4.757 -1.736 432 2HB ALA 53 HB2 ALA 53 18.826 4.146 -3.390 433 3HB ALA 53 HB3 ALA 53 20.333 4.315 -2.491 434 H ASP 54 HN ASP 54 18.082 2.570 0.425 435 HA ASP 54 HA ASP 54 20.624 2.804 1.831 436 1HB ASP 54 HB2 ASP 54 17.758 2.928 2.771 437 2HB ASP 54 HB1 ASP 54 19.145 3.025 3.854 438 H GLN 55 HN GLN 55 18.176 0.439 1.098 439 HA GLN 55 HA GLN 55 19.778 -1.563 2.513 440 1HB GLN 55 HB2 GLN 55 17.747 -2.535 3.544 441 2HB GLN 55 HB1 GLN 55 18.092 -0.906 4.130 442 1HG GLN 55 HG2 GLN 55 16.519 -0.242 2.075 443 2HG GLN 55 HG1 GLN 55 15.870 -1.853 2.381 444 1HE2 GLN 55 HE21 GLN 55 16.212 1.394 3.730 445 2HE2 GLN 55 HE22 GLN 55 15.173 1.147 5.049 446 HA PRO 56 HA PRO 56 18.191 -2.942 -1.636 447 1HB PRO 56 HB2 PRO 56 20.894 -3.657 -2.322 448 2HB PRO 56 HB1 PRO 56 19.872 -2.411 -3.054 449 1HG PRO 56 HG2 PRO 56 22.137 -1.977 -1.508 450 2HG PRO 56 HG1 PRO 56 20.911 -0.773 -1.928 451 1HD PRO 56 HD2 PRO 56 21.348 -2.184 0.641 452 2HD PRO 56 HD1 PRO 56 20.549 -0.629 0.328 453 H GLN 57 HN GLN 57 19.857 -4.208 1.009 454 HA GLN 57 HA GLN 57 20.284 -6.889 0.134 455 1HB GLN 57 HB2 GLN 57 21.548 -6.142 2.003 456 2HB GLN 57 HB1 GLN 57 20.104 -5.597 2.855 457 1HG GLN 57 HG2 GLN 57 19.317 -7.895 3.084 458 2HG GLN 57 HG1 GLN 57 20.688 -8.484 2.136 459 1HE2 GLN 57 HE21 GLN 57 20.861 -9.730 4.394 460 2HE2 GLN 57 HE22 GLN 57 21.859 -8.985 5.548 461 H LEU 58 HN LEU 58 17.725 -5.362 2.112 462 HA LEU 58 HA LEU 58 16.267 -7.809 2.337 463 1HB LEU 58 HB2 LEU 58 14.830 -6.637 3.686 464 2HB LEU 58 HB1 LEU 58 16.247 -5.600 3.805 465 HG LEU 58 HG LEU 58 15.190 -4.455 1.670 466 1HD1 LEU 58 HD11 LEU 58 12.981 -4.858 1.277 467 2HD1 LEU 58 HD12 LEU 58 12.621 -5.089 2.989 468 3HD1 LEU 58 HD13 LEU 58 13.336 -6.399 2.056 469 1HD2 LEU 58 HD21 LEU 58 15.582 -3.423 3.913 470 2HD2 LEU 58 HD22 LEU 58 14.040 -4.083 4.457 471 3HD2 LEU 58 HD23 LEU 58 14.077 -2.868 3.182 472 H VAL 59 HN VAL 59 16.472 -5.255 0.016 473 HA VAL 59 HA VAL 59 13.980 -5.595 -1.313 474 HB VAL 59 HB VAL 59 16.675 -4.698 -2.350 475 1HG1 VAL 59 HG11 VAL 59 14.022 -4.096 -3.593 476 2HG1 VAL 59 HG12 VAL 59 14.924 -5.539 -4.048 477 3HG1 VAL 59 HG13 VAL 59 15.623 -3.942 -4.303 478 1HG2 VAL 59 HG21 VAL 59 15.196 -2.473 -2.256 479 2HG2 VAL 59 HG22 VAL 59 16.112 -3.031 -0.859 480 3HG2 VAL 59 HG23 VAL 59 14.388 -3.373 -0.974 481 H GLU 60 HN GLU 60 17.180 -7.095 -1.652 482 HA GLU 60 HA GLU 60 16.521 -8.739 -3.882 483 1HB GLU 60 HB2 GLU 60 18.673 -8.959 -1.767 484 2HB GLU 60 HB1 GLU 60 18.558 -10.036 -3.159 485 1HG GLU 60 HG2 GLU 60 18.692 -8.089 -4.673 486 2HG GLU 60 HG1 GLU 60 18.831 -7.018 -3.280 487 H TYR 61 HN TYR 61 16.281 -9.114 -0.391 488 HA TYR 61 HA TYR 61 15.796 -11.859 -0.212 489 1HB TYR 61 HB2 TYR 61 16.082 -10.430 1.760 490 2HB TYR 61 HB1 TYR 61 14.562 -9.612 1.402 491 HD1 TYR 61 HD1 TYR 61 16.086 -12.835 2.425 492 HD2 TYR 61 HD2 TYR 61 12.442 -10.624 1.894 493 HE1 TYR 61 HE1 TYR 61 14.841 -14.588 3.662 494 HE2 TYR 61 HE2 TYR 61 11.197 -12.377 3.130 495 HH TYR 61 HH TYR 61 12.572 -15.426 3.877 496 H TYR 62 HN TYR 62 13.584 -9.181 -0.859 497 HA TYR 62 HA TYR 62 11.356 -11.006 -1.308 498 1HB TYR 62 HB2 TYR 62 11.612 -7.997 -1.363 499 2HB TYR 62 HB1 TYR 62 10.117 -8.852 -1.706 500 HD1 TYR 62 HD1 TYR 62 11.612 -7.026 0.722 501 HD2 TYR 62 HD2 TYR 62 9.845 -10.915 0.242 502 HE1 TYR 62 HE1 TYR 62 11.138 -7.109 3.154 503 HE2 TYR 62 HE2 TYR 62 9.381 -11.001 2.676 504 HH TYR 62 HH TYR 62 9.964 -10.032 4.695 505 H ARG 63 HN ARG 63 13.900 -10.569 -3.096 506 HA ARG 63 HA ARG 63 14.383 -10.438 -5.353 507 1HB ARG 63 HB2 ARG 63 11.586 -11.586 -5.363 508 2HB ARG 63 HB1 ARG 63 12.509 -11.351 -6.847 509 1HG ARG 63 HG2 ARG 63 13.772 -12.800 -4.539 510 2HG ARG 63 HG1 ARG 63 12.643 -13.656 -5.589 511 1HD ARG 63 HD2 ARG 63 15.038 -12.108 -6.613 512 2HD ARG 63 HD1 ARG 63 15.057 -13.841 -6.301 513 HE ARG 63 HE ARG 63 12.977 -12.846 -8.107 514 1HH1 ARG 63 HH11 ARG 63 16.053 -14.359 -7.625 515 2HH1 ARG 63 HH12 ARG 63 16.105 -15.071 -9.203 516 1HH2 ARG 63 HH21 ARG 63 13.037 -13.782 -10.177 517 2HH2 ARG 63 HH22 ARG 63 14.397 -14.746 -10.648 518 H LEU 64 HN LEU 64 12.604 -8.370 -3.817 519 HA LEU 64 HA LEU 64 11.050 -6.953 -5.665 520 1HB LEU 64 HB2 LEU 64 11.239 -6.796 -3.083 521 2HB LEU 64 HB1 LEU 64 12.548 -5.669 -3.390 522 HG LEU 64 HG LEU 64 10.327 -4.581 -3.039 523 1HD1 LEU 64 HD11 LEU 64 12.137 -3.523 -4.392 524 2HD1 LEU 64 HD12 LEU 64 10.518 -3.019 -4.864 525 3HD1 LEU 64 HD13 LEU 64 11.391 -4.197 -5.839 526 1HD2 LEU 64 HD21 LEU 64 9.489 -5.415 -5.762 527 2HD2 LEU 64 HD22 LEU 64 8.510 -5.024 -4.352 528 3HD2 LEU 64 HD23 LEU 64 9.298 -6.592 -4.464 529 H VAL 65 HN VAL 65 12.802 -7.332 -7.434 530 HA VAL 65 HA VAL 65 14.962 -5.390 -7.425 531 HB VAL 65 HB VAL 65 14.080 -6.999 -9.800 532 1HG1 VAL 65 HG11 VAL 65 15.918 -5.268 -9.934 533 2HG1 VAL 65 HG12 VAL 65 16.430 -6.901 -10.363 534 3HG1 VAL 65 HG13 VAL 65 16.832 -6.238 -8.778 535 1HG2 VAL 65 HG21 VAL 65 14.980 -7.991 -7.202 536 2HG2 VAL 65 HG22 VAL 65 16.059 -8.479 -8.509 537 3HG2 VAL 65 HG23 VAL 65 14.344 -8.887 -8.582 538 H VAL 66 HN VAL 66 11.730 -5.094 -7.896 539 HA VAL 66 HA VAL 66 12.043 -3.084 -10.035 540 HB VAL 66 HB VAL 66 9.573 -3.374 -10.309 541 1HG1 VAL 66 HG11 VAL 66 11.082 -4.516 -11.826 542 2HG1 VAL 66 HG12 VAL 66 9.771 -5.618 -11.407 543 3HG1 VAL 66 HG13 VAL 66 11.352 -5.798 -10.645 544 1HG2 VAL 66 HG21 VAL 66 9.377 -4.358 -7.936 545 2HG2 VAL 66 HG22 VAL 66 9.916 -5.872 -8.662 546 3HG2 VAL 66 HG23 VAL 66 8.417 -5.116 -9.207 547 H THR 67 HN THR 67 11.305 -1.033 -9.739 548 HA THR 67 HA THR 67 9.943 -0.365 -7.225 549 HB THR 67 HB THR 67 11.455 1.624 -6.965 550 HG1 THR 67 HG1 THR 67 12.184 1.261 -9.268 551 1HG2 THR 67 HG21 THR 67 11.883 -1.078 -6.264 552 2HG2 THR 67 HG22 THR 67 12.560 0.349 -5.479 553 3HG2 THR 67 HG23 THR 67 13.452 -0.452 -6.773 554 HA PRO 68 HA PRO 68 9.362 1.607 -6.313 555 1HB PRO 68 HB2 PRO 68 6.617 2.479 -6.305 556 2HB PRO 68 HB1 PRO 68 8.064 3.420 -5.917 557 1HG PRO 68 HG2 PRO 68 6.444 3.799 -8.121 558 2HG PRO 68 HG1 PRO 68 8.102 4.391 -7.946 559 1HD PRO 68 HD2 PRO 68 7.090 2.052 -9.495 560 2HD PRO 68 HD1 PRO 68 8.490 3.101 -9.814 561 H ALA 69 HN ALA 69 7.996 0.553 -4.615 562 HA ALA 69 HA ALA 69 6.092 -1.437 -5.586 563 1HB ALA 69 HB1 ALA 69 8.224 -2.607 -5.791 564 2HB ALA 69 HB2 ALA 69 7.284 -3.279 -4.459 565 3HB ALA 69 HB3 ALA 69 8.631 -2.194 -4.124 566 H LEU 70 HN LEU 70 4.815 -2.344 -3.891 567 HA LEU 70 HA LEU 70 5.083 -1.008 -1.277 568 1HB LEU 70 HB2 LEU 70 3.210 -0.150 -2.838 569 2HB LEU 70 HB1 LEU 70 2.420 -1.683 -2.491 570 HG LEU 70 HG LEU 70 3.454 0.082 -0.280 571 1HD1 LEU 70 HD11 LEU 70 1.309 0.675 -2.093 572 2HD1 LEU 70 HD12 LEU 70 1.837 1.587 -0.680 573 3HD1 LEU 70 HD13 LEU 70 0.627 0.316 -0.505 574 1HD2 LEU 70 HD21 LEU 70 1.818 -2.379 -0.545 575 2HD2 LEU 70 HD22 LEU 70 1.239 -1.204 0.629 576 3HD2 LEU 70 HD23 LEU 70 2.868 -1.859 0.771 577 H VAL 71 HN VAL 71 5.044 -2.331 0.447 578 HA VAL 71 HA VAL 71 4.065 -5.080 0.016 579 HB VAL 71 HB VAL 71 6.542 -4.260 1.538 580 1HG1 VAL 71 HG11 VAL 71 5.131 -6.898 1.125 581 2HG1 VAL 71 HG12 VAL 71 5.652 -6.163 2.640 582 3HG1 VAL 71 HG13 VAL 71 6.847 -6.821 1.523 583 1HG2 VAL 71 HG21 VAL 71 6.176 -5.760 -1.078 584 2HG2 VAL 71 HG22 VAL 71 7.717 -5.519 -0.254 585 3HG2 VAL 71 HG23 VAL 71 6.839 -4.135 -0.903 586 H LYS 72 HN LYS 72 2.587 -5.732 1.397 587 HA LYS 72 HA LYS 72 2.125 -4.202 3.862 588 1HB LYS 72 HB2 LYS 72 0.202 -4.727 2.342 589 2HB LYS 72 HB1 LYS 72 0.465 -6.444 2.664 590 1HG LYS 72 HG2 LYS 72 0.402 -4.955 5.149 591 2HG LYS 72 HG1 LYS 72 -1.057 -4.639 4.208 592 1HD LYS 72 HD2 LYS 72 -0.028 -7.448 4.586 593 2HD LYS 72 HD1 LYS 72 -1.073 -6.688 5.787 594 1HE LYS 72 HE2 LYS 72 -2.897 -6.643 4.380 595 2HE LYS 72 HE1 LYS 72 -1.908 -6.539 2.923 596 1HZ LYS 72 HZ1 LYS 72 -2.877 -8.857 4.318 597 2HZ LYS 72 HZ2 LYS 72 -1.218 -8.938 3.963 598 3HZ LYS 72 HZ3 LYS 72 -2.347 -8.701 2.715 599 H ILE 73 HN ILE 73 2.862 -4.953 5.772 600 HA ILE 73 HA ILE 73 3.908 -7.695 5.803 601 HB ILE 73 HB ILE 73 4.810 -6.712 8.125 602 1HG1 ILE 73 HG12 ILE 73 3.528 -4.505 7.313 603 2HG1 ILE 73 HG11 ILE 73 5.052 -4.417 8.192 604 1HG2 ILE 73 HG21 ILE 73 6.850 -5.999 6.788 605 2HG2 ILE 73 HG22 ILE 73 5.905 -6.313 5.332 606 3HG2 ILE 73 HG23 ILE 73 6.261 -7.629 6.452 607 1HD1 ILE 73 HD11 ILE 73 4.877 -4.487 5.167 608 2HD1 ILE 73 HD12 ILE 73 6.306 -4.155 6.145 609 3HD1 ILE 73 HD13 ILE 73 4.978 -2.994 6.103 610 H GLY 74 HN GLY 74 1.271 -5.858 7.117 611 1HA GLY 74 HA2 GLY 74 -0.316 -7.773 7.972 612 2HA GLY 74 HA1 GLY 74 0.895 -7.854 9.242 613 HA PRO 75 HA PRO 75 -0.434 -8.334 10.875 614 1HB PRO 75 HB2 PRO 75 -3.218 -8.333 11.596 615 2HB PRO 75 HB1 PRO 75 -1.806 -8.311 12.659 616 1HG PRO 75 HG2 PRO 75 -3.614 -6.218 12.189 617 2HG PRO 75 HG1 PRO 75 -2.099 -6.147 13.095 618 1HD PRO 75 HD2 PRO 75 -2.701 -5.071 10.451 619 2HD PRO 75 HD1 PRO 75 -1.290 -4.771 11.487 620 H GLY 76 HN GLY 76 -1.502 -10.383 10.315 621 1HA GLY 76 HA2 GLY 76 -3.000 -11.669 8.960 622 2HA GLY 76 HA1 GLY 76 -3.222 -10.259 7.925 623 H SER 77 HN SER 77 -2.748 -11.909 6.211 624 HA SER 77 HA SER 77 -0.132 -13.022 5.990 625 1HB SER 77 HB2 SER 77 -1.731 -14.168 4.746 626 2HB SER 77 HB1 SER 77 -2.439 -12.691 4.097 627 HG SER 77 HG SER 77 0.153 -13.719 3.531 628 H ARG 78 HN ARG 78 1.423 -12.534 4.344 629 HA ARG 78 HA ARG 78 1.818 -9.639 4.053 630 1HB ARG 78 HB2 ARG 78 3.681 -10.904 4.979 631 2HB ARG 78 HB1 ARG 78 3.685 -11.975 3.578 632 1HG ARG 78 HG2 ARG 78 4.163 -10.024 2.113 633 2HG ARG 78 HG1 ARG 78 4.223 -8.992 3.541 634 1HD ARG 78 HD2 ARG 78 6.091 -10.268 4.437 635 2HD ARG 78 HD1 ARG 78 6.004 -11.399 3.091 636 HE ARG 78 HE ARG 78 6.945 -8.609 2.957 637 1HH1 ARG 78 HH21 ARG 78 6.678 -11.803 1.647 638 2HH1 ARG 78 HH22 ARG 78 7.525 -11.421 0.189 639 1HH2 ARG 78 HH11 ARG 78 7.925 -8.071 0.970 640 2HH2 ARG 78 HH12 ARG 78 8.231 -9.317 -0.194 641 H GLN 79 HN GLN 79 2.135 -8.629 2.079 642 HA GLN 79 HA GLN 79 1.901 -10.227 -0.369 643 1HB GLN 79 HB2 GLN 79 0.045 -7.958 0.371 644 2HB GLN 79 HB1 GLN 79 0.205 -8.603 -1.263 645 1HG GLN 79 HG2 GLN 79 -0.417 -10.852 -0.414 646 2HG GLN 79 HG1 GLN 79 -0.638 -10.165 1.195 647 1HE2 GLN 79 HE21 GLN 79 -2.670 -11.377 -0.748 648 2HE2 GLN 79 HE22 GLN 79 -3.862 -10.180 -0.905 649 H VAL 80 HN VAL 80 2.584 -9.092 -2.276 650 HA VAL 80 HA VAL 80 4.133 -6.637 -1.720 651 HB VAL 80 HB VAL 80 4.995 -8.991 -3.418 652 1HG1 VAL 80 HG11 VAL 80 7.096 -7.142 -2.903 653 2HG1 VAL 80 HG12 VAL 80 5.718 -6.209 -3.488 654 3HG1 VAL 80 HG13 VAL 80 6.360 -7.535 -4.456 655 1HG2 VAL 80 HG21 VAL 80 5.385 -9.616 -1.181 656 2HG2 VAL 80 HG22 VAL 80 5.750 -7.963 -0.686 657 3HG2 VAL 80 HG23 VAL 80 6.914 -8.870 -1.652 658 H LEU 81 HN LEU 81 3.644 -5.003 -3.020 659 HA LEU 81 HA LEU 81 2.336 -5.592 -5.615 660 1HB LEU 81 HB2 LEU 81 2.038 -2.994 -4.146 661 2HB LEU 81 HB1 LEU 81 0.977 -3.706 -5.355 662 HG LEU 81 HG LEU 81 1.414 -4.853 -2.584 663 1HD1 LEU 81 HD11 LEU 81 -0.637 -3.858 -1.940 664 2HD1 LEU 81 HD12 LEU 81 -1.055 -3.454 -3.605 665 3HD1 LEU 81 HD13 LEU 81 0.233 -2.576 -2.782 666 1HD2 LEU 81 HD21 LEU 81 0.705 -6.407 -4.485 667 2HD2 LEU 81 HD22 LEU 81 -0.767 -5.446 -4.596 668 3HD2 LEU 81 HD23 LEU 81 -0.398 -6.328 -3.114 669 H SER 82 HN SER 82 3.398 -4.830 -7.402 670 HA SER 82 HA SER 82 5.070 -2.481 -7.188 671 1HB SER 82 HB2 SER 82 6.639 -4.123 -6.376 672 2HB SER 82 HB1 SER 82 6.317 -5.169 -7.753 673 HG SER 82 HG SER 82 7.028 -3.328 -9.056 674 H GLY 83 HN GLY 83 6.166 -1.967 -9.212 675 1HA GLY 83 HA2 GLY 83 6.310 -1.954 -11.566 676 2HA GLY 83 HA1 GLY 83 5.033 -3.161 -11.630 677 H ILE 84 HN ILE 84 5.367 0.146 -10.368 678 HA ILE 84 HA ILE 84 3.875 1.905 -10.349 679 HB ILE 84 HB ILE 84 3.501 2.802 -12.527 680 1HG1 ILE 84 HG12 ILE 84 4.087 0.044 -13.650 681 2HG1 ILE 84 HG11 ILE 84 2.461 0.707 -13.479 682 1HG2 ILE 84 HG21 ILE 84 5.944 2.011 -11.614 683 2HG2 ILE 84 HG22 ILE 84 5.707 2.978 -13.071 684 3HG2 ILE 84 HG23 ILE 84 5.914 1.231 -13.195 685 1HD1 ILE 84 HD11 ILE 84 4.706 1.954 -15.092 686 2HD1 ILE 84 HD12 ILE 84 3.072 2.600 -14.930 687 3HD1 ILE 84 HD13 ILE 84 3.335 1.068 -15.761 688 H ASP 85 HN ASP 85 2.669 -1.081 -10.542 689 HA ASP 85 HA ASP 85 -0.095 -0.254 -11.151 690 1HB ASP 85 HB2 ASP 85 -0.604 -2.635 -11.230 691 2HB ASP 85 HB1 ASP 85 0.785 -2.300 -12.263 692 H LEU 86 HN LEU 86 1.821 -0.026 -8.668 693 HA LEU 86 HA LEU 86 0.910 -1.401 -6.486 694 1HB LEU 86 HB2 LEU 86 1.653 1.530 -6.566 695 2HB LEU 86 HB1 LEU 86 1.677 0.484 -5.153 696 HG LEU 86 HG LEU 86 3.221 -1.021 -6.707 697 1HD1 LEU 86 HD11 LEU 86 3.936 -0.041 -8.602 698 2HD1 LEU 86 HD12 LEU 86 4.598 1.296 -7.665 699 3HD1 LEU 86 HD13 LEU 86 2.943 1.374 -8.258 700 1HD2 LEU 86 HD21 LEU 86 4.278 -0.430 -4.781 701 2HD2 LEU 86 HD22 LEU 86 3.750 1.247 -4.875 702 3HD2 LEU 86 HD23 LEU 86 5.127 0.700 -5.833 703 H THR 87 HN THR 87 -0.419 1.676 -7.724 704 HA THR 87 HA THR 87 -2.433 1.885 -5.747 705 HB THR 87 HB THR 87 -3.417 3.596 -7.208 706 HG1 THR 87 HG1 THR 87 -1.658 2.399 -9.049 707 1HG2 THR 87 HG21 THR 87 -0.388 3.700 -7.221 708 2HG2 THR 87 HG22 THR 87 -1.400 4.106 -5.835 709 3HG2 THR 87 HG23 THR 87 -1.485 5.080 -7.303 710 H ASP 88 HN ASP 88 -2.442 0.416 -8.977 711 HA ASP 88 HA ASP 88 -5.255 -0.083 -8.997 712 1HB ASP 88 HB2 ASP 88 -2.969 -1.353 -10.523 713 2HB ASP 88 HB1 ASP 88 -4.671 -1.669 -10.838 714 H GLN 89 HN GLN 89 -2.396 -2.050 -8.268 715 HA GLN 89 HA GLN 89 -3.819 -4.408 -7.562 716 1HB GLN 89 HB2 GLN 89 -1.255 -3.940 -8.084 717 2HB GLN 89 HB1 GLN 89 -1.175 -3.766 -6.332 718 1HG GLN 89 HG2 GLN 89 -2.262 -5.983 -6.078 719 2HG GLN 89 HG1 GLN 89 -2.271 -6.159 -7.831 720 1HE2 GLN 89 HE21 GLN 89 0.489 -4.566 -7.616 721 2HE2 GLN 89 HE22 GLN 89 1.586 -5.823 -7.293 722 H LEU 90 HN LEU 90 -2.478 -1.704 -5.664 723 HA LEU 90 HA LEU 90 -3.069 -2.645 -3.106 724 1HB LEU 90 HB2 LEU 90 -1.718 -0.647 -3.489 725 2HB LEU 90 HB1 LEU 90 -3.126 0.202 -4.127 726 HG LEU 90 HG LEU 90 -4.272 -0.156 -1.926 727 1HD1 LEU 90 HD11 LEU 90 -1.588 -1.382 -1.305 728 2HD1 LEU 90 HD12 LEU 90 -3.196 -2.029 -0.982 729 3HD1 LEU 90 HD13 LEU 90 -2.579 -0.680 -0.026 730 1HD2 LEU 90 HD21 LEU 90 -2.974 1.927 -2.516 731 2HD2 LEU 90 HD22 LEU 90 -1.593 1.238 -1.662 732 3HD2 LEU 90 HD23 LEU 90 -3.077 1.609 -0.785 733 H ALA 91 HN ALA 91 -5.090 -0.659 -5.271 734 HA ALA 91 HA ALA 91 -7.298 -0.388 -3.565 735 1HB ALA 91 HB1 ALA 91 -8.602 -0.031 -5.672 736 2HB ALA 91 HB2 ALA 91 -7.169 -0.502 -6.586 737 3HB ALA 91 HB3 ALA 91 -7.135 0.942 -5.576 738 H ASN 92 HN ASN 92 -6.338 -2.993 -5.727 739 HA ASN 92 HA ASN 92 -8.803 -4.463 -5.378 740 1HB ASN 92 HB2 ASN 92 -6.155 -5.085 -6.679 741 2HB ASN 92 HB1 ASN 92 -7.461 -6.258 -6.571 742 1HD2 ASN 92 HD21 ASN 92 -6.627 -5.404 -9.119 743 2HD2 ASN 92 HD22 ASN 92 -7.831 -4.422 -9.806 744 H GLN 93 HN GLN 93 -5.518 -4.553 -4.109 745 HA GLN 93 HA GLN 93 -5.906 -6.984 -2.638 746 1HB GLN 93 HB2 GLN 93 -3.748 -4.873 -2.556 747 2HB GLN 93 HB1 GLN 93 -3.705 -6.369 -1.628 748 1HG GLN 93 HG2 GLN 93 -3.930 -6.207 -4.643 749 2HG GLN 93 HG1 GLN 93 -2.456 -6.584 -3.756 750 1HE2 GLN 93 HE21 GLN 93 -5.102 -8.003 -5.278 751 2HE2 GLN 93 HE22 GLN 93 -5.038 -9.518 -4.522 752 H LEU 94 HN LEU 94 -6.068 -3.547 -1.928 753 HA LEU 94 HA LEU 94 -6.026 -3.592 0.835 754 1HB LEU 94 HB2 LEU 94 -5.979 -1.481 -0.113 755 2HB LEU 94 HB1 LEU 94 -7.343 -1.802 -1.172 756 HG LEU 94 HG LEU 94 -8.869 -1.804 0.751 757 1HD1 LEU 94 HD11 LEU 94 -7.943 -1.117 2.989 758 2HD1 LEU 94 HD12 LEU 94 -6.321 -1.322 2.324 759 3HD1 LEU 94 HD13 LEU 94 -7.402 -2.709 2.458 760 1HD2 LEU 94 HD21 LEU 94 -8.767 0.364 -0.061 761 2HD2 LEU 94 HD22 LEU 94 -7.040 0.516 0.264 762 3HD2 LEU 94 HD23 LEU 94 -8.201 0.630 1.587 763 HA PRO 95 HA PRO 95 -10.932 -4.034 0.877 764 1HB PRO 95 HB2 PRO 95 -11.541 -5.669 -1.406 765 2HB PRO 95 HB1 PRO 95 -12.133 -4.042 -1.045 766 1HG PRO 95 HG2 PRO 95 -10.039 -4.890 -2.885 767 2HG PRO 95 HG1 PRO 95 -10.920 -3.357 -2.803 768 1HD PRO 95 HD2 PRO 95 -8.271 -3.635 -2.112 769 2HD PRO 95 HD1 PRO 95 -9.345 -2.374 -1.465 770 H GLN 96 HN GLN 96 -8.973 -6.494 -0.782 771 HA GLN 96 HA GLN 96 -10.173 -8.767 0.355 772 1HB GLN 96 HB2 GLN 96 -7.350 -8.362 -0.652 773 2HB GLN 96 HB1 GLN 96 -8.087 -9.929 -0.309 774 1HG GLN 96 HG2 GLN 96 -9.850 -9.475 -1.962 775 2HG GLN 96 HG1 GLN 96 -9.142 -7.896 -2.293 776 1HE2 GLN 96 HE21 GLN 96 -9.464 -10.222 -4.169 777 2HE2 GLN 96 HE22 GLN 96 -7.897 -10.573 -4.719 778 H TRP 97 HN TRP 97 -7.608 -6.657 1.505 779 HA TRP 97 HA TRP 97 -6.695 -8.293 3.634 780 1HB TRP 97 HB2 TRP 97 -6.735 -5.269 3.538 781 2HB TRP 97 HB1 TRP 97 -5.682 -6.284 4.521 782 HD1 TRP 97 HD1 TRP 97 -5.552 -8.290 1.713 783 HE1 TRP 97 HE1 TRP 97 -3.706 -7.639 0.025 784 HE3 TRP 97 HE3 TRP 97 -4.593 -3.522 3.260 785 HZ2 TRP 97 HZ2 TRP 97 -2.049 -5.388 -0.580 786 HZ3 TRP 97 HZ3 TRP 97 -2.882 -2.145 2.113 787 HH2 TRP 97 HH2 TRP 97 -1.609 -3.071 0.196 788 H LEU 98 HN LEU 98 -9.355 -6.030 3.306 789 HA LEU 98 HA LEU 98 -10.033 -6.149 6.128 790 1HB LEU 98 HB2 LEU 98 -11.541 -4.902 3.822 791 2HB LEU 98 HB1 LEU 98 -11.779 -4.590 5.538 792 HG LEU 98 HG LEU 98 -9.323 -3.941 3.896 793 1HD1 LEU 98 HD11 LEU 98 -11.689 -2.486 4.647 794 2HD1 LEU 98 HD12 LEU 98 -10.322 -1.938 3.678 795 3HD1 LEU 98 HD13 LEU 98 -10.289 -1.757 5.432 796 1HD2 LEU 98 HD21 LEU 98 -8.615 -2.905 6.170 797 2HD2 LEU 98 HD22 LEU 98 -8.441 -4.649 5.964 798 3HD2 LEU 98 HD23 LEU 98 -9.808 -4.000 6.871 799 H VAL 99 HN VAL 99 -10.624 -7.954 3.339 800 HA VAL 99 HA VAL 99 -13.133 -9.065 4.434 801 HB VAL 99 HB VAL 99 -11.996 -9.263 1.636 802 1HG1 VAL 99 HG11 VAL 99 -13.365 -11.080 1.588 803 2HG1 VAL 99 HG12 VAL 99 -14.665 -9.889 1.523 804 3HG1 VAL 99 HG13 VAL 99 -14.200 -10.604 3.067 805 1HG2 VAL 99 HG21 VAL 99 -13.148 -7.072 2.808 806 2HG2 VAL 99 HG22 VAL 99 -14.565 -7.897 2.157 807 3HG2 VAL 99 HG23 VAL 99 -13.243 -7.436 1.085 808 H GLN 100 HN GLN 100 -10.125 -9.681 4.987 809 HA GLN 100 HA GLN 100 -9.147 -12.018 4.170 810 1HB GLN 100 HB2 GLN 100 -9.527 -11.085 7.009 811 2HB GLN 100 HB1 GLN 100 -8.641 -12.561 6.624 812 1HG GLN 100 HG2 GLN 100 -7.055 -11.348 5.279 813 2HG GLN 100 HG1 GLN 100 -8.010 -9.873 5.389 814 1HE2 GLN 100 HE21 GLN 100 -5.178 -10.397 6.326 815 2HE2 GLN 100 HE22 GLN 100 -5.186 -10.003 7.977 816 H GLN 101 HN GLN 101 -10.694 -13.392 3.258 817 HA GLN 101 HA GLN 101 -11.881 -15.256 5.146 818 1HB GLN 101 HB2 GLN 101 -13.565 -13.676 3.193 819 2HB GLN 101 HB1 GLN 101 -14.114 -15.142 4.005 820 1HG GLN 101 HG2 GLN 101 -13.700 -14.071 6.198 821 2HG GLN 101 HG1 GLN 101 -13.193 -12.598 5.372 822 1HE2 GLN 101 HE21 GLN 101 -15.414 -12.532 7.138 823 2HE2 GLN 101 HE22 GLN 101 -16.826 -12.284 6.231 824 H GLU 102 HN GLU 102 -10.592 -14.425 2.109 825 HA GLU 102 HA GLU 102 -10.375 -15.611 0.109 826 1HB GLU 102 HB2 GLU 102 -9.596 -17.666 2.196 827 2HB GLU 102 HB1 GLU 102 -9.151 -17.719 0.490 828 1HG GLU 102 HG2 GLU 102 -7.269 -16.713 1.450 829 2HG GLU 102 HG1 GLU 102 -8.209 -15.316 0.926 830 H GLY 103 HN GLY 103 -10.596 -18.394 -0.340 831 1HA GLY 103 HA2 GLY 103 -12.133 -20.104 -0.673 832 2HA GLY 103 HA1 GLY 103 -13.244 -19.272 0.412 833 H ILE 104 HN ILE 104 -11.881 -17.382 -2.106 834 HA ILE 104 HA ILE 104 -14.459 -17.467 -3.547 835 HB ILE 104 HB ILE 104 -14.034 -15.276 -2.631 836 1HG1 ILE 104 HG12 ILE 104 -13.146 -14.983 -5.490 837 2HG1 ILE 104 HG11 ILE 104 -14.741 -15.651 -5.138 838 1HG2 ILE 104 HG21 ILE 104 -11.596 -14.690 -4.140 839 2HG2 ILE 104 HG22 ILE 104 -11.359 -15.957 -2.937 840 3HG2 ILE 104 HG23 ILE 104 -11.968 -14.376 -2.444 841 1HD1 ILE 104 HD11 ILE 104 -15.025 -13.278 -5.392 842 2HD1 ILE 104 HD12 ILE 104 -13.662 -12.941 -4.325 843 3HD1 ILE 104 HD13 ILE 104 -15.150 -13.624 -3.668 844 H PHE 105 HN PHE 105 -14.485 -18.181 -5.576 845 HA PHE 105 HA PHE 105 -11.960 -18.935 -6.837 846 1HB PHE 105 HB2 PHE 105 -13.316 -20.215 -8.367 847 2HB PHE 105 HB1 PHE 105 -13.922 -20.503 -6.734 848 HD1 PHE 105 HD1 PHE 105 -16.006 -19.405 -5.950 849 HD2 PHE 105 HD2 PHE 105 -14.624 -19.013 -9.998 850 HE1 PHE 105 HE1 PHE 105 -18.239 -18.573 -6.632 851 HE2 PHE 105 HE2 PHE 105 -16.858 -18.179 -10.679 852 HZ PHE 105 HZ PHE 105 -18.665 -17.960 -8.996 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -19.178 -9.480 16.443 2 2H GLY 1 HT2 GLY 1 -20.170 -9.130 17.779 3 3H GLY 1 HT3 GLY 1 -20.861 -9.386 16.247 4 1HA GLY 1 HA2 GLY 1 -20.287 -11.271 18.257 5 2HA GLY 1 HA1 GLY 1 -21.095 -11.522 16.709 6 H SER 2 HN SER 2 -18.024 -10.120 16.381 7 HA SER 2 HA SER 2 -16.959 -12.267 14.900 8 1HB SER 2 HB2 SER 2 -14.808 -11.018 15.081 9 2HB SER 2 HB1 SER 2 -16.154 -10.002 14.575 10 HG SER 2 HG SER 2 -16.368 -9.474 16.865 11 H SER 3 HN SER 3 -15.241 -11.021 17.729 12 HA SER 3 HA SER 3 -14.482 -13.758 18.433 13 1HB SER 3 HB2 SER 3 -13.515 -11.029 19.254 14 2HB SER 3 HB1 SER 3 -13.072 -12.462 20.178 15 HG SER 3 HG SER 3 -11.707 -12.932 18.662 16 H LEU 4 HN LEU 4 -15.456 -14.865 20.000 17 HA LEU 4 HA LEU 4 -17.667 -13.825 21.429 18 1HB LEU 4 HB2 LEU 4 -17.434 -16.207 20.871 19 2HB LEU 4 HB1 LEU 4 -16.036 -16.327 21.937 20 HG LEU 4 HG LEU 4 -18.278 -17.098 22.912 21 1HD1 LEU 4 HD11 LEU 4 -17.436 -14.962 24.734 22 2HD1 LEU 4 HD12 LEU 4 -16.080 -15.878 24.077 23 3HD1 LEU 4 HD13 LEU 4 -17.368 -16.711 24.947 24 1HD2 LEU 4 HD21 LEU 4 -18.773 -14.144 23.291 25 2HD2 LEU 4 HD22 LEU 4 -19.889 -15.486 23.545 26 3HD2 LEU 4 HD23 LEU 4 -19.442 -15.010 21.907 27 H SER 5 HN SER 5 -14.303 -14.469 22.369 28 HA SER 5 HA SER 5 -14.827 -13.224 24.989 29 1HB SER 5 HB2 SER 5 -13.465 -14.810 25.791 30 2HB SER 5 HB1 SER 5 -13.253 -15.449 24.164 31 HG SER 5 HG SER 5 -11.327 -14.630 25.390 32 HA PRO 6 HA PRO 6 -12.717 -9.476 24.204 33 1HB PRO 6 HB2 PRO 6 -10.781 -9.699 26.318 34 2HB PRO 6 HB1 PRO 6 -12.273 -8.748 26.299 35 1HG PRO 6 HG2 PRO 6 -11.715 -11.227 27.652 36 2HG PRO 6 HG1 PRO 6 -13.121 -10.167 27.797 37 1HD PRO 6 HD2 PRO 6 -13.085 -12.705 26.595 38 2HD PRO 6 HD1 PRO 6 -14.376 -11.496 26.443 39 H GLN 7 HN GLN 7 -11.051 -8.827 22.914 40 HA GLN 7 HA GLN 7 -8.603 -10.454 22.825 41 1HB GLN 7 HB2 GLN 7 -10.273 -11.190 21.044 42 2HB GLN 7 HB1 GLN 7 -10.038 -9.604 20.308 43 1HG GLN 7 HG2 GLN 7 -8.511 -11.120 19.231 44 2HG GLN 7 HG1 GLN 7 -7.554 -10.085 20.287 45 1HE2 GLN 7 HE21 GLN 7 -5.887 -11.484 20.965 46 2HE2 GLN 7 HE22 GLN 7 -6.157 -12.982 21.714 47 H ALA 8 HN ALA 8 -8.909 -7.982 24.054 48 HA ALA 8 HA ALA 8 -8.212 -5.773 24.031 49 1HB ALA 8 HB1 ALA 8 -5.884 -6.278 22.360 50 2HB ALA 8 HB2 ALA 8 -6.111 -7.539 23.573 51 3HB ALA 8 HB3 ALA 8 -5.968 -5.853 24.070 52 H LEU 9 HN LEU 9 -6.972 -4.114 22.390 53 HA LEU 9 HA LEU 9 -8.876 -3.794 20.215 54 1HB LEU 9 HB2 LEU 9 -7.496 -1.643 19.865 55 2HB LEU 9 HB1 LEU 9 -8.449 -1.774 21.343 56 HG LEU 9 HG LEU 9 -5.762 -2.921 21.602 57 1HD1 LEU 9 HD11 LEU 9 -4.592 -0.759 21.639 58 2HD1 LEU 9 HD12 LEU 9 -6.069 0.061 21.134 59 3HD1 LEU 9 HD13 LEU 9 -5.264 -1.061 20.037 60 1HD2 LEU 9 HD21 LEU 9 -5.828 -1.482 23.653 61 2HD2 LEU 9 HD22 LEU 9 -7.231 -2.542 23.514 62 3HD2 LEU 9 HD23 LEU 9 -7.374 -0.833 23.104 63 H ALA 10 HN ALA 10 -8.392 -3.790 18.036 64 HA ALA 10 HA ALA 10 -6.331 -5.515 17.152 65 1HB ALA 10 HB1 ALA 10 -6.975 -4.335 14.870 66 2HB ALA 10 HB2 ALA 10 -8.315 -3.711 15.833 67 3HB ALA 10 HB3 ALA 10 -8.091 -5.451 15.659 68 H GLN 11 HN GLN 11 -4.391 -5.101 16.102 69 HA GLN 11 HA GLN 11 -3.143 -2.567 16.792 70 1HB GLN 11 HB2 GLN 11 -1.900 -4.865 15.274 71 2HB GLN 11 HB1 GLN 11 -1.077 -3.594 16.178 72 1HG GLN 11 HG2 GLN 11 -3.045 -5.282 17.658 73 2HG GLN 11 HG1 GLN 11 -1.501 -6.014 17.232 74 1HE2 GLN 11 HE21 GLN 11 0.278 -3.885 17.523 75 2HE2 GLN 11 HE22 GLN 11 0.272 -3.351 19.134 76 HA PRO 12 HA PRO 12 -3.747 -0.486 12.963 77 1HB PRO 12 HB2 PRO 12 -1.027 0.420 12.762 78 2HB PRO 12 HB1 PRO 12 -2.447 1.334 13.288 79 1HG PRO 12 HG2 PRO 12 -0.313 0.206 14.869 80 2HG PRO 12 HG1 PRO 12 -1.594 1.326 15.349 81 1HD PRO 12 HD2 PRO 12 -1.401 -1.357 16.125 82 2HD PRO 12 HD1 PRO 12 -2.855 -0.346 16.250 83 H LEU 13 HN LEU 13 -3.159 -0.598 10.711 84 HA LEU 13 HA LEU 13 -2.002 -3.140 9.953 85 1HB LEU 13 HB2 LEU 13 -4.004 -1.963 8.843 86 2HB LEU 13 HB1 LEU 13 -2.805 -0.918 8.089 87 HG LEU 13 HG LEU 13 -2.758 -3.935 7.901 88 1HD1 LEU 13 HD11 LEU 13 -3.313 -2.393 5.475 89 2HD1 LEU 13 HD12 LEU 13 -4.571 -2.210 6.697 90 3HD1 LEU 13 HD13 LEU 13 -4.138 -3.818 6.109 91 1HD2 LEU 13 HD21 LEU 13 -1.351 -2.970 5.793 92 2HD2 LEU 13 HD22 LEU 13 -0.607 -3.374 7.337 93 3HD2 LEU 13 HD23 LEU 13 -1.033 -1.701 6.973 94 H LEU 14 HN LEU 14 0.080 -3.464 9.308 95 HA LEU 14 HA LEU 14 1.807 -1.108 9.181 96 1HB LEU 14 HB2 LEU 14 2.535 -4.044 9.162 97 2HB LEU 14 HB1 LEU 14 3.627 -2.687 9.407 98 HG LEU 14 HG LEU 14 1.448 -3.685 11.234 99 1HD1 LEU 14 HD11 LEU 14 3.617 -4.695 11.574 100 2HD1 LEU 14 HD12 LEU 14 3.346 -3.544 12.881 101 3HD1 LEU 14 HD13 LEU 14 4.408 -3.120 11.537 102 1HD2 LEU 14 HD21 LEU 14 1.056 -1.334 11.221 103 2HD2 LEU 14 HD22 LEU 14 2.781 -0.970 11.145 104 3HD2 LEU 14 HD23 LEU 14 2.081 -1.619 12.628 105 H LEU 15 HN LEU 15 2.071 -0.212 7.281 106 HA LEU 15 HA LEU 15 2.286 -1.933 4.890 107 1HB LEU 15 HB2 LEU 15 0.105 -0.590 5.198 108 2HB LEU 15 HB1 LEU 15 1.089 0.841 4.907 109 HG LEU 15 HG LEU 15 -0.023 -0.001 2.848 110 1HD1 LEU 15 HD11 LEU 15 2.475 0.991 3.130 111 2HD1 LEU 15 HD12 LEU 15 1.756 0.622 1.568 112 3HD1 LEU 15 HD13 LEU 15 2.844 -0.534 2.329 113 1HD2 LEU 15 HD21 LEU 15 0.512 -2.485 3.792 114 2HD2 LEU 15 HD22 LEU 15 1.861 -2.292 2.671 115 3HD2 LEU 15 HD23 LEU 15 0.201 -2.152 2.091 116 H GLN 16 HN GLN 16 4.030 -1.514 3.561 117 HA GLN 16 HA GLN 16 5.509 0.985 4.086 118 1HB GLN 16 HB2 GLN 16 6.600 -1.816 4.054 119 2HB GLN 16 HB1 GLN 16 7.628 -0.422 3.714 120 1HG GLN 16 HG2 GLN 16 7.087 0.576 5.851 121 2HG GLN 16 HG1 GLN 16 5.904 -0.691 6.191 122 1HE2 GLN 16 HE21 GLN 16 7.914 -0.377 8.065 123 2HE2 GLN 16 HE22 GLN 16 9.034 -1.647 7.951 124 H LEU 17 HN LEU 17 6.864 1.710 2.386 125 HA LEU 17 HA LEU 17 6.291 0.544 -0.260 126 1HB LEU 17 HB2 LEU 17 4.790 2.455 0.073 127 2HB LEU 17 HB1 LEU 17 6.168 3.479 0.475 128 HG LEU 17 HG LEU 17 7.091 2.788 -1.852 129 1HD1 LEU 17 HD11 LEU 17 5.319 2.221 -3.486 130 2HD1 LEU 17 HD12 LEU 17 4.148 2.122 -2.172 131 3HD1 LEU 17 HD13 LEU 17 5.479 0.971 -2.257 132 1HD2 LEU 17 HD21 LEU 17 4.612 4.526 -1.605 133 2HD2 LEU 17 HD22 LEU 17 5.771 4.588 -2.934 134 3HD2 LEU 17 HD23 LEU 17 6.271 5.047 -1.307 135 H PHE 18 HN PHE 18 8.072 0.260 -1.466 136 HA PHE 18 HA PHE 18 10.593 1.422 -0.502 137 1HB PHE 18 HB2 PHE 18 9.903 -0.907 -2.274 138 2HB PHE 18 HB1 PHE 18 11.519 -0.200 -2.317 139 HD1 PHE 18 HD1 PHE 18 8.963 -1.216 0.244 140 HD2 PHE 18 HD2 PHE 18 13.100 -1.105 -0.890 141 HE1 PHE 18 HE1 PHE 18 9.570 -2.416 2.329 142 HE2 PHE 18 HE2 PHE 18 13.711 -2.306 1.183 143 HZ PHE 18 HZ PHE 18 11.942 -2.949 2.804 144 H VAL 19 HN VAL 19 11.412 3.160 -1.458 145 HA VAL 19 HA VAL 19 10.738 3.616 -4.305 146 HB VAL 19 HB VAL 19 10.305 5.928 -3.896 147 1HG1 VAL 19 HG11 VAL 19 8.364 5.807 -2.442 148 2HG1 VAL 19 HG12 VAL 19 9.006 4.376 -1.638 149 3HG1 VAL 19 HG13 VAL 19 8.489 4.282 -3.321 150 1HG2 VAL 19 HG21 VAL 19 11.367 5.311 -1.129 151 2HG2 VAL 19 HG22 VAL 19 10.426 6.763 -1.471 152 3HG2 VAL 19 HG23 VAL 19 11.968 6.501 -2.283 153 H ASP 20 HN ASP 20 12.198 4.935 -5.466 154 HA ASP 20 HA ASP 20 14.954 4.781 -4.451 155 1HB ASP 20 HB2 ASP 20 15.620 5.079 -6.795 156 2HB ASP 20 HB1 ASP 20 14.515 3.716 -6.628 157 H THR 21 HN THR 21 12.754 6.817 -3.889 158 HA THR 21 HA THR 21 12.733 9.040 -3.319 159 HB THR 21 HB THR 21 14.714 10.328 -3.302 160 HG1 THR 21 HG1 THR 21 16.230 8.600 -4.819 161 1HG2 THR 21 HG21 THR 21 16.505 8.465 -2.702 162 2HG2 THR 21 HG22 THR 21 15.100 7.405 -2.789 163 3HG2 THR 21 HG23 THR 21 15.116 8.755 -1.658 164 H ARG 22 HN ARG 22 12.499 7.780 -6.247 165 HA ARG 22 HA ARG 22 12.746 10.092 -7.933 166 1HB ARG 22 HB2 ARG 22 11.894 8.729 -9.676 167 2HB ARG 22 HB1 ARG 22 12.856 7.644 -8.672 168 1HG ARG 22 HG2 ARG 22 10.730 7.032 -7.451 169 2HG ARG 22 HG1 ARG 22 9.845 7.953 -8.667 170 1HD ARG 22 HD2 ARG 22 11.442 5.427 -9.016 171 2HD ARG 22 HD1 ARG 22 9.789 5.765 -9.522 172 HE ARG 22 HE ARG 22 12.148 7.022 -10.806 173 1HH1 ARG 22 HH11 ARG 22 10.702 4.395 -11.744 174 2HH1 ARG 22 HH12 ARG 22 9.783 5.021 -13.072 175 1HH2 ARG 22 HH21 ARG 22 10.233 8.339 -12.160 176 2HH2 ARG 22 HH22 ARG 22 9.515 7.257 -13.306 177 HA PRO 23 HA PRO 23 9.064 12.265 -6.924 178 1HB PRO 23 HB2 PRO 23 8.336 12.787 -9.650 179 2HB PRO 23 HB1 PRO 23 9.111 13.882 -8.497 180 1HG PRO 23 HG2 PRO 23 10.265 12.414 -10.705 181 2HG PRO 23 HG1 PRO 23 10.955 13.734 -9.751 182 1HD PRO 23 HD2 PRO 23 11.790 11.080 -9.639 183 2HD PRO 23 HD1 PRO 23 12.098 12.298 -8.384 184 H LEU 24 HN LEU 24 8.897 9.908 -9.574 185 HA LEU 24 HA LEU 24 6.132 9.620 -9.778 186 1HB LEU 24 HB2 LEU 24 7.786 8.552 -11.294 187 2HB LEU 24 HB1 LEU 24 8.205 7.424 -10.008 188 HG LEU 24 HG LEU 24 5.683 6.879 -9.916 189 1HD1 LEU 24 HD11 LEU 24 4.497 8.335 -11.221 190 2HD1 LEU 24 HD12 LEU 24 4.913 7.193 -12.498 191 3HD1 LEU 24 HD13 LEU 24 5.863 8.662 -12.285 192 1HD2 LEU 24 HD21 LEU 24 7.037 6.096 -12.495 193 2HD2 LEU 24 HD22 LEU 24 5.991 5.118 -11.467 194 3HD2 LEU 24 HD23 LEU 24 7.626 5.517 -10.937 195 H SER 25 HN SER 25 8.420 8.045 -7.552 196 HA SER 25 HA SER 25 6.526 6.360 -6.282 197 1HB SER 25 HB2 SER 25 8.203 6.007 -4.617 198 2HB SER 25 HB1 SER 25 9.048 6.158 -6.151 199 HG SER 25 HG SER 25 10.119 7.630 -5.076 200 H GLN 26 HN GLN 26 7.733 9.622 -5.586 201 HA GLN 26 HA GLN 26 6.245 10.024 -3.194 202 1HB GLN 26 HB2 GLN 26 7.282 12.006 -5.247 203 2HB GLN 26 HB1 GLN 26 6.621 12.449 -3.670 204 1HG GLN 26 HG2 GLN 26 8.970 10.573 -4.047 205 2HG GLN 26 HG1 GLN 26 9.135 12.297 -3.722 206 1HE2 GLN 26 HE21 GLN 26 6.605 12.125 -1.965 207 2HE2 GLN 26 HE22 GLN 26 7.170 11.456 -0.511 208 H HIS 27 HN HIS 27 5.656 10.309 -6.585 209 HA HIS 27 HA HIS 27 3.180 11.688 -6.583 210 1HB HIS 27 HB2 HIS 27 4.935 10.894 -8.463 211 2HB HIS 27 HB1 HIS 27 3.774 9.580 -8.605 212 HD1 HIS 27 HD1 HIS 27 1.212 11.375 -7.991 213 HD2 HIS 27 HD2 HIS 27 4.200 12.225 -10.773 214 HE1 HIS 27 HE1 HIS 27 0.173 12.936 -9.698 215 H ILE 28 HN ILE 28 4.012 8.250 -6.876 216 HA ILE 28 HA ILE 28 1.378 7.233 -6.717 217 HB ILE 28 HB ILE 28 4.054 5.951 -6.117 218 1HG1 ILE 28 HG12 ILE 28 2.217 5.793 -8.528 219 2HG1 ILE 28 HG11 ILE 28 3.694 6.752 -8.446 220 1HG2 ILE 28 HG21 ILE 28 1.281 4.993 -5.837 221 2HG2 ILE 28 HG22 ILE 28 2.771 4.335 -5.162 222 3HG2 ILE 28 HG23 ILE 28 2.304 3.943 -6.817 223 1HD1 ILE 28 HD11 ILE 28 4.713 4.893 -9.255 224 2HD1 ILE 28 HD12 ILE 28 3.360 3.852 -8.813 225 3HD1 ILE 28 HD13 ILE 28 4.571 4.286 -7.606 226 H VAL 29 HN VAL 29 3.793 8.049 -4.291 227 HA VAL 29 HA VAL 29 2.712 6.719 -2.086 228 HB VAL 29 HB VAL 29 4.192 9.348 -2.278 229 1HG1 VAL 29 HG11 VAL 29 4.527 9.139 0.164 230 2HG1 VAL 29 HG12 VAL 29 3.463 7.733 0.185 231 3HG1 VAL 29 HG13 VAL 29 2.817 9.321 -0.229 232 1HG2 VAL 29 HG21 VAL 29 6.047 8.054 -2.278 233 2HG2 VAL 29 HG22 VAL 29 4.988 6.673 -2.557 234 3HG2 VAL 29 HG23 VAL 29 5.457 7.108 -0.914 235 H GLN 30 HN GLN 30 1.969 9.951 -3.381 236 HA GLN 30 HA GLN 30 0.035 10.630 -1.440 237 1HB GLN 30 HB2 GLN 30 0.212 11.443 -4.354 238 2HB GLN 30 HB1 GLN 30 -0.865 12.181 -3.168 239 1HG GLN 30 HG2 GLN 30 2.161 12.115 -3.039 240 2HG GLN 30 HG1 GLN 30 1.159 13.522 -3.393 241 1HE2 GLN 30 HE21 GLN 30 0.307 14.691 -1.616 242 2HE2 GLN 30 HE22 GLN 30 0.503 14.212 0.001 243 H ARG 31 HN ARG 31 -0.180 8.918 -4.542 244 HA ARG 31 HA ARG 31 -2.991 8.584 -4.541 245 1HB ARG 31 HB2 ARG 31 -0.806 6.880 -5.758 246 2HB ARG 31 HB1 ARG 31 -2.528 6.655 -6.070 247 1HG ARG 31 HG2 ARG 31 -2.623 9.056 -6.825 248 2HG ARG 31 HG1 ARG 31 -0.864 9.105 -6.695 249 1HD ARG 31 HD2 ARG 31 -0.764 7.140 -8.253 250 2HD ARG 31 HD1 ARG 31 -2.505 7.290 -8.475 251 HE ARG 31 HE ARG 31 -1.064 9.739 -8.999 252 1HH1 ARG 31 HH11 ARG 31 -0.954 6.695 -10.431 253 2HH1 ARG 31 HH12 ARG 31 -1.471 7.212 -12.000 254 1HH2 ARG 31 HH21 ARG 31 -2.254 10.430 -10.972 255 2HH2 ARG 31 HH22 ARG 31 -2.207 9.328 -12.307 256 H VAL 32 HN VAL 32 -0.351 6.640 -3.196 257 HA VAL 32 HA VAL 32 -1.970 4.491 -2.302 258 HB VAL 32 HB VAL 32 0.725 5.527 -1.394 259 1HG1 VAL 32 HG11 VAL 32 0.899 3.359 -0.168 260 2HG1 VAL 32 HG12 VAL 32 -0.807 3.064 -0.505 261 3HG1 VAL 32 HG13 VAL 32 -0.329 4.428 0.507 262 1HG2 VAL 32 HG21 VAL 32 1.536 3.530 -2.563 263 2HG2 VAL 32 HG22 VAL 32 0.554 4.500 -3.659 264 3HG2 VAL 32 HG23 VAL 32 -0.121 3.046 -2.926 265 H LYS 33 HN LYS 33 -0.712 7.380 -0.632 266 HA LYS 33 HA LYS 33 -1.957 6.905 1.849 267 1HB LYS 33 HB2 LYS 33 -1.115 9.482 0.521 268 2HB LYS 33 HB1 LYS 33 -1.618 9.343 2.201 269 1HG LYS 33 HG2 LYS 33 0.194 7.622 2.524 270 2HG LYS 33 HG1 LYS 33 0.761 8.005 0.897 271 1HD LYS 33 HD2 LYS 33 0.940 10.413 1.606 272 2HD LYS 33 HD1 LYS 33 0.578 9.897 3.253 273 1HE LYS 33 HE2 LYS 33 2.660 8.230 2.164 274 2HE LYS 33 HE1 LYS 33 3.107 9.925 1.981 275 1HZ LYS 33 HZ1 LYS 33 3.274 8.422 4.270 276 2HZ LYS 33 HZ2 LYS 33 1.928 9.429 4.521 277 3HZ LYS 33 HZ3 LYS 33 3.442 10.105 4.151 278 H ASN 34 HN ASN 34 -2.997 8.730 -1.004 279 HA ASN 34 HA ASN 34 -5.336 9.836 0.076 280 1HB ASN 34 HB2 ASN 34 -4.680 9.071 -2.775 281 2HB ASN 34 HB1 ASN 34 -6.011 10.113 -2.286 282 1HD2 ASN 34 HD21 ASN 34 -3.292 10.611 -3.791 283 2HD2 ASN 34 HD22 ASN 34 -2.653 11.968 -2.990 284 H ILE 35 HN ILE 35 -4.857 6.800 -1.725 285 HA ILE 35 HA ILE 35 -7.606 6.042 -1.681 286 HB ILE 35 HB ILE 35 -5.123 4.354 -1.996 287 1HG1 ILE 35 HG12 ILE 35 -7.023 5.384 -4.120 288 2HG1 ILE 35 HG11 ILE 35 -5.551 6.245 -3.668 289 1HG2 ILE 35 HG21 ILE 35 -7.074 3.045 -3.331 290 2HG2 ILE 35 HG22 ILE 35 -8.040 3.779 -2.051 291 3HG2 ILE 35 HG23 ILE 35 -6.692 2.717 -1.641 292 1HD1 ILE 35 HD11 ILE 35 -5.246 4.725 -5.639 293 2HD1 ILE 35 HD12 ILE 35 -5.619 3.358 -4.588 294 3HD1 ILE 35 HD13 ILE 35 -4.183 4.336 -4.286 295 H LEU 36 HN LEU 36 -4.798 5.028 0.274 296 HA LEU 36 HA LEU 36 -6.178 3.251 1.964 297 1HB LEU 36 HB2 LEU 36 -3.717 4.932 2.493 298 2HB LEU 36 HB1 LEU 36 -4.283 3.634 3.543 299 HG LEU 36 HG LEU 36 -3.568 3.297 0.616 300 1HD1 LEU 36 HD11 LEU 36 -2.068 2.361 3.079 301 2HD1 LEU 36 HD12 LEU 36 -1.636 3.804 2.161 302 3HD1 LEU 36 HD13 LEU 36 -1.550 2.214 1.400 303 1HD2 LEU 36 HD21 LEU 36 -3.523 0.827 1.774 304 2HD2 LEU 36 HD22 LEU 36 -4.926 1.489 0.935 305 3HD2 LEU 36 HD23 LEU 36 -4.818 1.596 2.692 306 H ALA 37 HN ALA 37 -5.600 6.724 2.182 307 HA ALA 37 HA ALA 37 -6.753 7.066 4.759 308 1HB ALA 37 HB1 ALA 37 -6.768 9.441 4.216 309 2HB ALA 37 HB2 ALA 37 -6.524 9.079 2.507 310 3HB ALA 37 HB3 ALA 37 -5.247 8.732 3.672 311 H ALA 38 HN ALA 38 -8.004 6.424 1.663 312 HA ALA 38 HA ALA 38 -10.593 7.639 2.120 313 1HB ALA 38 HB1 ALA 38 -10.445 5.638 -0.003 314 2HB ALA 38 HB2 ALA 38 -9.192 6.873 -0.134 315 3HB ALA 38 HB3 ALA 38 -10.891 7.341 -0.090 316 H VAL 39 HN VAL 39 -9.072 4.754 3.035 317 HA VAL 39 HA VAL 39 -11.487 3.135 3.049 318 HB VAL 39 HB VAL 39 -9.103 2.265 2.669 319 1HG1 VAL 39 HG11 VAL 39 -8.639 3.534 5.082 320 2HG1 VAL 39 HG12 VAL 39 -7.592 2.315 4.358 321 3HG1 VAL 39 HG13 VAL 39 -8.795 1.844 5.558 322 1HG2 VAL 39 HG21 VAL 39 -10.816 0.985 4.825 323 2HG2 VAL 39 HG22 VAL 39 -9.629 0.156 3.820 324 3HG2 VAL 39 HG23 VAL 39 -11.085 0.828 3.089 325 H GLU 40 HN GLU 40 -10.074 5.457 5.066 326 HA GLU 40 HA GLU 40 -10.290 5.949 7.326 327 1HB GLU 40 HB2 GLU 40 -13.109 5.216 6.502 328 2HB GLU 40 HB1 GLU 40 -12.693 6.093 7.975 329 1HG GLU 40 HG2 GLU 40 -11.592 7.842 6.598 330 2HG GLU 40 HG1 GLU 40 -12.087 6.982 5.141 331 H ALA 41 HN ALA 41 -13.012 3.983 7.890 332 HA ALA 41 HA ALA 41 -13.372 2.164 9.247 333 1HB ALA 41 HB1 ALA 41 -10.626 1.115 8.747 334 2HB ALA 41 HB2 ALA 41 -11.719 1.255 7.369 335 3HB ALA 41 HB3 ALA 41 -12.170 0.265 8.758 336 H THR 42 HN THR 42 -12.914 1.368 11.348 337 HA THR 42 HA THR 42 -11.581 3.229 13.042 338 HB THR 42 HB THR 42 -12.086 1.614 14.840 339 HG1 THR 42 HG1 THR 42 -12.178 -0.050 12.714 340 1HG2 THR 42 HG21 THR 42 -13.939 2.951 14.515 341 2HG2 THR 42 HG22 THR 42 -14.640 1.380 14.130 342 3HG2 THR 42 HG23 THR 42 -14.129 2.460 12.832 343 H VAL 43 HN VAL 43 -10.313 1.001 10.995 344 HA VAL 43 HA VAL 43 -7.931 0.591 12.689 345 HB VAL 43 HB VAL 43 -7.610 -1.415 11.071 346 1HG1 VAL 43 HG11 VAL 43 -9.021 -2.834 12.564 347 2HG1 VAL 43 HG12 VAL 43 -9.769 -1.367 13.199 348 3HG1 VAL 43 HG13 VAL 43 -8.052 -1.667 13.465 349 1HG2 VAL 43 HG21 VAL 43 -9.665 -2.339 10.165 350 2HG2 VAL 43 HG22 VAL 43 -9.493 -0.685 9.575 351 3HG2 VAL 43 HG23 VAL 43 -10.611 -1.042 10.892 352 HA PRO 44 HA PRO 44 -6.725 3.157 9.065 353 1HB PRO 44 HB2 PRO 44 -4.872 4.505 10.812 354 2HB PRO 44 HB1 PRO 44 -6.325 5.152 10.039 355 1HG PRO 44 HG2 PRO 44 -5.982 4.672 12.754 356 2HG PRO 44 HG1 PRO 44 -7.515 4.974 11.927 357 1HD PRO 44 HD2 PRO 44 -6.415 2.427 12.952 358 2HD PRO 44 HD1 PRO 44 -8.100 2.876 12.618 359 H ILE 45 HN ILE 45 -4.724 3.231 7.911 360 HA ILE 45 HA ILE 45 -2.856 1.102 8.727 361 HB ILE 45 HB ILE 45 -3.200 2.357 6.000 362 1HG1 ILE 45 HG12 ILE 45 -4.163 -0.202 5.820 363 2HG1 ILE 45 HG11 ILE 45 -4.708 0.259 7.435 364 1HG2 ILE 45 HG21 ILE 45 -1.276 1.242 5.603 365 2HG2 ILE 45 HG22 ILE 45 -2.193 -0.248 5.821 366 3HG2 ILE 45 HG23 ILE 45 -1.330 0.462 7.186 367 1HD1 ILE 45 HD11 ILE 45 -6.317 0.828 5.546 368 2HD1 ILE 45 HD12 ILE 45 -5.128 2.010 5.001 369 3HD1 ILE 45 HD13 ILE 45 -5.874 2.178 6.590 370 H SER 46 HN SER 46 -0.661 1.440 8.833 371 HA SER 46 HA SER 46 0.189 4.266 8.803 372 1HB SER 46 HB2 SER 46 0.569 2.894 10.880 373 2HB SER 46 HB1 SER 46 1.644 1.864 9.938 374 HG SER 46 HG SER 46 2.177 4.187 11.110 375 H LEU 47 HN LEU 47 1.201 4.923 7.008 376 HA LEU 47 HA LEU 47 2.482 2.901 5.297 377 1HB LEU 47 HB2 LEU 47 0.694 4.664 4.528 378 2HB LEU 47 HB1 LEU 47 2.072 5.761 4.496 379 HG LEU 47 HG LEU 47 1.633 3.252 2.877 380 1HD1 LEU 47 HD11 LEU 47 0.847 5.463 2.034 381 2HD1 LEU 47 HD12 LEU 47 2.106 4.759 1.018 382 3HD1 LEU 47 HD13 LEU 47 2.503 6.058 2.141 383 1HD2 LEU 47 HD21 LEU 47 3.889 2.972 3.660 384 2HD2 LEU 47 HD22 LEU 47 4.240 4.688 3.449 385 3HD2 LEU 47 HD23 LEU 47 4.003 3.655 2.041 386 H GLN 48 HN GLN 48 4.627 2.722 5.306 387 HA GLN 48 HA GLN 48 6.239 5.094 5.982 388 1HB GLN 48 HB2 GLN 48 6.409 2.283 6.986 389 2HB GLN 48 HB1 GLN 48 7.879 3.237 6.837 390 1HG GLN 48 HG2 GLN 48 6.755 5.043 8.181 391 2HG GLN 48 HG1 GLN 48 5.407 3.934 8.438 392 1HE2 GLN 48 HE21 GLN 48 7.978 1.896 8.313 393 2HE2 GLN 48 HE22 GLN 48 8.414 1.864 9.953 394 H VAL 49 HN VAL 49 7.952 5.489 4.668 395 HA VAL 49 HA VAL 49 8.218 3.753 2.311 396 HB VAL 49 HB VAL 49 9.324 6.539 2.703 397 1HG1 VAL 49 HG11 VAL 49 9.461 4.497 0.597 398 2HG1 VAL 49 HG12 VAL 49 10.473 5.917 0.854 399 3HG1 VAL 49 HG13 VAL 49 8.930 6.073 0.014 400 1HG2 VAL 49 HG21 VAL 49 7.387 7.418 1.720 401 2HG2 VAL 49 HG22 VAL 49 6.718 6.145 2.741 402 3HG2 VAL 49 HG23 VAL 49 6.927 5.870 1.011 403 H ILE 50 HN ILE 50 10.066 2.725 1.821 404 HA ILE 50 HA ILE 50 12.349 3.143 3.648 405 HB ILE 50 HB ILE 50 11.644 0.599 2.166 406 1HG1 ILE 50 HG12 ILE 50 11.072 1.525 4.995 407 2HG1 ILE 50 HG11 ILE 50 9.906 0.987 3.790 408 1HG2 ILE 50 HG21 ILE 50 13.321 -0.388 3.663 409 2HG2 ILE 50 HG22 ILE 50 13.569 1.174 4.443 410 3HG2 ILE 50 HG23 ILE 50 14.040 0.946 2.759 411 1HD1 ILE 50 HD11 ILE 50 12.060 -0.755 5.027 412 2HD1 ILE 50 HD12 ILE 50 10.847 -1.277 3.860 413 3HD1 ILE 50 HD13 ILE 50 10.355 -0.773 5.474 414 H ASN 51 HN ASN 51 14.222 3.724 2.717 415 HA ASN 51 HA ASN 51 14.219 4.251 -0.109 416 1HB ASN 51 HB2 ASN 51 16.256 4.676 2.082 417 2HB ASN 51 HB1 ASN 51 16.570 5.072 0.396 418 1HD2 ASN 51 HD21 ASN 51 14.095 6.133 -0.409 419 2HD2 ASN 51 HD22 ASN 51 13.762 7.533 0.491 420 H VAL 52 HN VAL 52 14.525 2.589 -1.455 421 HA VAL 52 HA VAL 52 15.737 0.141 -0.867 422 HB VAL 52 HB VAL 52 15.819 -0.205 -3.288 423 1HG1 VAL 52 HG11 VAL 52 13.492 0.830 -1.848 424 2HG1 VAL 52 HG12 VAL 52 13.612 -0.555 -2.935 425 3HG1 VAL 52 HG13 VAL 52 13.362 1.061 -3.592 426 1HG2 VAL 52 HG21 VAL 52 14.901 1.921 -4.599 427 2HG2 VAL 52 HG22 VAL 52 16.626 1.731 -4.287 428 3HG2 VAL 52 HG23 VAL 52 15.656 2.788 -3.260 429 H ALA 53 HN ALA 53 17.097 3.215 -1.604 430 HA ALA 53 HA ALA 53 19.665 2.298 -2.477 431 1HB ALA 53 HB1 ALA 53 19.634 4.952 -1.277 432 2HB ALA 53 HB2 ALA 53 18.323 4.735 -2.437 433 3HB ALA 53 HB3 ALA 53 19.995 4.475 -2.936 434 H ASP 54 HN ASP 54 18.124 2.438 0.554 435 HA ASP 54 HA ASP 54 20.630 2.746 2.016 436 1HB ASP 54 HB2 ASP 54 17.764 2.518 2.938 437 2HB ASP 54 HB1 ASP 54 19.143 2.645 4.029 438 H GLN 55 HN GLN 55 18.088 0.317 1.457 439 HA GLN 55 HA GLN 55 20.008 -1.709 2.378 440 1HB GLN 55 HB2 GLN 55 18.395 -2.789 3.780 441 2HB GLN 55 HB1 GLN 55 18.452 -1.084 4.230 442 1HG GLN 55 HG2 GLN 55 16.518 -0.954 2.370 443 2HG GLN 55 HG1 GLN 55 16.272 -2.615 2.906 444 1HE2 GLN 55 HE21 GLN 55 15.885 0.736 3.808 445 2HE2 GLN 55 HE22 GLN 55 15.199 0.446 5.334 446 HA PRO 56 HA PRO 56 18.016 -3.027 -1.562 447 1HB PRO 56 HB2 PRO 56 20.623 -3.885 -2.431 448 2HB PRO 56 HB1 PRO 56 19.634 -2.566 -3.077 449 1HG PRO 56 HG2 PRO 56 22.017 -2.292 -1.685 450 2HG PRO 56 HG1 PRO 56 20.833 -1.013 -1.989 451 1HD PRO 56 HD2 PRO 56 21.357 -2.526 0.509 452 2HD PRO 56 HD1 PRO 56 20.656 -0.908 0.292 453 H GLN 57 HN GLN 57 19.764 -4.395 0.963 454 HA GLN 57 HA GLN 57 20.037 -7.081 0.070 455 1HB GLN 57 HB2 GLN 57 21.419 -6.423 1.866 456 2HB GLN 57 HB1 GLN 57 20.063 -5.762 2.778 457 1HG GLN 57 HG2 GLN 57 19.138 -8.011 3.091 458 2HG GLN 57 HG1 GLN 57 20.441 -8.698 2.117 459 1HE2 GLN 57 HE21 GLN 57 19.548 -8.410 5.265 460 2HE2 GLN 57 HE22 GLN 57 21.076 -8.323 6.002 461 H LEU 58 HN LEU 58 17.584 -5.473 2.129 462 HA LEU 58 HA LEU 58 16.089 -7.888 2.464 463 1HB LEU 58 HB2 LEU 58 14.708 -6.661 3.819 464 2HB LEU 58 HB1 LEU 58 16.119 -5.609 3.844 465 HG LEU 58 HG LEU 58 15.067 -4.443 1.802 466 1HD1 LEU 58 HD11 LEU 58 13.178 -6.543 2.247 467 2HD1 LEU 58 HD12 LEU 58 13.130 -5.281 1.016 468 3HD1 LEU 58 HD13 LEU 58 12.372 -5.017 2.583 469 1HD2 LEU 58 HD21 LEU 58 15.011 -3.831 4.410 470 2HD2 LEU 58 HD22 LEU 58 13.286 -4.110 4.185 471 3HD2 LEU 58 HD23 LEU 58 14.111 -2.883 3.230 472 H VAL 59 HN VAL 59 16.188 -5.331 0.117 473 HA VAL 59 HA VAL 59 13.661 -5.691 -1.098 474 HB VAL 59 HB VAL 59 16.240 -4.881 -2.462 475 1HG1 VAL 59 HG11 VAL 59 14.719 -3.609 -3.912 476 2HG1 VAL 59 HG12 VAL 59 13.336 -4.178 -2.976 477 3HG1 VAL 59 HG13 VAL 59 14.288 -5.316 -3.925 478 1HG2 VAL 59 HG21 VAL 59 15.721 -2.600 -1.778 479 2HG2 VAL 59 HG22 VAL 59 15.811 -3.612 -0.337 480 3HG2 VAL 59 HG23 VAL 59 14.241 -3.138 -0.985 481 H GLU 60 HN GLU 60 16.843 -7.182 -1.719 482 HA GLU 60 HA GLU 60 15.912 -8.859 -3.846 483 1HB GLU 60 HB2 GLU 60 18.349 -9.050 -2.059 484 2HB GLU 60 HB1 GLU 60 18.051 -10.101 -3.444 485 1HG GLU 60 HG2 GLU 60 17.906 -8.079 -4.896 486 2HG GLU 60 HG1 GLU 60 18.331 -7.085 -3.504 487 H TYR 61 HN TYR 61 16.072 -9.163 -0.350 488 HA TYR 61 HA TYR 61 15.759 -11.920 -0.067 489 1HB TYR 61 HB2 TYR 61 16.125 -10.350 1.826 490 2HB TYR 61 HB1 TYR 61 14.465 -9.778 1.640 491 HD1 TYR 61 HD1 TYR 61 16.596 -12.620 2.625 492 HD2 TYR 61 HD2 TYR 61 12.568 -11.182 2.239 493 HE1 TYR 61 HE1 TYR 61 15.786 -14.528 3.987 494 HE2 TYR 61 HE2 TYR 61 11.756 -13.088 3.601 495 HH TYR 61 HH TYR 61 12.348 -15.149 4.417 496 H TYR 62 HN TYR 62 13.353 -9.394 -0.617 497 HA TYR 62 HA TYR 62 11.156 -11.291 -0.702 498 1HB TYR 62 HB2 TYR 62 11.370 -8.322 -1.233 499 2HB TYR 62 HB1 TYR 62 9.875 -9.227 -1.415 500 HD1 TYR 62 HD1 TYR 62 11.510 -7.129 0.737 501 HD2 TYR 62 HD2 TYR 62 9.559 -10.955 0.756 502 HE1 TYR 62 HE1 TYR 62 11.085 -6.900 3.165 503 HE2 TYR 62 HE2 TYR 62 9.139 -10.729 3.188 504 HH TYR 62 HH TYR 62 10.677 -8.435 5.114 505 H ARG 63 HN ARG 63 13.598 -11.056 -2.652 506 HA ARG 63 HA ARG 63 13.975 -11.422 -4.891 507 1HB ARG 63 HB2 ARG 63 11.040 -12.161 -4.789 508 2HB ARG 63 HB1 ARG 63 12.069 -12.387 -6.206 509 1HG ARG 63 HG2 ARG 63 13.618 -13.760 -4.789 510 2HG ARG 63 HG1 ARG 63 12.450 -13.637 -3.472 511 1HD ARG 63 HD2 ARG 63 11.925 -14.825 -6.203 512 2HD ARG 63 HD1 ARG 63 12.128 -15.732 -4.708 513 HE ARG 63 HE ARG 63 10.079 -14.286 -3.979 514 1HH1 ARG 63 HH21 ARG 63 10.255 -16.737 -6.177 515 2HH1 ARG 63 HH22 ARG 63 8.812 -16.347 -7.054 516 1HH2 ARG 63 HH11 ARG 63 8.401 -13.263 -5.521 517 2HH2 ARG 63 HH12 ARG 63 7.758 -14.381 -6.677 518 H LEU 64 HN LEU 64 12.320 -9.035 -3.584 519 HA LEU 64 HA LEU 64 11.036 -7.681 -5.706 520 1HB LEU 64 HB2 LEU 64 10.979 -7.297 -3.125 521 2HB LEU 64 HB1 LEU 64 12.414 -6.318 -3.394 522 HG LEU 64 HG LEU 64 10.323 -4.982 -3.390 523 1HD1 LEU 64 HD11 LEU 64 11.039 -3.586 -5.074 524 2HD1 LEU 64 HD12 LEU 64 11.296 -4.911 -6.213 525 3HD1 LEU 64 HD13 LEU 64 12.457 -4.622 -4.917 526 1HD2 LEU 64 HD21 LEU 64 9.574 -6.043 -6.066 527 2HD2 LEU 64 HD22 LEU 64 8.550 -5.411 -4.776 528 3HD2 LEU 64 HD23 LEU 64 9.182 -7.055 -4.674 529 H VAL 65 HN VAL 65 11.905 -6.599 -7.401 530 HA VAL 65 HA VAL 65 14.675 -5.627 -7.211 531 HB VAL 65 HB VAL 65 13.758 -7.094 -9.676 532 1HG1 VAL 65 HG11 VAL 65 15.886 -6.747 -10.392 533 2HG1 VAL 65 HG12 VAL 65 16.574 -7.099 -8.807 534 3HG1 VAL 65 HG13 VAL 65 15.931 -5.494 -9.152 535 1HG2 VAL 65 HG21 VAL 65 13.647 -8.904 -8.244 536 2HG2 VAL 65 HG22 VAL 65 14.757 -8.186 -7.077 537 3HG2 VAL 65 HG23 VAL 65 15.380 -8.901 -8.564 538 H VAL 66 HN VAL 66 11.469 -5.126 -8.155 539 HA VAL 66 HA VAL 66 12.230 -2.986 -10.026 540 HB VAL 66 HB VAL 66 9.764 -3.056 -10.594 541 1HG1 VAL 66 HG11 VAL 66 10.174 -5.571 -11.569 542 2HG1 VAL 66 HG12 VAL 66 11.826 -5.089 -11.180 543 3HG1 VAL 66 HG13 VAL 66 10.860 -4.115 -12.289 544 1HG2 VAL 66 HG21 VAL 66 8.405 -4.791 -9.806 545 2HG2 VAL 66 HG22 VAL 66 9.332 -4.348 -8.371 546 3HG2 VAL 66 HG23 VAL 66 9.786 -5.771 -9.311 547 H THR 67 HN THR 67 11.581 -0.910 -9.662 548 HA THR 67 HA THR 67 9.989 -0.379 -7.259 549 HB THR 67 HB THR 67 11.588 1.596 -6.833 550 HG1 THR 67 HG1 THR 67 13.111 1.713 -8.257 551 1HG2 THR 67 HG21 THR 67 13.328 -0.483 -6.097 552 2HG2 THR 67 HG22 THR 67 11.722 -1.215 -6.120 553 3HG2 THR 67 HG23 THR 67 12.032 0.205 -5.120 554 HA PRO 68 HA PRO 68 9.482 1.675 -6.234 555 1HB PRO 68 HB2 PRO 68 6.749 2.561 -6.351 556 2HB PRO 68 HB1 PRO 68 8.176 3.475 -5.841 557 1HG PRO 68 HG2 PRO 68 6.677 3.917 -8.133 558 2HG PRO 68 HG1 PRO 68 8.289 4.563 -7.796 559 1HD PRO 68 HD2 PRO 68 7.493 2.344 -9.591 560 2HD PRO 68 HD1 PRO 68 8.933 3.382 -9.648 561 H ALA 69 HN ALA 69 8.219 0.480 -4.681 562 HA ALA 69 HA ALA 69 6.227 -1.391 -5.714 563 1HB ALA 69 HB1 ALA 69 8.332 -2.586 -6.071 564 2HB ALA 69 HB2 ALA 69 7.435 -3.334 -4.749 565 3HB ALA 69 HB3 ALA 69 8.808 -2.284 -4.399 566 H LEU 70 HN LEU 70 4.854 -2.173 -4.074 567 HA LEU 70 HA LEU 70 5.318 -1.017 -1.390 568 1HB LEU 70 HB2 LEU 70 3.440 -0.017 -2.813 569 2HB LEU 70 HB1 LEU 70 2.603 -1.545 -2.577 570 HG LEU 70 HG LEU 70 3.707 0.043 -0.263 571 1HD1 LEU 70 HD11 LEU 70 0.883 0.302 -0.403 572 2HD1 LEU 70 HD12 LEU 70 1.514 0.737 -1.990 573 3HD1 LEU 70 HD13 LEU 70 2.092 1.576 -0.552 574 1HD2 LEU 70 HD21 LEU 70 1.489 -1.302 0.581 575 2HD2 LEU 70 HD22 LEU 70 3.126 -1.942 0.694 576 3HD2 LEU 70 HD23 LEU 70 2.088 -2.404 -0.654 577 H VAL 71 HN VAL 71 5.185 -2.371 0.338 578 HA VAL 71 HA VAL 71 4.090 -5.063 -0.147 579 HB VAL 71 HB VAL 71 6.633 -4.557 1.391 580 1HG1 VAL 71 HG11 VAL 71 5.581 -7.096 0.123 581 2HG1 VAL 71 HG12 VAL 71 5.231 -6.644 1.791 582 3HG1 VAL 71 HG13 VAL 71 6.895 -6.934 1.287 583 1HG2 VAL 71 HG21 VAL 71 7.542 -5.758 -0.813 584 2HG2 VAL 71 HG22 VAL 71 7.379 -4.004 -0.738 585 3HG2 VAL 71 HG23 VAL 71 6.139 -4.971 -1.536 586 H LYS 72 HN LYS 72 2.682 -5.710 1.333 587 HA LYS 72 HA LYS 72 2.428 -4.198 3.835 588 1HB LYS 72 HB2 LYS 72 0.423 -4.797 2.352 589 2HB LYS 72 HB1 LYS 72 0.640 -6.456 2.910 590 1HG LYS 72 HG2 LYS 72 0.743 -4.616 5.152 591 2HG LYS 72 HG1 LYS 72 -0.747 -4.391 4.238 592 1HD LYS 72 HD2 LYS 72 0.180 -7.167 4.931 593 2HD LYS 72 HD1 LYS 72 -0.684 -6.199 6.127 594 1HE LYS 72 HE2 LYS 72 -1.832 -6.315 3.384 595 2HE LYS 72 HE1 LYS 72 -1.975 -7.763 4.376 596 1HZ LYS 72 HZ1 LYS 72 -2.846 -6.254 6.164 597 2HZ LYS 72 HZ2 LYS 72 -3.867 -6.462 4.821 598 3HZ LYS 72 HZ3 LYS 72 -2.957 -5.037 4.988 599 H ILE 73 HN ILE 73 3.008 -5.001 5.775 600 HA ILE 73 HA ILE 73 4.204 -7.692 5.766 601 HB ILE 73 HB ILE 73 5.058 -6.701 8.089 602 1HG1 ILE 73 HG12 ILE 73 3.615 -4.570 7.349 603 2HG1 ILE 73 HG11 ILE 73 5.132 -4.395 8.225 604 1HG2 ILE 73 HG21 ILE 73 6.563 -7.455 6.382 605 2HG2 ILE 73 HG22 ILE 73 7.033 -5.799 6.762 606 3HG2 ILE 73 HG23 ILE 73 6.102 -6.137 5.304 607 1HD1 ILE 73 HD11 ILE 73 5.169 -4.520 5.223 608 2HD1 ILE 73 HD12 ILE 73 6.317 -3.752 6.321 609 3HD1 ILE 73 HD13 ILE 73 4.745 -3.008 6.027 610 H GLY 74 HN GLY 74 1.542 -5.900 7.139 611 1HA GLY 74 HA2 GLY 74 0.044 -7.936 8.016 612 2HA GLY 74 HA1 GLY 74 1.226 -7.827 9.308 613 HA PRO 75 HA PRO 75 -0.122 -8.291 10.919 614 1HB PRO 75 HB2 PRO 75 -2.860 -8.309 11.791 615 2HB PRO 75 HB1 PRO 75 -1.393 -8.149 12.769 616 1HG PRO 75 HG2 PRO 75 -3.297 -6.170 12.262 617 2HG PRO 75 HG1 PRO 75 -1.707 -5.952 13.004 618 1HD PRO 75 HD2 PRO 75 -2.598 -5.227 10.298 619 2HD PRO 75 HD1 PRO 75 -1.171 -4.680 11.205 620 H GLY 76 HN GLY 76 -1.871 -7.277 8.309 621 1HA GLY 76 HA2 GLY 76 -3.486 -9.629 7.846 622 2HA GLY 76 HA1 GLY 76 -3.157 -8.340 6.689 623 H SER 77 HN SER 77 -3.013 -10.583 5.426 624 HA SER 77 HA SER 77 -0.662 -12.129 5.724 625 1HB SER 77 HB2 SER 77 -2.288 -13.183 4.449 626 2HB SER 77 HB1 SER 77 -2.634 -11.743 3.496 627 HG SER 77 HG SER 77 -0.201 -13.215 3.454 628 H ARG 78 HN ARG 78 1.179 -12.210 4.334 629 HA ARG 78 HA ARG 78 2.257 -9.572 3.810 630 1HB ARG 78 HB2 ARG 78 3.603 -11.451 4.793 631 2HB ARG 78 HB1 ARG 78 3.510 -12.268 3.231 632 1HG ARG 78 HG2 ARG 78 4.646 -10.423 2.136 633 2HG ARG 78 HG1 ARG 78 4.615 -9.473 3.621 634 1HD ARG 78 HD2 ARG 78 6.808 -10.429 3.473 635 2HD ARG 78 HD1 ARG 78 5.947 -11.334 4.714 636 HE ARG 78 HE ARG 78 5.869 -13.192 3.257 637 1HH1 ARG 78 HH21 ARG 78 5.486 -11.478 0.712 638 2HH1 ARG 78 HH22 ARG 78 6.938 -11.853 -0.153 639 1HH2 ARG 78 HH11 ARG 78 8.543 -13.216 2.603 640 2HH2 ARG 78 HH12 ARG 78 8.667 -12.840 0.917 641 H GLN 79 HN GLN 79 2.389 -8.574 1.883 642 HA GLN 79 HA GLN 79 2.068 -10.142 -0.581 643 1HB GLN 79 HB2 GLN 79 0.293 -7.836 0.239 644 2HB GLN 79 HB1 GLN 79 0.390 -8.462 -1.407 645 1HG GLN 79 HG2 GLN 79 -0.281 -10.693 -0.603 646 2HG GLN 79 HG1 GLN 79 -0.381 -10.070 1.044 647 1HE2 GLN 79 HE21 GLN 79 -1.381 -7.467 -0.611 648 2HE2 GLN 79 HE22 GLN 79 -3.043 -7.784 -0.730 649 H VAL 80 HN VAL 80 2.803 -9.061 -2.470 650 HA VAL 80 HA VAL 80 4.410 -6.635 -1.940 651 HB VAL 80 HB VAL 80 5.164 -8.977 -3.706 652 1HG1 VAL 80 HG11 VAL 80 6.311 -7.289 -4.738 653 2HG1 VAL 80 HG12 VAL 80 7.414 -7.502 -3.380 654 3HG1 VAL 80 HG13 VAL 80 6.202 -6.222 -3.340 655 1HG2 VAL 80 HG21 VAL 80 5.293 -8.956 -1.005 656 2HG2 VAL 80 HG22 VAL 80 6.810 -8.135 -1.376 657 3HG2 VAL 80 HG23 VAL 80 6.503 -9.751 -2.012 658 H LEU 81 HN LEU 81 3.746 -4.983 -3.136 659 HA LEU 81 HA LEU 81 2.462 -5.537 -5.743 660 1HB LEU 81 HB2 LEU 81 2.148 -3.070 -4.028 661 2HB LEU 81 HB1 LEU 81 1.223 -3.487 -5.467 662 HG LEU 81 HG LEU 81 1.267 -5.250 -3.010 663 1HD1 LEU 81 HD11 LEU 81 0.421 -2.902 -2.545 664 2HD1 LEU 81 HD12 LEU 81 -0.753 -4.186 -2.266 665 3HD1 LEU 81 HD13 LEU 81 -0.847 -3.208 -3.730 666 1HD2 LEU 81 HD21 LEU 81 -1.129 -5.180 -4.667 667 2HD2 LEU 81 HD22 LEU 81 -0.131 -6.561 -4.210 668 3HD2 LEU 81 HD23 LEU 81 0.297 -5.591 -5.617 669 H SER 82 HN SER 82 3.453 -4.724 -7.539 670 HA SER 82 HA SER 82 5.172 -2.401 -7.308 671 1HB SER 82 HB2 SER 82 6.760 -4.103 -6.683 672 2HB SER 82 HB1 SER 82 6.313 -5.088 -8.070 673 HG SER 82 HG SER 82 6.980 -3.238 -9.361 674 H GLY 83 HN GLY 83 6.151 -1.794 -9.358 675 1HA GLY 83 HA2 GLY 83 6.175 -1.659 -11.712 676 2HA GLY 83 HA1 GLY 83 4.894 -2.860 -11.775 677 H ILE 84 HN ILE 84 5.229 0.342 -10.264 678 HA ILE 84 HA ILE 84 3.722 2.083 -10.107 679 HB ILE 84 HB ILE 84 3.235 3.093 -12.238 680 1HG1 ILE 84 HG12 ILE 84 4.067 0.487 -13.545 681 2HG1 ILE 84 HG11 ILE 84 2.379 0.922 -13.274 682 1HG2 ILE 84 HG21 ILE 84 5.707 2.515 -11.341 683 2HG2 ILE 84 HG22 ILE 84 5.428 3.422 -12.828 684 3HG2 ILE 84 HG23 ILE 84 5.773 1.693 -12.898 685 1HD1 ILE 84 HD11 ILE 84 4.336 2.677 -14.777 686 2HD1 ILE 84 HD12 ILE 84 2.588 2.883 -14.660 687 3HD1 ILE 84 HD13 ILE 84 3.257 1.525 -15.565 688 H ASP 85 HN ASP 85 2.591 -0.902 -10.499 689 HA ASP 85 HA ASP 85 -0.192 -0.157 -11.073 690 1HB ASP 85 HB2 ASP 85 -0.633 -2.533 -11.183 691 2HB ASP 85 HB1 ASP 85 0.805 -2.195 -12.145 692 H LEU 86 HN LEU 86 1.675 0.197 -8.589 693 HA LEU 86 HA LEU 86 0.780 -1.190 -6.390 694 1HB LEU 86 HB2 LEU 86 1.683 1.667 -6.710 695 2HB LEU 86 HB1 LEU 86 1.311 0.971 -5.137 696 HG LEU 86 HG LEU 86 2.949 -0.894 -5.706 697 1HD1 LEU 86 HD11 LEU 86 4.707 0.028 -7.430 698 2HD1 LEU 86 HD12 LEU 86 3.339 0.954 -8.045 699 3HD1 LEU 86 HD13 LEU 86 3.273 -0.810 -8.019 700 1HD2 LEU 86 HD21 LEU 86 4.650 0.292 -4.697 701 2HD2 LEU 86 HD22 LEU 86 3.340 1.446 -4.441 702 3HD2 LEU 86 HD23 LEU 86 4.467 1.674 -5.777 703 H THR 87 HN THR 87 -0.610 1.806 -7.750 704 HA THR 87 HA THR 87 -2.634 2.052 -5.791 705 HB THR 87 HB THR 87 -3.639 3.688 -7.291 706 HG1 THR 87 HG1 THR 87 -1.873 2.504 -9.155 707 1HG2 THR 87 HG21 THR 87 -1.543 4.265 -6.047 708 2HG2 THR 87 HG22 THR 87 -1.734 5.178 -7.544 709 3HG2 THR 87 HG23 THR 87 -0.618 3.814 -7.479 710 H ASP 88 HN ASP 88 -2.670 0.539 -9.016 711 HA ASP 88 HA ASP 88 -5.456 -0.081 -8.910 712 1HB ASP 88 HB2 ASP 88 -3.202 -1.244 -10.563 713 2HB ASP 88 HB1 ASP 88 -4.907 -1.603 -10.806 714 H GLN 89 HN GLN 89 -2.487 -1.939 -8.329 715 HA GLN 89 HA GLN 89 -3.815 -4.344 -7.606 716 1HB GLN 89 HB2 GLN 89 -1.229 -3.668 -8.152 717 2HB GLN 89 HB1 GLN 89 -1.170 -3.835 -6.397 718 1HG GLN 89 HG2 GLN 89 -1.949 -6.086 -6.482 719 2HG GLN 89 HG1 GLN 89 -2.454 -5.929 -8.162 720 1HE2 GLN 89 HE21 GLN 89 0.195 -4.375 -8.669 721 2HE2 GLN 89 HE22 GLN 89 1.348 -5.611 -8.808 722 H LEU 90 HN LEU 90 -2.584 -1.569 -5.723 723 HA LEU 90 HA LEU 90 -3.039 -2.630 -3.161 724 1HB LEU 90 HB2 LEU 90 -1.811 -0.543 -3.508 725 2HB LEU 90 HB1 LEU 90 -3.279 0.241 -4.094 726 HG LEU 90 HG LEU 90 -4.341 -0.327 -1.859 727 1HD1 LEU 90 HD11 LEU 90 -2.330 -0.551 -0.103 728 2HD1 LEU 90 HD12 LEU 90 -1.574 -1.370 -1.469 729 3HD1 LEU 90 HD13 LEU 90 -3.101 -1.966 -0.818 730 1HD2 LEU 90 HD21 LEU 90 -3.767 1.765 -1.219 731 2HD2 LEU 90 HD22 LEU 90 -2.714 1.790 -2.634 732 3HD2 LEU 90 HD23 LEU 90 -2.066 1.327 -1.059 733 H ALA 91 HN ALA 91 -5.176 -0.774 -5.301 734 HA ALA 91 HA ALA 91 -7.406 -0.624 -3.609 735 1HB ALA 91 HB1 ALA 91 -8.178 -0.987 -6.377 736 2HB ALA 91 HB2 ALA 91 -6.798 0.104 -6.248 737 3HB ALA 91 HB3 ALA 91 -8.285 0.456 -5.369 738 H ASN 92 HN ASN 92 -6.213 -3.203 -5.661 739 HA ASN 92 HA ASN 92 -8.588 -4.823 -5.402 740 1HB ASN 92 HB2 ASN 92 -5.823 -5.325 -6.497 741 2HB ASN 92 HB1 ASN 92 -7.070 -6.564 -6.442 742 1HD2 ASN 92 HD21 ASN 92 -6.095 -5.734 -8.956 743 2HD2 ASN 92 HD22 ASN 92 -7.297 -4.842 -9.757 744 H GLN 93 HN GLN 93 -5.410 -4.620 -3.915 745 HA GLN 93 HA GLN 93 -5.688 -7.024 -2.385 746 1HB GLN 93 HB2 GLN 93 -3.744 -4.718 -2.200 747 2HB GLN 93 HB1 GLN 93 -3.636 -6.184 -1.236 748 1HG GLN 93 HG2 GLN 93 -3.550 -6.038 -4.255 749 2HG GLN 93 HG1 GLN 93 -2.190 -6.383 -3.188 750 1HE2 GLN 93 HE21 GLN 93 -4.414 -7.907 -5.133 751 2HE2 GLN 93 HE22 GLN 93 -4.459 -9.411 -4.355 752 H LEU 94 HN LEU 94 -6.113 -3.570 -1.734 753 HA LEU 94 HA LEU 94 -6.327 -3.628 1.021 754 1HB LEU 94 HB2 LEU 94 -6.302 -1.519 -0.022 755 2HB LEU 94 HB1 LEU 94 -7.686 -1.902 -1.033 756 HG LEU 94 HG LEU 94 -9.157 -1.949 0.912 757 1HD1 LEU 94 HD11 LEU 94 -7.942 -2.785 2.707 758 2HD1 LEU 94 HD12 LEU 94 -7.960 -1.069 3.105 759 3HD1 LEU 94 HD13 LEU 94 -6.535 -1.784 2.355 760 1HD2 LEU 94 HD21 LEU 94 -9.272 0.349 1.216 761 2HD2 LEU 94 HD22 LEU 94 -8.221 0.282 -0.199 762 3HD2 LEU 94 HD23 LEU 94 -7.527 0.515 1.406 763 HA PRO 95 HA PRO 95 -11.191 -4.367 0.539 764 1HB PRO 95 HB2 PRO 95 -11.378 -6.182 -1.687 765 2HB PRO 95 HB1 PRO 95 -12.141 -4.594 -1.514 766 1HG PRO 95 HG2 PRO 95 -9.751 -5.359 -3.006 767 2HG PRO 95 HG1 PRO 95 -10.775 -3.926 -3.169 768 1HD PRO 95 HD2 PRO 95 -8.244 -3.843 -2.134 769 2HD PRO 95 HD1 PRO 95 -9.525 -2.698 -1.682 770 H GLN 96 HN GLN 96 -8.881 -6.721 -0.767 771 HA GLN 96 HA GLN 96 -9.943 -9.025 0.474 772 1HB GLN 96 HB2 GLN 96 -7.122 -8.406 -0.437 773 2HB GLN 96 HB1 GLN 96 -7.715 -10.011 -0.004 774 1HG GLN 96 HG2 GLN 96 -9.386 -9.914 -1.780 775 2HG GLN 96 HG1 GLN 96 -8.901 -8.266 -2.179 776 1HE2 GLN 96 HE21 GLN 96 -8.769 -10.434 -4.092 777 2HE2 GLN 96 HE22 GLN 96 -7.132 -10.700 -4.457 778 H TRP 97 HN TRP 97 -7.613 -6.606 1.518 779 HA TRP 97 HA TRP 97 -6.672 -7.956 3.824 780 1HB TRP 97 HB2 TRP 97 -6.910 -4.973 3.362 781 2HB TRP 97 HB1 TRP 97 -5.875 -5.768 4.548 782 HD1 TRP 97 HD1 TRP 97 -5.555 -8.056 1.894 783 HE1 TRP 97 HE1 TRP 97 -3.572 -7.530 0.323 784 HE3 TRP 97 HE3 TRP 97 -4.646 -3.208 3.221 785 HZ2 TRP 97 HZ2 TRP 97 -1.836 -5.339 -0.278 786 HZ3 TRP 97 HZ3 TRP 97 -2.826 -1.925 2.134 787 HH2 TRP 97 HH2 TRP 97 -1.421 -2.984 0.387 788 H LEU 98 HN LEU 98 -9.449 -5.884 3.210 789 HA LEU 98 HA LEU 98 -10.224 -5.648 5.962 790 1HB LEU 98 HB2 LEU 98 -11.883 -5.236 3.463 791 2HB LEU 98 HB1 LEU 98 -12.217 -4.605 5.074 792 HG LEU 98 HG LEU 98 -9.790 -3.923 3.391 793 1HD1 LEU 98 HD11 LEU 98 -11.425 -1.677 4.107 794 2HD1 LEU 98 HD12 LEU 98 -12.452 -2.902 3.361 795 3HD1 LEU 98 HD13 LEU 98 -11.045 -2.285 2.497 796 1HD2 LEU 98 HD21 LEU 98 -9.763 -2.082 5.306 797 2HD2 LEU 98 HD22 LEU 98 -9.022 -3.662 5.566 798 3HD2 LEU 98 HD23 LEU 98 -10.631 -3.327 6.204 799 H VAL 99 HN VAL 99 -10.914 -7.807 3.299 800 HA VAL 99 HA VAL 99 -13.204 -9.080 4.364 801 HB VAL 99 HB VAL 99 -11.141 -10.057 2.383 802 1HG1 VAL 99 HG11 VAL 99 -13.214 -11.506 1.718 803 2HG1 VAL 99 HG12 VAL 99 -13.738 -11.206 3.375 804 3HG1 VAL 99 HG13 VAL 99 -12.206 -12.026 3.068 805 1HG2 VAL 99 HG21 VAL 99 -12.906 -7.977 2.141 806 2HG2 VAL 99 HG22 VAL 99 -13.883 -9.322 1.555 807 3HG2 VAL 99 HG23 VAL 99 -12.339 -8.955 0.786 808 H GLN 100 HN GLN 100 -9.773 -10.043 4.430 809 HA GLN 100 HA GLN 100 -8.830 -11.917 5.482 810 1HB GLN 100 HB2 GLN 100 -9.967 -10.090 7.574 811 2HB GLN 100 HB1 GLN 100 -9.076 -11.541 8.034 812 1HG GLN 100 HG2 GLN 100 -7.138 -10.815 6.765 813 2HG GLN 100 HG1 GLN 100 -8.022 -9.429 6.139 814 1HE2 GLN 100 HE21 GLN 100 -5.773 -8.671 7.395 815 2HE2 GLN 100 HE22 GLN 100 -6.071 -8.101 8.966 816 H GLN 101 HN GLN 101 -11.377 -12.651 4.469 817 HA GLN 101 HA GLN 101 -12.256 -14.530 6.578 818 1HB GLN 101 HB2 GLN 101 -13.890 -13.089 4.489 819 2HB GLN 101 HB1 GLN 101 -14.480 -14.518 5.335 820 1HG GLN 101 HG2 GLN 101 -13.315 -12.478 7.108 821 2HG GLN 101 HG1 GLN 101 -14.759 -11.941 6.250 822 1HE2 GLN 101 HE21 GLN 101 -16.315 -12.099 7.931 823 2HE2 GLN 101 HE22 GLN 101 -16.669 -13.547 8.744 824 H GLU 102 HN GLU 102 -10.567 -14.283 3.803 825 HA GLU 102 HA GLU 102 -11.526 -16.246 2.071 826 1HB GLU 102 HB2 GLU 102 -8.652 -15.541 2.717 827 2HB GLU 102 HB1 GLU 102 -9.187 -16.447 1.301 828 1HG GLU 102 HG2 GLU 102 -9.046 -14.260 0.473 829 2HG GLU 102 HG1 GLU 102 -10.753 -14.401 0.886 830 H GLY 103 HN GLY 103 -11.252 -18.468 1.915 831 1HA GLY 103 HA2 GLY 103 -9.970 -19.816 4.211 832 2HA GLY 103 HA1 GLY 103 -11.587 -20.277 3.694 833 H ILE 104 HN ILE 104 -9.622 -19.347 1.089 834 HA ILE 104 HA ILE 104 -9.084 -22.188 0.455 835 HB ILE 104 HB ILE 104 -10.714 -21.242 -1.074 836 1HG1 ILE 104 HG12 ILE 104 -7.978 -21.345 -2.384 837 2HG1 ILE 104 HG11 ILE 104 -8.950 -22.759 -1.978 838 1HG2 ILE 104 HG21 ILE 104 -9.032 -18.904 -0.794 839 2HG2 ILE 104 HG22 ILE 104 -10.656 -19.027 -1.470 840 3HG2 ILE 104 HG23 ILE 104 -9.250 -19.298 -2.499 841 1HD1 ILE 104 HD11 ILE 104 -9.486 -22.371 -4.238 842 2HD1 ILE 104 HD12 ILE 104 -9.509 -20.620 -4.026 843 3HD1 ILE 104 HD13 ILE 104 -10.816 -21.605 -3.369 844 H PHE 105 HN PHE 105 -7.027 -22.784 0.104 845 HA PHE 105 HA PHE 105 -4.718 -22.458 0.472 846 1HB PHE 105 HB2 PHE 105 -5.490 -21.317 -2.208 847 2HB PHE 105 HB1 PHE 105 -3.804 -21.439 -1.708 848 HD1 PHE 105 HD1 PHE 105 -2.783 -23.647 -1.240 849 HD2 PHE 105 HD2 PHE 105 -6.785 -23.285 -2.757 850 HE1 PHE 105 HE1 PHE 105 -2.760 -26.046 -1.867 851 HE2 PHE 105 HE2 PHE 105 -6.763 -25.685 -3.384 852 HZ PHE 105 HZ PHE 105 -4.750 -27.064 -2.940 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -5.458 -10.335 25.752 2 2H GLY 1 HT2 GLY 1 -6.916 -10.836 26.464 3 3H GLY 1 HT3 GLY 1 -6.555 -11.272 24.862 4 1HA GLY 1 HA2 GLY 1 -5.508 -13.092 25.515 5 2HA GLY 1 HA1 GLY 1 -4.471 -12.126 26.564 6 H SER 2 HN SER 2 -4.848 -12.094 28.737 7 HA SER 2 HA SER 2 -6.773 -14.014 29.768 8 1HB SER 2 HB2 SER 2 -4.674 -12.310 31.123 9 2HB SER 2 HB1 SER 2 -5.707 -13.463 31.965 10 HG SER 2 HG SER 2 -3.960 -14.044 29.796 11 H SER 3 HN SER 3 -7.086 -10.923 28.804 12 HA SER 3 HA SER 3 -8.360 -9.654 31.000 13 1HB SER 3 HB2 SER 3 -8.620 -9.160 28.029 14 2HB SER 3 HB1 SER 3 -9.267 -8.104 29.279 15 HG SER 3 HG SER 3 -7.346 -7.286 29.411 16 H LEU 4 HN LEU 4 -10.679 -8.990 30.995 17 HA LEU 4 HA LEU 4 -12.399 -11.161 31.234 18 1HB LEU 4 HB2 LEU 4 -12.834 -8.955 32.243 19 2HB LEU 4 HB1 LEU 4 -13.126 -8.280 30.641 20 HG LEU 4 HG LEU 4 -14.908 -10.165 30.416 21 1HD1 LEU 4 HD11 LEU 4 -15.896 -10.771 32.647 22 2HD1 LEU 4 HD12 LEU 4 -14.474 -10.064 33.414 23 3HD1 LEU 4 HD13 LEU 4 -14.302 -11.471 32.365 24 1HD2 LEU 4 HD21 LEU 4 -16.203 -8.526 32.319 25 2HD2 LEU 4 HD22 LEU 4 -16.170 -8.306 30.570 26 3HD2 LEU 4 HD23 LEU 4 -14.960 -7.517 31.582 27 H SER 5 HN SER 5 -11.857 -9.019 28.462 28 HA SER 5 HA SER 5 -13.957 -10.094 26.875 29 1HB SER 5 HB2 SER 5 -11.537 -8.951 25.569 30 2HB SER 5 HB1 SER 5 -13.241 -8.653 25.237 31 HG SER 5 HG SER 5 -11.523 -7.370 26.926 32 HA PRO 6 HA PRO 6 -12.104 -13.715 25.217 33 1HB PRO 6 HB2 PRO 6 -12.558 -13.205 22.421 34 2HB PRO 6 HB1 PRO 6 -13.521 -14.197 23.527 35 1HG PRO 6 HG2 PRO 6 -14.317 -11.802 22.389 36 2HG PRO 6 HG1 PRO 6 -15.061 -12.584 23.790 37 1HD PRO 6 HD2 PRO 6 -13.224 -10.247 23.700 38 2HD PRO 6 HD1 PRO 6 -14.475 -10.661 24.889 39 H GLN 7 HN GLN 7 -11.418 -11.772 22.338 40 HA GLN 7 HA GLN 7 -8.554 -12.397 22.676 41 1HB GLN 7 HB2 GLN 7 -10.138 -11.705 20.191 42 2HB GLN 7 HB1 GLN 7 -8.400 -12.004 20.229 43 1HG GLN 7 HG2 GLN 7 -8.835 -14.265 21.167 44 2HG GLN 7 HG1 GLN 7 -10.567 -13.967 21.030 45 1HE2 GLN 7 HE21 GLN 7 -9.299 -12.365 18.435 46 2HE2 GLN 7 HE22 GLN 7 -9.374 -13.597 17.271 47 H ALA 8 HN ALA 8 -6.984 -10.806 22.265 48 HA ALA 8 HA ALA 8 -7.551 -8.228 23.266 49 1HB ALA 8 HB1 ALA 8 -5.316 -8.223 23.419 50 2HB ALA 8 HB2 ALA 8 -5.190 -8.148 21.662 51 3HB ALA 8 HB3 ALA 8 -5.248 -9.712 22.476 52 H LEU 9 HN LEU 9 -6.789 -6.222 21.912 53 HA LEU 9 HA LEU 9 -8.600 -6.079 19.661 54 1HB LEU 9 HB2 LEU 9 -7.634 -3.653 19.598 55 2HB LEU 9 HB1 LEU 9 -8.722 -4.125 20.899 56 HG LEU 9 HG LEU 9 -6.615 -2.864 21.599 57 1HD1 LEU 9 HD11 LEU 9 -6.210 -5.190 23.177 58 2HD1 LEU 9 HD12 LEU 9 -7.919 -5.151 22.745 59 3HD1 LEU 9 HD13 LEU 9 -7.186 -3.775 23.568 60 1HD2 LEU 9 HD21 LEU 9 -5.274 -5.539 21.160 61 2HD2 LEU 9 HD22 LEU 9 -4.526 -4.011 21.620 62 3HD2 LEU 9 HD23 LEU 9 -5.161 -4.222 19.990 63 H ALA 10 HN ALA 10 -8.059 -5.480 17.545 64 HA ALA 10 HA ALA 10 -5.729 -6.749 16.524 65 1HB ALA 10 HB1 ALA 10 -6.825 -6.588 14.574 66 2HB ALA 10 HB2 ALA 10 -6.919 -4.830 14.696 67 3HB ALA 10 HB3 ALA 10 -8.142 -5.835 15.473 68 H GLN 11 HN GLN 11 -3.842 -5.915 15.723 69 HA GLN 11 HA GLN 11 -3.086 -3.279 16.714 70 1HB GLN 11 HB2 GLN 11 -1.399 -5.284 15.200 71 2HB GLN 11 HB1 GLN 11 -0.830 -3.934 16.180 72 1HG GLN 11 HG2 GLN 11 -2.571 -5.493 17.809 73 2HG GLN 11 HG1 GLN 11 -1.449 -6.602 17.020 74 1HE2 GLN 11 HE21 GLN 11 0.904 -5.178 16.876 75 2HE2 GLN 11 HE22 GLN 11 1.429 -4.727 18.426 76 HA PRO 12 HA PRO 12 -3.622 -0.943 13.037 77 1HB PRO 12 HB2 PRO 12 -0.908 0.009 12.908 78 2HB PRO 12 HB1 PRO 12 -2.341 0.873 13.480 79 1HG PRO 12 HG2 PRO 12 -0.229 -0.433 15.007 80 2HG PRO 12 HG1 PRO 12 -1.422 0.766 15.527 81 1HD PRO 12 HD2 PRO 12 -1.479 -1.867 16.301 82 2HD PRO 12 HD1 PRO 12 -2.925 -0.837 16.217 83 H LEU 13 HN LEU 13 -2.994 -0.919 10.782 84 HA LEU 13 HA LEU 13 -1.816 -3.423 9.917 85 1HB LEU 13 HB2 LEU 13 -3.852 -2.253 8.882 86 2HB LEU 13 HB1 LEU 13 -2.698 -1.134 8.163 87 HG LEU 13 HG LEU 13 -2.554 -4.139 7.831 88 1HD1 LEU 13 HD11 LEU 13 -4.042 -2.010 6.389 89 2HD1 LEU 13 HD12 LEU 13 -4.424 -3.724 6.565 90 3HD1 LEU 13 HD13 LEU 13 -3.214 -3.205 5.391 91 1HD2 LEU 13 HD21 LEU 13 -0.926 -1.810 6.974 92 2HD2 LEU 13 HD22 LEU 13 -1.248 -3.012 5.727 93 3HD2 LEU 13 HD23 LEU 13 -0.443 -3.488 7.221 94 H LEU 14 HN LEU 14 0.245 -3.690 9.178 95 HA LEU 14 HA LEU 14 1.927 -1.296 9.104 96 1HB LEU 14 HB2 LEU 14 2.671 -4.229 9.104 97 2HB LEU 14 HB1 LEU 14 3.791 -2.877 9.226 98 HG LEU 14 HG LEU 14 1.646 -3.672 11.205 99 1HD1 LEU 14 HD11 LEU 14 3.351 -4.364 12.566 100 2HD1 LEU 14 HD12 LEU 14 4.457 -3.119 11.986 101 3HD1 LEU 14 HD13 LEU 14 4.187 -4.574 11.027 102 1HD2 LEU 14 HD21 LEU 14 2.700 -1.644 12.479 103 2HD2 LEU 14 HD22 LEU 14 1.483 -1.329 11.240 104 3HD2 LEU 14 HD23 LEU 14 3.195 -1.111 10.872 105 H LEU 15 HN LEU 15 2.170 -0.354 7.262 106 HA LEU 15 HA LEU 15 2.224 -1.961 4.785 107 1HB LEU 15 HB2 LEU 15 0.188 -0.458 5.283 108 2HB LEU 15 HB1 LEU 15 1.277 0.898 5.010 109 HG LEU 15 HG LEU 15 0.001 0.273 2.976 110 1HD1 LEU 15 HD11 LEU 15 1.782 0.733 1.613 111 2HD1 LEU 15 HD12 LEU 15 2.797 -0.511 2.339 112 3HD1 LEU 15 HD13 LEU 15 2.566 1.032 3.160 113 1HD2 LEU 15 HD21 LEU 15 -0.022 -1.853 2.115 114 2HD2 LEU 15 HD22 LEU 15 0.314 -2.287 3.788 115 3HD2 LEU 15 HD23 LEU 15 1.635 -2.189 2.625 116 H GLN 16 HN GLN 16 3.994 -1.696 3.496 117 HA GLN 16 HA GLN 16 5.747 0.618 4.069 118 1HB GLN 16 HB2 GLN 16 6.452 -2.277 3.747 119 2HB GLN 16 HB1 GLN 16 7.625 -1.023 3.345 120 1HG GLN 16 HG2 GLN 16 7.340 -0.047 5.599 121 2HG GLN 16 HG1 GLN 16 6.210 -1.341 6.006 122 1HE2 GLN 16 HE21 GLN 16 8.366 -2.832 4.011 123 2HE2 GLN 16 HE22 GLN 16 9.493 -3.381 5.155 124 H LEU 17 HN LEU 17 7.040 1.380 2.333 125 HA LEU 17 HA LEU 17 6.214 0.475 -0.335 126 1HB LEU 17 HB2 LEU 17 4.879 2.472 0.276 127 2HB LEU 17 HB1 LEU 17 6.382 3.372 0.490 128 HG LEU 17 HG LEU 17 6.948 2.600 -1.917 129 1HD1 LEU 17 HD11 LEU 17 4.034 1.897 -1.662 130 2HD1 LEU 17 HD12 LEU 17 5.333 0.985 -2.430 131 3HD1 LEU 17 HD13 LEU 17 4.681 2.423 -3.216 132 1HD2 LEU 17 HD21 LEU 17 4.758 4.591 -1.277 133 2HD2 LEU 17 HD22 LEU 17 5.526 4.471 -2.861 134 3HD2 LEU 17 HD23 LEU 17 6.484 4.911 -1.447 135 H PHE 18 HN PHE 18 7.809 0.287 -1.769 136 HA PHE 18 HA PHE 18 10.514 1.104 -0.940 137 1HB PHE 18 HB2 PHE 18 9.479 -0.864 -2.985 138 2HB PHE 18 HB1 PHE 18 11.174 -0.391 -2.896 139 HD1 PHE 18 HD1 PHE 18 8.378 -1.862 -0.905 140 HD2 PHE 18 HD2 PHE 18 12.616 -1.337 -1.304 141 HE1 PHE 18 HE1 PHE 18 8.752 -3.506 0.914 142 HE2 PHE 18 HE2 PHE 18 12.995 -2.981 0.511 143 HZ PHE 18 HZ PHE 18 11.062 -4.063 1.625 144 H VAL 19 HN VAL 19 11.363 2.902 -1.804 145 HA VAL 19 HA VAL 19 10.542 3.630 -4.551 146 HB VAL 19 HB VAL 19 10.383 5.964 -3.941 147 1HG1 VAL 19 HG11 VAL 19 8.333 5.868 -2.811 148 2HG1 VAL 19 HG12 VAL 19 8.859 4.550 -1.766 149 3HG1 VAL 19 HG13 VAL 19 8.479 4.234 -3.458 150 1HG2 VAL 19 HG21 VAL 19 10.699 6.732 -1.654 151 2HG2 VAL 19 HG22 VAL 19 12.152 5.874 -2.164 152 3HG2 VAL 19 HG23 VAL 19 10.988 5.082 -1.100 153 H ASP 20 HN ASP 20 12.031 4.905 -5.725 154 HA ASP 20 HA ASP 20 14.823 4.513 -4.880 155 1HB ASP 20 HB2 ASP 20 15.415 4.789 -7.198 156 2HB ASP 20 HB1 ASP 20 14.061 3.661 -7.126 157 H THR 21 HN THR 21 12.776 6.650 -4.101 158 HA THR 21 HA THR 21 12.915 8.827 -3.401 159 HB THR 21 HB THR 21 14.976 9.984 -3.368 160 HG1 THR 21 HG1 THR 21 15.477 8.443 -5.635 161 1HG2 THR 21 HG21 THR 21 16.656 8.002 -2.917 162 2HG2 THR 21 HG22 THR 21 15.207 7.009 -3.074 163 3HG2 THR 21 HG23 THR 21 15.285 8.268 -1.842 164 H ARG 22 HN ARG 22 12.710 7.801 -6.506 165 HA ARG 22 HA ARG 22 12.922 10.307 -7.906 166 1HB ARG 22 HB2 ARG 22 12.206 9.152 -9.811 167 2HB ARG 22 HB1 ARG 22 13.060 7.917 -8.891 168 1HG ARG 22 HG2 ARG 22 10.858 7.223 -7.901 169 2HG ARG 22 HG1 ARG 22 10.066 8.358 -8.995 170 1HD ARG 22 HD2 ARG 22 10.372 7.025 -10.799 171 2HD ARG 22 HD1 ARG 22 12.000 6.575 -10.312 172 HE ARG 22 HE ARG 22 10.016 5.356 -8.640 173 1HH1 ARG 22 HH11 ARG 22 10.081 5.140 -11.939 174 2HH1 ARG 22 HH12 ARG 22 10.532 3.471 -12.034 175 1HH2 ARG 22 HH21 ARG 22 11.263 3.204 -8.654 176 2HH2 ARG 22 HH22 ARG 22 11.197 2.372 -10.173 177 HA PRO 23 HA PRO 23 9.167 12.271 -6.818 178 1HB PRO 23 HB2 PRO 23 8.392 12.941 -9.497 179 2HB PRO 23 HB1 PRO 23 9.148 13.983 -8.284 180 1HG PRO 23 HG2 PRO 23 10.313 12.730 -10.602 181 2HG PRO 23 HG1 PRO 23 10.994 13.967 -9.537 182 1HD PRO 23 HD2 PRO 23 11.831 11.298 -9.682 183 2HD PRO 23 HD1 PRO 23 12.213 12.429 -8.371 184 H LEU 24 HN LEU 24 8.983 10.144 -9.678 185 HA LEU 24 HA LEU 24 6.223 9.808 -9.818 186 1HB LEU 24 HB2 LEU 24 7.810 8.904 -11.483 187 2HB LEU 24 HB1 LEU 24 8.349 7.705 -10.308 188 HG LEU 24 HG LEU 24 5.899 6.987 -10.137 189 1HD1 LEU 24 HD11 LEU 24 4.752 8.817 -11.130 190 2HD1 LEU 24 HD12 LEU 24 4.641 7.516 -12.315 191 3HD1 LEU 24 HD13 LEU 24 5.811 8.816 -12.541 192 1HD2 LEU 24 HD21 LEU 24 7.092 6.627 -12.892 193 2HD2 LEU 24 HD22 LEU 24 6.142 5.472 -11.957 194 3HD2 LEU 24 HD23 LEU 24 7.789 5.861 -11.464 195 H SER 25 HN SER 25 8.593 8.028 -7.835 196 HA SER 25 HA SER 25 6.750 6.231 -6.666 197 1HB SER 25 HB2 SER 25 9.308 7.300 -5.450 198 2HB SER 25 HB1 SER 25 8.476 5.810 -5.016 199 HG SER 25 HG SER 25 9.585 4.920 -6.552 200 H GLN 26 HN GLN 26 7.988 9.403 -5.658 201 HA GLN 26 HA GLN 26 6.529 9.561 -3.224 202 1HB GLN 26 HB2 GLN 26 7.660 11.700 -5.048 203 2HB GLN 26 HB1 GLN 26 6.914 12.046 -3.490 204 1HG GLN 26 HG2 GLN 26 9.570 11.571 -3.801 205 2HG GLN 26 HG1 GLN 26 8.693 11.235 -2.309 206 1HE2 GLN 26 HE21 GLN 26 7.935 8.950 -1.992 207 2HE2 GLN 26 HE22 GLN 26 8.770 7.688 -2.761 208 H HIS 27 HN HIS 27 5.878 10.261 -6.559 209 HA HIS 27 HA HIS 27 3.459 11.705 -6.327 210 1HB HIS 27 HB2 HIS 27 5.084 10.997 -8.363 211 2HB HIS 27 HB1 HIS 27 3.846 9.758 -8.551 212 HD1 HIS 27 HD1 HIS 27 1.466 11.692 -7.572 213 HD2 HIS 27 HD2 HIS 27 4.257 12.479 -10.568 214 HE1 HIS 27 HE1 HIS 27 0.413 13.431 -9.087 215 H ILE 28 HN ILE 28 4.186 8.292 -6.860 216 HA ILE 28 HA ILE 28 1.542 7.321 -6.691 217 HB ILE 28 HB ILE 28 4.217 5.972 -6.256 218 1HG1 ILE 28 HG12 ILE 28 2.283 5.930 -8.595 219 2HG1 ILE 28 HG11 ILE 28 3.728 6.939 -8.515 220 1HG2 ILE 28 HG21 ILE 28 1.487 5.035 -5.808 221 2HG2 ILE 28 HG22 ILE 28 3.016 4.240 -5.430 222 3HG2 ILE 28 HG23 ILE 28 2.311 4.077 -7.038 223 1HD1 ILE 28 HD11 ILE 28 5.022 5.220 -9.158 224 2HD1 ILE 28 HD12 ILE 28 3.561 4.263 -9.399 225 3HD1 ILE 28 HD13 ILE 28 4.401 4.213 -7.849 226 H VAL 29 HN VAL 29 4.001 8.033 -4.271 227 HA VAL 29 HA VAL 29 2.924 6.621 -2.101 228 HB VAL 29 HB VAL 29 4.446 9.227 -2.224 229 1HG1 VAL 29 HG11 VAL 29 3.053 9.326 -0.233 230 2HG1 VAL 29 HG12 VAL 29 4.704 8.941 0.254 231 3HG1 VAL 29 HG13 VAL 29 3.483 7.670 0.192 232 1HG2 VAL 29 HG21 VAL 29 6.312 7.937 -1.768 233 2HG2 VAL 29 HG22 VAL 29 5.357 6.758 -2.668 234 3HG2 VAL 29 HG23 VAL 29 5.380 6.717 -0.904 235 H GLN 30 HN GLN 30 2.182 9.833 -3.392 236 HA GLN 30 HA GLN 30 0.277 10.584 -1.457 237 1HB GLN 30 HB2 GLN 30 0.456 11.269 -4.404 238 2HB GLN 30 HB1 GLN 30 -0.663 12.035 -3.275 239 1HG GLN 30 HG2 GLN 30 2.357 12.030 -3.056 240 2HG GLN 30 HG1 GLN 30 1.353 13.402 -3.526 241 1HE2 GLN 30 HE21 GLN 30 0.052 14.444 -1.844 242 2HE2 GLN 30 HE22 GLN 30 0.346 14.147 -0.199 243 H ARG 31 HN ARG 31 0.051 8.733 -4.469 244 HA ARG 31 HA ARG 31 -2.762 8.366 -4.410 245 1HB ARG 31 HB2 ARG 31 -0.601 6.583 -5.561 246 2HB ARG 31 HB1 ARG 31 -2.328 6.408 -5.871 247 1HG ARG 31 HG2 ARG 31 -2.321 8.807 -6.690 248 2HG ARG 31 HG1 ARG 31 -0.560 8.747 -6.605 249 1HD ARG 31 HD2 ARG 31 -0.652 6.703 -8.086 250 2HD ARG 31 HD1 ARG 31 -2.368 7.027 -8.309 251 HE ARG 31 HE ARG 31 -1.781 9.048 -9.473 252 1HH1 ARG 31 HH11 ARG 31 0.972 9.179 -7.967 253 2HH1 ARG 31 HH12 ARG 31 2.054 8.975 -9.304 254 1HH2 ARG 31 HH21 ARG 31 -0.416 7.861 -11.472 255 2HH2 ARG 31 HH22 ARG 31 1.268 8.228 -11.290 256 H VAL 32 HN VAL 32 -0.060 6.608 -2.957 257 HA VAL 32 HA VAL 32 -1.590 4.453 -1.915 258 HB VAL 32 HB VAL 32 1.033 5.658 -0.992 259 1HG1 VAL 32 HG11 VAL 32 -0.167 2.960 -0.302 260 2HG1 VAL 32 HG12 VAL 32 -0.184 4.351 0.782 261 3HG1 VAL 32 HG13 VAL 32 1.350 3.630 0.298 262 1HG2 VAL 32 HG21 VAL 32 0.766 3.007 -2.345 263 2HG2 VAL 32 HG22 VAL 32 2.074 4.187 -2.439 264 3HG2 VAL 32 HG23 VAL 32 0.581 4.451 -3.341 265 H LYS 33 HN LYS 33 -0.355 7.441 -0.407 266 HA LYS 33 HA LYS 33 -1.650 7.106 2.070 267 1HB LYS 33 HB2 LYS 33 -0.662 9.557 0.618 268 2HB LYS 33 HB1 LYS 33 -1.312 9.599 2.254 269 1HG LYS 33 HG2 LYS 33 0.379 7.856 2.902 270 2HG LYS 33 HG1 LYS 33 1.090 8.025 1.296 271 1HD LYS 33 HD2 LYS 33 1.489 10.419 1.714 272 2HD LYS 33 HD1 LYS 33 0.774 10.257 3.319 273 1HE LYS 33 HE2 LYS 33 3.073 8.500 2.486 274 2HE LYS 33 HE1 LYS 33 3.364 10.123 3.113 275 1HZ LYS 33 HZ1 LYS 33 1.476 8.605 4.660 276 2HZ LYS 33 HZ2 LYS 33 2.826 9.501 5.169 277 3HZ LYS 33 HZ3 LYS 33 3.020 7.906 4.619 278 H ASN 34 HN ASN 34 -2.639 8.727 -0.915 279 HA ASN 34 HA ASN 34 -4.995 9.915 0.043 280 1HB ASN 34 HB2 ASN 34 -4.279 8.904 -2.715 281 2HB ASN 34 HB1 ASN 34 -5.668 9.921 -2.355 282 1HD2 ASN 34 HD21 ASN 34 -2.959 10.396 -3.870 283 2HD2 ASN 34 HD22 ASN 34 -2.402 11.858 -3.207 284 H ILE 35 HN ILE 35 -4.423 6.739 -1.440 285 HA ILE 35 HA ILE 35 -7.147 5.907 -1.392 286 HB ILE 35 HB ILE 35 -4.573 4.340 -1.516 287 1HG1 ILE 35 HG12 ILE 35 -6.612 4.886 -3.686 288 2HG1 ILE 35 HG11 ILE 35 -5.230 5.942 -3.407 289 1HG2 ILE 35 HG21 ILE 35 -6.179 2.800 -0.699 290 2HG2 ILE 35 HG22 ILE 35 -6.179 2.551 -2.444 291 3HG2 ILE 35 HG23 ILE 35 -7.464 3.492 -1.688 292 1HD1 ILE 35 HD11 ILE 35 -3.695 4.056 -3.763 293 2HD1 ILE 35 HD12 ILE 35 -4.752 4.254 -5.161 294 3HD1 ILE 35 HD13 ILE 35 -5.066 2.970 -3.992 295 H LEU 36 HN LEU 36 -4.385 5.179 0.758 296 HA LEU 36 HA LEU 36 -5.806 3.554 2.565 297 1HB LEU 36 HB2 LEU 36 -3.422 5.355 3.068 298 2HB LEU 36 HB1 LEU 36 -3.981 4.084 4.154 299 HG LEU 36 HG LEU 36 -3.181 3.591 1.273 300 1HD1 LEU 36 HD11 LEU 36 -1.578 3.012 3.778 301 2HD1 LEU 36 HD12 LEU 36 -1.298 4.416 2.747 302 3HD1 LEU 36 HD13 LEU 36 -1.063 2.790 2.107 303 1HD2 LEU 36 HD21 LEU 36 -2.960 1.220 2.311 304 2HD2 LEU 36 HD22 LEU 36 -4.583 1.826 1.984 305 3HD2 LEU 36 HD23 LEU 36 -3.943 1.863 3.627 306 H ALA 37 HN ALA 37 -5.201 7.039 2.508 307 HA ALA 37 HA ALA 37 -6.622 7.592 4.927 308 1HB ALA 37 HB1 ALA 37 -6.267 9.883 4.414 309 2HB ALA 37 HB2 ALA 37 -6.094 9.549 2.691 310 3HB ALA 37 HB3 ALA 37 -4.833 9.047 3.817 311 H ALA 38 HN ALA 38 -7.592 6.728 1.812 312 HA ALA 38 HA ALA 38 -10.059 8.252 1.812 313 1HB ALA 38 HB1 ALA 38 -9.098 6.059 -0.039 314 2HB ALA 38 HB2 ALA 38 -8.944 7.791 -0.320 315 3HB ALA 38 HB3 ALA 38 -10.539 7.042 -0.282 316 H VAL 39 HN VAL 39 -9.194 5.932 3.759 317 HA VAL 39 HA VAL 39 -11.887 4.861 3.936 318 HB VAL 39 HB VAL 39 -10.914 3.211 2.500 319 1HG1 VAL 39 HG11 VAL 39 -8.637 3.148 4.505 320 2HG1 VAL 39 HG12 VAL 39 -8.554 3.784 2.862 321 3HG1 VAL 39 HG13 VAL 39 -8.803 2.059 3.128 322 1HG2 VAL 39 HG21 VAL 39 -12.241 2.443 4.519 323 2HG2 VAL 39 HG22 VAL 39 -10.705 2.141 5.329 324 3HG2 VAL 39 HG23 VAL 39 -11.128 1.237 3.874 325 H GLU 40 HN GLU 40 -8.650 5.159 5.267 326 HA GLU 40 HA GLU 40 -7.860 4.841 7.432 327 1HB GLU 40 HB2 GLU 40 -10.370 6.463 7.926 328 2HB GLU 40 HB1 GLU 40 -8.982 6.350 9.010 329 1HG GLU 40 HG2 GLU 40 -7.538 7.272 7.202 330 2HG GLU 40 HG1 GLU 40 -8.967 7.468 6.192 331 H ALA 41 HN ALA 41 -11.137 5.077 8.605 332 HA ALA 41 HA ALA 41 -12.592 3.454 9.437 333 1HB ALA 41 HB1 ALA 41 -12.271 1.204 9.030 334 2HB ALA 41 HB2 ALA 41 -10.523 1.304 9.249 335 3HB ALA 41 HB3 ALA 41 -11.262 1.896 7.760 336 H THR 42 HN THR 42 -12.304 1.602 11.301 337 HA THR 42 HA THR 42 -11.242 3.054 13.538 338 HB THR 42 HB THR 42 -11.989 1.113 14.861 339 HG1 THR 42 HG1 THR 42 -11.485 -0.227 12.780 340 1HG2 THR 42 HG21 THR 42 -14.379 1.127 13.390 341 2HG2 THR 42 HG22 THR 42 -13.630 2.689 13.065 342 3HG2 THR 42 HG23 THR 42 -13.955 2.196 14.726 343 H VAL 43 HN VAL 43 -9.819 1.112 11.236 344 HA VAL 43 HA VAL 43 -7.577 0.459 13.039 345 HB VAL 43 HB VAL 43 -7.168 -1.379 11.249 346 1HG1 VAL 43 HG11 VAL 43 -8.948 -1.270 13.588 347 2HG1 VAL 43 HG12 VAL 43 -7.672 -2.426 13.202 348 3HG1 VAL 43 HG13 VAL 43 -9.279 -2.620 12.502 349 1HG2 VAL 43 HG21 VAL 43 -9.321 -2.220 10.283 350 2HG2 VAL 43 HG22 VAL 43 -8.832 -0.656 9.633 351 3HG2 VAL 43 HG23 VAL 43 -10.103 -0.744 10.853 352 HA PRO 44 HA PRO 44 -6.063 3.397 9.864 353 1HB PRO 44 HB2 PRO 44 -3.986 4.128 11.717 354 2HB PRO 44 HB1 PRO 44 -5.365 5.096 11.175 355 1HG PRO 44 HG2 PRO 44 -4.967 3.980 13.717 356 2HG PRO 44 HG1 PRO 44 -6.427 4.767 13.108 357 1HD PRO 44 HD2 PRO 44 -5.933 1.921 13.577 358 2HD PRO 44 HD1 PRO 44 -7.469 2.755 13.273 359 H ILE 45 HN ILE 45 -4.307 3.226 8.489 360 HA ILE 45 HA ILE 45 -2.573 0.887 8.932 361 HB ILE 45 HB ILE 45 -2.933 2.471 6.386 362 1HG1 ILE 45 HG12 ILE 45 -4.253 0.120 5.983 363 2HG1 ILE 45 HG11 ILE 45 -4.627 0.415 7.682 364 1HG2 ILE 45 HG21 ILE 45 -1.349 1.078 5.582 365 2HG2 ILE 45 HG22 ILE 45 -2.287 -0.324 6.098 366 3HG2 ILE 45 HG23 ILE 45 -1.135 0.422 7.208 367 1HD1 ILE 45 HD11 ILE 45 -5.062 2.891 6.732 368 2HD1 ILE 45 HD12 ILE 45 -6.322 1.657 6.742 369 3HD1 ILE 45 HD13 ILE 45 -5.411 1.975 5.266 370 H SER 46 HN SER 46 -0.371 1.066 8.998 371 HA SER 46 HA SER 46 0.699 3.806 9.153 372 1HB SER 46 HB2 SER 46 1.159 2.436 11.107 373 2HB SER 46 HB1 SER 46 1.814 1.152 10.094 374 HG SER 46 HG SER 46 3.055 3.283 11.093 375 H LEU 47 HN LEU 47 1.560 4.542 7.314 376 HA LEU 47 HA LEU 47 2.680 2.616 5.399 377 1HB LEU 47 HB2 LEU 47 0.949 4.469 4.817 378 2HB LEU 47 HB1 LEU 47 2.326 5.562 4.898 379 HG LEU 47 HG LEU 47 1.824 3.295 2.977 380 1HD1 LEU 47 HD11 LEU 47 2.619 6.206 2.777 381 2HD1 LEU 47 HD12 LEU 47 1.128 5.452 2.210 382 3HD1 LEU 47 HD13 LEU 47 2.655 5.109 1.396 383 1HD2 LEU 47 HD21 LEU 47 4.508 4.537 3.663 384 2HD2 LEU 47 HD22 LEU 47 4.198 3.605 2.202 385 3HD2 LEU 47 HD23 LEU 47 4.071 2.831 3.776 386 H GLN 48 HN GLN 48 4.806 2.286 5.452 387 HA GLN 48 HA GLN 48 6.560 4.519 6.245 388 1HB GLN 48 HB2 GLN 48 6.678 1.586 6.836 389 2HB GLN 48 HB1 GLN 48 8.166 2.522 6.759 390 1HG GLN 48 HG2 GLN 48 7.144 4.138 8.396 391 2HG GLN 48 HG1 GLN 48 5.783 3.029 8.555 392 1HE2 GLN 48 HE21 GLN 48 6.020 1.349 10.067 393 2HE2 GLN 48 HE22 GLN 48 7.491 0.924 10.800 394 H VAL 49 HN VAL 49 8.286 4.964 4.950 395 HA VAL 49 HA VAL 49 8.296 3.658 2.314 396 HB VAL 49 HB VAL 49 9.713 6.206 3.093 397 1HG1 VAL 49 HG11 VAL 49 9.471 6.592 0.608 398 2HG1 VAL 49 HG12 VAL 49 8.889 4.932 0.474 399 3HG1 VAL 49 HG13 VAL 49 10.529 5.247 1.043 400 1HG2 VAL 49 HG21 VAL 49 7.793 7.445 2.385 401 2HG2 VAL 49 HG22 VAL 49 7.176 6.215 3.489 402 3HG2 VAL 49 HG23 VAL 49 7.007 6.001 1.747 403 H ILE 50 HN ILE 50 10.043 2.602 1.530 404 HA ILE 50 HA ILE 50 12.434 2.519 3.264 405 HB ILE 50 HB ILE 50 11.478 0.326 1.416 406 1HG1 ILE 50 HG12 ILE 50 11.052 0.717 4.394 407 2HG1 ILE 50 HG11 ILE 50 9.801 0.643 3.157 408 1HG2 ILE 50 HG21 ILE 50 13.204 -0.950 2.322 409 2HG2 ILE 50 HG22 ILE 50 13.284 0.020 3.793 410 3HG2 ILE 50 HG23 ILE 50 13.947 0.650 2.285 411 1HD1 ILE 50 HD11 ILE 50 9.749 -1.600 3.280 412 2HD1 ILE 50 HD12 ILE 50 10.904 -1.523 4.609 413 3HD1 ILE 50 HD13 ILE 50 11.479 -1.691 2.950 414 H ASN 51 HN ASN 51 14.144 3.457 2.327 415 HA ASN 51 HA ASN 51 14.098 4.017 -0.512 416 1HB ASN 51 HB2 ASN 51 15.928 4.745 1.764 417 2HB ASN 51 HB1 ASN 51 16.407 5.028 0.094 418 1HD2 ASN 51 HD21 ASN 51 14.318 6.044 -1.207 419 2HD2 ASN 51 HD22 ASN 51 13.632 7.380 -0.418 420 H VAL 52 HN VAL 52 14.645 2.421 -1.862 421 HA VAL 52 HA VAL 52 16.039 0.094 -1.214 422 HB VAL 52 HB VAL 52 16.374 -0.133 -3.695 423 1HG1 VAL 52 HG11 VAL 52 13.683 0.393 -3.977 424 2HG1 VAL 52 HG12 VAL 52 13.851 0.231 -2.228 425 3HG1 VAL 52 HG13 VAL 52 14.356 -1.086 -3.287 426 1HG2 VAL 52 HG21 VAL 52 16.388 1.755 -4.928 427 2HG2 VAL 52 HG22 VAL 52 15.903 2.711 -3.527 428 3HG2 VAL 52 HG23 VAL 52 14.678 1.970 -4.555 429 H ALA 53 HN ALA 53 17.241 3.227 -2.226 430 HA ALA 53 HA ALA 53 19.897 2.359 -2.811 431 1HB ALA 53 HB1 ALA 53 19.287 4.401 -3.809 432 2HB ALA 53 HB2 ALA 53 20.372 4.874 -2.502 433 3HB ALA 53 HB3 ALA 53 18.627 5.041 -2.304 434 H ASP 54 HN ASP 54 18.168 3.056 0.094 435 HA ASP 54 HA ASP 54 20.630 3.435 1.611 436 1HB ASP 54 HB2 ASP 54 17.730 3.568 2.448 437 2HB ASP 54 HB1 ASP 54 19.098 3.865 3.518 438 H GLN 55 HN GLN 55 18.334 0.948 0.873 439 HA GLN 55 HA GLN 55 19.872 -0.924 2.482 440 1HB GLN 55 HB2 GLN 55 17.911 -1.739 3.727 441 2HB GLN 55 HB1 GLN 55 18.268 -0.052 4.102 442 1HG GLN 55 HG2 GLN 55 16.581 0.195 1.948 443 2HG GLN 55 HG1 GLN 55 15.915 -1.212 2.775 444 1HE2 GLN 55 HE21 GLN 55 15.555 2.070 2.664 445 2HE2 GLN 55 HE22 GLN 55 15.059 2.359 4.262 446 HA PRO 56 HA PRO 56 18.143 -2.768 -1.384 447 1HB PRO 56 HB2 PRO 56 20.789 -3.741 -1.955 448 2HB PRO 56 HB1 PRO 56 19.858 -2.523 -2.842 449 1HG PRO 56 HG2 PRO 56 22.150 -2.046 -1.372 450 2HG PRO 56 HG1 PRO 56 20.971 -0.826 -1.872 451 1HD PRO 56 HD2 PRO 56 21.353 -2.088 0.800 452 2HD PRO 56 HD1 PRO 56 20.737 -0.472 0.388 453 H GLN 57 HN GLN 57 19.664 -3.821 1.423 454 HA GLN 57 HA GLN 57 20.024 -6.583 0.879 455 1HB GLN 57 HB2 GLN 57 21.182 -5.566 2.721 456 2HB GLN 57 HB1 GLN 57 19.663 -5.069 3.467 457 1HG GLN 57 HG2 GLN 57 19.019 -7.430 3.747 458 2HG GLN 57 HG1 GLN 57 20.532 -7.937 2.994 459 1HE2 GLN 57 HE21 GLN 57 20.010 -8.800 5.609 460 2HE2 GLN 57 HE22 GLN 57 21.032 -7.986 6.692 461 H LEU 58 HN LEU 58 17.375 -4.880 2.609 462 HA LEU 58 HA LEU 58 15.910 -7.323 2.872 463 1HB LEU 58 HB2 LEU 58 14.030 -5.744 3.604 464 2HB LEU 58 HB1 LEU 58 15.465 -5.825 4.612 465 HG LEU 58 HG LEU 58 16.240 -3.798 3.074 466 1HD1 LEU 58 HD11 LEU 58 14.640 -2.760 1.882 467 2HD1 LEU 58 HD12 LEU 58 13.435 -2.971 3.154 468 3HD1 LEU 58 HD13 LEU 58 13.757 -4.281 2.016 469 1HD2 LEU 58 HD21 LEU 58 14.832 -2.313 4.734 470 2HD2 LEU 58 HD22 LEU 58 16.112 -3.353 5.358 471 3HD2 LEU 58 HD23 LEU 58 14.428 -3.868 5.462 472 H VAL 59 HN VAL 59 16.173 -4.872 0.451 473 HA VAL 59 HA VAL 59 13.670 -5.203 -0.851 474 HB VAL 59 HB VAL 59 16.336 -4.622 -2.164 475 1HG1 VAL 59 HG11 VAL 59 14.468 -5.110 -3.694 476 2HG1 VAL 59 HG12 VAL 59 14.912 -3.407 -3.780 477 3HG1 VAL 59 HG13 VAL 59 13.480 -3.902 -2.877 478 1HG2 VAL 59 HG21 VAL 59 15.730 -3.165 -0.132 479 2HG2 VAL 59 HG22 VAL 59 14.379 -2.585 -1.102 480 3HG2 VAL 59 HG23 VAL 59 16.027 -2.319 -1.649 481 H GLU 60 HN GLU 60 16.834 -6.785 -1.287 482 HA GLU 60 HA GLU 60 15.903 -8.617 -3.287 483 1HB GLU 60 HB2 GLU 60 18.323 -8.715 -1.462 484 2HB GLU 60 HB1 GLU 60 18.037 -9.811 -2.815 485 1HG GLU 60 HG2 GLU 60 17.948 -7.848 -4.346 486 2HG GLU 60 HG1 GLU 60 18.330 -6.797 -2.985 487 H TYR 61 HN TYR 61 16.111 -8.641 0.224 488 HA TYR 61 HA TYR 61 15.709 -11.360 0.731 489 1HB TYR 61 HB2 TYR 61 16.227 -9.705 2.491 490 2HB TYR 61 HB1 TYR 61 14.625 -8.997 2.285 491 HD1 TYR 61 HD1 TYR 61 12.671 -10.024 3.207 492 HD2 TYR 61 HD2 TYR 61 16.453 -12.058 3.329 493 HE1 TYR 61 HE1 TYR 61 11.717 -11.704 4.762 494 HE2 TYR 61 HE2 TYR 61 15.500 -13.736 4.885 495 HH TYR 61 HH TYR 61 12.254 -14.161 5.368 496 H TYR 62 HN TYR 62 13.417 -8.771 0.040 497 HA TYR 62 HA TYR 62 11.126 -10.551 0.181 498 1HB TYR 62 HB2 TYR 62 11.445 -7.651 -0.624 499 2HB TYR 62 HB1 TYR 62 9.903 -8.495 -0.566 500 HD1 TYR 62 HD1 TYR 62 11.926 -6.337 1.205 501 HD2 TYR 62 HD2 TYR 62 9.662 -9.942 1.763 502 HE1 TYR 62 HE1 TYR 62 11.779 -5.867 3.632 503 HE2 TYR 62 HE2 TYR 62 9.514 -9.474 4.193 504 HH TYR 62 HH TYR 62 9.729 -7.742 5.750 505 H ARG 63 HN ARG 63 13.497 -10.635 -1.838 506 HA ARG 63 HA ARG 63 13.797 -11.141 -4.058 507 1HB ARG 63 HB2 ARG 63 10.835 -11.762 -3.864 508 2HB ARG 63 HB1 ARG 63 11.872 -12.211 -5.218 509 1HG ARG 63 HG2 ARG 63 12.475 -13.047 -2.374 510 2HG ARG 63 HG1 ARG 63 11.477 -14.021 -3.451 511 1HD ARG 63 HD2 ARG 63 13.379 -13.976 -5.111 512 2HD ARG 63 HD1 ARG 63 14.367 -13.217 -3.869 513 HE ARG 63 HE ARG 63 13.855 -15.293 -2.505 514 1HH1 ARG 63 HH21 ARG 63 12.738 -15.663 -5.664 515 2HH1 ARG 63 HH22 ARG 63 13.559 -17.157 -5.971 516 1HH2 ARG 63 HH11 ARG 63 15.388 -17.061 -3.027 517 2HH2 ARG 63 HH12 ARG 63 15.059 -17.950 -4.475 518 H LEU 64 HN LEU 64 12.283 -8.597 -2.913 519 HA LEU 64 HA LEU 64 10.905 -7.402 -5.061 520 1HB LEU 64 HB2 LEU 64 11.070 -6.743 -2.550 521 2HB LEU 64 HB1 LEU 64 12.520 -5.875 -3.031 522 HG LEU 64 HG LEU 64 10.520 -4.429 -3.029 523 1HD1 LEU 64 HD11 LEU 64 11.148 -3.302 -4.940 524 2HD1 LEU 64 HD12 LEU 64 11.229 -4.774 -5.910 525 3HD1 LEU 64 HD13 LEU 64 12.518 -4.397 -4.767 526 1HD2 LEU 64 HD21 LEU 64 8.594 -4.936 -4.154 527 2HD2 LEU 64 HD22 LEU 64 9.176 -6.589 -3.959 528 3HD2 LEU 64 HD23 LEU 64 9.453 -5.729 -5.475 529 H VAL 65 HN VAL 65 11.643 -6.522 -6.905 530 HA VAL 65 HA VAL 65 14.452 -5.675 -7.091 531 HB VAL 65 HB VAL 65 13.451 -7.129 -9.454 532 1HG1 VAL 65 HG11 VAL 65 15.999 -7.723 -8.018 533 2HG1 VAL 65 HG12 VAL 65 15.824 -6.126 -8.744 534 3HG1 VAL 65 HG13 VAL 65 15.694 -7.569 -9.749 535 1HG2 VAL 65 HG21 VAL 65 14.065 -9.337 -8.364 536 2HG2 VAL 65 HG22 VAL 65 12.552 -8.631 -7.799 537 3HG2 VAL 65 HG23 VAL 65 14.008 -8.505 -6.811 538 H VAL 66 HN VAL 66 11.169 -5.201 -7.862 539 HA VAL 66 HA VAL 66 11.849 -3.249 -9.960 540 HB VAL 66 HB VAL 66 9.344 -3.323 -10.369 541 1HG1 VAL 66 HG11 VAL 66 9.903 -6.036 -10.987 542 2HG1 VAL 66 HG12 VAL 66 11.427 -5.156 -11.106 543 3HG1 VAL 66 HG13 VAL 66 10.033 -4.638 -12.054 544 1HG2 VAL 66 HG21 VAL 66 8.044 -5.024 -9.389 545 2HG2 VAL 66 HG22 VAL 66 9.005 -4.404 -8.045 546 3HG2 VAL 66 HG23 VAL 66 9.466 -5.911 -8.838 547 H THR 67 HN THR 67 11.286 -1.129 -9.734 548 HA THR 67 HA THR 67 9.848 -0.368 -7.290 549 HB THR 67 HB THR 67 11.446 1.559 -7.023 550 HG1 THR 67 HG1 THR 67 13.344 0.162 -8.471 551 1HG2 THR 67 HG21 THR 67 11.993 0.012 -5.438 552 2HG2 THR 67 HG22 THR 67 13.420 -0.217 -6.449 553 3HG2 THR 67 HG23 THR 67 12.046 -1.312 -6.602 554 HA PRO 68 HA PRO 68 9.298 1.594 -6.411 555 1HB PRO 68 HB2 PRO 68 6.584 2.561 -6.476 556 2HB PRO 68 HB1 PRO 68 8.052 3.451 -6.043 557 1HG PRO 68 HG2 PRO 68 6.515 3.896 -8.286 558 2HG PRO 68 HG1 PRO 68 8.191 4.418 -8.069 559 1HD PRO 68 HD2 PRO 68 7.117 2.111 -9.631 560 2HD PRO 68 HD1 PRO 68 8.552 3.112 -9.937 561 H ALA 69 HN ALA 69 8.041 0.454 -4.797 562 HA ALA 69 HA ALA 69 5.989 -1.387 -5.761 563 1HB ALA 69 HB1 ALA 69 7.205 -3.328 -4.719 564 2HB ALA 69 HB2 ALA 69 8.625 -2.289 -4.578 565 3HB ALA 69 HB3 ALA 69 7.978 -2.685 -6.169 566 H LEU 70 HN LEU 70 4.625 -2.099 -4.112 567 HA LEU 70 HA LEU 70 5.171 -0.972 -1.441 568 1HB LEU 70 HB2 LEU 70 3.264 0.058 -2.813 569 2HB LEU 70 HB1 LEU 70 2.415 -1.461 -2.548 570 HG LEU 70 HG LEU 70 3.611 0.132 -0.280 571 1HD1 LEU 70 HD11 LEU 70 1.432 0.905 -1.925 572 2HD1 LEU 70 HD12 LEU 70 1.929 1.621 -0.392 573 3HD1 LEU 70 HD13 LEU 70 0.739 0.319 -0.413 574 1HD2 LEU 70 HD21 LEU 70 3.090 -1.881 0.670 575 2HD2 LEU 70 HD22 LEU 70 1.949 -2.306 -0.606 576 3HD2 LEU 70 HD23 LEU 70 1.463 -1.212 0.682 577 H VAL 71 HN VAL 71 5.159 -2.368 0.250 578 HA VAL 71 HA VAL 71 4.124 -5.080 -0.294 579 HB VAL 71 HB VAL 71 6.572 -4.349 1.317 580 1HG1 VAL 71 HG11 VAL 71 4.969 -6.814 0.963 581 2HG1 VAL 71 HG12 VAL 71 6.038 -6.344 2.285 582 3HG1 VAL 71 HG13 VAL 71 6.713 -7.019 0.803 583 1HG2 VAL 71 HG21 VAL 71 6.172 -5.448 -1.474 584 2HG2 VAL 71 HG22 VAL 71 7.678 -5.685 -0.589 585 3HG2 VAL 71 HG23 VAL 71 7.134 -4.055 -0.981 586 H LYS 72 HN LYS 72 2.697 -5.870 1.055 587 HA LYS 72 HA LYS 72 2.105 -4.453 3.562 588 1HB LYS 72 HB2 LYS 72 0.265 -5.072 1.936 589 2HB LYS 72 HB1 LYS 72 0.599 -6.764 2.308 590 1HG LYS 72 HG2 LYS 72 0.413 -5.787 4.820 591 2HG LYS 72 HG1 LYS 72 -0.673 -4.670 3.992 592 1HD LYS 72 HD2 LYS 72 -1.698 -6.804 2.920 593 2HD LYS 72 HD1 LYS 72 -0.870 -7.664 4.220 594 1HE LYS 72 HE2 LYS 72 -2.602 -5.284 4.843 595 2HE LYS 72 HE1 LYS 72 -3.322 -6.879 4.623 596 1HZ LYS 72 HZ1 LYS 72 -2.047 -5.879 6.886 597 2HZ LYS 72 HZ2 LYS 72 -1.053 -7.107 6.263 598 3HZ LYS 72 HZ3 LYS 72 -2.675 -7.437 6.649 599 H ILE 73 HN ILE 73 2.654 -5.306 5.520 600 HA ILE 73 HA ILE 73 3.881 -7.988 5.464 601 HB ILE 73 HB ILE 73 4.636 -7.063 7.858 602 1HG1 ILE 73 HG12 ILE 73 3.240 -4.940 7.159 603 2HG1 ILE 73 HG11 ILE 73 4.777 -4.744 7.996 604 1HG2 ILE 73 HG21 ILE 73 6.629 -6.023 6.527 605 2HG2 ILE 73 HG22 ILE 73 5.771 -6.615 5.105 606 3HG2 ILE 73 HG23 ILE 73 6.302 -7.746 6.350 607 1HD1 ILE 73 HD11 ILE 73 4.816 -4.909 5.008 608 2HD1 ILE 73 HD12 ILE 73 5.872 -4.004 6.095 609 3HD1 ILE 73 HD13 ILE 73 4.248 -3.411 5.746 610 H GLY 74 HN GLY 74 1.183 -6.218 6.757 611 1HA GLY 74 HA2 GLY 74 -0.469 -8.150 7.438 612 2HA GLY 74 HA1 GLY 74 0.675 -8.299 8.765 613 HA PRO 75 HA PRO 75 -0.756 -8.788 10.342 614 1HB PRO 75 HB2 PRO 75 -3.580 -8.732 10.870 615 2HB PRO 75 HB1 PRO 75 -2.247 -8.763 12.029 616 1HG PRO 75 HG2 PRO 75 -3.972 -6.612 11.436 617 2HG PRO 75 HG1 PRO 75 -2.570 -6.615 12.510 618 1HD PRO 75 HD2 PRO 75 -2.837 -5.383 9.899 619 2HD PRO 75 HD1 PRO 75 -1.493 -5.262 11.050 620 H GLY 76 HN GLY 76 -1.609 -10.778 9.552 621 1HA GLY 76 HA2 GLY 76 -3.095 -12.028 8.118 622 2HA GLY 76 HA1 GLY 76 -3.282 -10.584 7.128 623 H SER 77 HN SER 77 -2.730 -12.478 5.538 624 HA SER 77 HA SER 77 -0.109 -13.466 5.332 625 1HB SER 77 HB2 SER 77 -1.637 -14.571 3.981 626 2HB SER 77 HB1 SER 77 -2.340 -13.077 3.366 627 HG SER 77 HG SER 77 0.208 -14.196 2.795 628 H ARG 78 HN ARG 78 1.545 -12.925 3.821 629 HA ARG 78 HA ARG 78 1.956 -10.034 3.645 630 1HB ARG 78 HB2 ARG 78 3.778 -11.377 4.539 631 2HB ARG 78 HB1 ARG 78 3.801 -12.366 3.079 632 1HG ARG 78 HG2 ARG 78 4.573 -10.560 1.739 633 2HG ARG 78 HG1 ARG 78 4.187 -9.371 2.984 634 1HD ARG 78 HD2 ARG 78 6.635 -9.896 2.838 635 2HD ARG 78 HD1 ARG 78 5.940 -10.221 4.423 636 HE ARG 78 HE ARG 78 6.660 -12.273 2.422 637 1HH1 ARG 78 HH11 ARG 78 7.783 -11.570 5.318 638 2HH1 ARG 78 HH12 ARG 78 7.243 -12.978 6.171 639 1HH2 ARG 78 HH21 ARG 78 5.079 -13.993 3.661 640 2HH2 ARG 78 HH22 ARG 78 5.710 -14.346 5.235 641 H GLN 79 HN GLN 79 2.078 -8.892 1.773 642 HA GLN 79 HA GLN 79 1.942 -10.339 -0.783 643 1HB GLN 79 HB2 GLN 79 0.032 -8.134 0.026 644 2HB GLN 79 HB1 GLN 79 0.103 -8.910 -1.557 645 1HG GLN 79 HG2 GLN 79 -0.356 -11.105 -0.443 646 2HG GLN 79 HG1 GLN 79 -0.569 -10.242 1.080 647 1HE2 GLN 79 HE21 GLN 79 -2.324 -11.516 -1.442 648 2HE2 GLN 79 HE22 GLN 79 -3.690 -10.511 -1.362 649 H VAL 80 HN VAL 80 2.526 -9.031 -2.619 650 HA VAL 80 HA VAL 80 3.947 -6.538 -1.916 651 HB VAL 80 HB VAL 80 4.946 -8.719 -3.759 652 1HG1 VAL 80 HG11 VAL 80 5.552 -5.897 -3.534 653 2HG1 VAL 80 HG12 VAL 80 6.184 -7.079 -4.680 654 3HG1 VAL 80 HG13 VAL 80 6.969 -6.862 -3.116 655 1HG2 VAL 80 HG21 VAL 80 5.319 -9.478 -1.552 656 2HG2 VAL 80 HG22 VAL 80 5.645 -7.852 -0.955 657 3HG2 VAL 80 HG23 VAL 80 6.829 -8.670 -1.973 658 H LEU 81 HN LEU 81 3.441 -4.856 -3.153 659 HA LEU 81 HA LEU 81 2.055 -5.350 -5.725 660 1HB LEU 81 HB2 LEU 81 1.936 -2.759 -4.206 661 2HB LEU 81 HB1 LEU 81 0.803 -3.395 -5.395 662 HG LEU 81 HG LEU 81 1.256 -4.505 -2.612 663 1HD1 LEU 81 HD11 LEU 81 -0.056 -2.639 -2.229 664 2HD1 LEU 81 HD12 LEU 81 -1.315 -3.806 -2.638 665 3HD1 LEU 81 HD13 LEU 81 -0.744 -2.662 -3.853 666 1HD2 LEU 81 HD21 LEU 81 0.688 -6.247 -4.274 667 2HD2 LEU 81 HD22 LEU 81 -0.708 -5.296 -4.781 668 3HD2 LEU 81 HD23 LEU 81 -0.644 -5.971 -3.154 669 H SER 82 HN SER 82 3.105 -4.623 -7.541 670 HA SER 82 HA SER 82 4.872 -2.346 -7.351 671 1HB SER 82 HB2 SER 82 6.372 -4.100 -6.595 672 2HB SER 82 HB1 SER 82 6.015 -5.055 -8.029 673 HG SER 82 HG SER 82 6.661 -2.751 -8.965 674 H GLY 83 HN GLY 83 5.950 -1.861 -9.394 675 1HA GLY 83 HA2 GLY 83 6.021 -1.781 -11.742 676 2HA GLY 83 HA1 GLY 83 4.735 -2.978 -11.802 677 H ILE 84 HN ILE 84 5.049 0.255 -10.367 678 HA ILE 84 HA ILE 84 3.542 1.996 -10.266 679 HB ILE 84 HB ILE 84 3.187 3.033 -12.378 680 1HG1 ILE 84 HG12 ILE 84 3.783 0.367 -13.698 681 2HG1 ILE 84 HG11 ILE 84 2.153 0.997 -13.467 682 1HG2 ILE 84 HG21 ILE 84 5.428 2.646 -13.492 683 2HG2 ILE 84 HG22 ILE 84 5.690 1.331 -12.346 684 3HG2 ILE 84 HG23 ILE 84 5.514 2.986 -11.764 685 1HD1 ILE 84 HD11 ILE 84 4.367 2.102 -15.187 686 2HD1 ILE 84 HD12 ILE 84 3.022 3.116 -14.670 687 3HD1 ILE 84 HD13 ILE 84 2.718 1.684 -15.652 688 H ASP 85 HN ASP 85 2.383 -0.990 -10.643 689 HA ASP 85 HA ASP 85 -0.373 -0.190 -11.289 690 1HB ASP 85 HB2 ASP 85 -0.844 -2.563 -11.446 691 2HB ASP 85 HB1 ASP 85 0.592 -2.201 -12.401 692 H LEU 86 HN LEU 86 1.452 0.014 -8.714 693 HA LEU 86 HA LEU 86 0.434 -1.418 -6.606 694 1HB LEU 86 HB2 LEU 86 1.116 1.530 -6.511 695 2HB LEU 86 HB1 LEU 86 1.179 0.375 -5.185 696 HG LEU 86 HG LEU 86 2.775 -0.921 -6.908 697 1HD1 LEU 86 HD11 LEU 86 3.681 0.348 -8.547 698 2HD1 LEU 86 HD12 LEU 86 3.938 1.705 -7.451 699 3HD1 LEU 86 HD13 LEU 86 2.381 1.500 -8.246 700 1HD2 LEU 86 HD21 LEU 86 3.788 -0.567 -4.890 701 2HD2 LEU 86 HD22 LEU 86 3.212 1.095 -4.774 702 3HD2 LEU 86 HD23 LEU 86 4.616 0.716 -5.772 703 H THR 87 HN THR 87 -0.869 1.594 -7.990 704 HA THR 87 HA THR 87 -2.972 1.867 -6.116 705 HB THR 87 HB THR 87 -3.879 3.519 -7.634 706 HG1 THR 87 HG1 THR 87 -3.330 1.996 -9.485 707 1HG2 THR 87 HG21 THR 87 -2.104 4.996 -7.539 708 2HG2 THR 87 HG22 THR 87 -0.950 3.809 -8.147 709 3HG2 THR 87 HG23 THR 87 -1.491 3.733 -6.470 710 H ASP 88 HN ASP 88 -2.775 0.214 -9.241 711 HA ASP 88 HA ASP 88 -5.566 -0.393 -9.368 712 1HB ASP 88 HB2 ASP 88 -3.186 -1.726 -10.691 713 2HB ASP 88 HB1 ASP 88 -4.872 -1.985 -11.124 714 H GLN 89 HN GLN 89 -2.662 -2.187 -8.424 715 HA GLN 89 HA GLN 89 -4.016 -4.558 -7.613 716 1HB GLN 89 HB2 GLN 89 -1.466 -4.028 -8.149 717 2HB GLN 89 HB1 GLN 89 -1.404 -3.775 -6.406 718 1HG GLN 89 HG2 GLN 89 -2.346 -6.003 -6.019 719 2HG GLN 89 HG1 GLN 89 -2.486 -6.260 -7.757 720 1HE2 GLN 89 HE21 GLN 89 0.222 -4.631 -7.906 721 2HE2 GLN 89 HE22 GLN 89 1.381 -5.829 -7.585 722 H LEU 90 HN LEU 90 -2.774 -1.716 -5.842 723 HA LEU 90 HA LEU 90 -3.348 -2.580 -3.250 724 1HB LEU 90 HB2 LEU 90 -2.050 -0.553 -3.712 725 2HB LEU 90 HB1 LEU 90 -3.493 0.233 -4.356 726 HG LEU 90 HG LEU 90 -4.602 -0.155 -2.122 727 1HD1 LEU 90 HD11 LEU 90 -3.566 -1.670 -0.803 728 2HD1 LEU 90 HD12 LEU 90 -2.430 -0.377 -0.416 729 3HD1 LEU 90 HD13 LEU 90 -2.051 -1.529 -1.695 730 1HD2 LEU 90 HD21 LEU 90 -3.259 1.950 -2.900 731 2HD2 LEU 90 HD22 LEU 90 -2.064 1.411 -1.719 732 3HD2 LEU 90 HD23 LEU 90 -3.703 1.802 -1.199 733 H ALA 91 HN ALA 91 -5.404 -0.746 -5.507 734 HA ALA 91 HA ALA 91 -7.636 -0.483 -3.828 735 1HB ALA 91 HB1 ALA 91 -8.149 0.761 -5.633 736 2HB ALA 91 HB2 ALA 91 -8.694 -0.741 -6.379 737 3HB ALA 91 HB3 ALA 91 -7.056 -0.157 -6.670 738 H ASN 92 HN ASN 92 -6.576 -3.103 -5.919 739 HA ASN 92 HA ASN 92 -8.978 -4.657 -5.558 740 1HB ASN 92 HB2 ASN 92 -6.263 -5.264 -6.733 741 2HB ASN 92 HB1 ASN 92 -7.579 -6.426 -6.679 742 1HD2 ASN 92 HD21 ASN 92 -9.462 -3.936 -7.041 743 2HD2 ASN 92 HD22 ASN 92 -9.408 -3.668 -8.717 744 H GLN 93 HN GLN 93 -5.716 -4.588 -4.235 745 HA GLN 93 HA GLN 93 -6.051 -6.970 -2.677 746 1HB GLN 93 HB2 GLN 93 -3.940 -4.816 -2.706 747 2HB GLN 93 HB1 GLN 93 -3.860 -6.250 -1.686 748 1HG GLN 93 HG2 GLN 93 -4.108 -6.276 -4.705 749 2HG GLN 93 HG1 GLN 93 -2.622 -6.571 -3.810 750 1HE2 GLN 93 HE21 GLN 93 -4.958 -8.231 -5.399 751 2HE2 GLN 93 HE22 GLN 93 -4.978 -9.659 -4.487 752 H LEU 94 HN LEU 94 -6.343 -3.508 -2.072 753 HA LEU 94 HA LEU 94 -6.288 -3.477 0.694 754 1HB LEU 94 HB2 LEU 94 -6.377 -1.393 -0.368 755 2HB LEU 94 HB1 LEU 94 -7.805 -1.817 -1.300 756 HG LEU 94 HG LEU 94 -9.173 -1.839 0.726 757 1HD1 LEU 94 HD11 LEU 94 -7.920 -0.906 2.837 758 2HD1 LEU 94 HD12 LEU 94 -6.480 -1.521 2.024 759 3HD1 LEU 94 HD13 LEU 94 -7.793 -2.620 2.443 760 1HD2 LEU 94 HD21 LEU 94 -8.586 0.350 -0.486 761 2HD2 LEU 94 HD22 LEU 94 -7.461 0.654 0.840 762 3HD2 LEU 94 HD23 LEU 94 -9.189 0.508 1.164 763 HA PRO 95 HA PRO 95 -11.175 -4.248 0.699 764 1HB PRO 95 HB2 PRO 95 -11.576 -6.072 -1.486 765 2HB PRO 95 HB1 PRO 95 -12.320 -4.484 -1.244 766 1HG PRO 95 HG2 PRO 95 -10.091 -5.255 -2.963 767 2HG PRO 95 HG1 PRO 95 -11.124 -3.822 -3.028 768 1HD PRO 95 HD2 PRO 95 -8.503 -3.743 -2.257 769 2HD PRO 95 HD1 PRO 95 -9.728 -2.590 -1.685 770 H GLN 96 HN GLN 96 -9.060 -6.667 -0.841 771 HA GLN 96 HA GLN 96 -10.036 -8.938 0.506 772 1HB GLN 96 HB2 GLN 96 -7.287 -8.382 -0.636 773 2HB GLN 96 HB1 GLN 96 -7.863 -9.972 -0.130 774 1HG GLN 96 HG2 GLN 96 -9.717 -9.817 -1.745 775 2HG GLN 96 HG1 GLN 96 -9.144 -8.228 -2.249 776 1HE2 GLN 96 HE21 GLN 96 -9.320 -10.804 -3.845 777 2HE2 GLN 96 HE22 GLN 96 -7.744 -11.064 -4.422 778 H TRP 97 HN TRP 97 -7.673 -6.513 1.398 779 HA TRP 97 HA TRP 97 -6.516 -7.893 3.589 780 1HB TRP 97 HB2 TRP 97 -6.820 -4.908 3.182 781 2HB TRP 97 HB1 TRP 97 -5.701 -5.699 4.293 782 HD1 TRP 97 HD1 TRP 97 -5.672 -7.923 1.522 783 HE1 TRP 97 HE1 TRP 97 -3.758 -7.423 -0.137 784 HE3 TRP 97 HE3 TRP 97 -4.408 -3.209 3.028 785 HZ2 TRP 97 HZ2 TRP 97 -1.939 -5.305 -0.742 786 HZ3 TRP 97 HZ3 TRP 97 -2.584 -1.974 1.893 787 HH2 TRP 97 HH2 TRP 97 -1.348 -3.015 0.011 788 H LEU 98 HN LEU 98 -9.554 -6.341 3.157 789 HA LEU 98 HA LEU 98 -10.050 -6.078 6.028 790 1HB LEU 98 HB2 LEU 98 -11.796 -5.477 3.628 791 2HB LEU 98 HB1 LEU 98 -12.179 -5.091 5.302 792 HG LEU 98 HG LEU 98 -9.816 -4.030 3.734 793 1HD1 LEU 98 HD11 LEU 98 -11.938 -2.308 4.936 794 2HD1 LEU 98 HD12 LEU 98 -12.345 -3.200 3.468 795 3HD1 LEU 98 HD13 LEU 98 -10.993 -2.067 3.465 796 1HD2 LEU 98 HD21 LEU 98 -9.886 -2.509 5.934 797 2HD2 LEU 98 HD22 LEU 98 -8.986 -4.026 5.892 798 3HD2 LEU 98 HD23 LEU 98 -10.592 -3.973 6.619 799 H VAL 99 HN VAL 99 -10.900 -8.011 3.254 800 HA VAL 99 HA VAL 99 -13.101 -9.412 4.329 801 HB VAL 99 HB VAL 99 -11.128 -10.212 2.183 802 1HG1 VAL 99 HG11 VAL 99 -13.360 -11.530 1.540 803 2HG1 VAL 99 HG12 VAL 99 -13.597 -11.477 3.287 804 3HG1 VAL 99 HG13 VAL 99 -12.152 -12.235 2.616 805 1HG2 VAL 99 HG21 VAL 99 -13.456 -9.580 0.939 806 2HG2 VAL 99 HG22 VAL 99 -12.164 -8.411 1.215 807 3HG2 VAL 99 HG23 VAL 99 -13.539 -8.484 2.317 808 H GLN 100 HN GLN 100 -10.199 -9.366 5.717 809 HA GLN 100 HA GLN 100 -9.125 -11.834 6.013 810 1HB GLN 100 HB2 GLN 100 -9.848 -9.939 8.260 811 2HB GLN 100 HB1 GLN 100 -8.731 -11.295 8.409 812 1HG GLN 100 HG2 GLN 100 -7.271 -10.338 6.715 813 2HG GLN 100 HG1 GLN 100 -8.418 -9.033 6.429 814 1HE2 GLN 100 HE21 GLN 100 -5.911 -8.194 7.137 815 2HE2 GLN 100 HE22 GLN 100 -5.876 -7.667 8.750 816 H GLN 101 HN GLN 101 -9.496 -13.659 7.378 817 HA GLN 101 HA GLN 101 -10.772 -15.344 8.274 818 1HB GLN 101 HB2 GLN 101 -12.512 -13.006 9.082 819 2HB GLN 101 HB1 GLN 101 -12.776 -14.665 9.614 820 1HG GLN 101 HG2 GLN 101 -10.565 -14.719 10.653 821 2HG GLN 101 HG1 GLN 101 -10.216 -13.099 10.052 822 1HE2 GLN 101 HE21 GLN 101 -10.240 -13.786 12.877 823 2HE2 GLN 101 HE22 GLN 101 -11.505 -12.914 13.598 824 H GLU 102 HN GLU 102 -13.621 -13.402 7.650 825 HA GLU 102 HA GLU 102 -14.973 -15.391 6.212 826 1HB GLU 102 HB2 GLU 102 -15.374 -12.389 6.157 827 2HB GLU 102 HB1 GLU 102 -16.530 -13.580 5.560 828 1HG GLU 102 HG2 GLU 102 -16.625 -14.592 7.825 829 2HG GLU 102 HG1 GLU 102 -15.524 -13.345 8.410 830 H GLY 103 HN GLY 103 -15.361 -15.711 4.017 831 1HA GLY 103 HA2 GLY 103 -14.877 -14.330 1.797 832 2HA GLY 103 HA1 GLY 103 -13.233 -14.770 2.249 833 H ILE 104 HN ILE 104 -15.692 -16.993 3.136 834 HA ILE 104 HA ILE 104 -14.780 -18.827 1.015 835 HB ILE 104 HB ILE 104 -16.064 -19.394 3.694 836 1HG1 ILE 104 HG12 ILE 104 -13.284 -20.030 2.662 837 2HG1 ILE 104 HG11 ILE 104 -13.655 -18.630 3.668 838 1HG2 ILE 104 HG21 ILE 104 -15.489 -21.777 3.090 839 2HG2 ILE 104 HG22 ILE 104 -15.157 -21.216 1.451 840 3HG2 ILE 104 HG23 ILE 104 -16.783 -21.074 2.120 841 1HD1 ILE 104 HD11 ILE 104 -13.670 -19.891 5.535 842 2HD1 ILE 104 HD12 ILE 104 -13.046 -21.222 4.560 843 3HD1 ILE 104 HD13 ILE 104 -14.783 -21.050 4.808 844 H PHE 105 HN PHE 105 -16.168 -19.732 -0.390 845 HA PHE 105 HA PHE 105 -18.559 -18.548 -1.096 846 1HB PHE 105 HB2 PHE 105 -18.145 -21.499 -1.493 847 2HB PHE 105 HB1 PHE 105 -18.865 -20.323 -2.591 848 HD1 PHE 105 HD1 PHE 105 -16.685 -18.156 -2.132 849 HD2 PHE 105 HD2 PHE 105 -16.499 -22.348 -3.054 850 HE1 PHE 105 HE1 PHE 105 -14.478 -17.822 -3.207 851 HE2 PHE 105 HE2 PHE 105 -14.290 -22.012 -4.128 852 HZ PHE 105 HZ PHE 105 -13.279 -19.750 -4.204 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -6.989 -11.603 33.502 2 2H GLY 1 HT2 GLY 1 -6.428 -10.400 32.443 3 3H GLY 1 HT3 GLY 1 -8.053 -10.890 32.392 4 1HA GLY 1 HA2 GLY 1 -8.267 -8.964 33.574 5 2HA GLY 1 HA1 GLY 1 -8.049 -10.137 34.874 6 H SER 2 HN SER 2 -5.197 -10.169 33.326 7 HA SER 2 HA SER 2 -4.049 -8.109 35.107 8 1HB SER 2 HB2 SER 2 -2.757 -10.589 33.950 9 2HB SER 2 HB1 SER 2 -1.974 -9.427 35.017 10 HG SER 2 HG SER 2 -3.217 -10.084 36.664 11 H SER 3 HN SER 3 -2.523 -6.672 34.310 12 HA SER 3 HA SER 3 -2.780 -5.940 31.572 13 1HB SER 3 HB2 SER 3 -1.239 -4.176 32.078 14 2HB SER 3 HB1 SER 3 -2.270 -4.379 33.492 15 HG SER 3 HG SER 3 -0.612 -5.641 34.419 16 H LEU 4 HN LEU 4 -0.994 -5.746 30.039 17 HA LEU 4 HA LEU 4 1.459 -7.103 30.302 18 1HB LEU 4 HB2 LEU 4 -0.010 -9.105 30.411 19 2HB LEU 4 HB1 LEU 4 -0.657 -8.687 28.824 20 HG LEU 4 HG LEU 4 1.696 -8.763 27.929 21 1HD1 LEU 4 HD11 LEU 4 3.080 -10.349 29.637 22 2HD1 LEU 4 HD12 LEU 4 2.177 -9.374 30.795 23 3HD1 LEU 4 HD13 LEU 4 3.232 -8.592 29.618 24 1HD2 LEU 4 HD21 LEU 4 1.179 -10.873 27.323 25 2HD2 LEU 4 HD22 LEU 4 -0.087 -10.869 28.550 26 3HD2 LEU 4 HD23 LEU 4 1.524 -11.467 28.947 27 H SER 5 HN SER 5 -1.178 -6.145 28.172 28 HA SER 5 HA SER 5 0.825 -5.084 26.278 29 1HB SER 5 HB2 SER 5 -1.108 -5.592 24.554 30 2HB SER 5 HB1 SER 5 0.046 -6.846 25.002 31 HG SER 5 HG SER 5 -1.462 -7.594 26.524 32 HA PRO 6 HA PRO 6 -2.156 -1.807 27.590 33 1HB PRO 6 HB2 PRO 6 0.088 -0.032 27.931 34 2HB PRO 6 HB1 PRO 6 -0.991 -0.685 29.173 35 1HG PRO 6 HG2 PRO 6 1.684 -1.324 28.851 36 2HG PRO 6 HG1 PRO 6 0.501 -2.246 29.789 37 1HD PRO 6 HD2 PRO 6 1.629 -2.825 27.098 38 2HD PRO 6 HD1 PRO 6 0.992 -3.945 28.323 39 H GLN 7 HN GLN 7 -1.439 -2.621 24.942 40 HA GLN 7 HA GLN 7 -0.461 -0.354 23.459 41 1HB GLN 7 HB2 GLN 7 -1.891 -2.856 22.522 42 2HB GLN 7 HB1 GLN 7 -1.049 -1.701 21.488 43 1HG GLN 7 HG2 GLN 7 1.066 -2.184 22.609 44 2HG GLN 7 HG1 GLN 7 0.250 -3.265 23.738 45 1HE2 GLN 7 HE21 GLN 7 2.245 -4.479 22.344 46 2HE2 GLN 7 HE22 GLN 7 1.629 -5.452 21.097 47 H ALA 8 HN ALA 8 -3.306 -0.903 25.034 48 HA ALA 8 HA ALA 8 -5.366 0.109 24.976 49 1HB ALA 8 HB1 ALA 8 -5.558 2.249 23.921 50 2HB ALA 8 HB2 ALA 8 -4.216 1.902 22.831 51 3HB ALA 8 HB3 ALA 8 -3.915 2.140 24.552 52 H LEU 9 HN LEU 9 -4.683 0.862 21.607 53 HA LEU 9 HA LEU 9 -7.016 -0.655 20.778 54 1HB LEU 9 HB2 LEU 9 -6.519 0.294 18.543 55 2HB LEU 9 HB1 LEU 9 -6.628 1.539 19.788 56 HG LEU 9 HG LEU 9 -3.926 0.639 19.737 57 1HD1 LEU 9 HD11 LEU 9 -4.800 1.568 17.000 58 2HD1 LEU 9 HD12 LEU 9 -4.680 -0.147 17.396 59 3HD1 LEU 9 HD13 LEU 9 -3.249 0.880 17.480 60 1HD2 LEU 9 HD21 LEU 9 -3.588 3.024 18.899 61 2HD2 LEU 9 HD22 LEU 9 -4.517 2.871 20.390 62 3HD2 LEU 9 HD23 LEU 9 -5.345 3.168 18.861 63 H ALA 10 HN ALA 10 -6.728 -1.915 18.628 64 HA ALA 10 HA ALA 10 -5.100 -4.174 19.156 65 1HB ALA 10 HB1 ALA 10 -7.253 -4.056 17.772 66 2HB ALA 10 HB2 ALA 10 -5.954 -5.061 17.129 67 3HB ALA 10 HB3 ALA 10 -6.242 -3.455 16.457 68 H GLN 11 HN GLN 11 -3.928 -4.898 16.779 69 HA GLN 11 HA GLN 11 -1.561 -3.210 16.796 70 1HB GLN 11 HB2 GLN 11 -2.038 -5.683 15.129 71 2HB GLN 11 HB1 GLN 11 -0.491 -4.964 15.575 72 1HG GLN 11 HG2 GLN 11 -2.351 -5.798 17.765 73 2HG GLN 11 HG1 GLN 11 -1.459 -7.047 16.901 74 1HE2 GLN 11 HE21 GLN 11 0.934 -5.433 16.395 75 2HE2 GLN 11 HE22 GLN 11 1.703 -5.214 17.893 76 HA PRO 12 HA PRO 12 -3.202 -0.949 13.281 77 1HB PRO 12 HB2 PRO 12 -0.614 0.203 12.800 78 2HB PRO 12 HB1 PRO 12 -2.039 0.973 13.509 79 1HG PRO 12 HG2 PRO 12 0.356 0.161 14.805 80 2HG PRO 12 HG1 PRO 12 -1.069 0.931 15.511 81 1HD PRO 12 HD2 PRO 12 -0.198 -1.784 15.830 82 2HD PRO 12 HD1 PRO 12 -1.635 -1.011 16.524 83 H LEU 13 HN LEU 13 -2.914 -0.994 10.974 84 HA LEU 13 HA LEU 13 -1.725 -3.413 10.006 85 1HB LEU 13 HB2 LEU 13 -3.782 -2.219 9.053 86 2HB LEU 13 HB1 LEU 13 -2.649 -1.086 8.321 87 HG LEU 13 HG LEU 13 -2.515 -4.086 7.927 88 1HD1 LEU 13 HD11 LEU 13 -3.233 -3.068 5.517 89 2HD1 LEU 13 HD12 LEU 13 -4.086 -1.958 6.593 90 3HD1 LEU 13 HD13 LEU 13 -4.396 -3.692 6.689 91 1HD2 LEU 13 HD21 LEU 13 -0.916 -1.743 7.066 92 2HD2 LEU 13 HD22 LEU 13 -1.275 -2.919 5.805 93 3HD2 LEU 13 HD23 LEU 13 -0.428 -3.424 7.267 94 H LEU 14 HN LEU 14 0.307 -3.707 9.258 95 HA LEU 14 HA LEU 14 2.017 -1.339 9.134 96 1HB LEU 14 HB2 LEU 14 2.709 -4.283 9.130 97 2HB LEU 14 HB1 LEU 14 3.853 -2.950 9.242 98 HG LEU 14 HG LEU 14 1.703 -3.703 11.233 99 1HD1 LEU 14 HD11 LEU 14 3.466 -4.213 12.704 100 2HD1 LEU 14 HD12 LEU 14 4.640 -3.290 11.763 101 3HD1 LEU 14 HD13 LEU 14 4.041 -4.835 11.157 102 1HD2 LEU 14 HD21 LEU 14 2.812 -1.706 12.508 103 2HD2 LEU 14 HD22 LEU 14 1.602 -1.355 11.274 104 3HD2 LEU 14 HD23 LEU 14 3.318 -1.182 10.901 105 H LEU 15 HN LEU 15 2.220 -0.406 7.272 106 HA LEU 15 HA LEU 15 2.256 -2.048 4.816 107 1HB LEU 15 HB2 LEU 15 0.203 -0.548 5.308 108 2HB LEU 15 HB1 LEU 15 1.282 0.805 4.979 109 HG LEU 15 HG LEU 15 0.002 0.124 2.972 110 1HD1 LEU 15 HD11 LEU 15 2.795 -0.714 2.376 111 2HD1 LEU 15 HD12 LEU 15 2.561 0.874 3.100 112 3HD1 LEU 15 HD13 LEU 15 1.783 0.480 1.568 113 1HD2 LEU 15 HD21 LEU 15 0.325 -2.423 3.871 114 2HD2 LEU 15 HD22 LEU 15 1.598 -2.358 2.653 115 3HD2 LEU 15 HD23 LEU 15 -0.076 -2.028 2.201 116 H GLN 16 HN GLN 16 4.029 -1.784 3.536 117 HA GLN 16 HA GLN 16 5.713 0.590 4.041 118 1HB GLN 16 HB2 GLN 16 6.525 -2.295 3.860 119 2HB GLN 16 HB1 GLN 16 7.663 -1.008 3.457 120 1HG GLN 16 HG2 GLN 16 7.348 0.006 5.654 121 2HG GLN 16 HG1 GLN 16 6.134 -1.204 6.067 122 1HE2 GLN 16 HE21 GLN 16 8.810 -0.680 7.368 123 2HE2 GLN 16 HE22 GLN 16 9.637 -2.161 7.288 124 H LEU 17 HN LEU 17 6.907 1.384 2.309 125 HA LEU 17 HA LEU 17 6.204 0.320 -0.346 126 1HB LEU 17 HB2 LEU 17 4.790 2.292 0.195 127 2HB LEU 17 HB1 LEU 17 6.254 3.245 0.413 128 HG LEU 17 HG LEU 17 6.876 2.443 -1.980 129 1HD1 LEU 17 HD11 LEU 17 5.313 0.814 -2.546 130 2HD1 LEU 17 HD12 LEU 17 4.579 2.241 -3.273 131 3HD1 LEU 17 HD13 LEU 17 3.994 1.642 -1.722 132 1HD2 LEU 17 HD21 LEU 17 6.321 4.762 -1.469 133 2HD2 LEU 17 HD22 LEU 17 4.599 4.380 -1.457 134 3HD2 LEU 17 HD23 LEU 17 5.511 4.297 -2.964 135 H PHE 18 HN PHE 18 7.894 0.095 -1.689 136 HA PHE 18 HA PHE 18 10.513 1.048 -0.759 137 1HB PHE 18 HB2 PHE 18 9.650 -0.986 -2.817 138 2HB PHE 18 HB1 PHE 18 11.315 -0.422 -2.700 139 HD1 PHE 18 HD1 PHE 18 8.572 -2.087 -0.807 140 HD2 PHE 18 HD2 PHE 18 12.770 -1.201 -0.994 141 HE1 PHE 18 HE1 PHE 18 8.995 -3.692 1.038 142 HE2 PHE 18 HE2 PHE 18 13.197 -2.806 0.849 143 HZ PHE 18 HZ PHE 18 11.305 -4.050 1.866 144 H VAL 19 HN VAL 19 11.345 2.856 -1.579 145 HA VAL 19 HA VAL 19 10.652 3.582 -4.356 146 HB VAL 19 HB VAL 19 10.313 5.877 -3.754 147 1HG1 VAL 19 HG11 VAL 19 8.458 4.161 -3.338 148 2HG1 VAL 19 HG12 VAL 19 8.296 5.699 -2.489 149 3HG1 VAL 19 HG13 VAL 19 8.878 4.273 -1.628 150 1HG2 VAL 19 HG21 VAL 19 11.076 5.011 -0.946 151 2HG2 VAL 19 HG22 VAL 19 10.491 6.615 -1.386 152 3HG2 VAL 19 HG23 VAL 19 12.036 6.038 -2.010 153 H ASP 20 HN ASP 20 12.221 4.727 -5.492 154 HA ASP 20 HA ASP 20 14.923 4.580 -4.327 155 1HB ASP 20 HB2 ASP 20 15.760 4.605 -6.590 156 2HB ASP 20 HB1 ASP 20 14.486 3.391 -6.491 157 H THR 21 HN THR 21 12.748 6.667 -3.993 158 HA THR 21 HA THR 21 12.789 8.920 -3.524 159 HB THR 21 HB THR 21 14.790 10.138 -3.554 160 HG1 THR 21 HG1 THR 21 15.714 8.303 -5.509 161 1HG2 THR 21 HG21 THR 21 16.138 7.497 -3.472 162 2HG2 THR 21 HG22 THR 21 14.749 7.692 -2.404 163 3HG2 THR 21 HG23 THR 21 16.121 8.791 -2.274 164 H ARG 22 HN ARG 22 12.418 7.493 -6.348 165 HA ARG 22 HA ARG 22 12.675 9.683 -8.191 166 1HB ARG 22 HB2 ARG 22 11.387 8.227 -9.732 167 2HB ARG 22 HB1 ARG 22 12.757 7.383 -9.012 168 1HG ARG 22 HG2 ARG 22 11.145 6.526 -7.238 169 2HG ARG 22 HG1 ARG 22 9.843 7.164 -8.238 170 1HD ARG 22 HD2 ARG 22 11.919 5.202 -9.230 171 2HD ARG 22 HD1 ARG 22 10.323 4.736 -8.652 172 HE ARG 22 HE ARG 22 9.618 6.463 -10.526 173 1HH1 ARG 22 HH11 ARG 22 12.707 5.210 -10.916 174 2HH1 ARG 22 HH12 ARG 22 12.420 4.481 -12.460 175 1HH2 ARG 22 HH21 ARG 22 9.000 5.042 -12.388 176 2HH2 ARG 22 HH22 ARG 22 10.322 4.386 -13.293 177 HA PRO 23 HA PRO 23 9.083 12.008 -7.098 178 1HB PRO 23 HB2 PRO 23 8.327 12.532 -9.814 179 2HB PRO 23 HB1 PRO 23 9.157 13.612 -8.687 180 1HG PRO 23 HG2 PRO 23 10.223 12.093 -10.903 181 2HG PRO 23 HG1 PRO 23 10.973 13.397 -9.972 182 1HD PRO 23 HD2 PRO 23 11.722 10.716 -9.857 183 2HD PRO 23 HD1 PRO 23 12.099 11.935 -8.621 184 H LEU 24 HN LEU 24 8.840 9.633 -9.718 185 HA LEU 24 HA LEU 24 6.070 9.406 -9.905 186 1HB LEU 24 HB2 LEU 24 7.674 8.290 -11.427 187 2HB LEU 24 HB1 LEU 24 8.096 7.168 -10.131 188 HG LEU 24 HG LEU 24 5.543 6.698 -10.007 189 1HD1 LEU 24 HD11 LEU 24 4.778 8.514 -11.427 190 2HD1 LEU 24 HD12 LEU 24 4.441 6.990 -12.247 191 3HD1 LEU 24 HD13 LEU 24 5.818 7.973 -12.745 192 1HD2 LEU 24 HD21 LEU 24 5.775 4.936 -11.652 193 2HD2 LEU 24 HD22 LEU 24 7.339 5.158 -10.868 194 3HD2 LEU 24 HD23 LEU 24 7.058 5.818 -12.479 195 H SER 25 HN SER 25 8.334 7.842 -7.667 196 HA SER 25 HA SER 25 6.439 6.191 -6.358 197 1HB SER 25 HB2 SER 25 8.134 5.896 -4.665 198 2HB SER 25 HB1 SER 25 8.939 5.934 -6.230 199 HG SER 25 HG SER 25 9.512 7.410 -4.207 200 H GLN 26 HN GLN 26 7.668 9.458 -5.758 201 HA GLN 26 HA GLN 26 6.208 9.939 -3.362 202 1HB GLN 26 HB2 GLN 26 7.279 11.825 -5.485 203 2HB GLN 26 HB1 GLN 26 6.575 12.358 -3.958 204 1HG GLN 26 HG2 GLN 26 8.856 10.383 -4.054 205 2HG GLN 26 HG1 GLN 26 9.136 12.123 -4.039 206 1HE2 GLN 26 HE21 GLN 26 6.277 11.350 -2.345 207 2HE2 GLN 26 HE22 GLN 26 6.921 11.374 -0.775 208 H HIS 27 HN HIS 27 5.591 10.139 -6.756 209 HA HIS 27 HA HIS 27 3.124 11.530 -6.768 210 1HB HIS 27 HB2 HIS 27 4.858 10.674 -8.637 211 2HB HIS 27 HB1 HIS 27 3.686 9.366 -8.737 212 HD1 HIS 27 HD1 HIS 27 1.121 11.134 -8.194 213 HD2 HIS 27 HD2 HIS 27 4.141 12.009 -10.934 214 HE1 HIS 27 HE1 HIS 27 0.090 12.679 -9.920 215 H ILE 28 HN ILE 28 3.921 8.078 -7.008 216 HA ILE 28 HA ILE 28 1.273 7.113 -6.741 217 HB ILE 28 HB ILE 28 3.940 5.775 -6.223 218 1HG1 ILE 28 HG12 ILE 28 2.033 5.651 -8.583 219 2HG1 ILE 28 HG11 ILE 28 3.531 6.581 -8.545 220 1HG2 ILE 28 HG21 ILE 28 2.421 4.401 -5.081 221 2HG2 ILE 28 HG22 ILE 28 2.398 3.704 -6.701 222 3HG2 ILE 28 HG23 ILE 28 1.098 4.778 -6.185 223 1HD1 ILE 28 HD11 ILE 28 4.117 3.913 -7.688 224 2HD1 ILE 28 HD12 ILE 28 4.692 4.747 -9.132 225 3HD1 ILE 28 HD13 ILE 28 3.192 3.822 -9.187 226 H VAL 29 HN VAL 29 3.804 7.924 -4.436 227 HA VAL 29 HA VAL 29 2.780 6.674 -2.153 228 HB VAL 29 HB VAL 29 4.314 9.260 -2.470 229 1HG1 VAL 29 HG11 VAL 29 3.030 8.030 -0.114 230 2HG1 VAL 29 HG12 VAL 29 3.603 9.682 -0.350 231 3HG1 VAL 29 HG13 VAL 29 4.738 8.412 0.105 232 1HG2 VAL 29 HG21 VAL 29 5.581 7.029 -1.092 233 2HG2 VAL 29 HG22 VAL 29 6.141 7.927 -2.503 234 3HG2 VAL 29 HG23 VAL 29 5.045 6.562 -2.706 235 H GLN 30 HN GLN 30 2.038 9.837 -3.582 236 HA GLN 30 HA GLN 30 0.228 10.708 -1.597 237 1HB GLN 30 HB2 GLN 30 0.292 11.286 -4.570 238 2HB GLN 30 HB1 GLN 30 -0.749 12.120 -3.419 239 1HG GLN 30 HG2 GLN 30 2.278 12.066 -3.398 240 2HG GLN 30 HG1 GLN 30 1.250 13.443 -3.791 241 1HE2 GLN 30 HE21 GLN 30 0.105 14.508 -2.026 242 2HE2 GLN 30 HE22 GLN 30 0.525 14.222 -0.406 243 H ARG 31 HN ARG 31 -0.195 8.825 -4.571 244 HA ARG 31 HA ARG 31 -3.003 8.545 -4.393 245 1HB ARG 31 HB2 ARG 31 -0.945 6.711 -5.641 246 2HB ARG 31 HB1 ARG 31 -2.688 6.602 -5.894 247 1HG ARG 31 HG2 ARG 31 -2.659 8.969 -6.722 248 2HG ARG 31 HG1 ARG 31 -0.899 8.938 -6.611 249 1HD ARG 31 HD2 ARG 31 -0.956 6.888 -8.105 250 2HD ARG 31 HD1 ARG 31 -2.664 7.229 -8.366 251 HE ARG 31 HE ARG 31 -0.705 9.348 -8.945 252 1HH1 ARG 31 HH21 ARG 31 -1.729 6.596 -10.519 253 2HH1 ARG 31 HH22 ARG 31 -2.425 7.397 -11.888 254 1HH2 ARG 31 HH11 ARG 31 -2.158 10.564 -10.504 255 2HH2 ARG 31 HH12 ARG 31 -2.667 9.644 -11.880 256 H VAL 32 HN VAL 32 -0.314 6.652 -3.083 257 HA VAL 32 HA VAL 32 -1.878 4.534 -2.034 258 HB VAL 32 HB VAL 32 0.811 5.641 -1.189 259 1HG1 VAL 32 HG11 VAL 32 1.067 3.460 -0.014 260 2HG1 VAL 32 HG12 VAL 32 -0.621 3.094 -0.375 261 3HG1 VAL 32 HG13 VAL 32 -0.218 4.448 0.681 262 1HG2 VAL 32 HG21 VAL 32 0.552 2.977 -2.436 263 2HG2 VAL 32 HG22 VAL 32 1.714 4.263 -2.763 264 3HG2 VAL 32 HG23 VAL 32 0.108 4.319 -3.491 265 H LYS 33 HN LYS 33 -0.552 7.475 -0.511 266 HA LYS 33 HA LYS 33 -1.738 7.107 2.015 267 1HB LYS 33 HB2 LYS 33 -0.872 9.603 0.556 268 2HB LYS 33 HB1 LYS 33 -1.397 9.581 2.235 269 1HG LYS 33 HG2 LYS 33 0.384 7.868 2.701 270 2HG LYS 33 HG1 LYS 33 0.970 8.110 1.055 271 1HD LYS 33 HD2 LYS 33 1.260 10.530 1.537 272 2HD LYS 33 HD1 LYS 33 0.749 10.237 3.199 273 1HE LYS 33 HE2 LYS 33 2.656 8.457 3.220 274 2HE LYS 33 HE1 LYS 33 3.265 9.333 1.816 275 1HZ LYS 33 HZ1 LYS 33 4.084 10.058 4.093 276 2HZ LYS 33 HZ2 LYS 33 2.538 10.728 4.318 277 3HZ LYS 33 HZ3 LYS 33 3.529 11.275 3.051 278 H ASN 34 HN ASN 34 -2.845 8.806 -0.887 279 HA ASN 34 HA ASN 34 -5.152 9.975 0.201 280 1HB ASN 34 HB2 ASN 34 -4.569 9.089 -2.631 281 2HB ASN 34 HB1 ASN 34 -5.877 10.165 -2.154 282 1HD2 ASN 34 HD21 ASN 34 -3.231 10.588 -3.771 283 2HD2 ASN 34 HD22 ASN 34 -2.541 11.961 -3.044 284 H ILE 35 HN ILE 35 -4.742 6.875 -1.515 285 HA ILE 35 HA ILE 35 -7.500 6.165 -1.374 286 HB ILE 35 HB ILE 35 -5.051 4.452 -1.791 287 1HG1 ILE 35 HG12 ILE 35 -7.067 5.538 -3.780 288 2HG1 ILE 35 HG11 ILE 35 -5.505 6.289 -3.465 289 1HG2 ILE 35 HG21 ILE 35 -7.786 3.740 -1.308 290 2HG2 ILE 35 HG22 ILE 35 -6.434 2.678 -1.703 291 3HG2 ILE 35 HG23 ILE 35 -7.408 3.384 -2.994 292 1HD1 ILE 35 HD11 ILE 35 -6.110 4.039 -5.160 293 2HD1 ILE 35 HD12 ILE 35 -4.994 3.536 -3.890 294 3HD1 ILE 35 HD13 ILE 35 -4.574 4.880 -4.953 295 H LEU 36 HN LEU 36 -4.664 5.130 0.542 296 HA LEU 36 HA LEU 36 -6.023 3.341 2.221 297 1HB LEU 36 HB2 LEU 36 -3.600 5.063 2.790 298 2HB LEU 36 HB1 LEU 36 -4.142 3.730 3.809 299 HG LEU 36 HG LEU 36 -3.425 3.462 0.875 300 1HD1 LEU 36 HD11 LEU 36 -1.866 2.506 3.290 301 2HD1 LEU 36 HD12 LEU 36 -1.502 4.006 2.438 302 3HD1 LEU 36 HD13 LEU 36 -1.361 2.461 1.601 303 1HD2 LEU 36 HD21 LEU 36 -4.867 1.689 1.313 304 2HD2 LEU 36 HD22 LEU 36 -4.419 1.613 3.017 305 3HD2 LEU 36 HD23 LEU 36 -3.324 0.979 1.788 306 H ALA 37 HN ALA 37 -5.478 6.822 2.510 307 HA ALA 37 HA ALA 37 -6.747 7.081 5.057 308 1HB ALA 37 HB1 ALA 37 -5.232 8.813 4.403 309 2HB ALA 37 HB2 ALA 37 -6.843 9.532 4.396 310 3HB ALA 37 HB3 ALA 37 -6.078 9.067 2.877 311 H ALA 38 HN ALA 38 -7.853 6.543 1.901 312 HA ALA 38 HA ALA 38 -10.458 7.775 2.332 313 1HB ALA 38 HB1 ALA 38 -10.440 7.938 0.102 314 2HB ALA 38 HB2 ALA 38 -10.402 6.180 -0.031 315 3HB ALA 38 HB3 ALA 38 -8.894 7.091 0.054 316 H VAL 39 HN VAL 39 -9.406 5.390 3.890 317 HA VAL 39 HA VAL 39 -11.841 3.821 3.609 318 HB VAL 39 HB VAL 39 -9.805 2.895 2.192 319 1HG1 VAL 39 HG11 VAL 39 -9.339 1.496 4.824 320 2HG1 VAL 39 HG12 VAL 39 -8.405 2.920 4.368 321 3HG1 VAL 39 HG13 VAL 39 -8.338 1.467 3.372 322 1HG2 VAL 39 HG21 VAL 39 -10.801 0.712 2.356 323 2HG2 VAL 39 HG22 VAL 39 -12.099 1.881 2.602 324 3HG2 VAL 39 HG23 VAL 39 -11.396 1.041 3.984 325 H GLU 40 HN GLU 40 -8.857 4.477 5.364 326 HA GLU 40 HA GLU 40 -8.268 3.917 7.562 327 1HB GLU 40 HB2 GLU 40 -10.940 5.316 7.847 328 2HB GLU 40 HB1 GLU 40 -9.749 5.128 9.134 329 1HG GLU 40 HG2 GLU 40 -8.089 6.352 7.762 330 2HG GLU 40 HG1 GLU 40 -9.306 6.573 6.505 331 H ALA 41 HN ALA 41 -11.710 3.748 8.217 332 HA ALA 41 HA ALA 41 -13.085 1.936 8.705 333 1HB ALA 41 HB1 ALA 41 -10.844 -0.025 8.649 334 2HB ALA 41 HB2 ALA 41 -11.337 0.696 7.117 335 3HB ALA 41 HB3 ALA 41 -12.507 -0.197 8.088 336 H THR 42 HN THR 42 -12.000 3.559 10.632 337 HA THR 42 HA THR 42 -11.723 3.674 12.906 338 HB THR 42 HB THR 42 -12.532 1.899 14.267 339 HG1 THR 42 HG1 THR 42 -11.951 0.318 12.003 340 1HG2 THR 42 HG21 THR 42 -14.519 2.566 13.400 341 2HG2 THR 42 HG22 THR 42 -14.473 1.028 12.541 342 3HG2 THR 42 HG23 THR 42 -13.927 2.502 11.741 343 H VAL 43 HN VAL 43 -10.089 1.086 11.194 344 HA VAL 43 HA VAL 43 -7.868 1.228 13.132 345 HB VAL 43 HB VAL 43 -7.198 -0.941 11.883 346 1HG1 VAL 43 HG11 VAL 43 -8.387 -2.228 13.488 347 2HG1 VAL 43 HG12 VAL 43 -9.736 -1.092 13.510 348 3HG1 VAL 43 HG13 VAL 43 -8.194 -0.644 14.239 349 1HG2 VAL 43 HG21 VAL 43 -10.145 -1.139 11.364 350 2HG2 VAL 43 HG22 VAL 43 -8.827 -2.061 10.642 351 3HG2 VAL 43 HG23 VAL 43 -9.102 -0.387 10.158 352 HA PRO 44 HA PRO 44 -6.241 3.482 9.515 353 1HB PRO 44 HB2 PRO 44 -4.181 4.523 11.232 354 2HB PRO 44 HB1 PRO 44 -5.548 5.380 10.508 355 1HG PRO 44 HG2 PRO 44 -5.192 4.749 13.210 356 2HG PRO 44 HG1 PRO 44 -6.653 5.385 12.445 357 1HD PRO 44 HD2 PRO 44 -6.112 2.673 13.419 358 2HD PRO 44 HD1 PRO 44 -7.660 3.422 12.986 359 H ILE 45 HN ILE 45 -4.272 3.366 8.338 360 HA ILE 45 HA ILE 45 -2.658 0.988 8.992 361 HB ILE 45 HB ILE 45 -2.873 2.485 6.372 362 1HG1 ILE 45 HG12 ILE 45 -4.082 0.118 5.911 363 2HG1 ILE 45 HG11 ILE 45 -4.505 0.323 7.613 364 1HG2 ILE 45 HG21 ILE 45 -1.123 0.413 7.373 365 2HG2 ILE 45 HG22 ILE 45 -1.099 1.216 5.801 366 3HG2 ILE 45 HG23 ILE 45 -2.100 -0.215 6.045 367 1HD1 ILE 45 HD11 ILE 45 -5.355 1.908 5.243 368 2HD1 ILE 45 HD12 ILE 45 -5.041 2.816 6.721 369 3HD1 ILE 45 HD13 ILE 45 -6.242 1.526 6.718 370 H SER 46 HN SER 46 -0.428 1.104 9.107 371 HA SER 46 HA SER 46 0.679 3.821 9.348 372 1HB SER 46 HB2 SER 46 1.011 2.264 11.252 373 2HB SER 46 HB1 SER 46 1.860 1.155 10.180 374 HG SER 46 HG SER 46 3.131 2.759 11.469 375 H LEU 47 HN LEU 47 1.638 4.597 7.580 376 HA LEU 47 HA LEU 47 2.734 2.703 5.623 377 1HB LEU 47 HB2 LEU 47 1.105 4.792 5.205 378 2HB LEU 47 HB1 LEU 47 2.652 5.622 5.067 379 HG LEU 47 HG LEU 47 1.616 3.314 3.411 380 1HD1 LEU 47 HD11 LEU 47 2.970 5.808 2.429 381 2HD1 LEU 47 HD12 LEU 47 1.280 5.870 2.930 382 3HD1 LEU 47 HD13 LEU 47 1.773 4.800 1.618 383 1HD2 LEU 47 HD21 LEU 47 4.454 4.220 3.877 384 2HD2 LEU 47 HD22 LEU 47 3.977 3.562 2.314 385 3HD2 LEU 47 HD23 LEU 47 3.823 2.575 3.764 386 H GLN 48 HN GLN 48 4.840 2.352 5.541 387 HA GLN 48 HA GLN 48 6.675 4.468 6.462 388 1HB GLN 48 HB2 GLN 48 6.636 1.529 7.020 389 2HB GLN 48 HB1 GLN 48 8.184 2.359 6.914 390 1HG GLN 48 HG2 GLN 48 7.410 3.988 8.614 391 2HG GLN 48 HG1 GLN 48 5.881 3.118 8.733 392 1HE2 GLN 48 HE21 GLN 48 8.521 3.490 10.526 393 2HE2 GLN 48 HE22 GLN 48 8.744 1.916 11.125 394 H VAL 49 HN VAL 49 8.264 5.000 5.060 395 HA VAL 49 HA VAL 49 8.273 3.621 2.470 396 HB VAL 49 HB VAL 49 9.671 6.201 3.187 397 1HG1 VAL 49 HG11 VAL 49 9.194 6.408 0.596 398 2HG1 VAL 49 HG12 VAL 49 9.116 4.649 0.685 399 3HG1 VAL 49 HG13 VAL 49 10.587 5.492 1.174 400 1HG2 VAL 49 HG21 VAL 49 7.702 7.301 3.053 401 2HG2 VAL 49 HG22 VAL 49 6.897 5.733 3.130 402 3HG2 VAL 49 HG23 VAL 49 7.271 6.456 1.565 403 H ILE 50 HN ILE 50 9.988 2.549 1.686 404 HA ILE 50 HA ILE 50 12.386 2.422 3.405 405 HB ILE 50 HB ILE 50 11.450 0.305 1.466 406 1HG1 ILE 50 HG12 ILE 50 10.924 0.521 4.449 407 2HG1 ILE 50 HG11 ILE 50 9.710 0.716 3.187 408 1HG2 ILE 50 HG21 ILE 50 12.845 -1.026 3.262 409 2HG2 ILE 50 HG22 ILE 50 13.536 0.557 3.613 410 3HG2 ILE 50 HG23 ILE 50 13.683 -0.129 1.995 411 1HD1 ILE 50 HD11 ILE 50 11.376 -1.787 3.540 412 2HD1 ILE 50 HD12 ILE 50 10.002 -1.569 2.457 413 3HD1 ILE 50 HD13 ILE 50 9.754 -1.586 4.202 414 H ASN 51 HN ASN 51 14.151 3.311 2.509 415 HA ASN 51 HA ASN 51 14.125 4.005 -0.305 416 1HB ASN 51 HB2 ASN 51 15.928 4.609 2.018 417 2HB ASN 51 HB1 ASN 51 16.474 4.911 0.370 418 1HD2 ASN 51 HD21 ASN 51 14.224 5.877 -0.904 419 2HD2 ASN 51 HD22 ASN 51 13.661 7.283 -0.136 420 H VAL 52 HN VAL 52 14.540 2.362 -1.658 421 HA VAL 52 HA VAL 52 15.993 0.044 -1.086 422 HB VAL 52 HB VAL 52 16.027 -0.322 -3.512 423 1HG1 VAL 52 HG11 VAL 52 13.442 0.464 -3.779 424 2HG1 VAL 52 HG12 VAL 52 13.621 0.578 -2.028 425 3HG1 VAL 52 HG13 VAL 52 13.930 -0.953 -2.848 426 1HG2 VAL 52 HG21 VAL 52 16.536 1.699 -4.545 427 2HG2 VAL 52 HG22 VAL 52 15.469 2.624 -3.489 428 3HG2 VAL 52 HG23 VAL 52 14.790 1.646 -4.792 429 H ALA 53 HN ALA 53 17.089 3.172 -2.262 430 HA ALA 53 HA ALA 53 19.693 2.295 -3.036 431 1HB ALA 53 HB1 ALA 53 18.269 4.869 -2.773 432 2HB ALA 53 HB2 ALA 53 19.366 4.307 -4.035 433 3HB ALA 53 HB3 ALA 53 20.013 4.948 -2.525 434 H ASP 54 HN ASP 54 18.194 3.208 -0.041 435 HA ASP 54 HA ASP 54 20.762 3.531 1.292 436 1HB ASP 54 HB2 ASP 54 17.925 3.759 2.298 437 2HB ASP 54 HB1 ASP 54 19.354 4.003 3.301 438 H GLN 55 HN GLN 55 18.421 1.078 0.714 439 HA GLN 55 HA GLN 55 19.987 -0.805 2.281 440 1HB GLN 55 HB2 GLN 55 18.116 -1.580 3.635 441 2HB GLN 55 HB1 GLN 55 18.398 0.138 3.928 442 1HG GLN 55 HG2 GLN 55 16.654 0.228 1.822 443 2HG GLN 55 HG1 GLN 55 16.084 -1.196 2.683 444 1HE2 GLN 55 HE21 GLN 55 15.710 2.130 2.551 445 2HE2 GLN 55 HE22 GLN 55 15.142 2.394 4.129 446 HA PRO 56 HA PRO 56 17.997 -2.523 -1.553 447 1HB PRO 56 HB2 PRO 56 20.617 -3.337 -2.421 448 2HB PRO 56 HB1 PRO 56 19.543 -2.140 -3.160 449 1HG PRO 56 HG2 PRO 56 21.943 -1.597 -1.900 450 2HG PRO 56 HG1 PRO 56 20.668 -0.421 -2.245 451 1HD PRO 56 HD2 PRO 56 21.375 -1.727 0.333 452 2HD PRO 56 HD1 PRO 56 20.619 -0.147 0.035 453 H GLN 57 HN GLN 57 19.827 -3.623 1.044 454 HA GLN 57 HA GLN 57 20.264 -6.333 0.331 455 1HB GLN 57 HB2 GLN 57 21.544 -5.453 2.122 456 2HB GLN 57 HB1 GLN 57 20.102 -4.908 2.982 457 1HG GLN 57 HG2 GLN 57 19.401 -7.192 3.377 458 2HG GLN 57 HG1 GLN 57 20.718 -7.814 2.377 459 1HE2 GLN 57 HE21 GLN 57 20.844 -8.880 4.813 460 2HE2 GLN 57 HE22 GLN 57 21.980 -8.112 5.814 461 H LEU 58 HN LEU 58 17.684 -4.833 2.330 462 HA LEU 58 HA LEU 58 16.348 -7.345 2.623 463 1HB LEU 58 HB2 LEU 58 14.474 -5.855 3.501 464 2HB LEU 58 HB1 LEU 58 15.988 -5.867 4.396 465 HG LEU 58 HG LEU 58 16.219 -3.877 2.369 466 1HD1 LEU 58 HD11 LEU 58 13.826 -3.364 4.115 467 2HD1 LEU 58 HD12 LEU 58 13.652 -4.113 2.528 468 3HD1 LEU 58 HD13 LEU 58 14.344 -2.498 2.670 469 1HD2 LEU 58 HD21 LEU 58 16.178 -2.399 4.505 470 2HD2 LEU 58 HD22 LEU 58 17.432 -3.631 4.390 471 3HD2 LEU 58 HD23 LEU 58 16.004 -3.916 5.383 472 H VAL 59 HN VAL 59 16.371 -4.834 0.260 473 HA VAL 59 HA VAL 59 13.810 -5.211 -0.890 474 HB VAL 59 HB VAL 59 16.383 -4.511 -2.335 475 1HG1 VAL 59 HG11 VAL 59 13.507 -3.750 -2.912 476 2HG1 VAL 59 HG12 VAL 59 14.357 -5.068 -3.709 477 3HG1 VAL 59 HG13 VAL 59 14.914 -3.412 -3.920 478 1HG2 VAL 59 HG21 VAL 59 15.980 -3.087 -0.319 479 2HG2 VAL 59 HG22 VAL 59 14.394 -2.675 -0.968 480 3HG2 VAL 59 HG23 VAL 59 15.851 -2.182 -1.827 481 H GLU 60 HN GLU 60 16.979 -6.715 -1.541 482 HA GLU 60 HA GLU 60 15.955 -8.557 -3.487 483 1HB GLU 60 HB2 GLU 60 18.497 -8.566 -1.843 484 2HB GLU 60 HB1 GLU 60 18.136 -9.742 -3.109 485 1HG GLU 60 HG2 GLU 60 17.867 -7.861 -4.725 486 2HG GLU 60 HG1 GLU 60 18.353 -6.738 -3.456 487 H TYR 61 HN TYR 61 16.326 -8.550 -0.003 488 HA TYR 61 HA TYR 61 16.053 -11.275 0.558 489 1HB TYR 61 HB2 TYR 61 16.533 -9.493 2.250 490 2HB TYR 61 HB1 TYR 61 14.847 -8.989 2.138 491 HD1 TYR 61 HD1 TYR 61 17.105 -11.773 3.092 492 HD2 TYR 61 HD2 TYR 61 13.085 -10.260 3.162 493 HE1 TYR 61 HE1 TYR 61 16.466 -13.548 4.699 494 HE2 TYR 61 HE2 TYR 61 12.445 -12.036 4.772 495 HH TYR 61 HH TYR 61 13.616 -13.477 6.477 496 H TYR 62 HN TYR 62 13.639 -8.789 -0.082 497 HA TYR 62 HA TYR 62 11.410 -10.637 0.152 498 1HB TYR 62 HB2 TYR 62 11.626 -7.749 -0.725 499 2HB TYR 62 HB1 TYR 62 10.109 -8.627 -0.601 500 HD1 TYR 62 HD1 TYR 62 12.099 -6.355 1.045 501 HD2 TYR 62 HD2 TYR 62 10.005 -10.030 1.780 502 HE1 TYR 62 HE1 TYR 62 12.012 -5.820 3.459 503 HE2 TYR 62 HE2 TYR 62 9.921 -9.497 4.200 504 HH TYR 62 HH TYR 62 11.808 -7.125 5.625 505 H ARG 63 HN ARG 63 13.734 -10.646 -1.938 506 HA ARG 63 HA ARG 63 13.996 -11.208 -4.147 507 1HB ARG 63 HB2 ARG 63 11.038 -11.833 -3.986 508 2HB ARG 63 HB1 ARG 63 12.158 -12.414 -5.219 509 1HG ARG 63 HG2 ARG 63 12.465 -12.988 -2.259 510 2HG ARG 63 HG1 ARG 63 11.675 -14.086 -3.389 511 1HD ARG 63 HD2 ARG 63 13.798 -14.062 -4.759 512 2HD ARG 63 HD1 ARG 63 14.559 -13.164 -3.451 513 HE ARG 63 HE ARG 63 14.853 -15.206 -2.431 514 1HH1 ARG 63 HH11 ARG 63 12.575 -15.657 -4.918 515 2HH1 ARG 63 HH12 ARG 63 11.879 -17.094 -4.246 516 1HH2 ARG 63 HH21 ARG 63 13.684 -16.904 -1.291 517 2HH2 ARG 63 HH22 ARG 63 12.508 -17.800 -2.193 518 H LEU 64 HN LEU 64 12.411 -8.708 -2.982 519 HA LEU 64 HA LEU 64 11.039 -7.533 -5.158 520 1HB LEU 64 HB2 LEU 64 11.071 -6.929 -2.629 521 2HB LEU 64 HB1 LEU 64 12.507 -5.995 -3.019 522 HG LEU 64 HG LEU 64 10.473 -4.614 -3.075 523 1HD1 LEU 64 HD11 LEU 64 11.078 -3.453 -4.984 524 2HD1 LEU 64 HD12 LEU 64 11.295 -4.920 -5.937 525 3HD1 LEU 64 HD13 LEU 64 12.508 -4.457 -4.739 526 1HD2 LEU 64 HD21 LEU 64 9.498 -5.893 -5.559 527 2HD2 LEU 64 HD22 LEU 64 8.591 -5.202 -4.214 528 3HD2 LEU 64 HD23 LEU 64 9.257 -6.828 -4.082 529 H VAL 65 HN VAL 65 11.832 -6.576 -6.962 530 HA VAL 65 HA VAL 65 14.610 -5.615 -6.964 531 HB VAL 65 HB VAL 65 13.514 -7.419 -9.128 532 1HG1 VAL 65 HG11 VAL 65 16.018 -7.474 -9.679 533 2HG1 VAL 65 HG12 VAL 65 16.179 -6.096 -8.590 534 3HG1 VAL 65 HG13 VAL 65 15.173 -5.967 -10.034 535 1HG2 VAL 65 HG21 VAL 65 13.861 -8.955 -7.428 536 2HG2 VAL 65 HG22 VAL 65 15.070 -7.951 -6.627 537 3HG2 VAL 65 HG23 VAL 65 15.497 -8.858 -8.078 538 H VAL 66 HN VAL 66 11.388 -5.126 -7.761 539 HA VAL 66 HA VAL 66 12.083 -3.143 -9.827 540 HB VAL 66 HB VAL 66 9.616 -3.298 -10.360 541 1HG1 VAL 66 HG11 VAL 66 11.772 -5.124 -10.958 542 2HG1 VAL 66 HG12 VAL 66 10.467 -4.574 -12.010 543 3HG1 VAL 66 HG13 VAL 66 10.233 -5.985 -10.978 544 1HG2 VAL 66 HG21 VAL 66 9.715 -5.892 -8.838 545 2HG2 VAL 66 HG22 VAL 66 8.304 -5.021 -9.438 546 3HG2 VAL 66 HG23 VAL 66 9.200 -4.400 -8.050 547 H THR 67 HN THR 67 11.376 -1.048 -9.582 548 HA THR 67 HA THR 67 9.862 -0.413 -7.149 549 HB THR 67 HB THR 67 11.419 1.590 -6.864 550 HG1 THR 67 HG1 THR 67 12.639 0.152 -8.902 551 1HG2 THR 67 HG21 THR 67 11.974 -1.274 -6.294 552 2HG2 THR 67 HG22 THR 67 11.773 0.077 -5.180 553 3HG2 THR 67 HG23 THR 67 13.304 -0.145 -6.026 554 HA PRO 68 HA PRO 68 9.283 1.574 -6.203 555 1HB PRO 68 HB2 PRO 68 6.531 2.411 -6.279 556 2HB PRO 68 HB1 PRO 68 7.950 3.361 -5.814 557 1HG PRO 68 HG2 PRO 68 6.398 3.743 -8.079 558 2HG PRO 68 HG1 PRO 68 8.011 4.409 -7.795 559 1HD PRO 68 HD2 PRO 68 7.195 2.132 -9.513 560 2HD PRO 68 HD1 PRO 68 8.608 3.202 -9.649 561 H ALA 69 HN ALA 69 8.033 0.369 -4.613 562 HA ALA 69 HA ALA 69 6.100 -1.560 -5.648 563 1HB ALA 69 HB1 ALA 69 8.161 -2.762 -5.973 564 2HB ALA 69 HB2 ALA 69 7.353 -3.440 -4.558 565 3HB ALA 69 HB3 ALA 69 8.717 -2.342 -4.353 566 H LEU 70 HN LEU 70 4.637 -2.223 -4.097 567 HA LEU 70 HA LEU 70 5.013 -1.079 -1.400 568 1HB LEU 70 HB2 LEU 70 3.083 -0.258 -2.910 569 2HB LEU 70 HB1 LEU 70 2.348 -1.822 -2.573 570 HG LEU 70 HG LEU 70 3.342 0.010 -0.389 571 1HD1 LEU 70 HD11 LEU 70 1.584 1.350 -0.826 572 2HD1 LEU 70 HD12 LEU 70 0.535 0.000 -0.394 573 3HD1 LEU 70 HD13 LEU 70 0.992 0.257 -2.077 574 1HD2 LEU 70 HD21 LEU 70 1.912 -2.593 -0.573 575 2HD2 LEU 70 HD22 LEU 70 1.359 -1.473 0.668 576 3HD2 LEU 70 HD23 LEU 70 3.036 -2.009 0.653 577 H VAL 71 HN VAL 71 5.086 -2.456 0.292 578 HA VAL 71 HA VAL 71 4.190 -5.229 -0.193 579 HB VAL 71 HB VAL 71 6.588 -4.380 1.437 580 1HG1 VAL 71 HG11 VAL 71 6.735 -6.535 2.105 581 2HG1 VAL 71 HG12 VAL 71 6.375 -7.144 0.490 582 3HG1 VAL 71 HG13 VAL 71 5.060 -6.690 1.573 583 1HG2 VAL 71 HG21 VAL 71 6.330 -5.488 -1.376 584 2HG2 VAL 71 HG22 VAL 71 7.840 -5.520 -0.464 585 3HG2 VAL 71 HG23 VAL 71 7.097 -3.977 -0.885 586 H LYS 72 HN LYS 72 2.692 -5.924 1.146 587 HA LYS 72 HA LYS 72 2.173 -4.488 3.658 588 1HB LYS 72 HB2 LYS 72 0.286 -5.016 2.074 589 2HB LYS 72 HB1 LYS 72 0.565 -6.727 2.395 590 1HG LYS 72 HG2 LYS 72 0.450 -5.804 4.936 591 2HG LYS 72 HG1 LYS 72 -0.619 -4.640 4.150 592 1HD LYS 72 HD2 LYS 72 -1.749 -6.682 3.060 593 2HD LYS 72 HD1 LYS 72 -0.880 -7.642 4.260 594 1HE LYS 72 HE2 LYS 72 -1.984 -5.563 5.746 595 2HE LYS 72 HE1 LYS 72 -3.252 -5.984 4.594 596 1HZ LYS 72 HZ1 LYS 72 -1.831 -8.158 5.944 597 2HZ LYS 72 HZ2 LYS 72 -3.445 -8.078 5.420 598 3HZ LYS 72 HZ3 LYS 72 -2.969 -7.279 6.842 599 H ILE 73 HN ILE 73 2.721 -5.341 5.603 600 HA ILE 73 HA ILE 73 3.866 -8.053 5.567 601 HB ILE 73 HB ILE 73 4.616 -7.168 7.973 602 1HG1 ILE 73 HG12 ILE 73 3.309 -4.969 7.194 603 2HG1 ILE 73 HG11 ILE 73 4.756 -4.878 8.189 604 1HG2 ILE 73 HG21 ILE 73 6.169 -7.946 6.308 605 2HG2 ILE 73 HG22 ILE 73 6.709 -6.346 6.816 606 3HG2 ILE 73 HG23 ILE 73 5.859 -6.545 5.283 607 1HD1 ILE 73 HD11 ILE 73 4.865 -4.814 5.167 608 2HD1 ILE 73 HD12 ILE 73 6.136 -4.372 6.308 609 3HD1 ILE 73 HD13 ILE 73 4.709 -3.349 6.136 610 H GLY 74 HN GLY 74 1.175 -6.246 6.819 611 1HA GLY 74 HA2 GLY 74 -0.506 -8.170 7.489 612 2HA GLY 74 HA1 GLY 74 0.618 -8.304 8.834 613 HA PRO 75 HA PRO 75 -0.506 -8.628 10.663 614 1HB PRO 75 HB2 PRO 75 -3.316 -8.780 11.229 615 2HB PRO 75 HB1 PRO 75 -1.982 -8.549 12.368 616 1HG PRO 75 HG2 PRO 75 -3.903 -6.645 11.464 617 2HG PRO 75 HG1 PRO 75 -2.612 -6.436 12.650 618 1HD PRO 75 HD2 PRO 75 -2.743 -5.336 10.025 619 2HD PRO 75 HD1 PRO 75 -1.397 -5.224 11.176 620 H GLY 76 HN GLY 76 -1.379 -10.785 10.179 621 1HA GLY 76 HA2 GLY 76 -2.677 -12.293 8.889 622 2HA GLY 76 HA1 GLY 76 -3.104 -10.970 7.812 623 H SER 77 HN SER 77 -2.545 -12.504 6.108 624 HA SER 77 HA SER 77 0.067 -13.530 5.751 625 1HB SER 77 HB2 SER 77 -1.556 -14.605 4.475 626 2HB SER 77 HB1 SER 77 -2.286 -13.094 3.940 627 HG SER 77 HG SER 77 0.328 -13.262 3.238 628 H ARG 78 HN ARG 78 1.558 -12.961 4.046 629 HA ARG 78 HA ARG 78 1.957 -10.056 3.912 630 1HB ARG 78 HB2 ARG 78 3.806 -11.527 4.717 631 2HB ARG 78 HB1 ARG 78 3.837 -12.297 3.130 632 1HG ARG 78 HG2 ARG 78 4.321 -10.118 2.078 633 2HG ARG 78 HG1 ARG 78 4.291 -9.347 3.664 634 1HD ARG 78 HD2 ARG 78 6.598 -9.778 3.110 635 2HD ARG 78 HD1 ARG 78 6.129 -10.909 4.377 636 HE ARG 78 HE ARG 78 6.500 -12.631 2.872 637 1HH1 ARG 78 HH11 ARG 78 6.309 -9.590 1.244 638 2HH1 ARG 78 HH12 ARG 78 6.550 -10.262 -0.333 639 1HH2 ARG 78 HH21 ARG 78 6.694 -13.536 0.790 640 2HH2 ARG 78 HH22 ARG 78 6.764 -12.494 -0.591 641 H GLN 79 HN GLN 79 2.211 -8.951 1.967 642 HA GLN 79 HA GLN 79 1.791 -10.458 -0.526 643 1HB GLN 79 HB2 GLN 79 0.185 -8.011 0.255 644 2HB GLN 79 HB1 GLN 79 0.061 -8.904 -1.262 645 1HG GLN 79 HG2 GLN 79 -0.592 -10.935 0.023 646 2HG GLN 79 HG1 GLN 79 -0.554 -9.980 1.505 647 1HE2 GLN 79 HE21 GLN 79 -2.487 -10.817 -1.251 648 2HE2 GLN 79 HE22 GLN 79 -3.784 -9.773 -0.915 649 H VAL 80 HN VAL 80 2.532 -9.369 -2.408 650 HA VAL 80 HA VAL 80 4.175 -6.968 -1.874 651 HB VAL 80 HB VAL 80 4.902 -9.283 -3.684 652 1HG1 VAL 80 HG11 VAL 80 5.674 -6.632 -3.844 653 2HG1 VAL 80 HG12 VAL 80 6.595 -7.998 -4.472 654 3HG1 VAL 80 HG13 VAL 80 6.958 -7.351 -2.873 655 1HG2 VAL 80 HG21 VAL 80 4.997 -9.452 -1.035 656 2HG2 VAL 80 HG22 VAL 80 6.453 -8.480 -1.250 657 3HG2 VAL 80 HG23 VAL 80 6.326 -10.059 -2.023 658 H LEU 81 HN LEU 81 3.574 -5.297 -3.082 659 HA LEU 81 HA LEU 81 2.292 -5.820 -5.697 660 1HB LEU 81 HB2 LEU 81 1.904 -3.339 -4.039 661 2HB LEU 81 HB1 LEU 81 0.925 -3.913 -5.386 662 HG LEU 81 HG LEU 81 1.215 -5.466 -2.805 663 1HD1 LEU 81 HD11 LEU 81 -0.441 -3.108 -3.494 664 2HD1 LEU 81 HD12 LEU 81 0.072 -3.699 -1.914 665 3HD1 LEU 81 HD13 LEU 81 -1.301 -4.445 -2.731 666 1HD2 LEU 81 HD21 LEU 81 -1.026 -5.511 -4.835 667 2HD2 LEU 81 HD22 LEU 81 -0.643 -6.714 -3.601 668 3HD2 LEU 81 HD23 LEU 81 0.398 -6.537 -5.007 669 H SER 82 HN SER 82 3.326 -4.978 -7.442 670 HA SER 82 HA SER 82 4.947 -2.597 -7.166 671 1HB SER 82 HB2 SER 82 6.589 -4.208 -6.471 672 2HB SER 82 HB1 SER 82 6.215 -5.252 -7.838 673 HG SER 82 HG SER 82 7.043 -3.716 -9.207 674 H GLY 83 HN GLY 83 6.009 -2.013 -9.227 675 1HA GLY 83 HA2 GLY 83 6.077 -1.989 -11.594 676 2HA GLY 83 HA1 GLY 83 4.722 -3.111 -11.625 677 H ILE 84 HN ILE 84 5.202 0.035 -10.071 678 HA ILE 84 HA ILE 84 3.789 1.845 -9.903 679 HB ILE 84 HB ILE 84 3.488 2.986 -11.991 680 1HG1 ILE 84 HG12 ILE 84 4.128 0.367 -13.382 681 2HG1 ILE 84 HG11 ILE 84 2.488 0.987 -13.187 682 1HG2 ILE 84 HG21 ILE 84 5.963 1.238 -12.075 683 2HG2 ILE 84 HG22 ILE 84 5.800 2.745 -11.171 684 3HG2 ILE 84 HG23 ILE 84 5.759 2.764 -12.935 685 1HD1 ILE 84 HD11 ILE 84 3.106 3.034 -14.402 686 2HD1 ILE 84 HD12 ILE 84 3.433 1.608 -15.388 687 3HD1 ILE 84 HD13 ILE 84 4.758 2.442 -14.574 688 H ASP 85 HN ASP 85 2.487 -1.044 -10.446 689 HA ASP 85 HA ASP 85 -0.209 -0.090 -11.129 690 1HB ASP 85 HB2 ASP 85 -0.812 -2.373 -11.428 691 2HB ASP 85 HB1 ASP 85 0.785 -2.207 -12.154 692 H LEU 86 HN LEU 86 1.541 0.093 -8.545 693 HA LEU 86 HA LEU 86 0.481 -1.280 -6.424 694 1HB LEU 86 HB2 LEU 86 1.238 1.648 -6.461 695 2HB LEU 86 HB1 LEU 86 1.191 0.596 -5.047 696 HG LEU 86 HG LEU 86 2.976 0.230 -7.466 697 1HD1 LEU 86 HD11 LEU 86 4.011 0.624 -4.697 698 2HD1 LEU 86 HD12 LEU 86 3.358 2.041 -5.519 699 3HD1 LEU 86 HD13 LEU 86 4.696 1.143 -6.236 700 1HD2 LEU 86 HD21 LEU 86 3.950 -1.430 -5.582 701 2HD2 LEU 86 HD22 LEU 86 2.748 -1.945 -6.760 702 3HD2 LEU 86 HD23 LEU 86 2.248 -1.472 -5.136 703 H THR 87 HN THR 87 -0.790 1.710 -7.879 704 HA THR 87 HA THR 87 -2.893 2.017 -6.010 705 HB THR 87 HB THR 87 -3.756 3.696 -7.499 706 HG1 THR 87 HG1 THR 87 -2.092 3.374 -9.580 707 1HG2 THR 87 HG21 THR 87 -0.923 4.029 -8.248 708 2HG2 THR 87 HG22 THR 87 -1.191 3.707 -6.534 709 3HG2 THR 87 HG23 THR 87 -1.970 5.090 -7.305 710 H ASP 88 HN ASP 88 -2.723 0.389 -9.155 711 HA ASP 88 HA ASP 88 -5.518 -0.218 -9.226 712 1HB ASP 88 HB2 ASP 88 -3.140 -1.401 -10.677 713 2HB ASP 88 HB1 ASP 88 -4.813 -1.839 -11.005 714 H GLN 89 HN GLN 89 -2.585 -1.976 -8.302 715 HA GLN 89 HA GLN 89 -3.945 -4.372 -7.533 716 1HB GLN 89 HB2 GLN 89 -1.318 -3.667 -7.964 717 2HB GLN 89 HB1 GLN 89 -1.381 -3.829 -6.208 718 1HG GLN 89 HG2 GLN 89 -2.401 -6.065 -6.451 719 2HG GLN 89 HG1 GLN 89 -2.327 -5.906 -8.205 720 1HE2 GLN 89 HE21 GLN 89 0.389 -4.335 -7.307 721 2HE2 GLN 89 HE22 GLN 89 1.496 -5.624 -7.278 722 H LEU 90 HN LEU 90 -2.566 -1.619 -5.705 723 HA LEU 90 HA LEU 90 -3.253 -2.492 -3.136 724 1HB LEU 90 HB2 LEU 90 -1.777 -0.574 -3.559 725 2HB LEU 90 HB1 LEU 90 -3.149 0.346 -4.181 726 HG LEU 90 HG LEU 90 -4.283 -0.047 -1.942 727 1HD1 LEU 90 HD11 LEU 90 -1.537 -1.164 -1.387 728 2HD1 LEU 90 HD12 LEU 90 -3.109 -1.870 -1.009 729 3HD1 LEU 90 HD13 LEU 90 -2.520 -0.483 -0.090 730 1HD2 LEU 90 HD21 LEU 90 -3.482 1.974 -1.279 731 2HD2 LEU 90 HD22 LEU 90 -2.538 1.909 -2.767 732 3HD2 LEU 90 HD23 LEU 90 -1.814 1.402 -1.242 733 H ALA 91 HN ALA 91 -5.099 -0.472 -5.411 734 HA ALA 91 HA ALA 91 -7.328 -0.002 -3.781 735 1HB ALA 91 HB1 ALA 91 -8.542 0.444 -5.863 736 2HB ALA 91 HB2 ALA 91 -7.264 -0.341 -6.790 737 3HB ALA 91 HB3 ALA 91 -6.932 1.159 -5.925 738 H ASN 92 HN ASN 92 -6.500 -2.721 -5.864 739 HA ASN 92 HA ASN 92 -9.026 -4.059 -5.459 740 1HB ASN 92 HB2 ASN 92 -6.416 -4.867 -6.740 741 2HB ASN 92 HB1 ASN 92 -7.807 -5.935 -6.630 742 1HD2 ASN 92 HD21 ASN 92 -6.834 -5.127 -9.175 743 2HD2 ASN 92 HD22 ASN 92 -7.971 -4.091 -9.893 744 H GLN 93 HN GLN 93 -5.736 -4.273 -4.223 745 HA GLN 93 HA GLN 93 -6.213 -6.649 -2.693 746 1HB GLN 93 HB2 GLN 93 -3.963 -4.639 -2.717 747 2HB GLN 93 HB1 GLN 93 -3.968 -6.088 -1.715 748 1HG GLN 93 HG2 GLN 93 -4.271 -6.083 -4.728 749 2HG GLN 93 HG1 GLN 93 -2.774 -6.431 -3.873 750 1HE2 GLN 93 HE21 GLN 93 -5.066 -8.058 -5.462 751 2HE2 GLN 93 HE22 GLN 93 -5.174 -9.461 -4.516 752 H LEU 94 HN LEU 94 -6.235 -3.190 -2.041 753 HA LEU 94 HA LEU 94 -6.140 -3.204 0.721 754 1HB LEU 94 HB2 LEU 94 -6.076 -1.102 -0.255 755 2HB LEU 94 HB1 LEU 94 -7.475 -1.407 -1.270 756 HG LEU 94 HG LEU 94 -8.950 -1.359 0.686 757 1HD1 LEU 94 HD11 LEU 94 -8.008 -0.766 2.908 758 2HD1 LEU 94 HD12 LEU 94 -6.384 -0.863 2.228 759 3HD1 LEU 94 HD13 LEU 94 -7.387 -2.309 2.326 760 1HD2 LEU 94 HD21 LEU 94 -8.022 0.787 -0.496 761 2HD2 LEU 94 HD22 LEU 94 -7.144 1.027 1.014 762 3HD2 LEU 94 HD23 LEU 94 -8.907 0.965 1.020 763 HA PRO 95 HA PRO 95 -11.040 -3.633 0.848 764 1HB PRO 95 HB2 PRO 95 -11.710 -5.211 -1.457 765 2HB PRO 95 HB1 PRO 95 -12.282 -3.586 -1.048 766 1HG PRO 95 HG2 PRO 95 -10.246 -4.410 -2.958 767 2HG PRO 95 HG1 PRO 95 -11.104 -2.870 -2.816 768 1HD PRO 95 HD2 PRO 95 -8.440 -3.205 -2.197 769 2HD PRO 95 HD1 PRO 95 -9.479 -1.936 -1.513 770 H GLN 96 HN GLN 96 -9.077 -6.030 -0.893 771 HA GLN 96 HA GLN 96 -10.246 -8.361 0.161 772 1HB GLN 96 HB2 GLN 96 -7.427 -7.864 -0.818 773 2HB GLN 96 HB1 GLN 96 -8.117 -9.457 -0.507 774 1HG GLN 96 HG2 GLN 96 -9.908 -8.988 -2.150 775 2HG GLN 96 HG1 GLN 96 -9.173 -7.424 -2.482 776 1HE2 GLN 96 HE21 GLN 96 -8.369 -7.738 -4.602 777 2HE2 GLN 96 HE22 GLN 96 -7.283 -8.972 -5.023 778 H TRP 97 HN TRP 97 -7.662 -6.293 1.370 779 HA TRP 97 HA TRP 97 -6.761 -8.003 3.435 780 1HB TRP 97 HB2 TRP 97 -6.767 -4.976 3.400 781 2HB TRP 97 HB1 TRP 97 -5.743 -6.013 4.392 782 HD1 TRP 97 HD1 TRP 97 -5.658 -7.988 1.544 783 HE1 TRP 97 HE1 TRP 97 -3.769 -7.382 -0.108 784 HE3 TRP 97 HE3 TRP 97 -4.520 -3.294 3.197 785 HZ2 TRP 97 HZ2 TRP 97 -2.013 -5.190 -0.651 786 HZ3 TRP 97 HZ3 TRP 97 -2.739 -1.968 2.096 787 HH2 TRP 97 HH2 TRP 97 -1.485 -2.910 0.175 788 H LEU 98 HN LEU 98 -9.269 -5.503 3.323 789 HA LEU 98 HA LEU 98 -9.974 -5.682 6.078 790 1HB LEU 98 HB2 LEU 98 -11.638 -4.756 3.722 791 2HB LEU 98 HB1 LEU 98 -11.944 -4.404 5.421 792 HG LEU 98 HG LEU 98 -9.531 -3.533 3.810 793 1HD1 LEU 98 HD11 LEU 98 -11.936 -2.114 4.965 794 2HD1 LEU 98 HD12 LEU 98 -11.365 -2.110 3.296 795 3HD1 LEU 98 HD13 LEU 98 -10.458 -1.250 4.540 796 1HD2 LEU 98 HD21 LEU 98 -9.206 -2.202 6.069 797 2HD2 LEU 98 HD22 LEU 98 -8.622 -3.860 5.931 798 3HD2 LEU 98 HD23 LEU 98 -10.149 -3.528 6.748 799 H VAL 99 HN VAL 99 -11.035 -7.252 3.119 800 HA VAL 99 HA VAL 99 -13.266 -8.630 4.233 801 HB VAL 99 HB VAL 99 -11.588 -9.230 1.785 802 1HG1 VAL 99 HG11 VAL 99 -12.696 -11.238 2.091 803 2HG1 VAL 99 HG12 VAL 99 -13.936 -10.343 1.213 804 3HG1 VAL 99 HG13 VAL 99 -14.030 -10.490 2.968 805 1HG2 VAL 99 HG21 VAL 99 -14.199 -8.303 1.167 806 2HG2 VAL 99 HG22 VAL 99 -12.671 -7.467 0.892 807 3HG2 VAL 99 HG23 VAL 99 -13.558 -7.215 2.396 808 H GLN 100 HN GLN 100 -9.852 -9.380 3.830 809 HA GLN 100 HA GLN 100 -8.535 -11.069 4.644 810 1HB GLN 100 HB2 GLN 100 -10.750 -11.151 6.701 811 2HB GLN 100 HB1 GLN 100 -9.238 -12.047 6.841 812 1HG GLN 100 HG2 GLN 100 -7.979 -9.915 6.675 813 2HG GLN 100 HG1 GLN 100 -9.506 -9.038 6.599 814 1HE2 GLN 100 HE21 GLN 100 -7.471 -8.785 8.728 815 2HE2 GLN 100 HE22 GLN 100 -8.230 -9.257 10.171 816 H GLN 101 HN GLN 101 -8.420 -12.708 3.246 817 HA GLN 101 HA GLN 101 -10.693 -14.512 2.881 818 1HB GLN 101 HB2 GLN 101 -7.994 -14.365 1.515 819 2HB GLN 101 HB1 GLN 101 -9.266 -15.515 1.104 820 1HG GLN 101 HG2 GLN 101 -10.795 -13.618 0.623 821 2HG GLN 101 HG1 GLN 101 -9.481 -12.494 0.965 822 1HE2 GLN 101 HE21 GLN 101 -8.002 -15.138 -0.399 823 2HE2 GLN 101 HE22 GLN 101 -8.009 -14.653 -2.025 824 H GLU 102 HN GLU 102 -10.428 -16.821 3.050 825 HA GLU 102 HA GLU 102 -9.296 -17.671 5.469 826 1HB GLU 102 HB2 GLU 102 -10.129 -19.230 3.015 827 2HB GLU 102 HB1 GLU 102 -9.658 -19.985 4.538 828 1HG GLU 102 HG2 GLU 102 -11.939 -18.026 4.150 829 2HG GLU 102 HG1 GLU 102 -12.096 -19.758 4.434 830 H GLY 103 HN GLY 103 -7.978 -17.510 2.226 831 1HA GLY 103 HA2 GLY 103 -5.766 -17.631 1.536 832 2HA GLY 103 HA1 GLY 103 -5.297 -17.878 3.217 833 H ILE 104 HN ILE 104 -7.646 -19.776 1.417 834 HA ILE 104 HA ILE 104 -5.919 -22.149 1.767 835 HB ILE 104 HB ILE 104 -8.036 -22.226 3.014 836 1HG1 ILE 104 HG12 ILE 104 -8.135 -24.052 0.594 837 2HG1 ILE 104 HG11 ILE 104 -7.047 -24.293 1.962 838 1HG2 ILE 104 HG21 ILE 104 -10.106 -21.831 2.057 839 2HG2 ILE 104 HG22 ILE 104 -9.578 -22.338 0.453 840 3HG2 ILE 104 HG23 ILE 104 -9.118 -20.752 1.073 841 1HD1 ILE 104 HD11 ILE 104 -8.873 -24.606 3.478 842 2HD1 ILE 104 HD12 ILE 104 -9.239 -25.592 2.062 843 3HD1 ILE 104 HD13 ILE 104 -10.044 -24.040 2.286 844 H PHE 105 HN PHE 105 -5.373 -23.358 0.032 845 HA PHE 105 HA PHE 105 -6.817 -23.561 -2.371 846 1HB PHE 105 HB2 PHE 105 -6.103 -21.158 -2.575 847 2HB PHE 105 HB1 PHE 105 -4.431 -21.718 -2.610 848 HD1 PHE 105 HD1 PHE 105 -3.496 -22.750 -4.565 849 HD2 PHE 105 HD2 PHE 105 -7.699 -21.880 -4.363 850 HE1 PHE 105 HE1 PHE 105 -3.717 -23.249 -6.984 851 HE2 PHE 105 HE2 PHE 105 -7.919 -22.380 -6.782 852 HZ PHE 105 HZ PHE 105 -5.928 -23.065 -8.093 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -4.874 0.092 32.524 2 2H GLY 1 HT2 GLY 1 -4.235 -0.708 33.880 3 3H GLY 1 HT3 GLY 1 -4.419 0.980 33.895 4 1HA GLY 1 HA2 GLY 1 -6.166 0.032 35.197 5 2HA GLY 1 HA1 GLY 1 -6.849 0.691 33.708 6 H SER 2 HN SER 2 -7.337 -1.741 35.648 7 HA SER 2 HA SER 2 -7.322 -3.947 33.735 8 1HB SER 2 HB2 SER 2 -7.858 -5.345 35.570 9 2HB SER 2 HB1 SER 2 -6.728 -4.158 36.217 10 HG SER 2 HG SER 2 -9.273 -3.253 36.322 11 H SER 3 HN SER 3 -9.234 -1.380 34.058 12 HA SER 3 HA SER 3 -11.834 -2.630 34.169 13 1HB SER 3 HB2 SER 3 -12.712 -0.441 33.947 14 2HB SER 3 HB1 SER 3 -11.253 -0.255 34.914 15 HG SER 3 HG SER 3 -10.276 0.707 33.277 16 H LEU 4 HN LEU 4 -9.518 -2.604 31.819 17 HA LEU 4 HA LEU 4 -9.524 -2.947 29.541 18 1HB LEU 4 HB2 LEU 4 -10.891 -4.891 30.264 19 2HB LEU 4 HB1 LEU 4 -12.344 -3.909 30.080 20 HG LEU 4 HG LEU 4 -11.594 -3.500 27.668 21 1HD1 LEU 4 HD11 LEU 4 -10.180 -5.816 27.147 22 2HD1 LEU 4 HD12 LEU 4 -9.453 -5.257 28.653 23 3HD1 LEU 4 HD13 LEU 4 -9.480 -4.201 27.241 24 1HD2 LEU 4 HD21 LEU 4 -12.603 -5.561 26.905 25 2HD2 LEU 4 HD22 LEU 4 -13.393 -5.110 28.416 26 3HD2 LEU 4 HD23 LEU 4 -12.173 -6.384 28.404 27 H SER 5 HN SER 5 -10.025 -1.888 27.630 28 HA SER 5 HA SER 5 -11.643 0.522 27.947 29 1HB SER 5 HB2 SER 5 -9.893 -0.359 25.642 30 2HB SER 5 HB1 SER 5 -10.634 1.226 25.832 31 HG SER 5 HG SER 5 -8.355 0.262 26.891 32 HA PRO 6 HA PRO 6 -15.203 -1.196 25.961 33 1HB PRO 6 HB2 PRO 6 -15.884 1.284 24.681 34 2HB PRO 6 HB1 PRO 6 -16.614 0.560 26.120 35 1HG PRO 6 HG2 PRO 6 -14.824 2.792 25.935 36 2HG PRO 6 HG1 PRO 6 -15.667 2.156 27.352 37 1HD PRO 6 HD2 PRO 6 -12.891 1.996 26.825 38 2HD PRO 6 HD1 PRO 6 -13.776 1.161 28.115 39 H GLN 7 HN GLN 7 -15.629 -2.124 23.993 40 HA GLN 7 HA GLN 7 -15.120 -2.888 21.873 41 1HB GLN 7 HB2 GLN 7 -16.454 -0.837 21.420 42 2HB GLN 7 HB1 GLN 7 -14.953 0.087 21.339 43 1HG GLN 7 HG2 GLN 7 -14.174 -1.444 19.515 44 2HG GLN 7 HG1 GLN 7 -15.763 -2.211 19.537 45 1HE2 GLN 7 HE21 GLN 7 -17.298 -1.286 18.164 46 2HE2 GLN 7 HE22 GLN 7 -17.195 0.279 17.513 47 H ALA 8 HN ALA 8 -13.053 -3.779 22.533 48 HA ALA 8 HA ALA 8 -10.633 -2.304 22.404 49 1HB ALA 8 HB1 ALA 8 -11.425 -5.123 22.698 50 2HB ALA 8 HB2 ALA 8 -10.151 -4.216 23.514 51 3HB ALA 8 HB3 ALA 8 -9.867 -4.881 21.905 52 H LEU 9 HN LEU 9 -9.362 -1.762 20.746 53 HA LEU 9 HA LEU 9 -10.255 -2.375 18.037 54 1HB LEU 9 HB2 LEU 9 -8.289 -0.792 17.488 55 2HB LEU 9 HB1 LEU 9 -9.702 -0.105 18.292 56 HG LEU 9 HG LEU 9 -7.672 -1.206 20.128 57 1HD1 LEU 9 HD11 LEU 9 -6.435 1.126 19.753 58 2HD1 LEU 9 HD12 LEU 9 -7.024 0.899 18.105 59 3HD1 LEU 9 HD13 LEU 9 -5.973 -0.311 18.841 60 1HD2 LEU 9 HD21 LEU 9 -9.545 0.029 21.003 61 2HD2 LEU 9 HD22 LEU 9 -9.265 1.359 19.881 62 3HD2 LEU 9 HD23 LEU 9 -8.124 1.057 21.191 63 H ALA 10 HN ALA 10 -9.053 -3.453 16.494 64 HA ALA 10 HA ALA 10 -7.296 -5.503 17.409 65 1HB ALA 10 HB1 ALA 10 -7.362 -4.696 14.533 66 2HB ALA 10 HB2 ALA 10 -8.841 -5.327 15.258 67 3HB ALA 10 HB3 ALA 10 -7.375 -6.309 15.248 68 H GLN 11 HN GLN 11 -5.238 -5.653 15.617 69 HA GLN 11 HA GLN 11 -3.448 -3.604 16.637 70 1HB GLN 11 HB2 GLN 11 -3.085 -6.154 15.095 71 2HB GLN 11 HB1 GLN 11 -1.772 -4.982 15.190 72 1HG GLN 11 HG2 GLN 11 -3.171 -5.772 17.717 73 2HG GLN 11 HG1 GLN 11 -2.006 -6.889 17.007 74 1HE2 GLN 11 HE21 GLN 11 -0.051 -5.166 16.009 75 2HE2 GLN 11 HE22 GLN 11 0.638 -4.278 17.280 76 HA PRO 12 HA PRO 12 -3.590 -0.858 13.184 77 1HB PRO 12 HB2 PRO 12 -0.750 -0.431 13.159 78 2HB PRO 12 HB1 PRO 12 -2.004 0.626 13.818 79 1HG PRO 12 HG2 PRO 12 -0.151 -1.087 15.207 80 2HG PRO 12 HG1 PRO 12 -1.252 0.133 15.859 81 1HD PRO 12 HD2 PRO 12 -1.514 -2.647 16.150 82 2HD PRO 12 HD1 PRO 12 -2.772 -1.440 16.480 83 H LEU 13 HN LEU 13 -2.962 -0.754 10.933 84 HA LEU 13 HA LEU 13 -2.031 -3.320 9.910 85 1HB LEU 13 HB2 LEU 13 -4.046 -2.041 8.975 86 2HB LEU 13 HB1 LEU 13 -2.865 -0.944 8.263 87 HG LEU 13 HG LEU 13 -2.811 -3.939 7.845 88 1HD1 LEU 13 HD11 LEU 13 -3.546 -3.023 5.457 89 2HD1 LEU 13 HD12 LEU 13 -4.253 -1.737 6.436 90 3HD1 LEU 13 HD13 LEU 13 -4.745 -3.411 6.692 91 1HD2 LEU 13 HD21 LEU 13 -0.711 -3.313 7.188 92 2HD2 LEU 13 HD22 LEU 13 -1.167 -1.618 7.008 93 3HD2 LEU 13 HD23 LEU 13 -1.548 -2.772 5.733 94 H LEU 14 HN LEU 14 -0.012 -3.678 9.231 95 HA LEU 14 HA LEU 14 1.798 -1.386 9.113 96 1HB LEU 14 HB2 LEU 14 2.377 -4.354 9.159 97 2HB LEU 14 HB1 LEU 14 3.556 -3.055 9.325 98 HG LEU 14 HG LEU 14 1.269 -3.678 11.206 99 1HD1 LEU 14 HD11 LEU 14 3.355 -3.710 12.799 100 2HD1 LEU 14 HD12 LEU 14 4.254 -3.986 11.305 101 3HD1 LEU 14 HD13 LEU 14 2.998 -5.121 11.803 102 1HD2 LEU 14 HD21 LEU 14 3.075 -1.290 10.927 103 2HD2 LEU 14 HD22 LEU 14 2.490 -1.764 12.523 104 3HD2 LEU 14 HD23 LEU 14 1.342 -1.339 11.252 105 H LEU 15 HN LEU 15 2.044 -0.492 7.228 106 HA LEU 15 HA LEU 15 2.205 -2.183 4.810 107 1HB LEU 15 HB2 LEU 15 0.066 -0.795 5.131 108 2HB LEU 15 HB1 LEU 15 1.083 0.625 4.912 109 HG LEU 15 HG LEU 15 -0.025 -0.099 2.809 110 1HD1 LEU 15 HD11 LEU 15 2.846 -0.678 2.324 111 2HD1 LEU 15 HD12 LEU 15 2.474 0.835 3.148 112 3HD1 LEU 15 HD13 LEU 15 1.787 0.506 1.560 113 1HD2 LEU 15 HD21 LEU 15 0.139 -2.220 1.969 114 2HD2 LEU 15 HD22 LEU 15 0.452 -2.640 3.649 115 3HD2 LEU 15 HD23 LEU 15 1.799 -2.424 2.527 116 H GLN 16 HN GLN 16 4.027 -1.858 3.580 117 HA GLN 16 HA GLN 16 5.575 0.602 4.129 118 1HB GLN 16 HB2 GLN 16 6.529 -2.245 4.101 119 2HB GLN 16 HB1 GLN 16 7.633 -0.913 3.754 120 1HG GLN 16 HG2 GLN 16 7.005 0.155 5.891 121 2HG GLN 16 HG1 GLN 16 5.934 -1.201 6.249 122 1HE2 GLN 16 HE21 GLN 16 8.381 -2.685 4.660 123 2HE2 GLN 16 HE22 GLN 16 9.415 -3.039 5.958 124 H LEU 17 HN LEU 17 6.638 1.525 2.455 125 HA LEU 17 HA LEU 17 6.158 0.366 -0.222 126 1HB LEU 17 HB2 LEU 17 4.798 2.382 0.228 127 2HB LEU 17 HB1 LEU 17 6.273 3.285 0.562 128 HG LEU 17 HG LEU 17 7.059 2.577 -1.772 129 1HD1 LEU 17 HD11 LEU 17 4.255 1.553 -1.718 130 2HD1 LEU 17 HD12 LEU 17 5.673 0.900 -2.538 131 3HD1 LEU 17 HD13 LEU 17 4.825 2.291 -3.213 132 1HD2 LEU 17 HD21 LEU 17 6.410 4.852 -1.414 133 2HD2 LEU 17 HD22 LEU 17 4.703 4.420 -1.314 134 3HD2 LEU 17 HD23 LEU 17 5.547 4.327 -2.860 135 H PHE 18 HN PHE 18 7.910 0.061 -1.478 136 HA PHE 18 HA PHE 18 10.498 1.083 -0.499 137 1HB PHE 18 HB2 PHE 18 9.788 -1.158 -2.407 138 2HB PHE 18 HB1 PHE 18 11.440 -0.616 -2.108 139 HD1 PHE 18 HD1 PHE 18 8.436 -2.140 -0.546 140 HD2 PHE 18 HD2 PHE 18 12.585 -1.147 -0.074 141 HE1 PHE 18 HE1 PHE 18 8.545 -3.550 1.493 142 HE2 PHE 18 HE2 PHE 18 12.703 -2.554 1.955 143 HZ PHE 18 HZ PHE 18 10.676 -3.756 2.745 144 H VAL 19 HN VAL 19 11.314 2.837 -1.498 145 HA VAL 19 HA VAL 19 10.715 3.174 -4.378 146 HB VAL 19 HB VAL 19 10.236 5.502 -4.089 147 1HG1 VAL 19 HG11 VAL 19 8.255 5.390 -2.582 148 2HG1 VAL 19 HG12 VAL 19 8.843 3.850 -1.957 149 3HG1 VAL 19 HG13 VAL 19 8.356 3.987 -3.647 150 1HG2 VAL 19 HG21 VAL 19 10.111 6.136 -1.456 151 2HG2 VAL 19 HG22 VAL 19 11.534 6.441 -2.451 152 3HG2 VAL 19 HG23 VAL 19 11.464 5.006 -1.431 153 H ASP 20 HN ASP 20 12.173 4.583 -5.520 154 HA ASP 20 HA ASP 20 14.907 4.434 -4.445 155 1HB ASP 20 HB2 ASP 20 15.651 4.668 -6.736 156 2HB ASP 20 HB1 ASP 20 14.426 3.402 -6.664 157 H THR 21 HN THR 21 12.671 6.519 -3.984 158 HA THR 21 HA THR 21 12.731 8.741 -3.368 159 HB THR 21 HB THR 21 14.747 9.928 -3.272 160 HG1 THR 21 HG1 THR 21 16.533 8.885 -4.676 161 1HG2 THR 21 HG21 THR 21 14.686 7.291 -2.432 162 2HG2 THR 21 HG22 THR 21 15.910 8.481 -1.982 163 3HG2 THR 21 HG23 THR 21 16.200 7.386 -3.334 164 H ARG 22 HN ARG 22 12.528 7.533 -6.378 165 HA ARG 22 HA ARG 22 12.816 9.913 -7.960 166 1HB ARG 22 HB2 ARG 22 11.859 8.640 -9.763 167 2HB ARG 22 HB1 ARG 22 12.961 7.581 -8.884 168 1HG ARG 22 HG2 ARG 22 11.025 6.671 -7.610 169 2HG ARG 22 HG1 ARG 22 9.949 7.681 -8.575 170 1HD ARG 22 HD2 ARG 22 10.359 6.478 -10.537 171 2HD ARG 22 HD1 ARG 22 11.882 5.829 -9.935 172 HE ARG 22 HE ARG 22 9.199 4.832 -9.312 173 1HH1 ARG 22 HH21 ARG 22 11.774 3.370 -10.334 174 2HH1 ARG 22 HH22 ARG 22 12.146 2.405 -8.945 175 1HH2 ARG 22 HH11 ARG 22 10.048 4.175 -6.828 176 2HH2 ARG 22 HH12 ARG 22 11.169 2.861 -6.960 177 HA PRO 23 HA PRO 23 9.139 12.120 -7.037 178 1HB PRO 23 HB2 PRO 23 8.431 12.607 -9.774 179 2HB PRO 23 HB1 PRO 23 9.216 13.710 -8.635 180 1HG PRO 23 HG2 PRO 23 10.360 12.193 -10.814 181 2HG PRO 23 HG1 PRO 23 11.061 13.519 -9.878 182 1HD PRO 23 HD2 PRO 23 11.866 10.858 -9.718 183 2HD PRO 23 HD1 PRO 23 12.181 12.092 -8.481 184 H LEU 24 HN LEU 24 8.932 9.763 -9.692 185 HA LEU 24 HA LEU 24 6.164 9.526 -9.888 186 1HB LEU 24 HB2 LEU 24 7.776 8.428 -11.419 187 2HB LEU 24 HB1 LEU 24 8.204 7.298 -10.132 188 HG LEU 24 HG LEU 24 5.672 6.782 -10.013 189 1HD1 LEU 24 HD11 LEU 24 4.281 7.707 -11.532 190 2HD1 LEU 24 HD12 LEU 24 5.392 7.370 -12.859 191 3HD1 LEU 24 HD13 LEU 24 5.588 8.833 -11.896 192 1HD2 LEU 24 HD21 LEU 24 7.276 5.170 -10.863 193 2HD2 LEU 24 HD22 LEU 24 7.373 6.023 -12.403 194 3HD2 LEU 24 HD23 LEU 24 5.886 5.193 -11.949 195 H SER 25 HN SER 25 8.424 7.883 -7.690 196 HA SER 25 HA SER 25 6.519 6.225 -6.416 197 1HB SER 25 HB2 SER 25 9.057 7.354 -5.215 198 2HB SER 25 HB1 SER 25 8.189 5.910 -4.705 199 HG SER 25 HG SER 25 9.382 4.914 -6.110 200 H GLN 26 HN GLN 26 7.786 9.455 -5.698 201 HA GLN 26 HA GLN 26 6.314 9.877 -3.305 202 1HB GLN 26 HB2 GLN 26 7.371 11.850 -5.354 203 2HB GLN 26 HB1 GLN 26 6.757 12.288 -3.759 204 1HG GLN 26 HG2 GLN 26 8.497 10.928 -2.691 205 2HG GLN 26 HG1 GLN 26 9.090 10.419 -4.271 206 1HE2 GLN 26 HE21 GLN 26 10.956 11.683 -2.698 207 2HE2 GLN 26 HE22 GLN 26 11.224 13.271 -3.236 208 H HIS 27 HN HIS 27 5.712 10.194 -6.695 209 HA HIS 27 HA HIS 27 3.271 11.630 -6.675 210 1HB HIS 27 HB2 HIS 27 4.979 10.784 -8.570 211 2HB HIS 27 HB1 HIS 27 3.790 9.492 -8.687 212 HD1 HIS 27 HD1 HIS 27 1.218 11.189 -8.166 213 HD2 HIS 27 HD2 HIS 27 4.293 12.251 -10.774 214 HE1 HIS 27 HE1 HIS 27 0.199 12.783 -9.853 215 H ILE 28 HN ILE 28 3.997 8.178 -7.005 216 HA ILE 28 HA ILE 28 1.341 7.244 -6.770 217 HB ILE 28 HB ILE 28 3.997 5.873 -6.299 218 1HG1 ILE 28 HG12 ILE 28 2.073 5.779 -8.644 219 2HG1 ILE 28 HG11 ILE 28 3.526 6.777 -8.591 220 1HG2 ILE 28 HG21 ILE 28 1.200 4.977 -5.970 221 2HG2 ILE 28 HG22 ILE 28 2.687 4.283 -5.323 222 3HG2 ILE 28 HG23 ILE 28 2.192 3.922 -6.977 223 1HD1 ILE 28 HD11 ILE 28 4.951 4.873 -8.488 224 2HD1 ILE 28 HD12 ILE 28 3.768 4.505 -9.742 225 3HD1 ILE 28 HD13 ILE 28 3.605 3.790 -8.137 226 H VAL 29 HN VAL 29 3.867 7.931 -4.407 227 HA VAL 29 HA VAL 29 2.791 6.602 -2.196 228 HB VAL 29 HB VAL 29 4.346 9.192 -2.345 229 1HG1 VAL 29 HG11 VAL 29 3.426 9.403 -0.233 230 2HG1 VAL 29 HG12 VAL 29 4.794 8.357 0.150 231 3HG1 VAL 29 HG13 VAL 29 3.185 7.665 -0.052 232 1HG2 VAL 29 HG21 VAL 29 5.624 6.893 -1.114 233 2HG2 VAL 29 HG22 VAL 29 6.163 7.853 -2.489 234 3HG2 VAL 29 HG23 VAL 29 5.067 6.495 -2.740 235 H GLN 30 HN GLN 30 2.137 9.856 -3.463 236 HA GLN 30 HA GLN 30 0.296 10.633 -1.469 237 1HB GLN 30 HB2 GLN 30 0.381 11.391 -4.406 238 2HB GLN 30 HB1 GLN 30 -0.588 12.206 -3.178 239 1HG GLN 30 HG2 GLN 30 2.433 11.964 -3.170 240 2HG GLN 30 HG1 GLN 30 1.514 13.415 -3.567 241 1HE2 GLN 30 HE21 GLN 30 0.795 14.721 -1.833 242 2HE2 GLN 30 HE22 GLN 30 1.009 14.312 -0.200 243 H ARG 31 HN ARG 31 -0.062 8.905 -4.541 244 HA ARG 31 HA ARG 31 -2.878 8.628 -4.457 245 1HB ARG 31 HB2 ARG 31 -0.774 6.859 -5.722 246 2HB ARG 31 HB1 ARG 31 -2.509 6.731 -6.019 247 1HG ARG 31 HG2 ARG 31 -2.499 9.128 -6.757 248 2HG ARG 31 HG1 ARG 31 -0.741 9.119 -6.612 249 1HD ARG 31 HD2 ARG 31 -0.729 7.137 -8.187 250 2HD ARG 31 HD1 ARG 31 -2.443 7.434 -8.455 251 HE ARG 31 HE ARG 31 -0.254 9.272 -9.210 252 1HH1 ARG 31 HH11 ARG 31 -3.256 10.132 -8.620 253 2HH1 ARG 31 HH12 ARG 31 -3.814 10.331 -10.249 254 1HH2 ARG 31 HH21 ARG 31 -1.098 8.698 -11.657 255 2HH2 ARG 31 HH22 ARG 31 -2.592 9.518 -11.968 256 H VAL 32 HN VAL 32 -0.225 6.654 -3.187 257 HA VAL 32 HA VAL 32 -1.836 4.521 -2.236 258 HB VAL 32 HB VAL 32 0.852 5.536 -1.264 259 1HG1 VAL 32 HG11 VAL 32 0.295 2.705 -0.899 260 2HG1 VAL 32 HG12 VAL 32 -0.881 3.700 -0.041 261 3HG1 VAL 32 HG13 VAL 32 0.841 3.895 0.281 262 1HG2 VAL 32 HG21 VAL 32 0.022 4.162 -3.648 263 2HG2 VAL 32 HG22 VAL 32 0.990 3.060 -2.669 264 3HG2 VAL 32 HG23 VAL 32 1.653 4.620 -3.160 265 H LYS 33 HN LYS 33 -0.437 7.362 -0.597 266 HA LYS 33 HA LYS 33 -1.674 6.937 1.897 267 1HB LYS 33 HB2 LYS 33 -0.651 9.440 0.562 268 2HB LYS 33 HB1 LYS 33 -1.217 9.381 2.228 269 1HG LYS 33 HG2 LYS 33 0.446 7.554 2.669 270 2HG LYS 33 HG1 LYS 33 1.079 7.804 1.041 271 1HD LYS 33 HD2 LYS 33 1.567 10.157 1.592 272 2HD LYS 33 HD1 LYS 33 0.940 9.903 3.220 273 1HE LYS 33 HE2 LYS 33 3.262 8.364 2.022 274 2HE LYS 33 HE1 LYS 33 3.433 9.743 3.109 275 1HZ LYS 33 HZ1 LYS 33 2.804 8.539 4.880 276 2HZ LYS 33 HZ2 LYS 33 3.289 7.214 3.934 277 3HZ LYS 33 HZ3 LYS 33 1.648 7.647 4.017 278 H ASN 34 HN ASN 34 -2.667 8.819 -0.944 279 HA ASN 34 HA ASN 34 -4.946 10.017 0.177 280 1HB ASN 34 HB2 ASN 34 -4.344 9.235 -2.683 281 2HB ASN 34 HB1 ASN 34 -5.665 10.285 -2.187 282 1HD2 ASN 34 HD21 ASN 34 -2.957 10.747 -3.717 283 2HD2 ASN 34 HD22 ASN 34 -2.308 12.110 -2.938 284 H ILE 35 HN ILE 35 -4.580 6.962 -1.616 285 HA ILE 35 HA ILE 35 -7.346 6.287 -1.555 286 HB ILE 35 HB ILE 35 -4.902 4.547 -1.894 287 1HG1 ILE 35 HG12 ILE 35 -6.872 5.499 -3.982 288 2HG1 ILE 35 HG11 ILE 35 -5.421 6.416 -3.583 289 1HG2 ILE 35 HG21 ILE 35 -7.219 3.456 -3.133 290 2HG2 ILE 35 HG22 ILE 35 -7.662 3.860 -1.476 291 3HG2 ILE 35 HG23 ILE 35 -6.300 2.784 -1.787 292 1HD1 ILE 35 HD11 ILE 35 -4.051 4.935 -4.634 293 2HD1 ILE 35 HD12 ILE 35 -5.523 4.425 -5.463 294 3HD1 ILE 35 HD13 ILE 35 -4.957 3.541 -4.046 295 H LEU 36 HN LEU 36 -4.573 5.278 0.451 296 HA LEU 36 HA LEU 36 -5.988 3.537 2.148 297 1HB LEU 36 HB2 LEU 36 -3.563 5.264 2.702 298 2HB LEU 36 HB1 LEU 36 -4.149 3.997 3.780 299 HG LEU 36 HG LEU 36 -3.418 3.507 0.884 300 1HD1 LEU 36 HD11 LEU 36 -1.790 3.035 3.399 301 2HD1 LEU 36 HD12 LEU 36 -1.442 4.247 2.167 302 3HD1 LEU 36 HD13 LEU 36 -1.331 2.531 1.771 303 1HD2 LEU 36 HD21 LEU 36 -4.226 1.820 3.240 304 2HD2 LEU 36 HD22 LEU 36 -3.218 1.131 1.968 305 3HD2 LEU 36 HD23 LEU 36 -4.820 1.760 1.581 306 H ALA 37 HN ALA 37 -5.476 7.015 2.212 307 HA ALA 37 HA ALA 37 -6.712 7.479 4.737 308 1HB ALA 37 HB1 ALA 37 -5.319 9.224 3.952 309 2HB ALA 37 HB2 ALA 37 -6.956 9.850 3.760 310 3HB ALA 37 HB3 ALA 37 -6.080 9.227 2.362 311 H ALA 38 HN ALA 38 -7.856 6.674 1.628 312 HA ALA 38 HA ALA 38 -10.465 7.885 1.939 313 1HB ALA 38 HB1 ALA 38 -9.726 5.765 -0.069 314 2HB ALA 38 HB2 ALA 38 -9.248 7.450 -0.275 315 3HB ALA 38 HB3 ALA 38 -10.957 7.021 -0.203 316 H VAL 39 HN VAL 39 -8.946 5.021 2.984 317 HA VAL 39 HA VAL 39 -11.390 3.448 3.091 318 HB VAL 39 HB VAL 39 -9.071 2.477 2.683 319 1HG1 VAL 39 HG11 VAL 39 -8.468 2.114 5.479 320 2HG1 VAL 39 HG12 VAL 39 -8.533 3.836 5.111 321 3HG1 VAL 39 HG13 VAL 39 -7.448 2.782 4.208 322 1HG2 VAL 39 HG21 VAL 39 -10.288 1.193 5.104 323 2HG2 VAL 39 HG22 VAL 39 -9.727 0.447 3.608 324 3HG2 VAL 39 HG23 VAL 39 -11.257 1.324 3.637 325 H GLU 40 HN GLU 40 -9.910 5.840 4.932 326 HA GLU 40 HA GLU 40 -10.011 6.422 7.189 327 1HB GLU 40 HB2 GLU 40 -12.888 5.905 6.405 328 2HB GLU 40 HB1 GLU 40 -12.393 6.793 7.847 329 1HG GLU 40 HG2 GLU 40 -11.661 7.532 4.999 330 2HG GLU 40 HG1 GLU 40 -12.897 8.328 5.973 331 H ALA 41 HN ALA 41 -12.797 4.277 7.300 332 HA ALA 41 HA ALA 41 -13.350 2.646 8.835 333 1HB ALA 41 HB1 ALA 41 -10.532 1.706 8.271 334 2HB ALA 41 HB2 ALA 41 -11.889 1.455 7.172 335 3HB ALA 41 HB3 ALA 41 -11.905 0.722 8.776 336 H THR 42 HN THR 42 -12.568 1.449 10.873 337 HA THR 42 HA THR 42 -11.538 3.474 12.697 338 HB THR 42 HB THR 42 -12.289 1.998 14.460 339 HG1 THR 42 HG1 THR 42 -12.122 -0.041 14.048 340 1HG2 THR 42 HG21 THR 42 -14.482 2.452 14.105 341 2HG2 THR 42 HG22 THR 42 -14.523 1.529 12.602 342 3HG2 THR 42 HG23 THR 42 -13.922 3.187 12.602 343 H VAL 43 HN VAL 43 -10.169 1.154 10.780 344 HA VAL 43 HA VAL 43 -7.988 0.624 12.697 345 HB VAL 43 HB VAL 43 -7.471 -1.221 10.942 346 1HG1 VAL 43 HG11 VAL 43 -9.756 -1.194 12.910 347 2HG1 VAL 43 HG12 VAL 43 -8.154 -1.906 13.101 348 3HG1 VAL 43 HG13 VAL 43 -9.332 -2.661 12.027 349 1HG2 VAL 43 HG21 VAL 43 -9.260 -0.155 9.389 350 2HG2 VAL 43 HG22 VAL 43 -10.430 -0.965 10.430 351 3HG2 VAL 43 HG23 VAL 43 -9.238 -1.912 9.540 352 HA PRO 44 HA PRO 44 -6.258 3.597 9.636 353 1HB PRO 44 HB2 PRO 44 -4.283 4.265 11.616 354 2HB PRO 44 HB1 PRO 44 -5.602 5.268 10.999 355 1HG PRO 44 HG2 PRO 44 -5.381 4.061 13.543 356 2HG PRO 44 HG1 PRO 44 -6.735 4.991 12.894 357 1HD PRO 44 HD2 PRO 44 -6.577 2.144 13.367 358 2HD PRO 44 HD1 PRO 44 -7.972 3.095 12.826 359 H ILE 45 HN ILE 45 -4.291 3.535 8.470 360 HA ILE 45 HA ILE 45 -2.712 1.088 8.944 361 HB ILE 45 HB ILE 45 -2.901 2.726 6.409 362 1HG1 ILE 45 HG12 ILE 45 -4.150 0.366 5.876 363 2HG1 ILE 45 HG11 ILE 45 -4.622 0.602 7.560 364 1HG2 ILE 45 HG21 ILE 45 -2.193 0.021 5.954 365 2HG2 ILE 45 HG22 ILE 45 -1.204 0.563 7.312 366 3HG2 ILE 45 HG23 ILE 45 -1.157 1.438 5.778 367 1HD1 ILE 45 HD11 ILE 45 -6.259 1.653 6.051 368 2HD1 ILE 45 HD12 ILE 45 -4.977 2.617 5.318 369 3HD1 ILE 45 HD13 ILE 45 -5.422 2.879 7.004 370 H SER 46 HN SER 46 -0.520 1.149 9.117 371 HA SER 46 HA SER 46 0.688 3.822 9.402 372 1HB SER 46 HB2 SER 46 0.890 2.242 11.319 373 2HB SER 46 HB1 SER 46 1.755 1.121 10.272 374 HG SER 46 HG SER 46 2.521 3.807 10.791 375 H LEU 47 HN LEU 47 1.631 4.524 7.593 376 HA LEU 47 HA LEU 47 2.759 2.563 5.718 377 1HB LEU 47 HB2 LEU 47 1.108 4.601 5.193 378 2HB LEU 47 HB1 LEU 47 2.639 5.464 5.062 379 HG LEU 47 HG LEU 47 1.739 3.042 3.488 380 1HD1 LEU 47 HD11 LEU 47 0.995 4.967 2.386 381 2HD1 LEU 47 HD12 LEU 47 2.567 4.692 1.634 382 3HD1 LEU 47 HD13 LEU 47 2.394 5.915 2.893 383 1HD2 LEU 47 HD21 LEU 47 4.087 3.389 2.407 384 2HD2 LEU 47 HD22 LEU 47 3.988 2.490 3.918 385 3HD2 LEU 47 HD23 LEU 47 4.496 4.180 3.929 386 H GLN 48 HN GLN 48 4.877 2.289 5.527 387 HA GLN 48 HA GLN 48 6.680 4.447 6.414 388 1HB GLN 48 HB2 GLN 48 6.502 1.667 7.364 389 2HB GLN 48 HB1 GLN 48 8.129 2.193 6.933 390 1HG GLN 48 HG2 GLN 48 7.807 4.212 8.365 391 2HG GLN 48 HG1 GLN 48 6.238 3.574 8.856 392 1HE2 GLN 48 HE21 GLN 48 9.715 3.216 9.253 393 2HE2 GLN 48 HE22 GLN 48 9.639 2.044 10.479 394 H VAL 49 HN VAL 49 8.074 5.021 4.882 395 HA VAL 49 HA VAL 49 8.360 3.301 2.518 396 HB VAL 49 HB VAL 49 9.275 6.161 2.840 397 1HG1 VAL 49 HG11 VAL 49 8.667 5.680 0.197 398 2HG1 VAL 49 HG12 VAL 49 9.354 4.142 0.714 399 3HG1 VAL 49 HG13 VAL 49 10.288 5.625 0.891 400 1HG2 VAL 49 HG21 VAL 49 7.184 6.917 2.281 401 2HG2 VAL 49 HG22 VAL 49 6.666 5.394 3.003 402 3HG2 VAL 49 HG23 VAL 49 6.848 5.523 1.254 403 H ILE 50 HN ILE 50 10.255 2.446 1.893 404 HA ILE 50 HA ILE 50 12.622 3.097 3.531 405 HB ILE 50 HB ILE 50 12.153 0.459 2.140 406 1HG1 ILE 50 HG12 ILE 50 11.498 1.223 5.002 407 2HG1 ILE 50 HG11 ILE 50 10.316 0.862 3.749 408 1HG2 ILE 50 HG21 ILE 50 13.706 0.015 4.338 409 2HG2 ILE 50 HG22 ILE 50 14.179 1.664 3.944 410 3HG2 ILE 50 HG23 ILE 50 14.360 0.387 2.744 411 1HD1 ILE 50 HD11 ILE 50 10.475 -1.323 4.249 412 2HD1 ILE 50 HD12 ILE 50 11.718 -0.975 5.451 413 3HD1 ILE 50 HD13 ILE 50 12.174 -1.288 3.776 414 H ASN 51 HN ASN 51 14.334 3.849 2.402 415 HA ASN 51 HA ASN 51 14.040 4.166 -0.448 416 1HB ASN 51 HB2 ASN 51 16.105 5.051 1.565 417 2HB ASN 51 HB1 ASN 51 16.323 5.302 -0.163 418 1HD2 ASN 51 HD21 ASN 51 13.905 6.112 -1.104 419 2HD2 ASN 51 HD22 ASN 51 13.342 7.486 -0.279 420 H VAL 52 HN VAL 52 14.395 2.335 -1.599 421 HA VAL 52 HA VAL 52 16.110 0.224 -0.901 422 HB VAL 52 HB VAL 52 15.871 -0.480 -3.258 423 1HG1 VAL 52 HG11 VAL 52 14.068 -0.934 -1.636 424 2HG1 VAL 52 HG12 VAL 52 13.407 -0.640 -3.244 425 3HG1 VAL 52 HG13 VAL 52 13.332 0.623 -2.016 426 1HG2 VAL 52 HG21 VAL 52 14.217 1.996 -3.713 427 2HG2 VAL 52 HG22 VAL 52 14.920 0.902 -4.905 428 3HG2 VAL 52 HG23 VAL 52 15.954 2.020 -4.014 429 H ALA 53 HN ALA 53 16.806 3.318 -2.213 430 HA ALA 53 HA ALA 53 19.217 2.663 -3.587 431 1HB ALA 53 HB1 ALA 53 19.605 5.237 -3.034 432 2HB ALA 53 HB2 ALA 53 17.886 5.166 -2.646 433 3HB ALA 53 HB3 ALA 53 18.444 4.728 -4.261 434 H ASP 54 HN ASP 54 18.354 3.352 -0.280 435 HA ASP 54 HA ASP 54 21.158 3.541 0.499 436 1HB ASP 54 HB2 ASP 54 18.599 3.874 2.067 437 2HB ASP 54 HB1 ASP 54 20.210 4.003 2.770 438 H GLN 55 HN GLN 55 18.479 1.302 0.599 439 HA GLN 55 HA GLN 55 20.272 -0.692 1.817 440 1HB GLN 55 HB2 GLN 55 18.502 -1.440 3.332 441 2HB GLN 55 HB1 GLN 55 18.900 0.253 3.628 442 1HG GLN 55 HG2 GLN 55 16.941 0.394 1.667 443 2HG GLN 55 HG1 GLN 55 16.390 -0.924 2.697 444 1HE2 GLN 55 HE21 GLN 55 16.541 2.490 2.422 445 2HE2 GLN 55 HE22 GLN 55 16.070 2.864 4.009 446 HA PRO 56 HA PRO 56 17.923 -2.475 -1.748 447 1HB PRO 56 HB2 PRO 56 20.414 -3.563 -2.697 448 2HB PRO 56 HB1 PRO 56 19.412 -2.310 -3.446 449 1HG PRO 56 HG2 PRO 56 21.914 -1.923 -2.343 450 2HG PRO 56 HG1 PRO 56 20.722 -0.655 -2.664 451 1HD PRO 56 HD2 PRO 56 21.451 -1.938 -0.074 452 2HD PRO 56 HD1 PRO 56 20.856 -0.293 -0.395 453 H GLN 57 HN GLN 57 19.819 -3.599 0.806 454 HA GLN 57 HA GLN 57 19.960 -6.369 0.223 455 1HB GLN 57 HB2 GLN 57 21.354 -5.212 1.927 456 2HB GLN 57 HB1 GLN 57 19.920 -5.052 2.942 457 1HG GLN 57 HG2 GLN 57 19.648 -7.513 2.927 458 2HG GLN 57 HG1 GLN 57 21.109 -7.659 1.950 459 1HE2 GLN 57 HE21 GLN 57 19.905 -7.205 5.193 460 2HE2 GLN 57 HE22 GLN 57 21.420 -7.103 5.951 461 H LEU 58 HN LEU 58 17.494 -4.432 1.956 462 HA LEU 58 HA LEU 58 16.033 -6.781 2.707 463 1HB LEU 58 HB2 LEU 58 14.157 -4.999 3.053 464 2HB LEU 58 HB1 LEU 58 15.528 -5.056 4.152 465 HG LEU 58 HG LEU 58 16.622 -3.254 2.857 466 1HD1 LEU 58 HD11 LEU 58 15.907 -3.256 0.672 467 2HD1 LEU 58 HD12 LEU 58 14.749 -2.088 1.300 468 3HD1 LEU 58 HD13 LEU 58 14.279 -3.775 1.096 469 1HD2 LEU 58 HD21 LEU 58 14.297 -1.732 3.207 470 2HD2 LEU 58 HD22 LEU 58 15.556 -2.008 4.407 471 3HD2 LEU 58 HD23 LEU 58 14.140 -3.055 4.357 472 H VAL 59 HN VAL 59 16.253 -4.793 -0.091 473 HA VAL 59 HA VAL 59 13.733 -5.303 -1.285 474 HB VAL 59 HB VAL 59 16.455 -4.608 -2.360 475 1HG1 VAL 59 HG11 VAL 59 15.281 -4.282 -4.564 476 2HG1 VAL 59 HG12 VAL 59 13.935 -5.190 -3.894 477 3HG1 VAL 59 HG13 VAL 59 15.502 -5.963 -4.089 478 1HG2 VAL 59 HG21 VAL 59 14.062 -2.964 -2.880 479 2HG2 VAL 59 HG22 VAL 59 15.672 -2.469 -2.357 480 3HG2 VAL 59 HG23 VAL 59 14.517 -3.097 -1.182 481 H GLU 60 HN GLU 60 16.875 -6.968 -1.450 482 HA GLU 60 HA GLU 60 15.933 -9.084 -3.146 483 1HB GLU 60 HB2 GLU 60 18.335 -8.877 -1.311 484 2HB GLU 60 HB1 GLU 60 18.040 -10.230 -2.404 485 1HG GLU 60 HG2 GLU 60 18.006 -8.680 -4.320 486 2HG GLU 60 HG1 GLU 60 18.313 -7.327 -3.233 487 H TYR 61 HN TYR 61 16.174 -8.584 0.338 488 HA TYR 61 HA TYR 61 15.636 -11.185 1.232 489 1HB TYR 61 HB2 TYR 61 16.302 -9.385 2.757 490 2HB TYR 61 HB1 TYR 61 14.786 -8.543 2.439 491 HD1 TYR 61 HD1 TYR 61 16.089 -11.853 3.637 492 HD2 TYR 61 HD2 TYR 61 12.925 -8.950 3.778 493 HE1 TYR 61 HE1 TYR 61 14.962 -13.166 5.415 494 HE2 TYR 61 HE2 TYR 61 11.798 -10.263 5.552 495 HH TYR 61 HH TYR 61 12.073 -13.142 6.162 496 H TYR 62 HN TYR 62 13.481 -8.568 0.270 497 HA TYR 62 HA TYR 62 11.090 -10.151 0.713 498 1HB TYR 62 HB2 TYR 62 11.595 -7.396 -0.423 499 2HB TYR 62 HB1 TYR 62 9.993 -8.103 -0.276 500 HD1 TYR 62 HD1 TYR 62 12.141 -5.908 1.255 501 HD2 TYR 62 HD2 TYR 62 9.723 -9.330 2.208 502 HE1 TYR 62 HE1 TYR 62 12.067 -5.199 3.634 503 HE2 TYR 62 HE2 TYR 62 9.654 -8.621 4.583 504 HH TYR 62 HH TYR 62 10.029 -6.844 5.980 505 H ARG 63 HN ARG 63 13.352 -10.614 -1.412 506 HA ARG 63 HA ARG 63 13.492 -11.394 -3.565 507 1HB ARG 63 HB2 ARG 63 10.514 -11.832 -3.238 508 2HB ARG 63 HB1 ARG 63 11.572 -12.641 -4.394 509 1HG ARG 63 HG2 ARG 63 11.892 -14.239 -2.831 510 2HG ARG 63 HG1 ARG 63 12.799 -13.041 -1.907 511 1HD ARG 63 HD2 ARG 63 10.730 -12.311 -0.798 512 2HD ARG 63 HD1 ARG 63 9.804 -13.480 -1.733 513 HE ARG 63 HE ARG 63 11.615 -15.064 -0.522 514 1HH1 ARG 63 HH21 ARG 63 8.659 -14.093 0.360 515 2HH1 ARG 63 HH22 ARG 63 8.912 -14.040 2.073 516 1HH2 ARG 63 HH11 ARG 63 12.364 -14.307 1.834 517 2HH2 ARG 63 HH12 ARG 63 11.012 -14.162 2.908 518 H LEU 64 HN LEU 64 12.052 -8.705 -2.624 519 HA LEU 64 HA LEU 64 10.636 -7.677 -4.837 520 1HB LEU 64 HB2 LEU 64 10.827 -6.850 -2.399 521 2HB LEU 64 HB1 LEU 64 12.328 -6.096 -2.892 522 HG LEU 64 HG LEU 64 10.648 -4.422 -3.075 523 1HD1 LEU 64 HD11 LEU 64 10.786 -5.461 -5.894 524 2HD1 LEU 64 HD12 LEU 64 12.209 -4.802 -5.088 525 3HD1 LEU 64 HD13 LEU 64 10.790 -3.792 -5.335 526 1HD2 LEU 64 HD21 LEU 64 9.002 -6.693 -3.766 527 2HD2 LEU 64 HD22 LEU 64 8.782 -5.394 -4.940 528 3HD2 LEU 64 HD23 LEU 64 8.514 -5.089 -3.225 529 H VAL 65 HN VAL 65 11.403 -6.994 -6.807 530 HA VAL 65 HA VAL 65 14.272 -6.335 -7.003 531 HB VAL 65 HB VAL 65 12.858 -8.031 -9.059 532 1HG1 VAL 65 HG11 VAL 65 15.585 -6.926 -8.643 533 2HG1 VAL 65 HG12 VAL 65 14.737 -7.302 -10.144 534 3HG1 VAL 65 HG13 VAL 65 15.502 -8.591 -9.216 535 1HG2 VAL 65 HG21 VAL 65 14.127 -8.756 -6.468 536 2HG2 VAL 65 HG22 VAL 65 14.570 -9.744 -7.859 537 3HG2 VAL 65 HG23 VAL 65 12.878 -9.599 -7.384 538 H VAL 66 HN VAL 66 11.085 -5.471 -7.702 539 HA VAL 66 HA VAL 66 12.000 -3.642 -9.831 540 HB VAL 66 HB VAL 66 9.569 -3.608 -10.489 541 1HG1 VAL 66 HG11 VAL 66 11.531 -5.152 -11.391 542 2HG1 VAL 66 HG12 VAL 66 9.873 -5.382 -11.946 543 3HG1 VAL 66 HG13 VAL 66 10.536 -6.429 -10.691 544 1HG2 VAL 66 HG21 VAL 66 8.932 -4.616 -8.190 545 2HG2 VAL 66 HG22 VAL 66 9.349 -6.166 -8.925 546 3HG2 VAL 66 HG23 VAL 66 8.060 -5.179 -9.617 547 H THR 67 HN THR 67 11.539 -1.499 -9.621 548 HA THR 67 HA THR 67 9.971 -0.702 -7.264 549 HB THR 67 HB THR 67 11.571 1.213 -6.969 550 HG1 THR 67 HG1 THR 67 12.869 -0.264 -8.991 551 1HG2 THR 67 HG21 THR 67 13.062 -1.396 -6.778 552 2HG2 THR 67 HG22 THR 67 11.631 -1.113 -5.786 553 3HG2 THR 67 HG23 THR 67 13.030 -0.049 -5.638 554 HA PRO 68 HA PRO 68 9.433 1.307 -6.415 555 1HB PRO 68 HB2 PRO 68 6.710 2.230 -6.550 556 2HB PRO 68 HB1 PRO 68 8.155 3.145 -6.096 557 1HG PRO 68 HG2 PRO 68 6.648 3.513 -8.390 558 2HG PRO 68 HG1 PRO 68 8.283 4.123 -8.110 559 1HD PRO 68 HD2 PRO 68 7.392 1.817 -9.756 560 2HD PRO 68 HD1 PRO 68 8.839 2.833 -9.925 561 H ALA 69 HN ALA 69 8.256 0.117 -4.825 562 HA ALA 69 HA ALA 69 6.191 -1.727 -5.762 563 1HB ALA 69 HB1 ALA 69 8.155 -3.040 -6.170 564 2HB ALA 69 HB2 ALA 69 7.429 -3.647 -4.682 565 3HB ALA 69 HB3 ALA 69 8.846 -2.599 -4.609 566 H LEU 70 HN LEU 70 4.827 -2.407 -4.106 567 HA LEU 70 HA LEU 70 5.382 -1.268 -1.433 568 1HB LEU 70 HB2 LEU 70 3.537 -0.182 -2.831 569 2HB LEU 70 HB1 LEU 70 2.632 -1.673 -2.597 570 HG LEU 70 HG LEU 70 3.820 -0.148 -0.279 571 1HD1 LEU 70 HD11 LEU 70 0.960 0.161 -0.527 572 2HD1 LEU 70 HD12 LEU 70 1.754 0.762 -1.981 573 3HD1 LEU 70 HD13 LEU 70 2.200 1.408 -0.403 574 1HD2 LEU 70 HD21 LEU 70 1.531 -1.411 0.543 575 2HD2 LEU 70 HD22 LEU 70 3.149 -2.089 0.695 576 3HD2 LEU 70 HD23 LEU 70 2.129 -2.535 -0.672 577 H VAL 71 HN VAL 71 5.149 -2.614 0.316 578 HA VAL 71 HA VAL 71 3.984 -5.277 -0.195 579 HB VAL 71 HB VAL 71 6.512 -4.759 1.377 580 1HG1 VAL 71 HG11 VAL 71 5.332 -6.709 2.180 581 2HG1 VAL 71 HG12 VAL 71 6.680 -7.269 1.190 582 3HG1 VAL 71 HG13 VAL 71 5.043 -7.274 0.535 583 1HG2 VAL 71 HG21 VAL 71 5.985 -5.357 -1.495 584 2HG2 VAL 71 HG22 VAL 71 7.281 -6.278 -0.732 585 3HG2 VAL 71 HG23 VAL 71 7.348 -4.516 -0.756 586 H LYS 72 HN LYS 72 2.510 -5.893 1.224 587 HA LYS 72 HA LYS 72 2.197 -4.402 3.740 588 1HB LYS 72 HB2 LYS 72 0.186 -4.719 2.334 589 2HB LYS 72 HB1 LYS 72 0.381 -6.469 2.455 590 1HG LYS 72 HG2 LYS 72 0.497 -5.329 5.097 591 2HG LYS 72 HG1 LYS 72 -0.951 -4.742 4.280 592 1HD LYS 72 HD2 LYS 72 -0.210 -7.663 4.208 593 2HD LYS 72 HD1 LYS 72 -1.118 -6.988 5.560 594 1HE LYS 72 HE2 LYS 72 -2.987 -6.558 4.271 595 2HE LYS 72 HE1 LYS 72 -2.047 -6.348 2.793 596 1HZ LYS 72 HZ1 LYS 72 -3.221 -8.393 2.633 597 2HZ LYS 72 HZ2 LYS 72 -2.689 -8.899 4.166 598 3HZ LYS 72 HZ3 LYS 72 -1.586 -8.772 2.881 599 H ILE 73 HN ILE 73 2.746 -5.268 5.663 600 HA ILE 73 HA ILE 73 3.768 -8.020 5.631 601 HB ILE 73 HB ILE 73 4.542 -7.143 8.039 602 1HG1 ILE 73 HG12 ILE 73 3.300 -4.906 7.274 603 2HG1 ILE 73 HG11 ILE 73 4.788 -4.849 8.213 604 1HG2 ILE 73 HG21 ILE 73 6.652 -6.381 6.853 605 2HG2 ILE 73 HG22 ILE 73 5.787 -6.605 5.333 606 3HG2 ILE 73 HG23 ILE 73 6.075 -7.983 6.393 607 1HD1 ILE 73 HD11 ILE 73 6.109 -4.358 6.312 608 2HD1 ILE 73 HD12 ILE 73 4.666 -3.369 6.092 609 3HD1 ILE 73 HD13 ILE 73 4.849 -4.877 5.193 610 H GLY 74 HN GLY 74 1.093 -6.191 6.907 611 1HA GLY 74 HA2 GLY 74 -0.326 -8.433 7.725 612 2HA GLY 74 HA1 GLY 74 0.554 -7.893 9.145 613 HA PRO 75 HA PRO 75 -1.495 -8.764 9.955 614 1HB PRO 75 HB2 PRO 75 -4.360 -8.931 9.807 615 2HB PRO 75 HB1 PRO 75 -3.349 -8.733 11.245 616 1HG PRO 75 HG2 PRO 75 -5.065 -6.835 10.146 617 2HG PRO 75 HG1 PRO 75 -3.831 -6.557 11.381 618 1HD PRO 75 HD2 PRO 75 -3.784 -5.845 8.516 619 2HD PRO 75 HD1 PRO 75 -2.844 -5.197 9.862 620 H GLY 76 HN GLY 76 -2.736 -10.869 9.304 621 1HA GLY 76 HA2 GLY 76 -3.522 -12.333 7.671 622 2HA GLY 76 HA1 GLY 76 -3.615 -10.982 6.541 623 H SER 77 HN SER 77 -2.652 -12.721 5.111 624 HA SER 77 HA SER 77 0.082 -13.471 5.535 625 1HB SER 77 HB2 SER 77 -1.062 -14.975 4.175 626 2HB SER 77 HB1 SER 77 -1.836 -13.702 3.236 627 HG SER 77 HG SER 77 -0.113 -13.573 2.015 628 H ARG 78 HN ARG 78 1.849 -12.876 4.155 629 HA ARG 78 HA ARG 78 1.957 -10.004 3.736 630 1HB ARG 78 HB2 ARG 78 3.859 -11.222 4.738 631 2HB ARG 78 HB1 ARG 78 4.045 -12.148 3.249 632 1HG ARG 78 HG2 ARG 78 4.487 -10.086 1.995 633 2HG ARG 78 HG1 ARG 78 4.249 -9.131 3.458 634 1HD ARG 78 HD2 ARG 78 6.627 -9.439 3.147 635 2HD ARG 78 HD1 ARG 78 6.121 -10.406 4.529 636 HE ARG 78 HE ARG 78 6.270 -11.716 1.901 637 1HH1 ARG 78 HH21 ARG 78 8.150 -10.835 4.612 638 2HH1 ARG 78 HH22 ARG 78 8.874 -12.394 4.818 639 1HH2 ARG 78 HH11 ARG 78 6.937 -13.908 2.368 640 2HH2 ARG 78 HH12 ARG 78 8.187 -14.136 3.546 641 H GLN 79 HN GLN 79 2.035 -8.952 1.796 642 HA GLN 79 HA GLN 79 2.074 -10.577 -0.665 643 1HB GLN 79 HB2 GLN 79 0.039 -8.430 -0.019 644 2HB GLN 79 HB1 GLN 79 0.235 -9.195 -1.597 645 1HG GLN 79 HG2 GLN 79 -0.178 -11.414 -0.507 646 2HG GLN 79 HG1 GLN 79 -0.523 -10.564 0.998 647 1HE2 GLN 79 HE21 GLN 79 -2.610 -9.646 1.242 648 2HE2 GLN 79 HE22 GLN 79 -3.792 -9.671 0.023 649 H VAL 80 HN VAL 80 2.925 -9.534 -2.471 650 HA VAL 80 HA VAL 80 4.237 -6.948 -1.885 651 HB VAL 80 HB VAL 80 5.134 -9.111 -3.803 652 1HG1 VAL 80 HG11 VAL 80 6.928 -6.957 -2.800 653 2HG1 VAL 80 HG12 VAL 80 5.701 -6.481 -3.974 654 3HG1 VAL 80 HG13 VAL 80 6.875 -7.731 -4.384 655 1HG2 VAL 80 HG21 VAL 80 5.332 -9.839 -1.464 656 2HG2 VAL 80 HG22 VAL 80 6.147 -8.330 -1.048 657 3HG2 VAL 80 HG23 VAL 80 6.929 -9.489 -2.125 658 H LEU 81 HN LEU 81 3.513 -5.280 -3.009 659 HA LEU 81 HA LEU 81 2.133 -5.765 -5.578 660 1HB LEU 81 HB2 LEU 81 1.957 -3.282 -3.880 661 2HB LEU 81 HB1 LEU 81 0.869 -3.793 -5.167 662 HG LEU 81 HG LEU 81 1.262 -5.329 -2.584 663 1HD1 LEU 81 HD11 LEU 81 -1.269 -4.314 -2.494 664 2HD1 LEU 81 HD12 LEU 81 -0.404 -2.990 -3.277 665 3HD1 LEU 81 HD13 LEU 81 0.118 -3.572 -1.697 666 1HD2 LEU 81 HD21 LEU 81 -0.755 -6.500 -3.273 667 2HD2 LEU 81 HD22 LEU 81 0.417 -6.594 -4.584 668 3HD2 LEU 81 HD23 LEU 81 -0.926 -5.452 -4.682 669 H SER 82 HN SER 82 3.074 -4.935 -7.401 670 HA SER 82 HA SER 82 4.843 -2.647 -7.199 671 1HB SER 82 HB2 SER 82 6.428 -4.365 -6.635 672 2HB SER 82 HB1 SER 82 5.902 -5.360 -7.989 673 HG SER 82 HG SER 82 7.635 -3.262 -7.919 674 H GLY 83 HN GLY 83 5.882 -2.176 -9.347 675 1HA GLY 83 HA2 GLY 83 5.797 -2.065 -11.690 676 2HA GLY 83 HA1 GLY 83 4.386 -3.118 -11.672 677 H ILE 84 HN ILE 84 5.093 -0.018 -10.094 678 HA ILE 84 HA ILE 84 3.770 1.848 -9.819 679 HB ILE 84 HB ILE 84 3.465 3.072 -11.824 680 1HG1 ILE 84 HG12 ILE 84 3.674 0.476 -13.383 681 2HG1 ILE 84 HG11 ILE 84 2.139 1.254 -12.996 682 1HG2 ILE 84 HG21 ILE 84 5.716 1.090 -12.271 683 2HG2 ILE 84 HG22 ILE 84 5.811 2.525 -11.251 684 3HG2 ILE 84 HG23 ILE 84 5.593 2.694 -12.993 685 1HD1 ILE 84 HD11 ILE 84 4.359 2.753 -14.382 686 2HD1 ILE 84 HD12 ILE 84 2.646 3.162 -14.300 687 3HD1 ILE 84 HD13 ILE 84 3.182 1.801 -15.286 688 H ASP 85 HN ASP 85 2.329 -0.980 -10.337 689 HA ASP 85 HA ASP 85 -0.362 0.083 -10.845 690 1HB ASP 85 HB2 ASP 85 -1.049 -2.249 -11.025 691 2HB ASP 85 HB1 ASP 85 0.359 -1.970 -12.049 692 H LEU 86 HN LEU 86 1.522 0.132 -8.342 693 HA LEU 86 HA LEU 86 0.523 -1.266 -6.214 694 1HB LEU 86 HB2 LEU 86 1.303 1.657 -6.191 695 2HB LEU 86 HB1 LEU 86 1.320 0.554 -4.817 696 HG LEU 86 HG LEU 86 3.001 0.293 -7.323 697 1HD1 LEU 86 HD11 LEU 86 4.291 1.774 -6.180 698 2HD1 LEU 86 HD12 LEU 86 4.676 0.400 -5.143 699 3HD1 LEU 86 HD13 LEU 86 3.399 1.525 -4.680 700 1HD2 LEU 86 HD21 LEU 86 4.048 -1.448 -5.544 701 2HD2 LEU 86 HD22 LEU 86 2.820 -1.915 -6.719 702 3HD2 LEU 86 HD23 LEU 86 2.358 -1.522 -5.064 703 H THR 87 HN THR 87 -0.717 1.834 -7.475 704 HA THR 87 HA THR 87 -2.795 2.037 -5.558 705 HB THR 87 HB THR 87 -3.708 3.788 -7.007 706 HG1 THR 87 HG1 THR 87 -2.634 4.137 -9.022 707 1HG2 THR 87 HG21 THR 87 -1.600 5.165 -7.255 708 2HG2 THR 87 HG22 THR 87 -0.691 3.732 -6.774 709 3HG2 THR 87 HG23 THR 87 -1.838 4.467 -5.653 710 H ASP 88 HN ASP 88 -2.634 0.593 -8.779 711 HA ASP 88 HA ASP 88 -5.440 0.057 -8.939 712 1HB ASP 88 HB2 ASP 88 -3.064 -1.142 -10.383 713 2HB ASP 88 HB1 ASP 88 -4.745 -1.484 -10.778 714 H GLN 89 HN GLN 89 -2.566 -1.863 -8.116 715 HA GLN 89 HA GLN 89 -4.024 -4.232 -7.451 716 1HB GLN 89 HB2 GLN 89 -1.441 -3.780 -7.994 717 2HB GLN 89 HB1 GLN 89 -1.356 -3.713 -6.231 718 1HG GLN 89 HG2 GLN 89 -2.522 -5.906 -6.120 719 2HG GLN 89 HG1 GLN 89 -2.516 -5.978 -7.879 720 1HE2 GLN 89 HE21 GLN 89 0.295 -4.451 -7.371 721 2HE2 GLN 89 HE22 GLN 89 1.347 -5.770 -7.185 722 H LEU 90 HN LEU 90 -2.566 -1.601 -5.517 723 HA LEU 90 HA LEU 90 -3.203 -2.605 -2.982 724 1HB LEU 90 HB2 LEU 90 -1.713 -0.688 -3.329 725 2HB LEU 90 HB1 LEU 90 -3.081 0.282 -3.878 726 HG LEU 90 HG LEU 90 -4.182 -0.186 -1.648 727 1HD1 LEU 90 HD11 LEU 90 -1.771 -1.812 -1.404 728 2HD1 LEU 90 HD12 LEU 90 -3.240 -1.838 -0.429 729 3HD1 LEU 90 HD13 LEU 90 -1.951 -0.695 -0.052 730 1HD2 LEU 90 HD21 LEU 90 -1.513 1.252 -1.716 731 2HD2 LEU 90 HD22 LEU 90 -2.692 1.420 -0.414 732 3HD2 LEU 90 HD23 LEU 90 -3.099 1.950 -2.046 733 H ALA 91 HN ALA 91 -5.079 -0.451 -5.106 734 HA ALA 91 HA ALA 91 -7.272 -0.064 -3.400 735 1HB ALA 91 HB1 ALA 91 -7.259 1.348 -5.255 736 2HB ALA 91 HB2 ALA 91 -8.523 0.193 -5.680 737 3HB ALA 91 HB3 ALA 91 -6.910 0.034 -6.378 738 H ASN 92 HN ASN 92 -6.521 -2.646 -5.679 739 HA ASN 92 HA ASN 92 -9.054 -3.983 -5.313 740 1HB ASN 92 HB2 ASN 92 -6.476 -4.726 -6.695 741 2HB ASN 92 HB1 ASN 92 -7.871 -5.794 -6.625 742 1HD2 ASN 92 HD21 ASN 92 -10.014 -4.062 -7.054 743 2HD2 ASN 92 HD22 ASN 92 -9.856 -3.306 -8.566 744 H GLN 93 HN GLN 93 -5.748 -4.299 -4.158 745 HA GLN 93 HA GLN 93 -6.198 -6.763 -2.760 746 1HB GLN 93 HB2 GLN 93 -3.951 -4.750 -2.716 747 2HB GLN 93 HB1 GLN 93 -3.935 -6.252 -1.797 748 1HG GLN 93 HG2 GLN 93 -4.340 -6.120 -4.791 749 2HG GLN 93 HG1 GLN 93 -2.785 -6.414 -4.023 750 1HE2 GLN 93 HE21 GLN 93 -4.763 -8.181 -5.678 751 2HE2 GLN 93 HE22 GLN 93 -4.869 -9.592 -4.745 752 H LEU 94 HN LEU 94 -6.129 -3.345 -1.887 753 HA LEU 94 HA LEU 94 -6.020 -3.543 0.869 754 1HB LEU 94 HB2 LEU 94 -5.892 -1.382 -0.042 755 2HB LEU 94 HB1 LEU 94 -7.386 -1.568 -0.946 756 HG LEU 94 HG LEU 94 -8.691 -1.569 1.111 757 1HD1 LEU 94 HD11 LEU 94 -5.970 -1.463 2.446 758 2HD1 LEU 94 HD12 LEU 94 -7.179 -2.738 2.595 759 3HD1 LEU 94 HD13 LEU 94 -7.487 -1.148 3.292 760 1HD2 LEU 94 HD21 LEU 94 -7.209 0.708 1.980 761 2HD2 LEU 94 HD22 LEU 94 -8.647 0.681 0.961 762 3HD2 LEU 94 HD23 LEU 94 -7.045 0.616 0.227 763 HA PRO 95 HA PRO 95 -10.952 -3.807 0.938 764 1HB PRO 95 HB2 PRO 95 -11.589 -5.401 -1.368 765 2HB PRO 95 HB1 PRO 95 -12.160 -3.771 -0.980 766 1HG PRO 95 HG2 PRO 95 -10.075 -4.618 -2.832 767 2HG PRO 95 HG1 PRO 95 -10.944 -3.081 -2.736 768 1HD PRO 95 HD2 PRO 95 -8.305 -3.365 -2.051 769 2HD PRO 95 HD1 PRO 95 -9.377 -2.125 -1.364 770 H GLN 96 HN GLN 96 -9.082 -6.291 -0.806 771 HA GLN 96 HA GLN 96 -10.271 -8.556 0.378 772 1HB GLN 96 HB2 GLN 96 -7.487 -8.178 -0.749 773 2HB GLN 96 HB1 GLN 96 -8.213 -9.738 -0.357 774 1HG GLN 96 HG2 GLN 96 -10.075 -9.228 -1.931 775 2HG GLN 96 HG1 GLN 96 -9.254 -7.730 -2.372 776 1HE2 GLN 96 HE21 GLN 96 -6.777 -9.826 -1.761 777 2HE2 GLN 96 HE22 GLN 96 -6.546 -10.461 -3.318 778 H TRP 97 HN TRP 97 -7.604 -6.496 1.388 779 HA TRP 97 HA TRP 97 -6.592 -8.149 3.444 780 1HB TRP 97 HB2 TRP 97 -6.604 -5.126 3.265 781 2HB TRP 97 HB1 TRP 97 -5.575 -6.092 4.322 782 HD1 TRP 97 HD1 TRP 97 -5.679 -8.166 1.464 783 HE1 TRP 97 HE1 TRP 97 -3.736 -7.721 -0.178 784 HE3 TRP 97 HE3 TRP 97 -4.129 -3.602 3.153 785 HZ2 TRP 97 HZ2 TRP 97 -1.787 -5.691 -0.700 786 HZ3 TRP 97 HZ3 TRP 97 -2.232 -2.438 2.067 787 HH2 TRP 97 HH2 TRP 97 -1.061 -3.475 0.146 788 H LEU 98 HN LEU 98 -9.067 -5.601 3.462 789 HA LEU 98 HA LEU 98 -9.611 -5.735 6.247 790 1HB LEU 98 HB2 LEU 98 -11.422 -4.881 3.972 791 2HB LEU 98 HB1 LEU 98 -11.639 -4.495 5.677 792 HG LEU 98 HG LEU 98 -9.344 -3.626 3.905 793 1HD1 LEU 98 HD11 LEU 98 -10.496 -1.712 3.634 794 2HD1 LEU 98 HD12 LEU 98 -10.756 -1.563 5.371 795 3HD1 LEU 98 HD13 LEU 98 -11.879 -2.504 4.388 796 1HD2 LEU 98 HD21 LEU 98 -9.750 -3.597 6.880 797 2HD2 LEU 98 HD22 LEU 98 -8.870 -2.269 6.123 798 3HD2 LEU 98 HD23 LEU 98 -8.282 -3.924 5.960 799 H VAL 99 HN VAL 99 -10.736 -7.438 3.418 800 HA VAL 99 HA VAL 99 -12.798 -8.892 4.866 801 HB VAL 99 HB VAL 99 -11.808 -9.279 2.033 802 1HG1 VAL 99 HG11 VAL 99 -14.586 -9.811 3.021 803 2HG1 VAL 99 HG12 VAL 99 -13.321 -10.994 3.354 804 3HG1 VAL 99 HG13 VAL 99 -13.709 -10.562 1.689 805 1HG2 VAL 99 HG21 VAL 99 -12.986 -6.990 3.109 806 2HG2 VAL 99 HG22 VAL 99 -14.339 -7.868 2.396 807 3HG2 VAL 99 HG23 VAL 99 -12.949 -7.433 1.401 808 H GLN 100 HN GLN 100 -9.484 -9.268 3.961 809 HA GLN 100 HA GLN 100 -7.947 -10.918 4.364 810 1HB GLN 100 HB2 GLN 100 -10.114 -11.961 6.195 811 2HB GLN 100 HB1 GLN 100 -8.453 -12.553 6.154 812 1HG GLN 100 HG2 GLN 100 -7.689 -10.190 6.601 813 2HG GLN 100 HG1 GLN 100 -9.379 -9.758 6.860 814 1HE2 GLN 100 HE21 GLN 100 -10.003 -12.413 8.125 815 2HE2 GLN 100 HE22 GLN 100 -9.305 -12.347 9.671 816 H GLN 101 HN GLN 101 -9.288 -11.189 2.017 817 HA GLN 101 HA GLN 101 -10.046 -14.030 1.841 818 1HB GLN 101 HB2 GLN 101 -10.403 -11.743 -0.105 819 2HB GLN 101 HB1 GLN 101 -10.871 -13.413 -0.429 820 1HG GLN 101 HG2 GLN 101 -11.883 -11.743 1.886 821 2HG GLN 101 HG1 GLN 101 -12.780 -12.062 0.402 822 1HE2 GLN 101 HE21 GLN 101 -12.455 -13.143 3.550 823 2HE2 GLN 101 HE22 GLN 101 -12.989 -14.741 3.340 824 H GLU 102 HN GLU 102 -9.049 -15.426 0.397 825 HA GLU 102 HA GLU 102 -7.261 -16.373 -0.684 826 1HB GLU 102 HB2 GLU 102 -7.024 -13.556 -1.768 827 2HB GLU 102 HB1 GLU 102 -6.149 -14.952 -2.399 828 1HG GLU 102 HG2 GLU 102 -9.166 -14.694 -2.251 829 2HG GLU 102 HG1 GLU 102 -8.197 -14.513 -3.711 830 H GLY 103 HN GLY 103 -5.596 -17.017 0.497 831 1HA GLY 103 HA2 GLY 103 -3.291 -15.422 0.925 832 2HA GLY 103 HA1 GLY 103 -4.222 -15.536 2.417 833 H ILE 104 HN ILE 104 -1.695 -16.872 0.862 834 HA ILE 104 HA ILE 104 -2.231 -19.601 1.856 835 HB ILE 104 HB ILE 104 -0.528 -20.377 0.331 836 1HG1 ILE 104 HG12 ILE 104 -0.130 -17.471 -0.452 837 2HG1 ILE 104 HG11 ILE 104 0.962 -18.365 0.605 838 1HG2 ILE 104 HG21 ILE 104 -2.922 -19.634 -0.455 839 2HG2 ILE 104 HG22 ILE 104 -1.707 -20.061 -1.659 840 3HG2 ILE 104 HG23 ILE 104 -2.043 -18.366 -1.308 841 1HD1 ILE 104 HD11 ILE 104 2.029 -18.861 -1.351 842 2HD1 ILE 104 HD12 ILE 104 0.591 -18.566 -2.328 843 3HD1 ILE 104 HD13 ILE 104 0.782 -20.100 -1.478 844 H PHE 105 HN PHE 105 -0.496 -20.727 2.929 845 HA PHE 105 HA PHE 105 1.286 -18.889 4.412 846 1HB PHE 105 HB2 PHE 105 0.105 -21.535 5.292 847 2HB PHE 105 HB1 PHE 105 1.180 -20.518 6.253 848 HD1 PHE 105 HD1 PHE 105 -2.219 -20.985 5.011 849 HD2 PHE 105 HD2 PHE 105 0.439 -18.261 7.003 850 HE1 PHE 105 HE1 PHE 105 -4.162 -19.648 5.776 851 HE2 PHE 105 HE2 PHE 105 -1.505 -16.923 7.767 852 HZ PHE 105 HZ PHE 105 -3.805 -17.617 7.155 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 -14.863 -6.480 30.695 2 2H GLY 1 HT2 GLY 1 -13.984 -5.066 30.358 3 3H GLY 1 HT3 GLY 1 -13.885 -6.400 29.311 4 1HA GLY 1 HA2 GLY 1 -15.299 -4.680 28.373 5 2HA GLY 1 HA1 GLY 1 -16.212 -6.150 28.719 6 H SER 2 HN SER 2 -16.203 -5.797 31.592 7 HA SER 2 HA SER 2 -18.579 -4.359 31.956 8 1HB SER 2 HB2 SER 2 -16.470 -4.955 34.043 9 2HB SER 2 HB1 SER 2 -18.166 -4.592 34.342 10 HG SER 2 HG SER 2 -17.111 -6.936 33.929 11 H SER 3 HN SER 3 -17.636 -2.913 34.410 12 HA SER 3 HA SER 3 -17.422 -0.324 33.281 13 1HB SER 3 HB2 SER 3 -17.238 0.463 35.522 14 2HB SER 3 HB1 SER 3 -18.307 -0.934 35.586 15 HG SER 3 HG SER 3 -15.918 -0.543 36.771 16 H LEU 4 HN LEU 4 -15.606 1.203 33.733 17 HA LEU 4 HA LEU 4 -13.422 1.805 33.309 18 1HB LEU 4 HB2 LEU 4 -13.175 0.925 35.608 19 2HB LEU 4 HB1 LEU 4 -12.870 -0.681 34.949 20 HG LEU 4 HG LEU 4 -10.932 0.289 33.670 21 1HD1 LEU 4 HD11 LEU 4 -10.154 2.527 34.857 22 2HD1 LEU 4 HD12 LEU 4 -11.884 2.719 35.144 23 3HD1 LEU 4 HD13 LEU 4 -11.272 2.578 33.495 24 1HD2 LEU 4 HD21 LEU 4 -11.087 0.274 36.673 25 2HD2 LEU 4 HD22 LEU 4 -9.588 0.764 35.886 26 3HD2 LEU 4 HD23 LEU 4 -10.248 -0.845 35.599 27 H SER 5 HN SER 5 -13.803 1.270 31.035 28 HA SER 5 HA SER 5 -12.251 -1.100 30.182 29 1HB SER 5 HB2 SER 5 -14.836 0.022 29.204 30 2HB SER 5 HB1 SER 5 -13.753 -0.725 28.034 31 HG SER 5 HG SER 5 -13.673 -2.517 29.610 32 HA PRO 6 HA PRO 6 -10.084 2.722 28.701 33 1HB PRO 6 HB2 PRO 6 -7.679 1.148 28.646 34 2HB PRO 6 HB1 PRO 6 -8.075 2.505 29.708 35 1HG PRO 6 HG2 PRO 6 -7.950 -0.262 30.349 36 2HG PRO 6 HG1 PRO 6 -8.333 1.096 31.410 37 1HD PRO 6 HD2 PRO 6 -10.115 -0.916 30.427 38 2HD PRO 6 HD1 PRO 6 -10.511 0.471 31.459 39 H GLN 7 HN GLN 7 -8.045 2.401 26.885 40 HA GLN 7 HA GLN 7 -9.446 1.604 24.542 41 1HB GLN 7 HB2 GLN 7 -6.504 2.187 24.961 42 2HB GLN 7 HB1 GLN 7 -7.282 1.998 23.390 43 1HG GLN 7 HG2 GLN 7 -8.839 3.867 24.000 44 2HG GLN 7 HG1 GLN 7 -7.903 4.108 25.474 45 1HE2 GLN 7 HE21 GLN 7 -5.852 5.171 25.295 46 2HE2 GLN 7 HE22 GLN 7 -5.272 5.803 23.831 47 H ALA 8 HN ALA 8 -9.370 -0.230 23.350 48 HA ALA 8 HA ALA 8 -7.443 -2.330 23.991 49 1HB ALA 8 HB1 ALA 8 -10.429 -2.632 24.330 50 2HB ALA 8 HB2 ALA 8 -9.168 -2.939 25.523 51 3HB ALA 8 HB3 ALA 8 -9.345 -4.008 24.131 52 H LEU 9 HN LEU 9 -7.661 -0.713 21.728 53 HA LEU 9 HA LEU 9 -9.088 -2.174 19.665 54 1HB LEU 9 HB2 LEU 9 -8.033 -0.477 18.153 55 2HB LEU 9 HB1 LEU 9 -8.986 0.234 19.455 56 HG LEU 9 HG LEU 9 -6.034 -0.254 19.807 57 1HD1 LEU 9 HD11 LEU 9 -7.348 1.708 18.050 58 2HD1 LEU 9 HD12 LEU 9 -5.664 1.189 18.096 59 3HD1 LEU 9 HD13 LEU 9 -6.236 2.426 19.215 60 1HD2 LEU 9 HD21 LEU 9 -7.029 2.153 20.987 61 2HD2 LEU 9 HD22 LEU 9 -6.469 0.694 21.804 62 3HD2 LEU 9 HD23 LEU 9 -8.167 0.860 21.365 63 H ALA 10 HN ALA 10 -8.045 -3.099 17.813 64 HA ALA 10 HA ALA 10 -5.857 -4.783 18.452 65 1HB ALA 10 HB1 ALA 10 -6.783 -4.048 15.669 66 2HB ALA 10 HB2 ALA 10 -7.638 -5.203 16.692 67 3HB ALA 10 HB3 ALA 10 -5.982 -5.533 16.183 68 H GLN 11 HN GLN 11 -3.893 -4.817 16.826 69 HA GLN 11 HA GLN 11 -2.554 -2.280 17.214 70 1HB GLN 11 HB2 GLN 11 -1.522 -4.809 15.908 71 2HB GLN 11 HB1 GLN 11 -0.554 -3.443 16.461 72 1HG GLN 11 HG2 GLN 11 -2.365 -4.991 18.319 73 2HG GLN 11 HG1 GLN 11 -0.684 -5.447 18.048 74 1HE2 GLN 11 HE21 GLN 11 0.157 -2.567 17.735 75 2HE2 GLN 11 HE22 GLN 11 0.148 -1.931 19.309 76 HA PRO 12 HA PRO 12 -3.532 -0.538 13.282 77 1HB PRO 12 HB2 PRO 12 -0.914 0.595 12.931 78 2HB PRO 12 HB1 PRO 12 -2.406 1.412 13.415 79 1HG PRO 12 HG2 PRO 12 -0.149 0.626 15.030 80 2HG PRO 12 HG1 PRO 12 -1.526 1.649 15.452 81 1HD PRO 12 HD2 PRO 12 -1.051 -0.927 16.426 82 2HD PRO 12 HD1 PRO 12 -2.598 -0.060 16.512 83 H LEU 13 HN LEU 13 -2.987 -0.708 11.044 84 HA LEU 13 HA LEU 13 -1.751 -3.210 10.345 85 1HB LEU 13 HB2 LEU 13 -3.779 -2.145 9.226 86 2HB LEU 13 HB1 LEU 13 -2.652 -1.028 8.467 87 HG LEU 13 HG LEU 13 -2.367 -4.032 8.265 88 1HD1 LEU 13 HD11 LEU 13 -3.181 -2.986 5.796 89 2HD1 LEU 13 HD12 LEU 13 -4.239 -2.215 6.979 90 3HD1 LEU 13 HD13 LEU 13 -4.153 -3.976 6.886 91 1HD2 LEU 13 HD21 LEU 13 -1.272 -2.824 6.035 92 2HD2 LEU 13 HD22 LEU 13 -0.358 -3.349 7.447 93 3HD2 LEU 13 HD23 LEU 13 -0.889 -1.672 7.311 94 H LEU 14 HN LEU 14 0.239 -3.544 9.411 95 HA LEU 14 HA LEU 14 1.994 -1.201 9.337 96 1HB LEU 14 HB2 LEU 14 2.678 -4.145 9.235 97 2HB LEU 14 HB1 LEU 14 3.805 -2.811 9.443 98 HG LEU 14 HG LEU 14 1.666 -3.753 11.352 99 1HD1 LEU 14 HD11 LEU 14 3.442 -4.198 12.822 100 2HD1 LEU 14 HD12 LEU 14 4.547 -3.126 11.962 101 3HD1 LEU 14 HD13 LEU 14 4.098 -4.680 11.257 102 1HD2 LEU 14 HD21 LEU 14 2.526 -1.746 12.741 103 2HD2 LEU 14 HD22 LEU 14 1.395 -1.402 11.430 104 3HD2 LEU 14 HD23 LEU 14 3.122 -1.111 11.207 105 H LEU 15 HN LEU 15 2.165 -0.239 7.478 106 HA LEU 15 HA LEU 15 2.153 -1.833 4.988 107 1HB LEU 15 HB2 LEU 15 0.164 -0.279 5.541 108 2HB LEU 15 HB1 LEU 15 1.279 1.046 5.230 109 HG LEU 15 HG LEU 15 -0.058 0.449 3.230 110 1HD1 LEU 15 HD11 LEU 15 2.686 -0.449 2.531 111 2HD1 LEU 15 HD12 LEU 15 2.540 1.112 3.335 112 3HD1 LEU 15 HD13 LEU 15 1.702 0.821 1.813 113 1HD2 LEU 15 HD21 LEU 15 0.189 -2.115 4.059 114 2HD2 LEU 15 HD22 LEU 15 1.477 -2.069 2.856 115 3HD2 LEU 15 HD23 LEU 15 -0.180 -1.681 2.391 116 H GLN 16 HN GLN 16 3.881 -1.539 3.614 117 HA GLN 16 HA GLN 16 5.639 0.770 4.140 118 1HB GLN 16 HB2 GLN 16 6.409 -2.128 4.017 119 2HB GLN 16 HB1 GLN 16 7.573 -0.860 3.627 120 1HG GLN 16 HG2 GLN 16 7.294 0.160 5.796 121 2HG GLN 16 HG1 GLN 16 5.963 -0.931 6.191 122 1HE2 GLN 16 HE21 GLN 16 8.358 -0.748 7.801 123 2HE2 GLN 16 HE22 GLN 16 9.164 -2.238 7.696 124 H LEU 17 HN LEU 17 7.015 1.391 2.409 125 HA LEU 17 HA LEU 17 6.302 0.342 -0.245 126 1HB LEU 17 HB2 LEU 17 4.900 2.332 0.191 127 2HB LEU 17 HB1 LEU 17 6.358 3.275 0.492 128 HG LEU 17 HG LEU 17 7.068 2.366 -1.888 129 1HD1 LEU 17 HD11 LEU 17 5.461 1.413 -3.158 130 2HD1 LEU 17 HD12 LEU 17 4.273 2.630 -2.694 131 3HD1 LEU 17 HD13 LEU 17 4.541 1.223 -1.667 132 1HD2 LEU 17 HD21 LEU 17 4.908 4.474 -1.746 133 2HD2 LEU 17 HD22 LEU 17 6.292 4.409 -2.837 134 3HD2 LEU 17 HD23 LEU 17 6.535 4.752 -1.124 135 H PHE 18 HN PHE 18 8.020 0.088 -1.550 136 HA PHE 18 HA PHE 18 10.625 1.079 -0.604 137 1HB PHE 18 HB2 PHE 18 9.818 -1.072 -2.566 138 2HB PHE 18 HB1 PHE 18 11.484 -0.517 -2.397 139 HD1 PHE 18 HD1 PHE 18 8.654 -2.156 -0.647 140 HD2 PHE 18 HD2 PHE 18 12.809 -1.079 -0.476 141 HE1 PHE 18 HE1 PHE 18 8.955 -3.627 1.327 142 HE2 PHE 18 HE2 PHE 18 13.111 -2.548 1.496 143 HZ PHE 18 HZ PHE 18 11.184 -3.823 2.400 144 H VAL 19 HN VAL 19 11.400 2.889 -1.492 145 HA VAL 19 HA VAL 19 10.788 3.414 -4.337 146 HB VAL 19 HB VAL 19 10.385 5.738 -3.885 147 1HG1 VAL 19 HG11 VAL 19 8.875 4.198 -1.764 148 2HG1 VAL 19 HG12 VAL 19 8.541 4.013 -3.486 149 3HG1 VAL 19 HG13 VAL 19 8.309 5.577 -2.706 150 1HG2 VAL 19 HG21 VAL 19 10.302 6.446 -1.410 151 2HG2 VAL 19 HG22 VAL 19 11.897 6.250 -2.135 152 3HG2 VAL 19 HG23 VAL 19 11.243 4.990 -1.089 153 H ASP 20 HN ASP 20 12.307 4.668 -5.464 154 HA ASP 20 HA ASP 20 15.013 4.588 -4.306 155 1HB ASP 20 HB2 ASP 20 15.828 4.692 -6.573 156 2HB ASP 20 HB1 ASP 20 14.574 3.456 -6.507 157 H THR 21 HN THR 21 12.714 6.637 -4.023 158 HA THR 21 HA THR 21 12.674 8.884 -3.523 159 HB THR 21 HB THR 21 14.641 10.162 -3.430 160 HG1 THR 21 HG1 THR 21 15.109 9.280 -5.745 161 1HG2 THR 21 HG21 THR 21 16.031 8.828 -2.133 162 2HG2 THR 21 HG22 THR 21 15.889 7.445 -3.218 163 3HG2 THR 21 HG23 THR 21 14.555 7.865 -2.143 164 H ARG 22 HN ARG 22 12.583 7.493 -6.407 165 HA ARG 22 HA ARG 22 12.866 9.731 -8.181 166 1HB ARG 22 HB2 ARG 22 11.786 8.238 -9.838 167 2HB ARG 22 HB1 ARG 22 13.154 7.473 -9.029 168 1HG ARG 22 HG2 ARG 22 11.744 5.780 -8.537 169 2HG ARG 22 HG1 ARG 22 11.003 6.880 -7.371 170 1HD ARG 22 HD2 ARG 22 9.176 6.261 -8.677 171 2HD ARG 22 HD1 ARG 22 9.678 7.763 -9.441 172 HE ARG 22 HE ARG 22 9.404 5.612 -10.938 173 1HH1 ARG 22 HH21 ARG 22 11.318 7.791 -11.812 174 2HH1 ARG 22 HH22 ARG 22 12.768 6.894 -12.118 175 1HH2 ARG 22 HH11 ARG 22 11.710 4.088 -10.371 176 2HH2 ARG 22 HH12 ARG 22 12.990 4.794 -11.303 177 HA PRO 23 HA PRO 23 9.165 11.967 -7.566 178 1HB PRO 23 HB2 PRO 23 8.426 12.103 -10.333 179 2HB PRO 23 HB1 PRO 23 9.216 13.342 -9.349 180 1HG PRO 23 HG2 PRO 23 10.345 11.554 -11.322 181 2HG PRO 23 HG1 PRO 23 11.041 13.008 -10.594 182 1HD PRO 23 HD2 PRO 23 11.901 10.419 -10.075 183 2HD PRO 23 HD1 PRO 23 12.182 11.807 -9.005 184 H LEU 24 HN LEU 24 8.783 9.471 -10.124 185 HA LEU 24 HA LEU 24 6.014 9.237 -10.011 186 1HB LEU 24 HB2 LEU 24 7.518 8.110 -11.682 187 2HB LEU 24 HB1 LEU 24 7.909 6.919 -10.446 188 HG LEU 24 HG LEU 24 5.241 6.820 -10.248 189 1HD1 LEU 24 HD11 LEU 24 5.425 7.067 -13.205 190 2HD1 LEU 24 HD12 LEU 24 5.404 8.576 -12.292 191 3HD1 LEU 24 HD13 LEU 24 4.076 7.426 -12.127 192 1HD2 LEU 24 HD21 LEU 24 6.719 5.421 -12.494 193 2HD2 LEU 24 HD22 LEU 24 5.326 4.821 -11.591 194 3HD2 LEU 24 HD23 LEU 24 6.894 4.978 -10.796 195 H SER 25 HN SER 25 8.483 7.711 -7.963 196 HA SER 25 HA SER 25 6.705 6.028 -6.523 197 1HB SER 25 HB2 SER 25 8.497 5.785 -4.930 198 2HB SER 25 HB1 SER 25 9.200 5.792 -6.542 199 HG SER 25 HG SER 25 9.388 7.641 -4.489 200 H GLN 26 HN GLN 26 7.969 9.301 -5.940 201 HA GLN 26 HA GLN 26 6.605 9.737 -3.479 202 1HB GLN 26 HB2 GLN 26 7.599 11.681 -5.582 203 2HB GLN 26 HB1 GLN 26 6.981 12.160 -4.001 204 1HG GLN 26 HG2 GLN 26 8.733 10.798 -2.910 205 2HG GLN 26 HG1 GLN 26 9.358 10.344 -4.495 206 1HE2 GLN 26 HE21 GLN 26 10.648 11.994 -2.282 207 2HE2 GLN 26 HE22 GLN 26 11.082 13.452 -3.036 208 H HIS 27 HN HIS 27 5.847 10.053 -6.839 209 HA HIS 27 HA HIS 27 3.418 11.498 -6.708 210 1HB HIS 27 HB2 HIS 27 5.043 10.629 -8.669 211 2HB HIS 27 HB1 HIS 27 3.824 9.364 -8.744 212 HD1 HIS 27 HD1 HIS 27 1.369 11.248 -8.025 213 HD2 HIS 27 HD2 HIS 27 4.266 11.993 -10.932 214 HE1 HIS 27 HE1 HIS 27 0.320 12.861 -9.674 215 H ILE 28 HN ILE 28 4.101 8.036 -7.062 216 HA ILE 28 HA ILE 28 1.440 7.142 -6.707 217 HB ILE 28 HB ILE 28 4.096 5.730 -6.382 218 1HG1 ILE 28 HG12 ILE 28 2.029 5.724 -8.608 219 2HG1 ILE 28 HG11 ILE 28 3.564 6.590 -8.650 220 1HG2 ILE 28 HG21 ILE 28 1.261 4.820 -6.067 221 2HG2 ILE 28 HG22 ILE 28 2.709 4.287 -5.213 222 3HG2 ILE 28 HG23 ILE 28 2.399 3.727 -6.856 223 1HD1 ILE 28 HD11 ILE 28 4.571 4.730 -9.409 224 2HD1 ILE 28 HD12 ILE 28 3.052 3.841 -9.294 225 3HD1 ILE 28 HD13 ILE 28 4.142 3.907 -7.909 226 H VAL 29 HN VAL 29 4.061 7.859 -4.483 227 HA VAL 29 HA VAL 29 3.127 6.535 -2.205 228 HB VAL 29 HB VAL 29 4.668 9.114 -2.518 229 1HG1 VAL 29 HG11 VAL 29 3.456 9.194 -0.385 230 2HG1 VAL 29 HG12 VAL 29 5.166 8.886 -0.089 231 3HG1 VAL 29 HG13 VAL 29 4.003 7.563 0.006 232 1HG2 VAL 29 HG21 VAL 29 5.340 6.393 -2.777 233 2HG2 VAL 29 HG22 VAL 29 5.958 6.871 -1.196 234 3HG2 VAL 29 HG23 VAL 29 6.464 7.741 -2.641 235 H GLN 30 HN GLN 30 2.359 9.784 -3.435 236 HA GLN 30 HA GLN 30 0.588 10.516 -1.360 237 1HB GLN 30 HB2 GLN 30 0.634 11.324 -4.279 238 2HB GLN 30 HB1 GLN 30 -0.407 12.068 -3.064 239 1HG GLN 30 HG2 GLN 30 2.618 11.976 -2.998 240 2HG GLN 30 HG1 GLN 30 1.629 13.391 -3.354 241 1HE2 GLN 30 HE21 GLN 30 3.435 12.221 -0.903 242 2HE2 GLN 30 HE22 GLN 30 2.533 12.759 0.430 243 H ARG 31 HN ARG 31 0.168 8.759 -4.391 244 HA ARG 31 HA ARG 31 -2.651 8.492 -4.253 245 1HB ARG 31 HB2 ARG 31 -0.561 6.712 -5.529 246 2HB ARG 31 HB1 ARG 31 -2.300 6.531 -5.766 247 1HG ARG 31 HG2 ARG 31 -2.360 8.921 -6.568 248 2HG ARG 31 HG1 ARG 31 -0.597 8.924 -6.509 249 1HD ARG 31 HD2 ARG 31 -0.568 6.977 -8.050 250 2HD ARG 31 HD1 ARG 31 -2.324 7.059 -8.153 251 HE ARG 31 HE ARG 31 -0.802 9.457 -8.898 252 1HH1 ARG 31 HH11 ARG 31 -2.430 6.564 -9.850 253 2HH1 ARG 31 HH12 ARG 31 -2.870 7.156 -11.417 254 1HH2 ARG 31 HH21 ARG 31 -1.461 10.285 -10.922 255 2HH2 ARG 31 HH22 ARG 31 -2.322 9.262 -12.024 256 H VAL 32 HN VAL 32 0.022 6.576 -2.967 257 HA VAL 32 HA VAL 32 -1.526 4.431 -1.954 258 HB VAL 32 HB VAL 32 1.156 5.563 -1.128 259 1HG1 VAL 32 HG11 VAL 32 -0.133 2.947 -0.291 260 2HG1 VAL 32 HG12 VAL 32 0.061 4.354 0.756 261 3HG1 VAL 32 HG13 VAL 32 1.480 3.504 0.150 262 1HG2 VAL 32 HG21 VAL 32 0.748 2.894 -2.407 263 2HG2 VAL 32 HG22 VAL 32 2.082 4.034 -2.591 264 3HG2 VAL 32 HG23 VAL 32 0.554 4.322 -3.423 265 H LYS 33 HN LYS 33 -0.249 7.375 -0.414 266 HA LYS 33 HA LYS 33 -1.407 6.970 2.121 267 1HB LYS 33 HB2 LYS 33 -0.586 9.503 0.697 268 2HB LYS 33 HB1 LYS 33 -1.026 9.414 2.399 269 1HG LYS 33 HG2 LYS 33 0.781 7.706 2.724 270 2HG LYS 33 HG1 LYS 33 1.275 7.977 1.050 271 1HD LYS 33 HD2 LYS 33 1.580 10.399 1.581 272 2HD LYS 33 HD1 LYS 33 1.212 10.039 3.267 273 1HE LYS 33 HE2 LYS 33 3.251 8.254 2.178 274 2HE LYS 33 HE1 LYS 33 3.735 9.948 2.102 275 1HZ LYS 33 HZ1 LYS 33 2.543 8.830 4.558 276 2HZ LYS 33 HZ2 LYS 33 3.538 10.197 4.379 277 3HZ LYS 33 HZ3 LYS 33 4.198 8.637 4.239 278 H ASN 34 HN ASN 34 -2.528 8.795 -0.716 279 HA ASN 34 HA ASN 34 -4.849 9.870 0.454 280 1HB ASN 34 HB2 ASN 34 -4.231 9.221 -2.432 281 2HB ASN 34 HB1 ASN 34 -5.557 10.239 -1.884 282 1HD2 ASN 34 HD21 ASN 34 -2.797 10.750 -3.363 283 2HD2 ASN 34 HD22 ASN 34 -2.178 12.096 -2.532 284 H ILE 35 HN ILE 35 -4.375 6.901 -1.443 285 HA ILE 35 HA ILE 35 -7.114 6.139 -1.468 286 HB ILE 35 HB ILE 35 -4.597 4.510 -1.801 287 1HG1 ILE 35 HG12 ILE 35 -6.590 5.457 -3.874 288 2HG1 ILE 35 HG11 ILE 35 -5.147 6.379 -3.455 289 1HG2 ILE 35 HG21 ILE 35 -6.405 3.037 -3.063 290 2HG2 ILE 35 HG22 ILE 35 -7.505 3.805 -1.918 291 3HG2 ILE 35 HG23 ILE 35 -6.146 2.849 -1.328 292 1HD1 ILE 35 HD11 ILE 35 -5.068 4.664 -5.453 293 2HD1 ILE 35 HD12 ILE 35 -4.881 3.473 -4.166 294 3HD1 ILE 35 HD13 ILE 35 -3.702 4.773 -4.341 295 H LEU 36 HN LEU 36 -4.378 5.022 0.553 296 HA LEU 36 HA LEU 36 -5.849 3.226 2.132 297 1HB LEU 36 HB2 LEU 36 -3.390 4.862 2.787 298 2HB LEU 36 HB1 LEU 36 -4.028 3.587 3.825 299 HG LEU 36 HG LEU 36 -3.259 3.172 0.922 300 1HD1 LEU 36 HD11 LEU 36 -1.700 2.056 3.222 301 2HD1 LEU 36 HD12 LEU 36 -1.432 3.738 2.769 302 3HD1 LEU 36 HD13 LEU 36 -1.159 2.455 1.592 303 1HD2 LEU 36 HD21 LEU 36 -4.332 1.474 3.144 304 2HD2 LEU 36 HD22 LEU 36 -3.200 0.738 2.008 305 3HD2 LEU 36 HD23 LEU 36 -4.713 1.432 1.423 306 H ALA 37 HN ALA 37 -5.215 6.680 2.511 307 HA ALA 37 HA ALA 37 -6.566 6.936 5.011 308 1HB ALA 37 HB1 ALA 37 -4.868 8.552 3.822 309 2HB ALA 37 HB2 ALA 37 -6.159 9.220 4.819 310 3HB ALA 37 HB3 ALA 37 -6.319 9.205 3.063 311 H ALA 38 HN ALA 38 -7.597 6.472 1.808 312 HA ALA 38 HA ALA 38 -10.128 7.854 2.111 313 1HB ALA 38 HB1 ALA 38 -10.474 7.435 -0.123 314 2HB ALA 38 HB2 ALA 38 -9.671 5.865 -0.063 315 3HB ALA 38 HB3 ALA 38 -8.714 7.346 -0.075 316 H VAL 39 HN VAL 39 -8.855 4.741 2.806 317 HA VAL 39 HA VAL 39 -11.449 3.418 2.758 318 HB VAL 39 HB VAL 39 -9.105 2.379 2.239 319 1HG1 VAL 39 HG11 VAL 39 -7.758 1.785 3.998 320 2HG1 VAL 39 HG12 VAL 39 -9.116 1.585 5.105 321 3HG1 VAL 39 HG13 VAL 39 -8.510 3.199 4.736 322 1HG2 VAL 39 HG21 VAL 39 -11.017 0.978 2.158 323 2HG2 VAL 39 HG22 VAL 39 -11.318 1.148 3.888 324 3HG2 VAL 39 HG23 VAL 39 -9.951 0.187 3.320 325 H GLU 40 HN GLU 40 -9.660 5.336 4.894 326 HA GLU 40 HA GLU 40 -9.707 5.653 7.192 327 1HB GLU 40 HB2 GLU 40 -12.651 5.351 6.552 328 2HB GLU 40 HB1 GLU 40 -11.991 6.111 8.000 329 1HG GLU 40 HG2 GLU 40 -10.773 7.735 6.537 330 2HG GLU 40 HG1 GLU 40 -11.578 7.024 5.139 331 H ALA 41 HN ALA 41 -12.585 4.185 8.007 332 HA ALA 41 HA ALA 41 -13.150 2.153 8.977 333 1HB ALA 41 HB1 ALA 41 -11.393 1.244 7.255 334 2HB ALA 41 HB2 ALA 41 -11.866 0.245 8.628 335 3HB ALA 41 HB3 ALA 41 -10.345 1.136 8.669 336 H THR 42 HN THR 42 -12.678 1.020 11.029 337 HA THR 42 HA THR 42 -11.691 2.880 12.982 338 HB THR 42 HB THR 42 -12.325 1.163 14.612 339 HG1 THR 42 HG1 THR 42 -11.644 -0.621 13.316 340 1HG2 THR 42 HG21 THR 42 -14.006 2.534 12.909 341 2HG2 THR 42 HG22 THR 42 -14.520 1.653 14.349 342 3HG2 THR 42 HG23 THR 42 -14.591 0.877 12.766 343 H VAL 43 HN VAL 43 -10.112 0.812 10.954 344 HA VAL 43 HA VAL 43 -7.900 0.420 12.867 345 HB VAL 43 HB VAL 43 -7.290 -1.450 11.165 346 1HG1 VAL 43 HG11 VAL 43 -8.210 -1.619 13.586 347 2HG1 VAL 43 HG12 VAL 43 -8.381 -3.031 12.545 348 3HG1 VAL 43 HG13 VAL 43 -9.760 -1.967 12.818 349 1HG2 VAL 43 HG21 VAL 43 -9.283 -0.533 9.699 350 2HG2 VAL 43 HG22 VAL 43 -10.258 -1.553 10.757 351 3HG2 VAL 43 HG23 VAL 43 -8.973 -2.267 9.780 352 HA PRO 44 HA PRO 44 -6.433 3.339 9.636 353 1HB PRO 44 HB2 PRO 44 -4.535 4.291 11.576 354 2HB PRO 44 HB1 PRO 44 -5.928 5.141 10.896 355 1HG PRO 44 HG2 PRO 44 -5.630 4.144 13.513 356 2HG PRO 44 HG1 PRO 44 -7.069 4.869 12.789 357 1HD PRO 44 HD2 PRO 44 -6.578 2.080 13.442 358 2HD PRO 44 HD1 PRO 44 -8.084 2.845 12.901 359 H ILE 45 HN ILE 45 -4.511 3.283 8.436 360 HA ILE 45 HA ILE 45 -2.719 1.035 9.098 361 HB ILE 45 HB ILE 45 -3.093 2.460 6.460 362 1HG1 ILE 45 HG12 ILE 45 -4.018 -0.161 6.258 363 2HG1 ILE 45 HG11 ILE 45 -4.641 0.385 7.816 364 1HG2 ILE 45 HG21 ILE 45 -1.203 0.486 7.491 365 2HG2 ILE 45 HG22 ILE 45 -1.163 1.392 5.976 366 3HG2 ILE 45 HG23 ILE 45 -2.079 -0.112 6.080 367 1HD1 ILE 45 HD11 ILE 45 -6.132 0.875 5.808 368 2HD1 ILE 45 HD12 ILE 45 -4.903 2.026 5.285 369 3HD1 ILE 45 HD13 ILE 45 -5.739 2.265 6.819 370 H SER 46 HN SER 46 -0.493 1.292 9.136 371 HA SER 46 HA SER 46 0.453 4.086 9.249 372 1HB SER 46 HB2 SER 46 0.829 2.645 11.258 373 2HB SER 46 HB1 SER 46 1.805 1.570 10.262 374 HG SER 46 HG SER 46 3.088 3.118 11.343 375 H LEU 47 HN LEU 47 1.704 4.821 7.623 376 HA LEU 47 HA LEU 47 2.741 2.828 5.714 377 1HB LEU 47 HB2 LEU 47 1.136 4.881 5.150 378 2HB LEU 47 HB1 LEU 47 2.678 5.730 5.049 379 HG LEU 47 HG LEU 47 1.776 3.322 3.455 380 1HD1 LEU 47 HD11 LEU 47 2.510 4.863 1.576 381 2HD1 LEU 47 HD12 LEU 47 2.682 6.132 2.789 382 3HD1 LEU 47 HD13 LEU 47 1.101 5.411 2.485 383 1HD2 LEU 47 HD21 LEU 47 4.149 3.605 2.426 384 2HD2 LEU 47 HD22 LEU 47 4.007 2.729 3.947 385 3HD2 LEU 47 HD23 LEU 47 4.548 4.408 3.944 386 H GLN 48 HN GLN 48 4.856 2.506 5.554 387 HA GLN 48 HA GLN 48 6.695 4.613 6.481 388 1HB GLN 48 HB2 GLN 48 6.598 1.700 7.147 389 2HB GLN 48 HB1 GLN 48 8.163 2.493 7.030 390 1HG GLN 48 HG2 GLN 48 5.870 3.511 8.723 391 2HG GLN 48 HG1 GLN 48 7.185 2.516 9.347 392 1HE2 GLN 48 HE21 GLN 48 6.376 5.514 9.732 393 2HE2 GLN 48 HE22 GLN 48 7.841 6.336 9.491 394 H VAL 49 HN VAL 49 8.236 5.135 5.030 395 HA VAL 49 HA VAL 49 8.352 3.561 2.551 396 HB VAL 49 HB VAL 49 9.558 6.286 3.024 397 1HG1 VAL 49 HG11 VAL 49 10.462 5.231 1.081 398 2HG1 VAL 49 HG12 VAL 49 9.226 6.345 0.496 399 3HG1 VAL 49 HG13 VAL 49 8.881 4.618 0.594 400 1HG2 VAL 49 HG21 VAL 49 7.412 6.943 1.657 401 2HG2 VAL 49 HG22 VAL 49 7.283 6.722 3.402 402 3HG2 VAL 49 HG23 VAL 49 6.757 5.441 2.309 403 H ILE 50 HN ILE 50 10.156 2.590 1.842 404 HA ILE 50 HA ILE 50 12.564 2.836 3.531 405 HB ILE 50 HB ILE 50 11.710 0.434 1.901 406 1HG1 ILE 50 HG12 ILE 50 11.388 1.075 4.845 407 2HG1 ILE 50 HG11 ILE 50 10.104 0.749 3.687 408 1HG2 ILE 50 HG21 ILE 50 14.123 0.613 2.298 409 2HG2 ILE 50 HG22 ILE 50 13.449 -0.682 3.285 410 3HG2 ILE 50 HG23 ILE 50 13.839 0.872 4.019 411 1HD1 ILE 50 HD11 ILE 50 10.493 -1.263 4.999 412 2HD1 ILE 50 HD12 ILE 50 12.216 -1.212 4.627 413 3HD1 ILE 50 HD13 ILE 50 11.048 -1.542 3.350 414 H ASN 51 HN ASN 51 14.319 3.598 2.516 415 HA ASN 51 HA ASN 51 14.171 4.127 -0.320 416 1HB ASN 51 HB2 ASN 51 16.178 4.753 1.842 417 2HB ASN 51 HB1 ASN 51 16.524 5.063 0.144 418 1HD2 ASN 51 HD21 ASN 51 13.987 5.942 -0.762 419 2HD2 ASN 51 HD22 ASN 51 13.585 7.384 0.037 420 H VAL 52 HN VAL 52 14.486 2.383 -1.593 421 HA VAL 52 HA VAL 52 15.949 0.084 -0.956 422 HB VAL 52 HB VAL 52 15.872 -0.399 -3.378 423 1HG1 VAL 52 HG11 VAL 52 13.508 0.568 -1.834 424 2HG1 VAL 52 HG12 VAL 52 13.848 -1.038 -2.475 425 3HG1 VAL 52 HG13 VAL 52 13.269 0.235 -3.549 426 1HG2 VAL 52 HG21 VAL 52 15.626 2.507 -3.472 427 2HG2 VAL 52 HG22 VAL 52 14.346 1.715 -4.393 428 3HG2 VAL 52 HG23 VAL 52 16.037 1.380 -4.765 429 H ALA 53 HN ALA 53 17.019 3.191 -2.019 430 HA ALA 53 HA ALA 53 19.524 2.369 -3.124 431 1HB ALA 53 HB1 ALA 53 18.683 5.066 -2.040 432 2HB ALA 53 HB2 ALA 53 18.458 4.523 -3.702 433 3HB ALA 53 HB3 ALA 53 20.086 4.748 -3.060 434 H ASP 54 HN ASP 54 18.362 3.183 0.085 435 HA ASP 54 HA ASP 54 21.086 3.225 1.125 436 1HB ASP 54 HB2 ASP 54 18.421 3.719 2.458 437 2HB ASP 54 HB1 ASP 54 19.978 3.815 3.278 438 H GLN 55 HN GLN 55 18.260 1.187 1.044 439 HA GLN 55 HA GLN 55 19.799 -0.886 2.467 440 1HB GLN 55 HB2 GLN 55 17.725 -1.567 3.646 441 2HB GLN 55 HB1 GLN 55 18.257 0.056 4.085 442 1HG GLN 55 HG2 GLN 55 16.485 0.068 1.765 443 2HG GLN 55 HG1 GLN 55 15.716 -0.623 3.194 444 1HE2 GLN 55 HE21 GLN 55 15.331 2.095 1.854 445 2HE2 GLN 55 HE22 GLN 55 15.570 3.217 3.104 446 HA PRO 56 HA PRO 56 17.970 -2.541 -1.436 447 1HB PRO 56 HB2 PRO 56 20.613 -3.386 -2.205 448 2HB PRO 56 HB1 PRO 56 19.613 -2.124 -2.943 449 1HG PRO 56 HG2 PRO 56 21.958 -1.677 -1.579 450 2HG PRO 56 HG1 PRO 56 20.689 -0.469 -1.840 451 1HD PRO 56 HD2 PRO 56 21.261 -2.104 0.611 452 2HD PRO 56 HD1 PRO 56 20.705 -0.417 0.480 453 H GLN 57 HN GLN 57 19.734 -3.785 1.199 454 HA GLN 57 HA GLN 57 20.105 -6.472 0.363 455 1HB GLN 57 HB2 GLN 57 21.265 -5.341 2.289 456 2HB GLN 57 HB1 GLN 57 19.766 -5.505 3.203 457 1HG GLN 57 HG2 GLN 57 19.833 -7.962 2.827 458 2HG GLN 57 HG1 GLN 57 21.370 -7.772 1.984 459 1HE2 GLN 57 HE21 GLN 57 21.564 -5.431 4.264 460 2HE2 GLN 57 HE22 GLN 57 22.273 -6.305 5.535 461 H LEU 58 HN LEU 58 17.500 -4.957 2.318 462 HA LEU 58 HA LEU 58 16.094 -7.447 2.542 463 1HB LEU 58 HB2 LEU 58 14.151 -5.707 3.113 464 2HB LEU 58 HB1 LEU 58 15.405 -6.125 4.277 465 HG LEU 58 HG LEU 58 16.683 -4.152 3.684 466 1HD1 LEU 58 HD11 LEU 58 14.684 -4.063 1.459 467 2HD1 LEU 58 HD12 LEU 58 16.425 -3.806 1.415 468 3HD1 LEU 58 HD13 LEU 58 15.366 -2.544 2.040 469 1HD2 LEU 58 HD21 LEU 58 15.376 -3.009 5.126 470 2HD2 LEU 58 HD22 LEU 58 14.032 -4.095 4.770 471 3HD2 LEU 58 HD23 LEU 58 14.261 -2.634 3.812 472 H VAL 59 HN VAL 59 16.366 -4.993 0.172 473 HA VAL 59 HA VAL 59 13.893 -5.244 -1.178 474 HB VAL 59 HB VAL 59 16.656 -4.573 -2.212 475 1HG1 VAL 59 HG11 VAL 59 14.090 -3.782 -3.527 476 2HG1 VAL 59 HG12 VAL 59 14.804 -5.354 -3.877 477 3HG1 VAL 59 HG13 VAL 59 15.702 -3.878 -4.223 478 1HG2 VAL 59 HG21 VAL 59 14.335 -2.924 -1.201 479 2HG2 VAL 59 HG22 VAL 59 15.657 -2.233 -2.142 480 3HG2 VAL 59 HG23 VAL 59 15.981 -2.965 -0.570 481 H GLU 60 HN GLU 60 17.030 -6.898 -1.564 482 HA GLU 60 HA GLU 60 16.134 -8.626 -3.651 483 1HB GLU 60 HB2 GLU 60 18.428 -8.900 -1.693 484 2HB GLU 60 HB1 GLU 60 18.169 -9.954 -3.084 485 1HG GLU 60 HG2 GLU 60 18.247 -7.957 -4.571 486 2HG GLU 60 HG1 GLU 60 18.617 -6.958 -3.166 487 H TYR 61 HN TYR 61 16.186 -8.775 -0.146 488 HA TYR 61 HA TYR 61 15.526 -11.473 0.246 489 1HB TYR 61 HB2 TYR 61 16.177 -10.034 2.098 490 2HB TYR 61 HB1 TYR 61 14.755 -9.023 1.846 491 HD1 TYR 61 HD1 TYR 61 15.897 -12.405 2.873 492 HD2 TYR 61 HD2 TYR 61 12.602 -9.660 2.649 493 HE1 TYR 61 HE1 TYR 61 14.556 -13.894 4.336 494 HE2 TYR 61 HE2 TYR 61 11.260 -11.147 4.110 495 HH TYR 61 HH TYR 61 12.664 -13.847 5.768 496 H TYR 62 HN TYR 62 13.498 -8.633 -0.316 497 HA TYR 62 HA TYR 62 11.059 -10.224 -0.315 498 1HB TYR 62 HB2 TYR 62 11.626 -7.286 -0.719 499 2HB TYR 62 HB1 TYR 62 10.014 -7.984 -0.777 500 HD1 TYR 62 HD1 TYR 62 12.229 -6.303 1.273 501 HD2 TYR 62 HD2 TYR 62 9.608 -9.704 1.326 502 HE1 TYR 62 HE1 TYR 62 12.112 -6.177 3.752 503 HE2 TYR 62 HE2 TYR 62 9.491 -9.581 3.800 504 HH TYR 62 HH TYR 62 11.593 -8.041 5.662 505 H ARG 63 HN ARG 63 13.387 -10.177 -2.451 506 HA ARG 63 HA ARG 63 13.558 -10.344 -4.744 507 1HB ARG 63 HB2 ARG 63 10.628 -11.028 -4.404 508 2HB ARG 63 HB1 ARG 63 11.517 -11.198 -5.919 509 1HG ARG 63 HG2 ARG 63 13.174 -12.653 -4.668 510 2HG ARG 63 HG1 ARG 63 12.052 -12.632 -3.306 511 1HD ARG 63 HD2 ARG 63 10.275 -13.526 -4.812 512 2HD ARG 63 HD1 ARG 63 11.470 -13.645 -6.099 513 HE ARG 63 HE ARG 63 12.648 -15.294 -4.697 514 1HH1 ARG 63 HH21 ARG 63 9.350 -15.425 -5.024 515 2HH1 ARG 63 HH22 ARG 63 9.048 -16.452 -3.662 516 1HH2 ARG 63 HH11 ARG 63 12.282 -16.212 -2.432 517 2HH2 ARG 63 HH12 ARG 63 10.709 -16.897 -2.193 518 H LEU 64 HN LEU 64 12.182 -7.955 -3.188 519 HA LEU 64 HA LEU 64 10.637 -6.468 -4.994 520 1HB LEU 64 HB2 LEU 64 11.162 -6.140 -2.465 521 2HB LEU 64 HB1 LEU 64 12.547 -5.224 -3.032 522 HG LEU 64 HG LEU 64 10.603 -3.785 -2.579 523 1HD1 LEU 64 HD11 LEU 64 10.613 -2.545 -4.649 524 2HD1 LEU 64 HD12 LEU 64 11.171 -3.958 -5.536 525 3HD1 LEU 64 HD13 LEU 64 12.224 -3.182 -4.355 526 1HD2 LEU 64 HD21 LEU 64 8.522 -4.176 -3.397 527 2HD2 LEU 64 HD22 LEU 64 9.116 -5.830 -3.547 528 3HD2 LEU 64 HD23 LEU 64 9.136 -4.756 -4.945 529 H VAL 65 HN VAL 65 12.214 -7.328 -6.822 530 HA VAL 65 HA VAL 65 14.583 -5.704 -7.205 531 HB VAL 65 HB VAL 65 13.337 -7.424 -9.316 532 1HG1 VAL 65 HG11 VAL 65 16.213 -6.963 -8.467 533 2HG1 VAL 65 HG12 VAL 65 15.401 -6.062 -9.748 534 3HG1 VAL 65 HG13 VAL 65 15.665 -7.797 -9.923 535 1HG2 VAL 65 HG21 VAL 65 15.097 -9.075 -7.951 536 2HG2 VAL 65 HG22 VAL 65 13.337 -9.166 -7.863 537 3HG2 VAL 65 HG23 VAL 65 14.236 -8.253 -6.651 538 H VAL 66 HN VAL 66 11.386 -5.014 -7.514 539 HA VAL 66 HA VAL 66 11.902 -3.191 -9.776 540 HB VAL 66 HB VAL 66 9.451 -3.408 -10.248 541 1HG1 VAL 66 HG11 VAL 66 11.262 -4.630 -11.498 542 2HG1 VAL 66 HG12 VAL 66 9.703 -5.457 -11.506 543 3HG1 VAL 66 HG13 VAL 66 10.989 -6.005 -10.429 544 1HG2 VAL 66 HG21 VAL 66 9.589 -5.929 -8.613 545 2HG2 VAL 66 HG22 VAL 66 8.163 -5.106 -9.248 546 3HG2 VAL 66 HG23 VAL 66 9.059 -4.407 -7.897 547 H THR 67 HN THR 67 11.135 -1.125 -9.609 548 HA THR 67 HA THR 67 9.637 -0.385 -7.197 549 HB THR 67 HB THR 67 11.202 1.657 -7.048 550 HG1 THR 67 HG1 THR 67 13.125 -0.031 -8.150 551 1HG2 THR 67 HG21 THR 67 11.964 -1.166 -6.310 552 2HG2 THR 67 HG22 THR 67 11.288 0.094 -5.278 553 3HG2 THR 67 HG23 THR 67 12.959 0.209 -5.830 554 HA PRO 68 HA PRO 68 9.081 1.642 -6.362 555 1HB PRO 68 HB2 PRO 68 6.362 2.574 -6.490 556 2HB PRO 68 HB1 PRO 68 7.814 3.498 -6.077 557 1HG PRO 68 HG2 PRO 68 6.278 3.818 -8.357 558 2HG PRO 68 HG1 PRO 68 7.924 4.419 -8.122 559 1HD PRO 68 HD2 PRO 68 6.981 2.064 -9.674 560 2HD PRO 68 HD1 PRO 68 8.421 3.078 -9.919 561 H ALA 69 HN ALA 69 7.791 0.546 -4.721 562 HA ALA 69 HA ALA 69 5.746 -1.311 -5.654 563 1HB ALA 69 HB1 ALA 69 7.718 -2.622 -6.074 564 2HB ALA 69 HB2 ALA 69 6.957 -3.250 -4.611 565 3HB ALA 69 HB3 ALA 69 8.383 -2.222 -4.491 566 H LEU 70 HN LEU 70 4.427 -2.091 -3.986 567 HA LEU 70 HA LEU 70 4.919 -0.899 -1.324 568 1HB LEU 70 HB2 LEU 70 2.947 -0.020 -2.728 569 2HB LEU 70 HB1 LEU 70 2.200 -1.581 -2.412 570 HG LEU 70 HG LEU 70 3.267 0.195 -0.217 571 1HD1 LEU 70 HD11 LEU 70 0.723 0.273 -1.739 572 2HD1 LEU 70 HD12 LEU 70 1.530 1.548 -0.827 573 3HD1 LEU 70 HD13 LEU 70 0.562 0.339 0.016 574 1HD2 LEU 70 HD21 LEU 70 2.973 -1.788 0.859 575 2HD2 LEU 70 HD22 LEU 70 1.939 -2.438 -0.412 576 3HD2 LEU 70 HD23 LEU 70 1.266 -1.355 0.804 577 H VAL 71 HN VAL 71 4.942 -2.275 0.401 578 HA VAL 71 HA VAL 71 4.006 -5.030 -0.098 579 HB VAL 71 HB VAL 71 6.470 -4.234 1.455 580 1HG1 VAL 71 HG11 VAL 71 6.107 -6.255 2.414 581 2HG1 VAL 71 HG12 VAL 71 6.590 -6.930 0.858 582 3HG1 VAL 71 HG13 VAL 71 4.881 -6.692 1.223 583 1HG2 VAL 71 HG21 VAL 71 7.678 -5.329 -0.421 584 2HG2 VAL 71 HG22 VAL 71 6.766 -3.923 -0.970 585 3HG2 VAL 71 HG23 VAL 71 6.146 -5.548 -1.265 586 H LYS 72 HN LYS 72 2.616 -5.811 1.294 587 HA LYS 72 HA LYS 72 2.070 -4.369 3.798 588 1HB LYS 72 HB2 LYS 72 0.218 -5.045 2.182 589 2HB LYS 72 HB1 LYS 72 0.548 -6.715 2.649 590 1HG LYS 72 HG2 LYS 72 0.362 -5.704 5.100 591 2HG LYS 72 HG1 LYS 72 -0.611 -4.486 4.274 592 1HD LYS 72 HD2 LYS 72 -1.742 -6.616 3.172 593 2HD LYS 72 HD1 LYS 72 -1.128 -7.410 4.625 594 1HE LYS 72 HE2 LYS 72 -2.740 -4.855 4.731 595 2HE LYS 72 HE1 LYS 72 -3.486 -6.451 4.802 596 1HZ LYS 72 HZ1 LYS 72 -1.884 -5.063 6.786 597 2HZ LYS 72 HZ2 LYS 72 -1.568 -6.725 6.619 598 3HZ LYS 72 HZ3 LYS 72 -3.136 -6.188 6.994 599 H ILE 73 HN ILE 73 2.612 -5.206 5.762 600 HA ILE 73 HA ILE 73 3.828 -7.896 5.721 601 HB ILE 73 HB ILE 73 4.667 -6.952 8.080 602 1HG1 ILE 73 HG12 ILE 73 3.314 -4.780 7.296 603 2HG1 ILE 73 HG11 ILE 73 4.793 -4.656 8.240 604 1HG2 ILE 73 HG21 ILE 73 5.760 -6.536 5.299 605 2HG2 ILE 73 HG22 ILE 73 6.247 -7.725 6.508 606 3HG2 ILE 73 HG23 ILE 73 6.670 -6.026 6.721 607 1HD1 ILE 73 HD11 ILE 73 4.548 -3.232 6.049 608 2HD1 ILE 73 HD12 ILE 73 4.938 -4.749 5.236 609 3HD1 ILE 73 HD13 ILE 73 6.080 -4.042 6.381 610 H GLY 74 HN GLY 74 1.168 -6.086 7.015 611 1HA GLY 74 HA2 GLY 74 -0.485 -7.978 7.770 612 2HA GLY 74 HA1 GLY 74 0.687 -8.131 9.072 613 HA PRO 75 HA PRO 75 -0.664 -8.576 10.721 614 1HB PRO 75 HB2 PRO 75 -3.474 -8.522 11.319 615 2HB PRO 75 HB1 PRO 75 -2.111 -8.524 12.446 616 1HG PRO 75 HG2 PRO 75 -3.862 -6.391 11.839 617 2HG PRO 75 HG1 PRO 75 -2.452 -6.374 12.902 618 1HD PRO 75 HD2 PRO 75 -2.741 -5.162 10.292 619 2HD PRO 75 HD1 PRO 75 -1.369 -5.062 11.414 620 H GLY 76 HN GLY 76 -1.838 -10.594 10.139 621 1HA GLY 76 HA2 GLY 76 -3.284 -11.837 8.716 622 2HA GLY 76 HA1 GLY 76 -3.455 -10.415 7.690 623 H SER 77 HN SER 77 -3.001 -12.115 6.006 624 HA SER 77 HA SER 77 -0.439 -13.310 5.789 625 1HB SER 77 HB2 SER 77 -2.073 -14.327 4.479 626 2HB SER 77 HB1 SER 77 -2.677 -12.796 3.856 627 HG SER 77 HG SER 77 -0.925 -14.392 2.747 628 H ARG 78 HN ARG 78 1.184 -12.857 4.194 629 HA ARG 78 HA ARG 78 1.796 -9.998 4.052 630 1HB ARG 78 HB2 ARG 78 3.491 -11.731 4.763 631 2HB ARG 78 HB1 ARG 78 3.472 -12.332 3.104 632 1HG ARG 78 HG2 ARG 78 4.148 -10.110 2.280 633 2HG ARG 78 HG1 ARG 78 4.152 -9.494 3.933 634 1HD ARG 78 HD2 ARG 78 6.427 -10.046 3.388 635 2HD ARG 78 HD1 ARG 78 5.846 -11.284 4.498 636 HE ARG 78 HE ARG 78 5.435 -12.650 2.394 637 1HH1 ARG 78 HH21 ARG 78 6.373 -10.545 0.452 638 2HH1 ARG 78 HH22 ARG 78 8.013 -11.021 0.160 639 1HH2 ARG 78 HH11 ARG 78 8.189 -13.093 2.933 640 2HH2 ARG 78 HH12 ARG 78 9.039 -12.463 1.562 641 H GLN 79 HN GLN 79 1.993 -8.840 2.152 642 HA GLN 79 HA GLN 79 1.551 -10.237 -0.394 643 1HB GLN 79 HB2 GLN 79 -0.133 -7.933 0.614 644 2HB GLN 79 HB1 GLN 79 -0.159 -8.542 -1.041 645 1HG GLN 79 HG2 GLN 79 -0.815 -10.770 -0.213 646 2HG GLN 79 HG1 GLN 79 -0.795 -10.161 1.441 647 1HE2 GLN 79 HE21 GLN 79 -2.544 -10.009 -1.641 648 2HE2 GLN 79 HE22 GLN 79 -3.931 -9.260 -1.011 649 H VAL 80 HN VAL 80 2.251 -9.065 -2.233 650 HA VAL 80 HA VAL 80 3.839 -6.641 -1.650 651 HB VAL 80 HB VAL 80 4.696 -8.965 -3.390 652 1HG1 VAL 80 HG11 VAL 80 5.480 -6.191 -3.305 653 2HG1 VAL 80 HG12 VAL 80 6.082 -7.476 -4.352 654 3HG1 VAL 80 HG13 VAL 80 6.827 -7.201 -2.778 655 1HG2 VAL 80 HG21 VAL 80 5.044 -9.697 -1.187 656 2HG2 VAL 80 HG22 VAL 80 5.388 -8.071 -0.598 657 3HG2 VAL 80 HG23 VAL 80 6.582 -8.928 -1.575 658 H LEU 81 HN LEU 81 3.357 -4.999 -2.945 659 HA LEU 81 HA LEU 81 2.033 -5.568 -5.533 660 1HB LEU 81 HB2 LEU 81 1.807 -3.000 -3.976 661 2HB LEU 81 HB1 LEU 81 0.791 -3.562 -5.298 662 HG LEU 81 HG LEU 81 0.981 -4.872 -2.570 663 1HD1 LEU 81 HD11 LEU 81 -0.401 -3.172 -1.988 664 2HD1 LEU 81 HD12 LEU 81 -1.611 -4.006 -2.965 665 3HD1 LEU 81 HD13 LEU 81 -0.660 -2.697 -3.666 666 1HD2 LEU 81 HD21 LEU 81 -0.984 -6.159 -3.397 667 2HD2 LEU 81 HD22 LEU 81 0.460 -6.473 -4.353 668 3HD2 LEU 81 HD23 LEU 81 -0.792 -5.398 -4.975 669 H SER 82 HN SER 82 3.074 -4.842 -7.336 670 HA SER 82 HA SER 82 4.830 -2.548 -7.166 671 1HB SER 82 HB2 SER 82 6.346 -4.291 -6.417 672 2HB SER 82 HB1 SER 82 5.970 -5.262 -7.833 673 HG SER 82 HG SER 82 6.799 -2.617 -8.190 674 H GLY 83 HN GLY 83 5.855 -2.034 -9.213 675 1HA GLY 83 HA2 GLY 83 5.945 -2.035 -11.569 676 2HA GLY 83 HA1 GLY 83 4.637 -3.209 -11.600 677 H ILE 84 HN ILE 84 5.099 0.088 -10.366 678 HA ILE 84 HA ILE 84 3.655 1.887 -10.298 679 HB ILE 84 HB ILE 84 3.267 2.813 -12.446 680 1HG1 ILE 84 HG12 ILE 84 3.590 0.032 -13.619 681 2HG1 ILE 84 HG11 ILE 84 2.029 0.810 -13.356 682 1HG2 ILE 84 HG21 ILE 84 5.630 2.586 -11.922 683 2HG2 ILE 84 HG22 ILE 84 5.401 2.278 -13.644 684 3HG2 ILE 84 HG23 ILE 84 5.641 0.930 -12.531 685 1HD1 ILE 84 HD11 ILE 84 3.533 2.739 -14.696 686 2HD1 ILE 84 HD12 ILE 84 2.272 1.727 -15.399 687 3HD1 ILE 84 HD13 ILE 84 3.961 1.226 -15.495 688 H ASP 85 HN ASP 85 2.360 -1.071 -10.454 689 HA ASP 85 HA ASP 85 -0.391 -0.190 -11.009 690 1HB ASP 85 HB2 ASP 85 -0.964 -2.543 -11.038 691 2HB ASP 85 HB1 ASP 85 0.461 -2.308 -12.048 692 H LEU 86 HN LEU 86 1.553 0.111 -8.555 693 HA LEU 86 HA LEU 86 0.658 -1.180 -6.321 694 1HB LEU 86 HB2 LEU 86 1.296 1.774 -6.449 695 2HB LEU 86 HB1 LEU 86 1.422 0.720 -5.048 696 HG LEU 86 HG LEU 86 3.002 -0.691 -6.639 697 1HD1 LEU 86 HD11 LEU 86 4.249 1.616 -7.708 698 2HD1 LEU 86 HD12 LEU 86 2.552 1.727 -8.167 699 3HD1 LEU 86 HD13 LEU 86 3.493 0.300 -8.602 700 1HD2 LEU 86 HD21 LEU 86 4.890 0.987 -5.852 701 2HD2 LEU 86 HD22 LEU 86 3.971 0.063 -4.666 702 3HD2 LEU 86 HD23 LEU 86 3.556 1.746 -4.984 703 H THR 87 HN THR 87 -0.709 1.813 -7.705 704 HA THR 87 HA THR 87 -2.779 2.026 -5.774 705 HB THR 87 HB THR 87 -3.661 3.781 -7.149 706 HG1 THR 87 HG1 THR 87 -2.570 2.232 -9.114 707 1HG2 THR 87 HG21 THR 87 -1.551 5.045 -7.719 708 2HG2 THR 87 HG22 THR 87 -0.645 3.586 -7.320 709 3HG2 THR 87 HG23 THR 87 -1.595 4.401 -6.078 710 H ASP 88 HN ASP 88 -2.676 0.588 -9.024 711 HA ASP 88 HA ASP 88 -5.468 0.008 -9.105 712 1HB ASP 88 HB2 ASP 88 -3.112 -1.148 -10.611 713 2HB ASP 88 HB1 ASP 88 -4.792 -1.535 -10.961 714 H GLN 89 HN GLN 89 -2.571 -1.869 -8.286 715 HA GLN 89 HA GLN 89 -3.972 -4.271 -7.664 716 1HB GLN 89 HB2 GLN 89 -1.352 -3.632 -8.037 717 2HB GLN 89 HB1 GLN 89 -1.414 -3.757 -6.279 718 1HG GLN 89 HG2 GLN 89 -2.464 -5.989 -6.480 719 2HG GLN 89 HG1 GLN 89 -2.381 -5.863 -8.235 720 1HE2 GLN 89 HE21 GLN 89 0.359 -4.319 -7.324 721 2HE2 GLN 89 HE22 GLN 89 1.441 -5.625 -7.279 722 H LEU 90 HN LEU 90 -2.704 -1.580 -5.690 723 HA LEU 90 HA LEU 90 -3.394 -2.552 -3.162 724 1HB LEU 90 HB2 LEU 90 -2.016 -0.554 -3.486 725 2HB LEU 90 HB1 LEU 90 -3.403 0.308 -4.154 726 HG LEU 90 HG LEU 90 -4.602 -0.170 -1.956 727 1HD1 LEU 90 HD11 LEU 90 -1.919 -1.348 -1.437 728 2HD1 LEU 90 HD12 LEU 90 -3.497 -1.810 -0.798 729 3HD1 LEU 90 HD13 LEU 90 -2.644 -0.423 -0.122 730 1HD2 LEU 90 HD21 LEU 90 -3.891 2.043 -2.195 731 2HD2 LEU 90 HD22 LEU 90 -2.186 1.595 -2.249 732 3HD2 LEU 90 HD23 LEU 90 -3.060 1.555 -0.717 733 H ALA 91 HN ALA 91 -5.311 -0.608 -5.442 734 HA ALA 91 HA ALA 91 -7.587 -0.241 -3.859 735 1HB ALA 91 HB1 ALA 91 -8.798 0.049 -6.002 736 2HB ALA 91 HB2 ALA 91 -7.396 -0.585 -6.863 737 3HB ALA 91 HB3 ALA 91 -7.275 0.936 -5.979 738 H ASN 92 HN ASN 92 -6.640 -2.919 -5.954 739 HA ASN 92 HA ASN 92 -9.092 -4.384 -5.499 740 1HB ASN 92 HB2 ASN 92 -6.492 -5.003 -6.889 741 2HB ASN 92 HB1 ASN 92 -7.768 -6.196 -6.702 742 1HD2 ASN 92 HD21 ASN 92 -6.941 -5.220 -9.285 743 2HD2 ASN 92 HD22 ASN 92 -8.234 -4.345 -9.953 744 H GLN 93 HN GLN 93 -5.793 -4.391 -4.311 745 HA GLN 93 HA GLN 93 -6.036 -6.836 -2.843 746 1HB GLN 93 HB2 GLN 93 -4.003 -4.607 -2.677 747 2HB GLN 93 HB1 GLN 93 -3.846 -6.194 -1.927 748 1HG GLN 93 HG2 GLN 93 -4.488 -6.148 -4.825 749 2HG GLN 93 HG1 GLN 93 -2.862 -5.655 -4.366 750 1HE2 GLN 93 HE21 GLN 93 -4.145 -8.257 -5.600 751 2HE2 GLN 93 HE22 GLN 93 -3.419 -9.489 -4.690 752 H LEU 94 HN LEU 94 -6.335 -3.398 -2.068 753 HA LEU 94 HA LEU 94 -6.268 -3.541 0.697 754 1HB LEU 94 HB2 LEU 94 -6.309 -1.393 -0.260 755 2HB LEU 94 HB1 LEU 94 -7.773 -1.722 -1.170 756 HG LEU 94 HG LEU 94 -9.103 -1.770 0.855 757 1HD1 LEU 94 HD11 LEU 94 -7.758 -2.816 2.471 758 2HD1 LEU 94 HD12 LEU 94 -7.804 -1.146 3.036 759 3HD1 LEU 94 HD13 LEU 94 -6.392 -1.744 2.165 760 1HD2 LEU 94 HD21 LEU 94 -9.153 0.495 1.069 761 2HD2 LEU 94 HD22 LEU 94 -7.861 0.485 -0.132 762 3HD2 LEU 94 HD23 LEU 94 -7.468 0.569 1.585 763 HA PRO 95 HA PRO 95 -11.143 -4.279 0.687 764 1HB PRO 95 HB2 PRO 95 -11.608 -5.889 -1.647 765 2HB PRO 95 HB1 PRO 95 -12.324 -4.320 -1.251 766 1HG PRO 95 HG2 PRO 95 -10.149 -4.961 -3.083 767 2HG PRO 95 HG1 PRO 95 -11.153 -3.508 -2.985 768 1HD PRO 95 HD2 PRO 95 -8.505 -3.567 -2.266 769 2HD PRO 95 HD1 PRO 95 -9.693 -2.432 -1.587 770 H GLN 96 HN GLN 96 -8.941 -6.486 -1.010 771 HA GLN 96 HA GLN 96 -9.924 -8.920 0.002 772 1HB GLN 96 HB2 GLN 96 -7.135 -8.153 -0.887 773 2HB GLN 96 HB1 GLN 96 -7.679 -9.808 -0.605 774 1HG GLN 96 HG2 GLN 96 -9.437 -9.525 -2.308 775 2HG GLN 96 HG1 GLN 96 -8.897 -7.872 -2.590 776 1HE2 GLN 96 HE21 GLN 96 -6.069 -9.403 -1.967 777 2HE2 GLN 96 HE22 GLN 96 -5.644 -9.901 -3.533 778 H TRP 97 HN TRP 97 -7.603 -6.612 1.282 779 HA TRP 97 HA TRP 97 -6.611 -8.212 3.400 780 1HB TRP 97 HB2 TRP 97 -6.851 -5.195 3.270 781 2HB TRP 97 HB1 TRP 97 -5.782 -6.117 4.328 782 HD1 TRP 97 HD1 TRP 97 -5.488 -8.165 1.538 783 HE1 TRP 97 HE1 TRP 97 -3.594 -7.485 -0.075 784 HE3 TRP 97 HE3 TRP 97 -4.688 -3.364 3.092 785 HZ2 TRP 97 HZ2 TRP 97 -1.958 -5.206 -0.633 786 HZ3 TRP 97 HZ3 TRP 97 -2.957 -1.964 2.002 787 HH2 TRP 97 HH2 TRP 97 -1.594 -2.877 0.144 788 H LEU 98 HN LEU 98 -9.304 -5.919 3.175 789 HA LEU 98 HA LEU 98 -10.054 -6.074 5.916 790 1HB LEU 98 HB2 LEU 98 -11.710 -5.331 3.492 791 2HB LEU 98 HB1 LEU 98 -12.106 -4.975 5.171 792 HG LEU 98 HG LEU 98 -9.545 -4.047 3.861 793 1HD1 LEU 98 HD11 LEU 98 -12.298 -2.879 3.882 794 2HD1 LEU 98 HD12 LEU 98 -11.053 -2.793 2.635 795 3HD1 LEU 98 HD13 LEU 98 -10.931 -1.780 4.074 796 1HD2 LEU 98 HD21 LEU 98 -10.967 -3.556 6.471 797 2HD2 LEU 98 HD22 LEU 98 -9.860 -2.346 5.823 798 3HD2 LEU 98 HD23 LEU 98 -9.274 -3.967 6.194 799 H VAL 99 HN VAL 99 -10.966 -7.814 2.994 800 HA VAL 99 HA VAL 99 -13.138 -9.271 4.075 801 HB VAL 99 HB VAL 99 -11.273 -9.830 1.765 802 1HG1 VAL 99 HG11 VAL 99 -13.284 -11.418 1.168 803 2HG1 VAL 99 HG12 VAL 99 -13.552 -11.419 2.912 804 3HG1 VAL 99 HG13 VAL 99 -12.018 -11.988 2.254 805 1HG2 VAL 99 HG21 VAL 99 -12.824 -7.881 1.593 806 2HG2 VAL 99 HG22 VAL 99 -14.182 -8.965 1.894 807 3HG2 VAL 99 HG23 VAL 99 -13.213 -9.150 0.431 808 H GLN 100 HN GLN 100 -9.684 -9.989 3.806 809 HA GLN 100 HA GLN 100 -8.359 -11.551 4.852 810 1HB GLN 100 HB2 GLN 100 -10.603 -11.491 6.885 811 2HB GLN 100 HB1 GLN 100 -8.978 -12.125 7.155 812 1HG GLN 100 HG2 GLN 100 -8.022 -9.904 6.691 813 2HG GLN 100 HG1 GLN 100 -9.639 -9.263 6.403 814 1HE2 GLN 100 HE21 GLN 100 -10.909 -8.692 8.233 815 2HE2 GLN 100 HE22 GLN 100 -10.372 -8.873 9.832 816 H GLN 101 HN GLN 101 -8.013 -13.650 4.455 817 HA GLN 101 HA GLN 101 -8.396 -15.832 3.848 818 1HB GLN 101 HB2 GLN 101 -10.816 -15.428 5.619 819 2HB GLN 101 HB1 GLN 101 -10.208 -16.990 5.067 820 1HG GLN 101 HG2 GLN 101 -8.090 -16.619 6.210 821 2HG GLN 101 HG1 GLN 101 -8.591 -14.996 6.676 822 1HE2 GLN 101 HE21 GLN 101 -7.898 -16.694 8.750 823 2HE2 GLN 101 HE22 GLN 101 -9.286 -17.203 9.584 824 H GLU 102 HN GLU 102 -10.972 -17.112 3.549 825 HA GLU 102 HA GLU 102 -12.502 -17.536 1.891 826 1HB GLU 102 HB2 GLU 102 -12.597 -14.511 1.786 827 2HB GLU 102 HB1 GLU 102 -13.787 -15.600 1.069 828 1HG GLU 102 HG2 GLU 102 -13.087 -15.465 4.017 829 2HG GLU 102 HG1 GLU 102 -14.536 -14.780 3.280 830 H GLY 103 HN GLY 103 -12.855 -17.493 -0.430 831 1HA GLY 103 HA2 GLY 103 -12.148 -17.492 -2.622 832 2HA GLY 103 HA1 GLY 103 -11.193 -16.064 -2.228 833 H ILE 104 HN ILE 104 -9.039 -16.262 -2.220 834 HA ILE 104 HA ILE 104 -7.892 -18.947 -2.530 835 HB ILE 104 HB ILE 104 -6.538 -16.255 -2.815 836 1HG1 ILE 104 HG12 ILE 104 -7.036 -17.623 -5.304 837 2HG1 ILE 104 HG11 ILE 104 -8.560 -17.416 -4.441 838 1HG2 ILE 104 HG21 ILE 104 -5.804 -18.964 -3.957 839 2HG2 ILE 104 HG22 ILE 104 -5.128 -18.329 -2.457 840 3HG2 ILE 104 HG23 ILE 104 -4.830 -17.494 -3.981 841 1HD1 ILE 104 HD11 ILE 104 -6.602 -15.138 -4.731 842 2HD1 ILE 104 HD12 ILE 104 -8.323 -15.065 -4.349 843 3HD1 ILE 104 HD13 ILE 104 -7.799 -15.487 -5.979 844 H PHE 105 HN PHE 105 -6.983 -19.942 -0.851 845 HA PHE 105 HA PHE 105 -6.281 -18.345 1.526 846 1HB PHE 105 HB2 PHE 105 -6.252 -21.283 1.737 847 2HB PHE 105 HB1 PHE 105 -6.986 -20.081 2.798 848 HD1 PHE 105 HD1 PHE 105 -9.099 -18.849 1.887 849 HD2 PHE 105 HD2 PHE 105 -7.605 -22.553 0.303 850 HE1 PHE 105 HE1 PHE 105 -11.319 -19.315 0.882 851 HE2 PHE 105 HE2 PHE 105 -9.825 -23.017 -0.702 852 HZ PHE 105 HZ PHE 105 -11.680 -21.399 -0.413 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 -12.827 -3.770 38.645 2 2H GLY 1 HT2 GLY 1 -14.258 -4.679 38.768 3 3H GLY 1 HT3 GLY 1 -14.299 -3.109 38.121 4 1HA GLY 1 HA2 GLY 1 -14.236 -5.306 36.625 5 2HA GLY 1 HA1 GLY 1 -13.595 -3.748 36.101 6 H SER 2 HN SER 2 -12.644 -6.317 35.235 7 HA SER 2 HA SER 2 -9.870 -6.145 36.233 8 1HB SER 2 HB2 SER 2 -10.754 -8.121 37.263 9 2HB SER 2 HB1 SER 2 -11.502 -8.645 35.757 10 HG SER 2 HG SER 2 -9.299 -9.498 36.486 11 H SER 3 HN SER 3 -10.175 -8.710 34.186 12 HA SER 3 HA SER 3 -8.866 -7.299 32.034 13 1HB SER 3 HB2 SER 3 -8.603 -9.495 31.029 14 2HB SER 3 HB1 SER 3 -8.188 -9.582 32.738 15 HG SER 3 HG SER 3 -10.850 -10.000 32.140 16 H LEU 4 HN LEU 4 -12.047 -7.584 32.852 17 HA LEU 4 HA LEU 4 -13.197 -8.196 30.294 18 1HB LEU 4 HB2 LEU 4 -14.440 -8.487 32.418 19 2HB LEU 4 HB1 LEU 4 -14.413 -6.740 32.656 20 HG LEU 4 HG LEU 4 -15.536 -6.546 30.371 21 1HD1 LEU 4 HD11 LEU 4 -15.540 -8.493 29.203 22 2HD1 LEU 4 HD12 LEU 4 -16.914 -8.928 30.219 23 3HD1 LEU 4 HD13 LEU 4 -15.292 -9.466 30.652 24 1HD2 LEU 4 HD21 LEU 4 -17.762 -7.578 31.454 25 2HD2 LEU 4 HD22 LEU 4 -17.037 -6.090 32.062 26 3HD2 LEU 4 HD23 LEU 4 -16.734 -7.620 32.886 27 H SER 5 HN SER 5 -12.751 -6.919 28.609 28 HA SER 5 HA SER 5 -13.649 -4.201 28.575 29 1HB SER 5 HB2 SER 5 -11.252 -4.298 29.705 30 2HB SER 5 HB1 SER 5 -10.722 -4.391 28.029 31 HG SER 5 HG SER 5 -11.851 -2.311 29.436 32 HA PRO 6 HA PRO 6 -13.494 -6.267 24.479 33 1HB PRO 6 HB2 PRO 6 -16.118 -5.194 23.959 34 2HB PRO 6 HB1 PRO 6 -15.656 -6.883 24.210 35 1HG PRO 6 HG2 PRO 6 -17.191 -5.369 25.934 36 2HG PRO 6 HG1 PRO 6 -16.339 -6.862 26.353 37 1HD PRO 6 HD2 PRO 6 -15.592 -4.038 26.955 38 2HD PRO 6 HD1 PRO 6 -15.255 -5.521 27.878 39 H GLN 7 HN GLN 7 -13.643 -3.124 25.617 40 HA GLN 7 HA GLN 7 -13.983 -1.727 23.126 41 1HB GLN 7 HB2 GLN 7 -14.008 -1.031 25.825 42 2HB GLN 7 HB1 GLN 7 -12.562 -0.247 25.188 43 1HG GLN 7 HG2 GLN 7 -15.348 -0.031 24.009 44 2HG GLN 7 HG1 GLN 7 -14.532 1.217 24.951 45 1HE2 GLN 7 HE21 GLN 7 -15.377 0.900 21.924 46 2HE2 GLN 7 HE22 GLN 7 -13.987 1.421 21.102 47 H ALA 8 HN ALA 8 -11.641 -3.753 23.995 48 HA ALA 8 HA ALA 8 -9.272 -2.222 23.478 49 1HB ALA 8 HB1 ALA 8 -9.377 -4.391 24.781 50 2HB ALA 8 HB2 ALA 8 -8.114 -4.317 23.553 51 3HB ALA 8 HB3 ALA 8 -9.598 -5.217 23.239 52 H LEU 9 HN LEU 9 -8.720 -1.440 21.568 53 HA LEU 9 HA LEU 9 -9.861 -2.558 19.145 54 1HB LEU 9 HB2 LEU 9 -9.011 -0.608 18.005 55 2HB LEU 9 HB1 LEU 9 -9.835 -0.109 19.471 56 HG LEU 9 HG LEU 9 -7.888 1.202 19.457 57 1HD1 LEU 9 HD11 LEU 9 -6.506 0.410 21.298 58 2HD1 LEU 9 HD12 LEU 9 -7.112 -1.228 21.089 59 3HD1 LEU 9 HD13 LEU 9 -8.198 0.057 21.625 60 1HD2 LEU 9 HD21 LEU 9 -6.876 -0.455 17.647 61 2HD2 LEU 9 HD22 LEU 9 -5.999 -1.074 19.046 62 3HD2 LEU 9 HD23 LEU 9 -5.840 0.617 18.584 63 H ALA 10 HN ALA 10 -8.695 -3.340 17.392 64 HA ALA 10 HA ALA 10 -6.479 -4.982 18.046 65 1HB ALA 10 HB1 ALA 10 -7.650 -5.892 16.299 66 2HB ALA 10 HB2 ALA 10 -6.408 -5.042 15.378 67 3HB ALA 10 HB3 ALA 10 -8.005 -4.322 15.579 68 H GLN 11 HN GLN 11 -4.495 -4.970 16.474 69 HA GLN 11 HA GLN 11 -3.132 -2.460 16.953 70 1HB GLN 11 HB2 GLN 11 -2.172 -5.016 15.642 71 2HB GLN 11 HB1 GLN 11 -1.152 -3.645 16.075 72 1HG GLN 11 HG2 GLN 11 -2.873 -5.099 18.092 73 2HG GLN 11 HG1 GLN 11 -1.200 -5.548 17.763 74 1HE2 GLN 11 HE21 GLN 11 0.055 -3.073 17.501 75 2HE2 GLN 11 HE22 GLN 11 -0.086 -2.196 18.947 76 HA PRO 12 HA PRO 12 -3.816 -0.529 13.057 77 1HB PRO 12 HB2 PRO 12 -1.105 0.383 12.799 78 2HB PRO 12 HB1 PRO 12 -2.527 1.306 13.301 79 1HG PRO 12 HG2 PRO 12 -0.367 0.283 14.902 80 2HG PRO 12 HG1 PRO 12 -1.685 1.366 15.364 81 1HD PRO 12 HD2 PRO 12 -1.375 -1.311 16.170 82 2HD PRO 12 HD1 PRO 12 -2.835 -0.320 16.359 83 H LEU 13 HN LEU 13 -3.094 -0.551 10.804 84 HA LEU 13 HA LEU 13 -2.003 -3.143 10.050 85 1HB LEU 13 HB2 LEU 13 -4.032 -2.059 8.960 86 2HB LEU 13 HB1 LEU 13 -2.910 -0.916 8.226 87 HG LEU 13 HG LEU 13 -2.628 -3.917 7.947 88 1HD1 LEU 13 HD11 LEU 13 -4.562 -3.647 6.737 89 2HD1 LEU 13 HD12 LEU 13 -3.420 -3.098 5.508 90 3HD1 LEU 13 HD13 LEU 13 -4.286 -1.922 6.497 91 1HD2 LEU 13 HD21 LEU 13 -1.134 -1.538 7.042 92 2HD2 LEU 13 HD22 LEU 13 -1.492 -2.690 5.760 93 3HD2 LEU 13 HD23 LEU 13 -0.598 -3.210 7.187 94 H LEU 14 HN LEU 14 0.016 -3.479 9.223 95 HA LEU 14 HA LEU 14 1.751 -1.124 9.067 96 1HB LEU 14 HB2 LEU 14 2.460 -4.064 9.135 97 2HB LEU 14 HB1 LEU 14 3.578 -2.710 9.268 98 HG LEU 14 HG LEU 14 1.418 -3.523 11.219 99 1HD1 LEU 14 HD11 LEU 14 4.161 -2.855 12.094 100 2HD1 LEU 14 HD12 LEU 14 4.034 -4.284 11.069 101 3HD1 LEU 14 HD13 LEU 14 3.118 -4.194 12.575 102 1HD2 LEU 14 HD21 LEU 14 2.323 -1.449 12.491 103 2HD2 LEU 14 HD22 LEU 14 1.185 -1.171 11.173 104 3HD2 LEU 14 HD23 LEU 14 2.912 -0.918 10.917 105 H LEU 15 HN LEU 15 2.072 -0.273 7.179 106 HA LEU 15 HA LEU 15 2.198 -2.002 4.788 107 1HB LEU 15 HB2 LEU 15 0.059 -0.609 5.079 108 2HB LEU 15 HB1 LEU 15 1.075 0.808 4.833 109 HG LEU 15 HG LEU 15 -0.034 0.028 2.742 110 1HD1 LEU 15 HD11 LEU 15 2.843 -0.529 2.268 111 2HD1 LEU 15 HD12 LEU 15 2.460 0.995 3.069 112 3HD1 LEU 15 HD13 LEU 15 1.776 0.636 1.487 113 1HD2 LEU 15 HD21 LEU 15 1.830 -2.288 2.558 114 2HD2 LEU 15 HD22 LEU 15 0.193 -2.107 1.923 115 3HD2 LEU 15 HD23 LEU 15 0.438 -2.482 3.625 116 H GLN 16 HN GLN 16 4.003 -1.702 3.539 117 HA GLN 16 HA GLN 16 5.620 0.716 4.096 118 1HB GLN 16 HB2 GLN 16 6.476 -2.151 3.866 119 2HB GLN 16 HB1 GLN 16 7.600 -0.845 3.492 120 1HG GLN 16 HG2 GLN 16 7.177 0.150 5.711 121 2HG GLN 16 HG1 GLN 16 6.081 -1.182 6.094 122 1HE2 GLN 16 HE21 GLN 16 8.312 -2.713 4.277 123 2HE2 GLN 16 HE22 GLN 16 9.439 -3.151 5.469 124 H LEU 17 HN LEU 17 7.021 1.410 2.381 125 HA LEU 17 HA LEU 17 6.253 0.468 -0.293 126 1HB LEU 17 HB2 LEU 17 4.882 2.445 0.250 127 2HB LEU 17 HB1 LEU 17 6.353 3.364 0.552 128 HG LEU 17 HG LEU 17 7.045 2.672 -1.844 129 1HD1 LEU 17 HD11 LEU 17 5.504 1.027 -2.476 130 2HD1 LEU 17 HD12 LEU 17 4.838 2.467 -3.245 131 3HD1 LEU 17 HD13 LEU 17 4.147 1.875 -1.735 132 1HD2 LEU 17 HD21 LEU 17 5.888 4.598 -2.773 133 2HD2 LEU 17 HD22 LEU 17 6.322 4.955 -1.101 134 3HD2 LEU 17 HD23 LEU 17 4.662 4.517 -1.508 135 H PHE 18 HN PHE 18 7.953 0.125 -1.573 136 HA PHE 18 HA PHE 18 10.577 1.152 -0.730 137 1HB PHE 18 HB2 PHE 18 9.698 -1.098 -2.526 138 2HB PHE 18 HB1 PHE 18 11.343 -0.472 -2.597 139 HD1 PHE 18 HD1 PHE 18 8.808 -2.012 -0.350 140 HD2 PHE 18 HD2 PHE 18 12.939 -0.976 -0.908 141 HE1 PHE 18 HE1 PHE 18 9.417 -3.368 1.635 142 HE2 PHE 18 HE2 PHE 18 13.553 -2.330 1.075 143 HZ PHE 18 HZ PHE 18 11.786 -3.525 2.351 144 H VAL 19 HN VAL 19 11.380 2.886 -1.716 145 HA VAL 19 HA VAL 19 10.615 3.370 -4.529 146 HB VAL 19 HB VAL 19 10.283 5.708 -4.098 147 1HG1 VAL 19 HG11 VAL 19 8.433 4.056 -3.534 148 2HG1 VAL 19 HG12 VAL 19 8.310 5.619 -2.725 149 3HG1 VAL 19 HG13 VAL 19 8.913 4.215 -1.845 150 1HG2 VAL 19 HG21 VAL 19 11.998 6.116 -2.446 151 2HG2 VAL 19 HG22 VAL 19 11.226 5.020 -1.299 152 3HG2 VAL 19 HG23 VAL 19 10.453 6.550 -1.715 153 H ASP 20 HN ASP 20 12.079 4.726 -5.709 154 HA ASP 20 HA ASP 20 14.859 4.416 -4.804 155 1HB ASP 20 HB2 ASP 20 15.473 4.769 -7.131 156 2HB ASP 20 HB1 ASP 20 14.232 3.520 -7.040 157 H THR 21 HN THR 21 12.761 6.503 -4.052 158 HA THR 21 HA THR 21 12.855 8.681 -3.347 159 HB THR 21 HB THR 21 14.901 9.845 -3.262 160 HG1 THR 21 HG1 THR 21 15.512 9.800 -5.380 161 1HG2 THR 21 HG21 THR 21 15.775 6.952 -3.350 162 2HG2 THR 21 HG22 THR 21 14.812 7.618 -2.034 163 3HG2 THR 21 HG23 THR 21 16.427 8.249 -2.352 164 H ARG 22 HN ARG 22 12.655 7.658 -6.442 165 HA ARG 22 HA ARG 22 12.880 10.156 -7.850 166 1HB ARG 22 HB2 ARG 22 12.109 9.001 -9.752 167 2HB ARG 22 HB1 ARG 22 13.047 7.808 -8.860 168 1HG ARG 22 HG2 ARG 22 10.894 7.034 -7.793 169 2HG ARG 22 HG1 ARG 22 10.037 8.105 -8.901 170 1HD ARG 22 HD2 ARG 22 10.405 6.764 -10.693 171 2HD ARG 22 HD1 ARG 22 12.039 6.359 -10.181 172 HE ARG 22 HE ARG 22 9.779 5.142 -8.741 173 1HH1 ARG 22 HH11 ARG 22 10.913 4.413 -11.698 174 2HH1 ARG 22 HH12 ARG 22 11.675 2.910 -11.301 175 1HH2 ARG 22 HH21 ARG 22 11.438 3.395 -7.875 176 2HH2 ARG 22 HH22 ARG 22 11.977 2.334 -9.135 177 HA PRO 23 HA PRO 23 9.114 12.136 -6.807 178 1HB PRO 23 HB2 PRO 23 8.418 12.836 -9.501 179 2HB PRO 23 HB1 PRO 23 9.143 13.861 -8.257 180 1HG PRO 23 HG2 PRO 23 10.368 12.628 -10.555 181 2HG PRO 23 HG1 PRO 23 11.025 13.846 -9.454 182 1HD PRO 23 HD2 PRO 23 11.846 11.171 -9.608 183 2HD PRO 23 HD1 PRO 23 12.201 12.288 -8.277 184 H LEU 24 HN LEU 24 9.039 9.949 -9.613 185 HA LEU 24 HA LEU 24 6.282 9.647 -9.902 186 1HB LEU 24 HB2 LEU 24 7.962 8.667 -11.441 187 2HB LEU 24 HB1 LEU 24 8.386 7.487 -10.201 188 HG LEU 24 HG LEU 24 5.870 6.896 -10.176 189 1HD1 LEU 24 HD11 LEU 24 5.770 9.040 -11.950 190 2HD1 LEU 24 HD12 LEU 24 4.491 7.855 -11.688 191 3HD1 LEU 24 HD13 LEU 24 5.651 7.626 -12.996 192 1HD2 LEU 24 HD21 LEU 24 6.217 5.552 -12.383 193 2HD2 LEU 24 HD22 LEU 24 7.322 5.260 -11.039 194 3HD2 LEU 24 HD23 LEU 24 7.822 6.283 -12.386 195 H SER 25 HN SER 25 8.520 7.903 -7.759 196 HA SER 25 HA SER 25 6.581 6.199 -6.598 197 1HB SER 25 HB2 SER 25 9.126 7.210 -5.312 198 2HB SER 25 HB1 SER 25 8.245 5.736 -4.921 199 HG SER 25 HG SER 25 9.923 5.197 -6.281 200 H GLN 26 HN GLN 26 7.883 9.376 -5.726 201 HA GLN 26 HA GLN 26 6.422 9.690 -3.307 202 1HB GLN 26 HB2 GLN 26 7.368 11.850 -5.213 203 2HB GLN 26 HB1 GLN 26 6.973 12.051 -3.505 204 1HG GLN 26 HG2 GLN 26 9.247 10.424 -4.670 205 2HG GLN 26 HG1 GLN 26 9.379 11.887 -3.697 206 1HE2 GLN 26 HE21 GLN 26 9.986 8.744 -3.352 207 2HE2 GLN 26 HE22 GLN 26 9.487 8.484 -1.751 208 H HIS 27 HN HIS 27 5.797 10.186 -6.674 209 HA HIS 27 HA HIS 27 3.398 11.679 -6.567 210 1HB HIS 27 HB2 HIS 27 5.043 10.821 -8.525 211 2HB HIS 27 HB1 HIS 27 3.796 9.586 -8.650 212 HD1 HIS 27 HD1 HIS 27 1.369 11.499 -7.919 213 HD2 HIS 27 HD2 HIS 27 4.319 12.273 -10.764 214 HE1 HIS 27 HE1 HIS 27 0.372 13.172 -9.542 215 H ILE 28 HN ILE 28 4.057 8.227 -6.928 216 HA ILE 28 HA ILE 28 1.393 7.320 -6.705 217 HB ILE 28 HB ILE 28 4.043 5.937 -6.216 218 1HG1 ILE 28 HG12 ILE 28 2.116 5.861 -8.563 219 2HG1 ILE 28 HG11 ILE 28 3.597 6.818 -8.515 220 1HG2 ILE 28 HG21 ILE 28 2.390 3.919 -6.794 221 2HG2 ILE 28 HG22 ILE 28 1.196 5.001 -6.077 222 3HG2 ILE 28 HG23 ILE 28 2.592 4.480 -5.134 223 1HD1 ILE 28 HD11 ILE 28 4.858 5.022 -9.025 224 2HD1 ILE 28 HD12 ILE 28 3.359 4.147 -9.336 225 3HD1 ILE 28 HD13 ILE 28 4.114 4.066 -7.744 226 H VAL 29 HN VAL 29 3.899 8.062 -4.355 227 HA VAL 29 HA VAL 29 2.841 6.781 -2.105 228 HB VAL 29 HB VAL 29 4.452 9.309 -2.411 229 1HG1 VAL 29 HG11 VAL 29 3.272 8.045 0.055 230 2HG1 VAL 29 HG12 VAL 29 3.289 9.748 -0.404 231 3HG1 VAL 29 HG13 VAL 29 4.774 8.964 0.140 232 1HG2 VAL 29 HG21 VAL 29 5.193 6.725 -2.656 233 2HG2 VAL 29 HG22 VAL 29 5.342 6.903 -0.908 234 3HG2 VAL 29 HG23 VAL 29 6.262 7.955 -1.982 235 H GLN 30 HN GLN 30 2.158 10.008 -3.433 236 HA GLN 30 HA GLN 30 0.333 10.811 -1.441 237 1HB GLN 30 HB2 GLN 30 0.384 11.510 -4.391 238 2HB GLN 30 HB1 GLN 30 -0.590 12.335 -3.176 239 1HG GLN 30 HG2 GLN 30 2.430 12.189 -3.300 240 2HG GLN 30 HG1 GLN 30 1.421 13.617 -3.512 241 1HE2 GLN 30 HE21 GLN 30 3.537 12.845 -1.384 242 2HE2 GLN 30 HE22 GLN 30 2.743 13.141 0.087 243 H ARG 31 HN ARG 31 -0.070 9.022 -4.478 244 HA ARG 31 HA ARG 31 -2.888 8.771 -4.325 245 1HB ARG 31 HB2 ARG 31 -0.836 6.966 -5.626 246 2HB ARG 31 HB1 ARG 31 -2.578 6.850 -5.873 247 1HG ARG 31 HG2 ARG 31 -2.552 9.255 -6.626 248 2HG ARG 31 HG1 ARG 31 -0.790 9.188 -6.571 249 1HD ARG 31 HD2 ARG 31 -0.877 7.231 -8.133 250 2HD ARG 31 HD1 ARG 31 -2.615 7.479 -8.273 251 HE ARG 31 HE ARG 31 -0.587 9.466 -9.132 252 1HH1 ARG 31 HH11 ARG 31 -2.973 7.342 -10.193 253 2HH1 ARG 31 HH12 ARG 31 -3.790 8.478 -11.213 254 1HH2 ARG 31 HH21 ARG 31 -1.953 11.201 -10.102 255 2HH2 ARG 31 HH22 ARG 31 -3.212 10.661 -11.162 256 H VAL 32 HN VAL 32 -0.231 6.814 -3.052 257 HA VAL 32 HA VAL 32 -1.821 4.674 -2.096 258 HB VAL 32 HB VAL 32 0.872 5.731 -1.203 259 1HG1 VAL 32 HG11 VAL 32 -0.576 3.175 -0.444 260 2HG1 VAL 32 HG12 VAL 32 -0.197 4.514 0.640 261 3HG1 VAL 32 HG13 VAL 32 1.103 3.545 -0.050 262 1HG2 VAL 32 HG21 VAL 32 1.780 4.300 -2.748 263 2HG2 VAL 32 HG22 VAL 32 0.222 4.524 -3.541 264 3HG2 VAL 32 HG23 VAL 32 0.503 3.101 -2.538 265 H LYS 33 HN LYS 33 -0.488 7.542 -0.436 266 HA LYS 33 HA LYS 33 -1.724 7.065 2.049 267 1HB LYS 33 HB2 LYS 33 -0.799 9.632 0.758 268 2HB LYS 33 HB1 LYS 33 -1.310 9.492 2.435 269 1HG LYS 33 HG2 LYS 33 0.441 7.696 2.735 270 2HG LYS 33 HG1 LYS 33 1.027 8.092 1.117 271 1HD LYS 33 HD2 LYS 33 1.301 10.472 1.871 272 2HD LYS 33 HD1 LYS 33 0.896 9.948 3.506 273 1HE LYS 33 HE2 LYS 33 2.983 8.324 2.210 274 2HE LYS 33 HE1 LYS 33 3.444 10.005 2.477 275 1HZ LYS 33 HZ1 LYS 33 3.992 9.093 4.476 276 2HZ LYS 33 HZ2 LYS 33 2.757 7.928 4.427 277 3HZ LYS 33 HZ3 LYS 33 2.391 9.543 4.808 278 H ASN 34 HN ASN 34 -2.743 8.957 -0.771 279 HA ASN 34 HA ASN 34 -5.044 10.103 0.363 280 1HB ASN 34 HB2 ASN 34 -4.430 9.399 -2.513 281 2HB ASN 34 HB1 ASN 34 -5.732 10.458 -1.985 282 1HD2 ASN 34 HD21 ASN 34 -3.052 10.953 -3.523 283 2HD2 ASN 34 HD22 ASN 34 -2.362 12.266 -2.692 284 H ILE 35 HN ILE 35 -4.668 7.108 -1.540 285 HA ILE 35 HA ILE 35 -7.440 6.450 -1.502 286 HB ILE 35 HB ILE 35 -5.015 4.710 -1.940 287 1HG1 ILE 35 HG12 ILE 35 -6.979 5.893 -3.925 288 2HG1 ILE 35 HG11 ILE 35 -5.419 6.623 -3.548 289 1HG2 ILE 35 HG21 ILE 35 -6.664 3.139 -1.476 290 2HG2 ILE 35 HG22 ILE 35 -6.926 3.380 -3.203 291 3HG2 ILE 35 HG23 ILE 35 -7.965 4.192 -2.033 292 1HD1 ILE 35 HD11 ILE 35 -4.226 4.949 -4.602 293 2HD1 ILE 35 HD12 ILE 35 -5.698 4.905 -5.572 294 3HD1 ILE 35 HD13 ILE 35 -5.456 3.727 -4.282 295 H LEU 36 HN LEU 36 -4.681 5.283 0.452 296 HA LEU 36 HA LEU 36 -6.125 3.448 2.006 297 1HB LEU 36 HB2 LEU 36 -3.691 5.103 2.712 298 2HB LEU 36 HB1 LEU 36 -4.302 3.769 3.691 299 HG LEU 36 HG LEU 36 -3.463 3.538 0.786 300 1HD1 LEU 36 HD11 LEU 36 -1.426 2.641 1.514 301 2HD1 LEU 36 HD12 LEU 36 -2.047 2.287 3.126 302 3HD1 LEU 36 HD13 LEU 36 -1.684 3.951 2.666 303 1HD2 LEU 36 HD21 LEU 36 -3.498 1.030 1.644 304 2HD2 LEU 36 HD22 LEU 36 -4.983 1.806 1.092 305 3HD2 LEU 36 HD23 LEU 36 -4.643 1.677 2.818 306 H ALA 37 HN ALA 37 -5.546 6.907 2.434 307 HA ALA 37 HA ALA 37 -6.893 7.098 4.944 308 1HB ALA 37 HB1 ALA 37 -5.261 8.794 4.136 309 2HB ALA 37 HB2 ALA 37 -6.813 9.507 4.578 310 3HB ALA 37 HB3 ALA 37 -6.406 9.261 2.879 311 H ALA 38 HN ALA 38 -7.902 6.725 1.711 312 HA ALA 38 HA ALA 38 -10.482 8.000 2.051 313 1HB ALA 38 HB1 ALA 38 -10.220 6.153 -0.199 314 2HB ALA 38 HB2 ALA 38 -8.932 7.357 -0.139 315 3HB ALA 38 HB3 ALA 38 -10.619 7.871 -0.192 316 H VAL 39 HN VAL 39 -9.116 4.972 2.787 317 HA VAL 39 HA VAL 39 -11.605 3.481 2.570 318 HB VAL 39 HB VAL 39 -9.221 2.544 2.230 319 1HG1 VAL 39 HG11 VAL 39 -9.147 1.831 5.083 320 2HG1 VAL 39 HG12 VAL 39 -8.845 3.539 4.774 321 3HG1 VAL 39 HG13 VAL 39 -7.834 2.315 4.010 322 1HG2 VAL 39 HG21 VAL 39 -11.613 1.409 3.466 323 2HG2 VAL 39 HG22 VAL 39 -10.153 0.530 3.921 324 3HG2 VAL 39 HG23 VAL 39 -10.568 0.727 2.219 325 H GLU 40 HN GLU 40 -10.296 5.658 4.714 326 HA GLU 40 HA GLU 40 -10.588 6.113 6.965 327 1HB GLU 40 HB2 GLU 40 -13.366 5.076 6.365 328 2HB GLU 40 HB1 GLU 40 -12.909 6.281 7.571 329 1HG GLU 40 HG2 GLU 40 -12.614 6.584 4.568 330 2HG GLU 40 HG1 GLU 40 -13.839 7.367 5.565 331 H ALA 41 HN ALA 41 -13.115 4.180 7.842 332 HA ALA 41 HA ALA 41 -13.323 2.153 8.944 333 1HB ALA 41 HB1 ALA 41 -11.436 1.511 7.183 334 2HB ALA 41 HB2 ALA 41 -11.841 0.445 8.528 335 3HB ALA 41 HB3 ALA 41 -10.431 1.498 8.632 336 H THR 42 HN THR 42 -12.538 1.129 10.980 337 HA THR 42 HA THR 42 -11.692 3.203 12.828 338 HB THR 42 HB THR 42 -12.283 1.614 14.562 339 HG1 THR 42 HG1 THR 42 -12.606 -0.482 14.131 340 1HG2 THR 42 HG21 THR 42 -14.033 2.711 12.795 341 2HG2 THR 42 HG22 THR 42 -14.529 1.780 14.209 342 3HG2 THR 42 HG23 THR 42 -14.439 1.002 12.629 343 H VAL 43 HN VAL 43 -10.100 1.000 10.908 344 HA VAL 43 HA VAL 43 -7.824 0.842 12.782 345 HB VAL 43 HB VAL 43 -7.231 -1.184 11.274 346 1HG1 VAL 43 HG11 VAL 43 -8.515 -2.659 12.743 347 2HG1 VAL 43 HG12 VAL 43 -9.601 -1.332 13.159 348 3HG1 VAL 43 HG13 VAL 43 -7.913 -1.284 13.670 349 1HG2 VAL 43 HG21 VAL 43 -9.123 -2.284 10.240 350 2HG2 VAL 43 HG22 VAL 43 -9.049 -0.635 9.621 351 3HG2 VAL 43 HG23 VAL 43 -10.229 -1.059 10.861 352 HA PRO 44 HA PRO 44 -6.595 3.457 9.139 353 1HB PRO 44 HB2 PRO 44 -4.626 4.653 10.855 354 2HB PRO 44 HB1 PRO 44 -6.067 5.399 10.154 355 1HG PRO 44 HG2 PRO 44 -5.606 4.621 12.855 356 2HG PRO 44 HG1 PRO 44 -7.029 5.403 12.160 357 1HD PRO 44 HD2 PRO 44 -6.804 2.716 13.096 358 2HD PRO 44 HD1 PRO 44 -8.208 3.476 12.324 359 H ILE 45 HN ILE 45 -4.609 3.442 7.947 360 HA ILE 45 HA ILE 45 -2.847 1.198 8.690 361 HB ILE 45 HB ILE 45 -3.146 2.553 6.005 362 1HG1 ILE 45 HG12 ILE 45 -4.204 0.085 5.684 363 2HG1 ILE 45 HG11 ILE 45 -4.666 0.384 7.361 364 1HG2 ILE 45 HG21 ILE 45 -1.300 1.360 5.505 365 2HG2 ILE 45 HG22 ILE 45 -2.220 -0.111 5.813 366 3HG2 ILE 45 HG23 ILE 45 -1.287 0.635 7.114 367 1HD1 ILE 45 HD11 ILE 45 -5.379 2.748 6.374 368 2HD1 ILE 45 HD12 ILE 45 -6.461 1.361 6.272 369 3HD1 ILE 45 HD13 ILE 45 -5.494 1.829 4.874 370 H SER 46 HN SER 46 -0.640 1.416 8.784 371 HA SER 46 HA SER 46 0.374 4.183 8.865 372 1HB SER 46 HB2 SER 46 0.748 2.864 10.897 373 2HB SER 46 HB1 SER 46 1.540 1.605 9.954 374 HG SER 46 HG SER 46 2.967 3.426 9.255 375 H LEU 47 HN LEU 47 1.789 4.883 7.355 376 HA LEU 47 HA LEU 47 2.748 2.891 5.402 377 1HB LEU 47 HB2 LEU 47 1.273 5.087 4.894 378 2HB LEU 47 HB1 LEU 47 2.889 5.782 4.764 379 HG LEU 47 HG LEU 47 1.755 3.444 3.209 380 1HD1 LEU 47 HD11 LEU 47 1.205 5.634 2.304 381 2HD1 LEU 47 HD12 LEU 47 2.436 4.890 1.283 382 3HD1 LEU 47 HD13 LEU 47 2.887 6.146 2.434 383 1HD2 LEU 47 HD21 LEU 47 4.591 4.313 3.687 384 2HD2 LEU 47 HD22 LEU 47 4.146 3.649 2.116 385 3HD2 LEU 47 HD23 LEU 47 3.931 2.681 3.574 386 H GLN 48 HN GLN 48 4.847 2.525 5.175 387 HA GLN 48 HA GLN 48 6.776 4.488 6.240 388 1HB GLN 48 HB2 GLN 48 6.381 1.688 7.012 389 2HB GLN 48 HB1 GLN 48 8.044 2.064 6.557 390 1HG GLN 48 HG2 GLN 48 7.949 4.037 8.108 391 2HG GLN 48 HG1 GLN 48 6.361 3.485 8.639 392 1HE2 GLN 48 HE21 GLN 48 7.771 0.627 8.050 393 2HE2 GLN 48 HE22 GLN 48 8.526 0.328 9.540 394 H VAL 49 HN VAL 49 8.321 5.019 4.810 395 HA VAL 49 HA VAL 49 8.414 3.519 2.282 396 HB VAL 49 HB VAL 49 9.696 6.190 2.852 397 1HG1 VAL 49 HG11 VAL 49 10.560 5.192 0.868 398 2HG1 VAL 49 HG12 VAL 49 9.343 6.351 0.329 399 3HG1 VAL 49 HG13 VAL 49 8.963 4.629 0.371 400 1HG2 VAL 49 HG21 VAL 49 6.963 5.669 1.641 401 2HG2 VAL 49 HG22 VAL 49 7.698 7.240 1.958 402 3HG2 VAL 49 HG23 VAL 49 7.213 6.206 3.301 403 H ILE 50 HN ILE 50 10.171 2.468 1.596 404 HA ILE 50 HA ILE 50 12.604 2.633 3.264 405 HB ILE 50 HB ILE 50 11.710 0.276 1.590 406 1HG1 ILE 50 HG12 ILE 50 11.362 0.802 4.556 407 2HG1 ILE 50 HG11 ILE 50 10.066 0.728 3.369 408 1HG2 ILE 50 HG21 ILE 50 13.331 -0.616 3.619 409 2HG2 ILE 50 HG22 ILE 50 14.032 0.963 3.277 410 3HG2 ILE 50 HG23 ILE 50 13.893 -0.236 1.992 411 1HD1 ILE 50 HD11 ILE 50 11.911 -1.615 3.529 412 2HD1 ILE 50 HD12 ILE 50 10.189 -1.562 3.160 413 3HD1 ILE 50 HD13 ILE 50 10.738 -1.408 4.828 414 H ASN 51 HN ASN 51 14.327 3.462 2.224 415 HA ASN 51 HA ASN 51 14.150 3.936 -0.627 416 1HB ASN 51 HB2 ASN 51 16.236 4.647 1.444 417 2HB ASN 51 HB1 ASN 51 16.343 5.093 -0.253 418 1HD2 ASN 51 HD21 ASN 51 16.217 7.145 1.666 419 2HD2 ASN 51 HD22 ASN 51 14.708 7.914 1.565 420 H VAL 52 HN VAL 52 14.597 2.212 -1.904 421 HA VAL 52 HA VAL 52 16.120 -0.025 -1.239 422 HB VAL 52 HB VAL 52 16.219 -0.497 -3.624 423 1HG1 VAL 52 HG11 VAL 52 14.077 -1.011 -2.891 424 2HG1 VAL 52 HG12 VAL 52 13.707 0.178 -4.141 425 3HG1 VAL 52 HG13 VAL 52 13.717 0.656 -2.443 426 1HG2 VAL 52 HG21 VAL 52 16.271 2.374 -3.793 427 2HG2 VAL 52 HG22 VAL 52 14.900 1.776 -4.727 428 3HG2 VAL 52 HG23 VAL 52 16.527 1.196 -5.080 429 H ALA 53 HN ALA 53 17.100 3.153 -2.073 430 HA ALA 53 HA ALA 53 19.754 2.531 -2.952 431 1HB ALA 53 HB1 ALA 53 19.968 5.093 -2.220 432 2HB ALA 53 HB2 ALA 53 18.208 4.988 -2.284 433 3HB ALA 53 HB3 ALA 53 19.168 4.615 -3.717 434 H ASP 54 HN ASP 54 18.186 2.802 0.112 435 HA ASP 54 HA ASP 54 20.725 3.211 1.504 436 1HB ASP 54 HB2 ASP 54 17.867 3.172 2.476 437 2HB ASP 54 HB1 ASP 54 19.265 3.388 3.528 438 H GLN 55 HN GLN 55 18.124 0.823 1.182 439 HA GLN 55 HA GLN 55 19.948 -1.163 2.348 440 1HB GLN 55 HB2 GLN 55 18.210 -2.072 3.770 441 2HB GLN 55 HB1 GLN 55 18.430 -0.359 4.123 442 1HG GLN 55 HG2 GLN 55 16.144 -1.717 2.730 443 2HG GLN 55 HG1 GLN 55 16.111 -0.510 4.008 444 1HE2 GLN 55 HE21 GLN 55 15.857 1.651 3.376 445 2HE2 GLN 55 HE22 GLN 55 15.955 2.190 1.769 446 HA PRO 56 HA PRO 56 17.929 -2.756 -1.489 447 1HB PRO 56 HB2 PRO 56 20.545 -3.562 -2.382 448 2HB PRO 56 HB1 PRO 56 19.483 -2.330 -3.080 449 1HG PRO 56 HG2 PRO 56 21.886 -1.853 -1.797 450 2HG PRO 56 HG1 PRO 56 20.623 -0.656 -2.109 451 1HD PRO 56 HD2 PRO 56 21.307 -2.045 0.431 452 2HD PRO 56 HD1 PRO 56 20.563 -0.451 0.178 453 H GLN 57 HN GLN 57 19.781 -3.904 1.068 454 HA GLN 57 HA GLN 57 20.170 -6.615 0.320 455 1HB GLN 57 HB2 GLN 57 21.529 -5.777 2.065 456 2HB GLN 57 HB1 GLN 57 20.137 -5.181 2.969 457 1HG GLN 57 HG2 GLN 57 19.382 -7.442 3.411 458 2HG GLN 57 HG1 GLN 57 20.648 -8.109 2.379 459 1HE2 GLN 57 HE21 GLN 57 19.944 -7.813 5.559 460 2HE2 GLN 57 HE22 GLN 57 21.504 -7.632 6.202 461 H LEU 58 HN LEU 58 17.674 -5.102 2.433 462 HA LEU 58 HA LEU 58 16.326 -7.606 2.737 463 1HB LEU 58 HB2 LEU 58 14.474 -6.135 3.670 464 2HB LEU 58 HB1 LEU 58 16.009 -6.120 4.528 465 HG LEU 58 HG LEU 58 16.253 -4.114 2.581 466 1HD1 LEU 58 HD11 LEU 58 13.538 -4.117 3.911 467 2HD1 LEU 58 HD12 LEU 58 13.871 -4.174 2.182 468 3HD1 LEU 58 HD13 LEU 58 14.241 -2.715 3.105 469 1HD2 LEU 58 HD21 LEU 58 17.222 -3.841 4.737 470 2HD2 LEU 58 HD22 LEU 58 15.690 -4.152 5.552 471 3HD2 LEU 58 HD23 LEU 58 15.936 -2.636 4.687 472 H VAL 59 HN VAL 59 16.298 -5.080 0.391 473 HA VAL 59 HA VAL 59 13.715 -5.454 -0.722 474 HB VAL 59 HB VAL 59 16.289 -4.710 -2.149 475 1HG1 VAL 59 HG11 VAL 59 13.377 -4.152 -2.784 476 2HG1 VAL 59 HG12 VAL 59 14.401 -5.310 -3.631 477 3HG1 VAL 59 HG13 VAL 59 14.761 -3.587 -3.721 478 1HG2 VAL 59 HG21 VAL 59 14.204 -2.872 -0.947 479 2HG2 VAL 59 HG22 VAL 59 15.767 -2.422 -1.626 480 3HG2 VAL 59 HG23 VAL 59 15.690 -3.315 -0.107 481 H GLU 60 HN GLU 60 16.871 -6.979 -1.324 482 HA GLU 60 HA GLU 60 15.923 -8.799 -3.326 483 1HB GLU 60 HB2 GLU 60 18.344 -8.921 -1.506 484 2HB GLU 60 HB1 GLU 60 18.056 -10.002 -2.869 485 1HG GLU 60 HG2 GLU 60 18.003 -8.053 -4.392 486 2HG GLU 60 HG1 GLU 60 18.329 -6.987 -3.027 487 H TYR 61 HN TYR 61 16.178 -8.865 0.184 488 HA TYR 61 HA TYR 61 15.798 -11.586 0.665 489 1HB TYR 61 HB2 TYR 61 16.320 -9.891 2.417 490 2HB TYR 61 HB1 TYR 61 14.668 -9.291 2.285 491 HD1 TYR 61 HD1 TYR 61 16.712 -12.285 3.125 492 HD2 TYR 61 HD2 TYR 61 12.849 -10.419 3.331 493 HE1 TYR 61 HE1 TYR 61 15.939 -14.055 4.682 494 HE2 TYR 61 HE2 TYR 61 12.076 -12.190 4.886 495 HH TYR 61 HH TYR 61 14.092 -14.199 6.527 496 H TYR 62 HN TYR 62 13.456 -9.015 0.056 497 HA TYR 62 HA TYR 62 11.189 -10.819 0.225 498 1HB TYR 62 HB2 TYR 62 11.465 -7.925 -0.618 499 2HB TYR 62 HB1 TYR 62 9.933 -8.784 -0.523 500 HD1 TYR 62 HD1 TYR 62 12.030 -6.617 1.190 501 HD2 TYR 62 HD2 TYR 62 9.677 -10.151 1.823 502 HE1 TYR 62 HE1 TYR 62 11.914 -6.102 3.608 503 HE2 TYR 62 HE2 TYR 62 9.559 -9.639 4.244 504 HH TYR 62 HH TYR 62 10.138 -6.755 5.542 505 H ARG 63 HN ARG 63 13.551 -10.827 -1.830 506 HA ARG 63 HA ARG 63 13.839 -11.383 -4.034 507 1HB ARG 63 HB2 ARG 63 10.873 -11.992 -3.885 508 2HB ARG 63 HB1 ARG 63 11.977 -12.548 -5.144 509 1HG ARG 63 HG2 ARG 63 12.560 -13.145 -2.251 510 2HG ARG 63 HG1 ARG 63 11.423 -14.150 -3.149 511 1HD ARG 63 HD2 ARG 63 14.176 -13.533 -4.223 512 2HD ARG 63 HD1 ARG 63 13.890 -14.892 -3.143 513 HE ARG 63 HE ARG 63 12.217 -15.652 -4.877 514 1HH1 ARG 63 HH21 ARG 63 15.237 -15.822 -5.639 515 2HH1 ARG 63 HH22 ARG 63 15.165 -15.323 -7.296 516 1HH2 ARG 63 HH11 ARG 63 11.956 -14.037 -7.046 517 2HH2 ARG 63 HH12 ARG 63 13.309 -14.312 -8.092 518 H LEU 64 HN LEU 64 12.294 -8.856 -2.894 519 HA LEU 64 HA LEU 64 10.924 -7.656 -5.053 520 1HB LEU 64 HB2 LEU 64 11.029 -7.031 -2.535 521 2HB LEU 64 HB1 LEU 64 12.490 -6.155 -2.964 522 HG LEU 64 HG LEU 64 10.504 -4.704 -2.988 523 1HD1 LEU 64 HD11 LEU 64 12.537 -4.702 -4.709 524 2HD1 LEU 64 HD12 LEU 64 11.209 -3.549 -4.841 525 3HD1 LEU 64 HD13 LEU 64 11.233 -4.987 -5.863 526 1HD2 LEU 64 HD21 LEU 64 9.493 -6.022 -5.459 527 2HD2 LEU 64 HD22 LEU 64 8.610 -5.158 -4.200 528 3HD2 LEU 64 HD23 LEU 64 9.141 -6.818 -3.923 529 H VAL 65 HN VAL 65 11.694 -6.684 -6.869 530 HA VAL 65 HA VAL 65 14.477 -5.768 -6.925 531 HB VAL 65 HB VAL 65 13.654 -7.277 -9.328 532 1HG1 VAL 65 HG11 VAL 65 15.961 -7.687 -9.478 533 2HG1 VAL 65 HG12 VAL 65 16.198 -7.528 -7.738 534 3HG1 VAL 65 HG13 VAL 65 15.904 -6.095 -8.723 535 1HG2 VAL 65 HG21 VAL 65 14.366 -9.428 -8.224 536 2HG2 VAL 65 HG22 VAL 65 12.821 -8.806 -7.646 537 3HG2 VAL 65 HG23 VAL 65 14.278 -8.599 -6.671 538 H VAL 66 HN VAL 66 11.233 -5.307 -7.784 539 HA VAL 66 HA VAL 66 11.983 -3.394 -9.890 540 HB VAL 66 HB VAL 66 9.570 -3.456 -10.482 541 1HG1 VAL 66 HG11 VAL 66 10.921 -6.164 -10.439 542 2HG1 VAL 66 HG12 VAL 66 11.229 -4.897 -11.628 543 3HG1 VAL 66 HG13 VAL 66 9.641 -5.659 -11.543 544 1HG2 VAL 66 HG21 VAL 66 8.051 -4.905 -9.463 545 2HG2 VAL 66 HG22 VAL 66 8.981 -4.299 -8.092 546 3HG2 VAL 66 HG23 VAL 66 9.327 -5.897 -8.755 547 H THR 67 HN THR 67 11.420 -1.271 -9.718 548 HA THR 67 HA THR 67 9.938 -0.444 -7.325 549 HB THR 67 HB THR 67 11.590 1.436 -7.042 550 HG1 THR 67 HG1 THR 67 12.450 0.986 -9.242 551 1HG2 THR 67 HG21 THR 67 13.447 -0.352 -6.279 552 2HG2 THR 67 HG22 THR 67 12.104 -1.460 -6.565 553 3HG2 THR 67 HG23 THR 67 11.931 -0.142 -5.406 554 HA PRO 68 HA PRO 68 9.431 1.605 -6.482 555 1HB PRO 68 HB2 PRO 68 6.713 2.540 -6.646 556 2HB PRO 68 HB1 PRO 68 8.159 3.451 -6.187 557 1HG PRO 68 HG2 PRO 68 6.673 3.811 -8.497 558 2HG PRO 68 HG1 PRO 68 8.312 4.410 -8.211 559 1HD PRO 68 HD2 PRO 68 7.416 2.098 -9.844 560 2HD PRO 68 HD1 PRO 68 8.873 3.099 -10.006 561 H ALA 69 HN ALA 69 8.241 0.437 -4.878 562 HA ALA 69 HA ALA 69 6.190 -1.427 -5.815 563 1HB ALA 69 HB1 ALA 69 8.830 -2.269 -4.609 564 2HB ALA 69 HB2 ALA 69 8.175 -2.726 -6.182 565 3HB ALA 69 HB3 ALA 69 7.423 -3.327 -4.704 566 H LEU 70 HN LEU 70 4.810 -2.108 -4.194 567 HA LEU 70 HA LEU 70 5.279 -0.957 -1.518 568 1HB LEU 70 HB2 LEU 70 3.442 0.083 -2.951 569 2HB LEU 70 HB1 LEU 70 2.570 -1.431 -2.747 570 HG LEU 70 HG LEU 70 3.653 0.111 -0.392 571 1HD1 LEU 70 HD11 LEU 70 1.439 0.788 -2.156 572 2HD1 LEU 70 HD12 LEU 70 2.121 1.711 -0.817 573 3HD1 LEU 70 HD13 LEU 70 0.881 0.495 -0.509 574 1HD2 LEU 70 HD21 LEU 70 2.004 -2.299 -0.847 575 2HD2 LEU 70 HD22 LEU 70 1.369 -1.191 0.364 576 3HD2 LEU 70 HD23 LEU 70 2.991 -1.855 0.543 577 H VAL 71 HN VAL 71 5.089 -2.314 0.225 578 HA VAL 71 HA VAL 71 4.023 -5.016 -0.313 579 HB VAL 71 HB VAL 71 6.499 -4.406 1.308 580 1HG1 VAL 71 HG11 VAL 71 5.161 -6.982 0.428 581 2HG1 VAL 71 HG12 VAL 71 5.373 -6.407 2.081 582 3HG1 VAL 71 HG13 VAL 71 6.776 -6.901 1.133 583 1HG2 VAL 71 HG21 VAL 71 6.054 -5.100 -1.570 584 2HG2 VAL 71 HG22 VAL 71 7.427 -5.844 -0.750 585 3HG2 VAL 71 HG23 VAL 71 7.303 -4.088 -0.844 586 H LYS 72 HN LYS 72 2.596 -5.742 1.086 587 HA LYS 72 HA LYS 72 2.101 -4.252 3.571 588 1HB LYS 72 HB2 LYS 72 0.217 -4.822 1.982 589 2HB LYS 72 HB1 LYS 72 0.480 -6.520 2.379 590 1HG LYS 72 HG2 LYS 72 0.299 -4.787 4.745 591 2HG LYS 72 HG1 LYS 72 -1.173 -4.802 3.775 592 1HD LYS 72 HD2 LYS 72 0.173 -7.413 4.361 593 2HD LYS 72 HD1 LYS 72 -0.770 -6.645 5.639 594 1HE LYS 72 HE2 LYS 72 -2.768 -6.787 4.432 595 2HE LYS 72 HE1 LYS 72 -1.936 -6.918 2.883 596 1HZ LYS 72 HZ1 LYS 72 -1.420 -9.024 4.827 597 2HZ LYS 72 HZ2 LYS 72 -1.598 -9.119 3.140 598 3HZ LYS 72 HZ3 LYS 72 -2.969 -9.001 4.137 599 H ILE 73 HN ILE 73 2.689 -5.053 5.527 600 HA ILE 73 HA ILE 73 3.862 -7.752 5.532 601 HB ILE 73 HB ILE 73 4.592 -6.816 7.923 602 1HG1 ILE 73 HG12 ILE 73 3.210 -4.678 7.193 603 2HG1 ILE 73 HG11 ILE 73 4.726 -4.503 8.072 604 1HG2 ILE 73 HG21 ILE 73 5.786 -6.237 5.206 605 2HG2 ILE 73 HG22 ILE 73 6.195 -7.549 6.312 606 3HG2 ILE 73 HG23 ILE 73 6.640 -5.889 6.710 607 1HD1 ILE 73 HD11 ILE 73 4.627 -4.543 5.050 608 2HD1 ILE 73 HD12 ILE 73 5.935 -3.978 6.090 609 3HD1 ILE 73 HD13 ILE 73 4.440 -3.050 5.971 610 H GLY 74 HN GLY 74 1.191 -5.923 6.841 611 1HA GLY 74 HA2 GLY 74 -0.490 -7.865 7.484 612 2HA GLY 74 HA1 GLY 74 0.640 -8.007 8.824 613 HA PRO 75 HA PRO 75 -0.633 -8.436 10.518 614 1HB PRO 75 HB2 PRO 75 -3.453 -8.523 11.058 615 2HB PRO 75 HB1 PRO 75 -2.115 -8.427 12.210 616 1HG PRO 75 HG2 PRO 75 -3.962 -6.402 11.511 617 2HG PRO 75 HG1 PRO 75 -2.586 -6.292 12.612 618 1HD PRO 75 HD2 PRO 75 -2.863 -5.138 9.983 619 2HD PRO 75 HD1 PRO 75 -1.515 -4.966 11.125 620 H GLY 76 HN GLY 76 -1.537 -10.527 9.898 621 1HA GLY 76 HA2 GLY 76 -2.917 -11.890 8.493 622 2HA GLY 76 HA1 GLY 76 -3.151 -10.503 7.433 623 H SER 77 HN SER 77 -2.538 -12.301 5.852 624 HA SER 77 HA SER 77 0.130 -13.250 5.723 625 1HB SER 77 HB2 SER 77 -1.371 -14.497 4.454 626 2HB SER 77 HB1 SER 77 -2.127 -13.071 3.751 627 HG SER 77 HG SER 77 0.599 -13.643 3.319 628 H ARG 78 HN ARG 78 1.717 -12.735 4.097 629 HA ARG 78 HA ARG 78 2.012 -9.837 3.784 630 1HB ARG 78 HB2 ARG 78 3.879 -11.308 4.659 631 2HB ARG 78 HB1 ARG 78 3.992 -12.002 3.041 632 1HG ARG 78 HG2 ARG 78 4.271 -9.641 2.159 633 2HG ARG 78 HG1 ARG 78 4.420 -9.111 3.833 634 1HD ARG 78 HD2 ARG 78 6.208 -11.098 2.409 635 2HD ARG 78 HD1 ARG 78 6.644 -9.465 2.899 636 HE ARG 78 HE ARG 78 5.904 -10.618 5.245 637 1HH1 ARG 78 HH21 ARG 78 7.536 -12.218 2.706 638 2HH1 ARG 78 HH22 ARG 78 8.822 -12.822 3.697 639 1HH2 ARG 78 HH11 ARG 78 7.797 -11.107 6.533 640 2HH2 ARG 78 HH12 ARG 78 8.972 -12.189 5.863 641 H GLN 79 HN GLN 79 2.157 -8.798 1.827 642 HA GLN 79 HA GLN 79 1.981 -10.385 -0.637 643 1HB GLN 79 HB2 GLN 79 0.040 -8.173 0.087 644 2HB GLN 79 HB1 GLN 79 0.130 -8.985 -1.476 645 1HG GLN 79 HG2 GLN 79 -0.317 -11.156 -0.332 646 2HG GLN 79 HG1 GLN 79 -0.519 -10.284 1.185 647 1HE2 GLN 79 HE21 GLN 79 -2.518 -9.195 1.543 648 2HE2 GLN 79 HE22 GLN 79 -3.796 -9.216 0.426 649 H VAL 80 HN VAL 80 2.719 -9.270 -2.496 650 HA VAL 80 HA VAL 80 4.097 -6.722 -1.893 651 HB VAL 80 HB VAL 80 5.010 -8.876 -3.810 652 1HG1 VAL 80 HG11 VAL 80 6.479 -7.342 -4.556 653 2HG1 VAL 80 HG12 VAL 80 7.013 -7.002 -2.909 654 3HG1 VAL 80 HG13 VAL 80 5.644 -6.125 -3.591 655 1HG2 VAL 80 HG21 VAL 80 5.218 -8.699 -0.951 656 2HG2 VAL 80 HG22 VAL 80 6.818 -8.440 -1.644 657 3HG2 VAL 80 HG23 VAL 80 5.920 -9.908 -2.026 658 H LEU 81 HN LEU 81 3.494 -5.049 -3.076 659 HA LEU 81 HA LEU 81 2.117 -5.534 -5.652 660 1HB LEU 81 HB2 LEU 81 1.865 -3.046 -3.978 661 2HB LEU 81 HB1 LEU 81 0.794 -3.613 -5.254 662 HG LEU 81 HG LEU 81 1.214 -5.033 -2.607 663 1HD1 LEU 81 HD11 LEU 81 -1.442 -4.007 -3.011 664 2HD1 LEU 81 HD12 LEU 81 -0.285 -2.692 -3.203 665 3HD1 LEU 81 HD13 LEU 81 -0.305 -3.635 -1.715 666 1HD2 LEU 81 HD21 LEU 81 -0.707 -6.366 -3.291 667 2HD2 LEU 81 HD22 LEU 81 0.517 -6.455 -4.553 668 3HD2 LEU 81 HD23 LEU 81 -0.888 -5.409 -4.760 669 H SER 82 HN SER 82 3.127 -4.723 -7.438 670 HA SER 82 HA SER 82 4.800 -2.368 -7.210 671 1HB SER 82 HB2 SER 82 6.431 -4.023 -6.570 672 2HB SER 82 HB1 SER 82 6.001 -5.043 -7.939 673 HG SER 82 HG SER 82 7.576 -2.791 -7.807 674 H GLY 83 HN GLY 83 5.881 -1.894 -9.350 675 1HA GLY 83 HA2 GLY 83 5.836 -1.834 -11.697 676 2HA GLY 83 HA1 GLY 83 4.450 -2.919 -11.681 677 H ILE 84 HN ILE 84 5.055 0.217 -10.130 678 HA ILE 84 HA ILE 84 3.687 2.057 -9.904 679 HB ILE 84 HB ILE 84 3.297 3.208 -11.968 680 1HG1 ILE 84 HG12 ILE 84 3.811 0.592 -13.414 681 2HG1 ILE 84 HG11 ILE 84 2.193 1.226 -13.109 682 1HG2 ILE 84 HG21 ILE 84 5.516 2.762 -13.136 683 2HG2 ILE 84 HG22 ILE 84 5.746 1.436 -11.996 684 3HG2 ILE 84 HG23 ILE 84 5.619 3.092 -11.406 685 1HD1 ILE 84 HD11 ILE 84 2.629 2.085 -15.230 686 2HD1 ILE 84 HD12 ILE 84 4.347 2.308 -14.897 687 3HD1 ILE 84 HD13 ILE 84 3.163 3.414 -14.200 688 H ASP 85 HN ASP 85 2.332 -0.813 -10.373 689 HA ASP 85 HA ASP 85 -0.389 0.151 -10.919 690 1HB ASP 85 HB2 ASP 85 -0.998 -2.195 -11.073 691 2HB ASP 85 HB1 ASP 85 0.429 -1.908 -12.064 692 H LEU 86 HN LEU 86 1.478 0.297 -8.402 693 HA LEU 86 HA LEU 86 0.540 -1.085 -6.250 694 1HB LEU 86 HB2 LEU 86 1.197 1.867 -6.301 695 2HB LEU 86 HB1 LEU 86 1.241 0.809 -4.892 696 HG LEU 86 HG LEU 86 2.940 0.499 -7.382 697 1HD1 LEU 86 HD11 LEU 86 4.318 0.817 -4.842 698 2HD1 LEU 86 HD12 LEU 86 3.266 2.195 -5.167 699 3HD1 LEU 86 HD13 LEU 86 4.508 1.739 -6.333 700 1HD2 LEU 86 HD21 LEU 86 2.386 -1.205 -5.004 701 2HD2 LEU 86 HD22 LEU 86 4.056 -1.126 -5.556 702 3HD2 LEU 86 HD23 LEU 86 2.791 -1.681 -6.651 703 H THR 87 HN THR 87 -0.845 1.981 -7.475 704 HA THR 87 HA THR 87 -2.922 2.052 -5.553 705 HB THR 87 HB THR 87 -3.929 3.779 -6.994 706 HG1 THR 87 HG1 THR 87 -3.482 2.844 -8.993 707 1HG2 THR 87 HG21 THR 87 -1.835 5.246 -7.179 708 2HG2 THR 87 HG22 THR 87 -0.937 3.852 -6.579 709 3HG2 THR 87 HG23 THR 87 -2.193 4.587 -5.582 710 H ASP 88 HN ASP 88 -2.735 0.659 -8.795 711 HA ASP 88 HA ASP 88 -5.527 0.061 -8.963 712 1HB ASP 88 HB2 ASP 88 -3.125 -1.100 -10.397 713 2HB ASP 88 HB1 ASP 88 -4.797 -1.465 -10.801 714 H GLN 89 HN GLN 89 -2.628 -1.840 -8.193 715 HA GLN 89 HA GLN 89 -4.044 -4.222 -7.520 716 1HB GLN 89 HB2 GLN 89 -1.482 -3.736 -8.088 717 2HB GLN 89 HB1 GLN 89 -1.373 -3.648 -6.329 718 1HG GLN 89 HG2 GLN 89 -2.481 -5.866 -6.170 719 2HG GLN 89 HG1 GLN 89 -2.511 -5.958 -7.930 720 1HE2 GLN 89 HE21 GLN 89 0.272 -4.348 -7.481 721 2HE2 GLN 89 HE22 GLN 89 1.362 -5.637 -7.314 722 H LEU 90 HN LEU 90 -2.618 -1.580 -5.578 723 HA LEU 90 HA LEU 90 -3.189 -2.602 -3.040 724 1HB LEU 90 HB2 LEU 90 -1.771 -0.640 -3.382 725 2HB LEU 90 HB1 LEU 90 -3.162 0.284 -3.952 726 HG LEU 90 HG LEU 90 -4.269 -0.144 -1.733 727 1HD1 LEU 90 HD11 LEU 90 -1.647 -1.533 -1.307 728 2HD1 LEU 90 HD12 LEU 90 -3.264 -2.012 -0.788 729 3HD1 LEU 90 HD13 LEU 90 -2.410 -0.724 0.063 730 1HD2 LEU 90 HD21 LEU 90 -2.809 1.901 -2.355 731 2HD2 LEU 90 HD22 LEU 90 -1.576 1.162 -1.332 732 3HD2 LEU 90 HD23 LEU 90 -3.132 1.626 -0.644 733 H ALA 91 HN ALA 91 -5.166 -0.472 -5.100 734 HA ALA 91 HA ALA 91 -7.339 -0.183 -3.353 735 1HB ALA 91 HB1 ALA 91 -7.052 1.181 -5.379 736 2HB ALA 91 HB2 ALA 91 -8.635 0.401 -5.365 737 3HB ALA 91 HB3 ALA 91 -7.344 -0.240 -6.382 738 H ASN 92 HN ASN 92 -6.529 -2.708 -5.663 739 HA ASN 92 HA ASN 92 -9.029 -4.113 -5.350 740 1HB ASN 92 HB2 ASN 92 -6.404 -4.789 -6.676 741 2HB ASN 92 HB1 ASN 92 -7.792 -5.869 -6.669 742 1HD2 ASN 92 HD21 ASN 92 -6.700 -4.711 -9.097 743 2HD2 ASN 92 HD22 ASN 92 -7.879 -3.676 -9.745 744 H GLN 93 HN GLN 93 -5.738 -4.381 -4.127 745 HA GLN 93 HA GLN 93 -6.180 -6.884 -2.810 746 1HB GLN 93 HB2 GLN 93 -3.964 -4.845 -2.616 747 2HB GLN 93 HB1 GLN 93 -3.952 -6.400 -1.788 748 1HG GLN 93 HG2 GLN 93 -4.329 -6.135 -4.774 749 2HG GLN 93 HG1 GLN 93 -2.752 -6.362 -4.026 750 1HE2 GLN 93 HE21 GLN 93 -4.463 -8.209 -5.785 751 2HE2 GLN 93 HE22 GLN 93 -4.547 -9.650 -4.897 752 H LEU 94 HN LEU 94 -6.275 -3.496 -1.849 753 HA LEU 94 HA LEU 94 -6.186 -3.774 0.903 754 1HB LEU 94 HB2 LEU 94 -6.148 -1.585 0.091 755 2HB LEU 94 HB1 LEU 94 -7.593 -1.809 -0.881 756 HG LEU 94 HG LEU 94 -8.980 -1.951 1.116 757 1HD1 LEU 94 HD11 LEU 94 -6.304 -2.143 2.424 758 2HD1 LEU 94 HD12 LEU 94 -7.804 -2.987 2.808 759 3HD1 LEU 94 HD13 LEU 94 -7.583 -1.311 3.309 760 1HD2 LEU 94 HD21 LEU 94 -8.918 0.300 0.700 761 2HD2 LEU 94 HD22 LEU 94 -7.155 0.347 0.673 762 3HD2 LEU 94 HD23 LEU 94 -8.014 0.340 2.213 763 HA PRO 95 HA PRO 95 -11.092 -4.268 0.938 764 1HB PRO 95 HB2 PRO 95 -11.681 -5.726 -1.469 765 2HB PRO 95 HB1 PRO 95 -12.304 -4.144 -0.976 766 1HG PRO 95 HG2 PRO 95 -10.197 -4.800 -2.882 767 2HG PRO 95 HG1 PRO 95 -11.116 -3.302 -2.684 768 1HD PRO 95 HD2 PRO 95 -8.463 -3.550 -2.022 769 2HD PRO 95 HD1 PRO 95 -9.571 -2.386 -1.264 770 H GLN 96 HN GLN 96 -9.117 -6.533 -0.965 771 HA GLN 96 HA GLN 96 -10.212 -8.930 0.032 772 1HB GLN 96 HB2 GLN 96 -7.433 -8.374 -1.027 773 2HB GLN 96 HB1 GLN 96 -8.136 -9.977 -0.803 774 1HG GLN 96 HG2 GLN 96 -9.269 -7.803 -2.584 775 2HG GLN 96 HG1 GLN 96 -8.364 -9.209 -3.145 776 1HE2 GLN 96 HE21 GLN 96 -11.438 -8.184 -3.093 777 2HE2 GLN 96 HE22 GLN 96 -12.258 -9.642 -2.802 778 H TRP 97 HN TRP 97 -7.648 -6.837 1.224 779 HA TRP 97 HA TRP 97 -6.579 -8.594 3.168 780 1HB TRP 97 HB2 TRP 97 -6.720 -5.568 3.202 781 2HB TRP 97 HB1 TRP 97 -5.665 -6.560 4.207 782 HD1 TRP 97 HD1 TRP 97 -5.520 -8.479 1.276 783 HE1 TRP 97 HE1 TRP 97 -3.602 -7.794 -0.305 784 HE3 TRP 97 HE3 TRP 97 -4.451 -3.846 3.138 785 HZ2 TRP 97 HZ2 TRP 97 -1.855 -5.575 -0.731 786 HZ3 TRP 97 HZ3 TRP 97 -2.659 -2.467 2.124 787 HH2 TRP 97 HH2 TRP 97 -1.361 -3.326 0.194 788 H LEU 98 HN LEU 98 -9.208 -6.222 3.283 789 HA LEU 98 HA LEU 98 -9.764 -6.516 6.058 790 1HB LEU 98 HB2 LEU 98 -11.641 -5.655 3.842 791 2HB LEU 98 HB1 LEU 98 -11.805 -5.314 5.562 792 HG LEU 98 HG LEU 98 -9.652 -4.300 3.696 793 1HD1 LEU 98 HD11 LEU 98 -10.853 -2.271 5.274 794 2HD1 LEU 98 HD12 LEU 98 -12.167 -3.267 4.648 795 3HD1 LEU 98 HD13 LEU 98 -11.019 -2.520 3.537 796 1HD2 LEU 98 HD21 LEU 98 -8.940 -3.074 5.872 797 2HD2 LEU 98 HD22 LEU 98 -8.472 -4.764 5.687 798 3HD2 LEU 98 HD23 LEU 98 -9.846 -4.336 6.707 799 H VAL 99 HN VAL 99 -10.730 -8.185 3.155 800 HA VAL 99 HA VAL 99 -12.902 -9.654 4.294 801 HB VAL 99 HB VAL 99 -11.245 -10.182 1.819 802 1HG1 VAL 99 HG11 VAL 99 -13.618 -11.512 3.052 803 2HG1 VAL 99 HG12 VAL 99 -12.304 -12.211 2.105 804 3HG1 VAL 99 HG13 VAL 99 -13.602 -11.332 1.297 805 1HG2 VAL 99 HG21 VAL 99 -12.856 -8.037 2.308 806 2HG2 VAL 99 HG22 VAL 99 -14.033 -9.184 1.669 807 3HG2 VAL 99 HG23 VAL 99 -12.624 -8.737 0.705 808 H GLN 100 HN GLN 100 -9.745 -9.791 5.093 809 HA GLN 100 HA GLN 100 -9.390 -12.662 5.087 810 1HB GLN 100 HB2 GLN 100 -7.758 -10.471 6.386 811 2HB GLN 100 HB1 GLN 100 -7.293 -12.172 6.306 812 1HG GLN 100 HG2 GLN 100 -7.345 -12.077 3.845 813 2HG GLN 100 HG1 GLN 100 -7.813 -10.379 3.917 814 1HE2 GLN 100 HE21 GLN 100 -5.504 -10.774 2.551 815 2HE2 GLN 100 HE22 GLN 100 -4.146 -10.363 3.482 816 H GLN 101 HN GLN 101 -11.617 -11.290 6.607 817 HA GLN 101 HA GLN 101 -10.986 -11.997 9.368 818 1HB GLN 101 HB2 GLN 101 -13.500 -10.858 8.128 819 2HB GLN 101 HB1 GLN 101 -13.258 -11.133 9.855 820 1HG GLN 101 HG2 GLN 101 -11.585 -9.327 8.087 821 2HG GLN 101 HG1 GLN 101 -12.753 -8.797 9.296 822 1HE2 GLN 101 HE21 GLN 101 -9.466 -9.436 8.826 823 2HE2 GLN 101 HE22 GLN 101 -9.011 -9.611 10.452 824 H GLU 102 HN GLU 102 -12.006 -13.638 6.670 825 HA GLU 102 HA GLU 102 -13.743 -15.481 8.168 826 1HB GLU 102 HB2 GLU 102 -13.174 -15.207 5.211 827 2HB GLU 102 HB1 GLU 102 -14.158 -16.496 5.907 828 1HG GLU 102 HG2 GLU 102 -15.780 -14.907 5.368 829 2HG GLU 102 HG1 GLU 102 -15.449 -14.523 7.056 830 H GLY 103 HN GLY 103 -13.411 -17.861 7.510 831 1HA GLY 103 HA2 GLY 103 -11.023 -18.812 8.548 832 2HA GLY 103 HA1 GLY 103 -12.097 -19.752 7.517 833 H ILE 104 HN ILE 104 -10.466 -20.796 6.387 834 HA ILE 104 HA ILE 104 -8.575 -19.126 4.868 835 HB ILE 104 HB ILE 104 -8.608 -22.124 5.286 836 1HG1 ILE 104 HG12 ILE 104 -6.856 -19.989 6.549 837 2HG1 ILE 104 HG11 ILE 104 -8.201 -20.788 7.364 838 1HG2 ILE 104 HG21 ILE 104 -6.043 -21.158 4.618 839 2HG2 ILE 104 HG22 ILE 104 -7.153 -20.375 3.494 840 3HG2 ILE 104 HG23 ILE 104 -7.108 -22.134 3.607 841 1HD1 ILE 104 HD11 ILE 104 -5.802 -21.743 7.714 842 2HD1 ILE 104 HD12 ILE 104 -6.004 -22.410 6.094 843 3HD1 ILE 104 HD13 ILE 104 -7.114 -22.874 7.383 844 H PHE 105 HN PHE 105 -8.623 -18.999 2.690 845 HA PHE 105 HA PHE 105 -10.807 -20.429 1.309 846 1HB PHE 105 HB2 PHE 105 -9.701 -17.716 1.131 847 2HB PHE 105 HB1 PHE 105 -9.937 -18.494 -0.435 848 HD1 PHE 105 HD1 PHE 105 -12.229 -19.697 -0.800 849 HD2 PHE 105 HD2 PHE 105 -11.524 -16.730 2.226 850 HE1 PHE 105 HE1 PHE 105 -14.669 -19.278 -0.644 851 HE2 PHE 105 HE2 PHE 105 -13.964 -16.312 2.383 852 HZ PHE 105 HZ PHE 105 -15.535 -17.584 0.948 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 -15.434 10.156 31.155 2 2H GLY 1 HT2 GLY 1 -14.964 9.396 32.599 3 3H GLY 1 HT3 GLY 1 -16.526 9.155 31.978 4 1HA GLY 1 HA2 GLY 1 -15.848 7.420 30.814 5 2HA GLY 1 HA1 GLY 1 -14.682 8.455 29.988 6 H SER 2 HN SER 2 -14.678 5.635 31.350 7 HA SER 2 HA SER 2 -12.576 5.926 33.330 8 1HB SER 2 HB2 SER 2 -14.022 3.574 32.128 9 2HB SER 2 HB1 SER 2 -12.600 3.352 33.142 10 HG SER 2 HG SER 2 -15.152 4.275 33.781 11 H SER 3 HN SER 3 -12.647 6.123 30.065 12 HA SER 3 HA SER 3 -9.865 6.047 29.717 13 1HB SER 3 HB2 SER 3 -10.348 3.554 30.010 14 2HB SER 3 HB1 SER 3 -11.194 3.638 28.467 15 HG SER 3 HG SER 3 -9.198 3.241 27.805 16 H LEU 4 HN LEU 4 -10.056 7.833 28.470 17 HA LEU 4 HA LEU 4 -12.066 8.350 26.589 18 1HB LEU 4 HB2 LEU 4 -10.551 10.060 27.546 19 2HB LEU 4 HB1 LEU 4 -9.228 9.394 26.588 20 HG LEU 4 HG LEU 4 -10.638 9.783 24.530 21 1HD1 LEU 4 HD11 LEU 4 -12.525 10.559 26.615 22 2HD1 LEU 4 HD12 LEU 4 -12.821 10.228 24.909 23 3HD1 LEU 4 HD13 LEU 4 -12.312 11.837 25.419 24 1HD2 LEU 4 HD21 LEU 4 -10.002 12.076 24.356 25 2HD2 LEU 4 HD22 LEU 4 -8.836 11.356 25.468 26 3HD2 LEU 4 HD23 LEU 4 -10.166 12.329 26.094 27 H SER 5 HN SER 5 -8.869 6.860 26.179 28 HA SER 5 HA SER 5 -9.479 6.388 23.343 29 1HB SER 5 HB2 SER 5 -6.880 5.647 24.641 30 2HB SER 5 HB1 SER 5 -7.196 6.124 22.976 31 HG SER 5 HG SER 5 -7.897 8.008 24.847 32 HA PRO 6 HA PRO 6 -10.710 2.208 23.986 33 1HB PRO 6 HB2 PRO 6 -9.228 1.206 21.738 34 2HB PRO 6 HB1 PRO 6 -10.962 1.535 21.844 35 1HG PRO 6 HG2 PRO 6 -8.889 3.065 20.544 36 2HG PRO 6 HG1 PRO 6 -10.644 3.245 20.448 37 1HD PRO 6 HD2 PRO 6 -8.894 5.012 21.731 38 2HD PRO 6 HD1 PRO 6 -10.653 4.947 21.962 39 H GLN 7 HN GLN 7 -9.918 0.446 25.049 40 HA GLN 7 HA GLN 7 -7.009 0.382 25.538 41 1HB GLN 7 HB2 GLN 7 -9.304 -0.849 27.087 42 2HB GLN 7 HB1 GLN 7 -7.599 -0.972 27.523 43 1HG GLN 7 HG2 GLN 7 -7.457 1.473 27.719 44 2HG GLN 7 HG1 GLN 7 -9.153 1.616 27.259 45 1HE2 GLN 7 HE21 GLN 7 -10.773 0.671 28.777 46 2HE2 GLN 7 HE22 GLN 7 -10.381 0.502 30.420 47 H ALA 8 HN ALA 8 -9.487 -1.187 23.852 48 HA ALA 8 HA ALA 8 -7.871 -3.656 23.635 49 1HB ALA 8 HB1 ALA 8 -10.861 -3.263 23.401 50 2HB ALA 8 HB2 ALA 8 -9.995 -4.190 24.627 51 3HB ALA 8 HB3 ALA 8 -10.029 -4.753 22.955 52 H LEU 9 HN LEU 9 -7.142 -1.518 22.068 53 HA LEU 9 HA LEU 9 -8.445 -1.716 19.485 54 1HB LEU 9 HB2 LEU 9 -6.424 -0.249 18.815 55 2HB LEU 9 HB1 LEU 9 -7.618 0.443 19.915 56 HG LEU 9 HG LEU 9 -5.475 -1.062 21.264 57 1HD1 LEU 9 HD11 LEU 9 -4.872 1.465 19.700 58 2HD1 LEU 9 HD12 LEU 9 -4.108 -0.110 19.496 59 3HD1 LEU 9 HD13 LEU 9 -3.834 0.819 20.970 60 1HD2 LEU 9 HD21 LEU 9 -6.726 1.688 21.550 61 2HD2 LEU 9 HD22 LEU 9 -5.510 1.041 22.652 62 3HD2 LEU 9 HD23 LEU 9 -7.083 0.256 22.515 63 H ALA 10 HN ALA 10 -7.814 -2.918 17.795 64 HA ALA 10 HA ALA 10 -6.050 -5.101 18.178 65 1HB ALA 10 HB1 ALA 10 -6.592 -5.729 15.982 66 2HB ALA 10 HB2 ALA 10 -6.853 -4.061 15.474 67 3HB ALA 10 HB3 ALA 10 -8.025 -4.855 16.526 68 H GLN 11 HN GLN 11 -4.414 -5.430 16.138 69 HA GLN 11 HA GLN 11 -2.349 -3.447 16.618 70 1HB GLN 11 HB2 GLN 11 -2.359 -6.025 15.038 71 2HB GLN 11 HB1 GLN 11 -0.940 -5.000 15.255 72 1HG GLN 11 HG2 GLN 11 -2.541 -6.297 17.480 73 2HG GLN 11 HG1 GLN 11 -0.957 -6.820 16.913 74 1HE2 GLN 11 HE21 GLN 11 0.789 -4.985 17.015 75 2HE2 GLN 11 HE22 GLN 11 0.732 -3.974 18.378 76 HA PRO 12 HA PRO 12 -3.500 -1.114 12.985 77 1HB PRO 12 HB2 PRO 12 -0.853 -0.015 12.772 78 2HB PRO 12 HB1 PRO 12 -2.321 0.774 13.362 79 1HG PRO 12 HG2 PRO 12 -0.077 -0.176 14.854 80 2HG PRO 12 HG1 PRO 12 -1.503 0.690 15.432 81 1HD PRO 12 HD2 PRO 12 -0.855 -2.041 15.882 82 2HD PRO 12 HD1 PRO 12 -2.359 -1.209 16.324 83 H LEU 13 HN LEU 13 -2.965 -1.071 10.714 84 HA LEU 13 HA LEU 13 -1.722 -3.511 9.812 85 1HB LEU 13 HB2 LEU 13 -3.779 -2.353 8.795 86 2HB LEU 13 HB1 LEU 13 -2.632 -1.230 8.071 87 HG LEU 13 HG LEU 13 -2.457 -4.235 7.747 88 1HD1 LEU 13 HD11 LEU 13 -4.097 -4.081 6.215 89 2HD1 LEU 13 HD12 LEU 13 -3.127 -2.912 5.317 90 3HD1 LEU 13 HD13 LEU 13 -4.265 -2.356 6.547 91 1HD2 LEU 13 HD21 LEU 13 -0.368 -3.568 7.109 92 2HD2 LEU 13 HD22 LEU 13 -0.865 -1.892 6.885 93 3HD2 LEU 13 HD23 LEU 13 -1.186 -3.082 5.628 94 H LEU 14 HN LEU 14 0.315 -3.761 9.083 95 HA LEU 14 HA LEU 14 2.002 -1.371 8.998 96 1HB LEU 14 HB2 LEU 14 2.727 -4.310 8.961 97 2HB LEU 14 HB1 LEU 14 3.856 -2.968 9.098 98 HG LEU 14 HG LEU 14 1.723 -3.800 11.070 99 1HD1 LEU 14 HD11 LEU 14 4.115 -4.842 10.950 100 2HD1 LEU 14 HD12 LEU 14 3.493 -4.318 12.514 101 3HD1 LEU 14 HD13 LEU 14 4.636 -3.304 11.636 102 1HD2 LEU 14 HD21 LEU 14 1.554 -1.454 11.130 103 2HD2 LEU 14 HD22 LEU 14 3.271 -1.230 10.784 104 3HD2 LEU 14 HD23 LEU 14 2.758 -1.791 12.377 105 H LEU 15 HN LEU 15 2.216 -0.432 7.131 106 HA LEU 15 HA LEU 15 2.279 -2.071 4.675 107 1HB LEU 15 HB2 LEU 15 0.208 -0.581 5.182 108 2HB LEU 15 HB1 LEU 15 1.276 0.770 4.812 109 HG LEU 15 HG LEU 15 -0.020 0.044 2.833 110 1HD1 LEU 15 HD11 LEU 15 1.749 0.373 1.405 111 2HD1 LEU 15 HD12 LEU 15 2.767 -0.810 2.228 112 3HD1 LEU 15 HD13 LEU 15 2.541 0.794 2.924 113 1HD2 LEU 15 HD21 LEU 15 1.576 -2.441 2.549 114 2HD2 LEU 15 HD22 LEU 15 -0.109 -2.129 2.121 115 3HD2 LEU 15 HD23 LEU 15 0.325 -2.483 3.792 116 H GLN 16 HN GLN 16 4.041 -1.768 3.377 117 HA GLN 16 HA GLN 16 5.695 0.631 3.889 118 1HB GLN 16 HB2 GLN 16 6.574 -2.240 3.697 119 2HB GLN 16 HB1 GLN 16 7.684 -0.911 3.359 120 1HG GLN 16 HG2 GLN 16 7.304 0.032 5.565 121 2HG GLN 16 HG1 GLN 16 6.076 -1.188 5.912 122 1HE2 GLN 16 HE21 GLN 16 8.271 -0.998 7.643 123 2HE2 GLN 16 HE22 GLN 16 9.284 -2.343 7.428 124 H LEU 17 HN LEU 17 7.013 1.329 2.152 125 HA LEU 17 HA LEU 17 6.331 0.256 -0.495 126 1HB LEU 17 HB2 LEU 17 4.817 2.138 -0.091 127 2HB LEU 17 HB1 LEU 17 6.188 3.171 0.286 128 HG LEU 17 HG LEU 17 7.068 2.536 -2.064 129 1HD1 LEU 17 HD11 LEU 17 5.802 1.189 -3.347 130 2HD1 LEU 17 HD12 LEU 17 4.403 2.239 -3.126 131 3HD1 LEU 17 HD13 LEU 17 4.728 0.950 -1.969 132 1HD2 LEU 17 HD21 LEU 17 4.613 4.252 -1.602 133 2HD2 LEU 17 HD22 LEU 17 5.517 4.255 -3.116 134 3HD2 LEU 17 HD23 LEU 17 6.298 4.772 -1.622 135 H PHE 18 HN PHE 18 8.025 0.076 -1.815 136 HA PHE 18 HA PHE 18 10.611 1.118 -0.894 137 1HB PHE 18 HB2 PHE 18 9.831 -0.943 -2.963 138 2HB PHE 18 HB1 PHE 18 11.484 -0.365 -2.764 139 HD1 PHE 18 HD1 PHE 18 8.701 -2.179 -1.131 140 HD2 PHE 18 HD2 PHE 18 12.820 -0.992 -0.867 141 HE1 PHE 18 HE1 PHE 18 9.039 -3.766 0.744 142 HE2 PHE 18 HE2 PHE 18 13.160 -2.575 1.007 143 HZ PHE 18 HZ PHE 18 11.267 -3.965 1.814 144 H VAL 19 HN VAL 19 11.518 2.851 -1.811 145 HA VAL 19 HA VAL 19 10.631 3.595 -4.528 146 HB VAL 19 HB VAL 19 10.560 5.938 -3.878 147 1HG1 VAL 19 HG11 VAL 19 9.007 4.234 -1.908 148 2HG1 VAL 19 HG12 VAL 19 8.539 4.485 -3.589 149 3HG1 VAL 19 HG13 VAL 19 8.574 5.848 -2.470 150 1HG2 VAL 19 HG21 VAL 19 12.271 5.945 -2.146 151 2HG2 VAL 19 HG22 VAL 19 11.310 4.859 -1.142 152 3HG2 VAL 19 HG23 VAL 19 10.757 6.508 -1.441 153 H ASP 20 HN ASP 20 12.049 4.890 -5.729 154 HA ASP 20 HA ASP 20 14.892 4.554 -5.003 155 1HB ASP 20 HB2 ASP 20 15.360 4.655 -7.388 156 2HB ASP 20 HB1 ASP 20 14.136 3.423 -7.090 157 H THR 21 HN THR 21 12.755 6.745 -4.462 158 HA THR 21 HA THR 21 12.916 9.000 -4.003 159 HB THR 21 HB THR 21 14.964 10.128 -4.152 160 HG1 THR 21 HG1 THR 21 15.309 8.477 -6.375 161 1HG2 THR 21 HG21 THR 21 16.266 8.730 -2.920 162 2HG2 THR 21 HG22 THR 21 16.250 7.470 -4.156 163 3HG2 THR 21 HG23 THR 21 14.887 7.637 -3.048 164 H ARG 22 HN ARG 22 12.481 7.568 -6.868 165 HA ARG 22 HA ARG 22 12.651 9.786 -8.687 166 1HB ARG 22 HB2 ARG 22 11.768 8.328 -10.300 167 2HB ARG 22 HB1 ARG 22 12.660 7.251 -9.224 168 1HG ARG 22 HG2 ARG 22 10.480 6.931 -7.944 169 2HG ARG 22 HG1 ARG 22 9.681 7.747 -9.288 170 1HD ARG 22 HD2 ARG 22 11.381 5.251 -9.515 171 2HD ARG 22 HD1 ARG 22 9.621 5.289 -9.557 172 HE ARG 22 HE ARG 22 10.578 7.041 -11.538 173 1HH1 ARG 22 HH11 ARG 22 9.421 3.924 -11.004 174 2HH1 ARG 22 HH12 ARG 22 9.949 3.269 -12.518 175 1HH2 ARG 22 HH21 ARG 22 11.755 6.093 -13.407 176 2HH2 ARG 22 HH22 ARG 22 11.267 4.500 -13.882 177 HA PRO 23 HA PRO 23 8.978 12.021 -7.766 178 1HB PRO 23 HB2 PRO 23 8.101 12.228 -10.490 179 2HB PRO 23 HB1 PRO 23 8.926 13.450 -9.512 180 1HG PRO 23 HG2 PRO 23 9.972 11.762 -11.606 181 2HG PRO 23 HG1 PRO 23 10.707 13.170 -10.828 182 1HD PRO 23 HD2 PRO 23 11.543 10.525 -10.491 183 2HD PRO 23 HD1 PRO 23 11.943 11.873 -9.408 184 H LEU 24 HN LEU 24 8.704 9.364 -10.117 185 HA LEU 24 HA LEU 24 5.922 9.065 -10.113 186 1HB LEU 24 HB2 LEU 24 7.458 7.838 -11.634 187 2HB LEU 24 HB1 LEU 24 7.970 6.840 -10.274 188 HG LEU 24 HG LEU 24 5.409 6.408 -9.960 189 1HD1 LEU 24 HD11 LEU 24 5.290 6.723 -12.923 190 2HD1 LEU 24 HD12 LEU 24 5.123 8.184 -11.950 191 3HD1 LEU 24 HD13 LEU 24 3.999 6.843 -11.728 192 1HD2 LEU 24 HD21 LEU 24 5.567 4.483 -11.498 193 2HD2 LEU 24 HD22 LEU 24 7.071 4.703 -10.604 194 3HD2 LEU 24 HD23 LEU 24 6.959 5.226 -12.284 195 H SER 25 HN SER 25 8.379 7.769 -7.907 196 HA SER 25 HA SER 25 6.656 6.183 -6.325 197 1HB SER 25 HB2 SER 25 9.236 7.603 -5.622 198 2HB SER 25 HB1 SER 25 8.428 6.448 -4.571 199 HG SER 25 HG SER 25 9.279 5.933 -7.233 200 H GLN 26 HN GLN 26 7.766 9.535 -6.060 201 HA GLN 26 HA GLN 26 6.345 10.189 -3.693 202 1HB GLN 26 HB2 GLN 26 7.293 11.914 -6.003 203 2HB GLN 26 HB1 GLN 26 6.666 12.546 -4.478 204 1HG GLN 26 HG2 GLN 26 8.450 11.459 -3.238 205 2HG GLN 26 HG1 GLN 26 9.037 10.669 -4.699 206 1HE2 GLN 26 HE21 GLN 26 11.091 11.943 -3.913 207 2HE2 GLN 26 HE22 GLN 26 11.264 13.519 -4.518 208 H HIS 27 HN HIS 27 5.614 10.120 -7.084 209 HA HIS 27 HA HIS 27 3.124 11.470 -7.088 210 1HB HIS 27 HB2 HIS 27 4.801 10.524 -8.967 211 2HB HIS 27 HB1 HIS 27 3.641 9.202 -8.949 212 HD1 HIS 27 HD1 HIS 27 1.180 11.250 -8.283 213 HD2 HIS 27 HD2 HIS 27 3.895 11.457 -11.442 214 HE1 HIS 27 HE1 HIS 27 0.069 12.644 -10.085 215 H ILE 28 HN ILE 28 3.950 8.017 -7.159 216 HA ILE 28 HA ILE 28 1.311 7.074 -6.698 217 HB ILE 28 HB ILE 28 4.009 5.742 -6.353 218 1HG1 ILE 28 HG12 ILE 28 1.913 5.580 -8.543 219 2HG1 ILE 28 HG11 ILE 28 3.429 6.475 -8.652 220 1HG2 ILE 28 HG21 ILE 28 1.525 4.873 -5.347 221 2HG2 ILE 28 HG22 ILE 28 2.968 3.891 -5.577 222 3HG2 ILE 28 HG23 ILE 28 1.749 3.977 -6.847 223 1HD1 ILE 28 HD11 ILE 28 3.626 3.611 -7.859 224 2HD1 ILE 28 HD12 ILE 28 4.694 4.574 -8.879 225 3HD1 ILE 28 HD13 ILE 28 3.185 3.942 -9.534 226 H VAL 29 HN VAL 29 4.010 7.900 -4.572 227 HA VAL 29 HA VAL 29 3.094 6.721 -2.205 228 HB VAL 29 HB VAL 29 4.659 9.264 -2.665 229 1HG1 VAL 29 HG11 VAL 29 3.905 7.842 -0.103 230 2HG1 VAL 29 HG12 VAL 29 3.619 9.532 -0.521 231 3HG1 VAL 29 HG13 VAL 29 5.261 8.964 -0.210 232 1HG2 VAL 29 HG21 VAL 29 5.923 7.002 -1.310 233 2HG2 VAL 29 HG22 VAL 29 6.474 7.909 -2.718 234 3HG2 VAL 29 HG23 VAL 29 5.340 6.573 -2.917 235 H GLN 30 HN GLN 30 2.391 9.922 -3.583 236 HA GLN 30 HA GLN 30 0.707 10.820 -1.507 237 1HB GLN 30 HB2 GLN 30 0.635 11.455 -4.470 238 2HB GLN 30 HB1 GLN 30 -0.286 12.317 -3.238 239 1HG GLN 30 HG2 GLN 30 2.719 12.022 -3.143 240 2HG GLN 30 HG1 GLN 30 1.906 13.399 -3.887 241 1HE2 GLN 30 HE21 GLN 30 -0.111 12.493 -1.420 242 2HE2 GLN 30 HE22 GLN 30 0.493 13.488 -0.184 243 H ARG 31 HN ARG 31 0.092 8.942 -4.446 244 HA ARG 31 HA ARG 31 -2.718 8.776 -4.154 245 1HB ARG 31 HB2 ARG 31 -0.736 6.932 -5.503 246 2HB ARG 31 HB1 ARG 31 -2.489 6.747 -5.615 247 1HG ARG 31 HG2 ARG 31 -2.617 9.116 -6.447 248 2HG ARG 31 HG1 ARG 31 -0.856 9.138 -6.503 249 1HD ARG 31 HD2 ARG 31 -2.598 7.155 -7.979 250 2HD ARG 31 HD1 ARG 31 -1.899 8.598 -8.703 251 HE ARG 31 HE ARG 31 -0.192 6.493 -7.508 252 1HH1 ARG 31 HH11 ARG 31 0.598 9.202 -8.945 253 2HH1 ARG 31 HH12 ARG 31 1.205 8.567 -10.438 254 1HH2 ARG 31 HH21 ARG 31 -0.131 5.405 -9.944 255 2HH2 ARG 31 HH22 ARG 31 0.796 6.416 -11.001 256 H VAL 32 HN VAL 32 -0.042 6.842 -2.893 257 HA VAL 32 HA VAL 32 -1.641 4.810 -1.713 258 HB VAL 32 HB VAL 32 1.130 5.832 -1.031 259 1HG1 VAL 32 HG11 VAL 32 0.016 4.708 0.899 260 2HG1 VAL 32 HG12 VAL 32 1.389 3.789 0.282 261 3HG1 VAL 32 HG13 VAL 32 -0.257 3.293 -0.116 262 1HG2 VAL 32 HG21 VAL 32 -0.007 3.956 -2.995 263 2HG2 VAL 32 HG22 VAL 32 1.309 3.268 -2.042 264 3HG2 VAL 32 HG23 VAL 32 1.573 4.741 -2.975 265 H LYS 33 HN LYS 33 -0.130 7.756 -0.372 266 HA LYS 33 HA LYS 33 -1.205 7.575 2.217 267 1HB LYS 33 HB2 LYS 33 -0.381 9.958 0.556 268 2HB LYS 33 HB1 LYS 33 -0.813 10.054 2.260 269 1HG LYS 33 HG2 LYS 33 0.961 8.376 2.762 270 2HG LYS 33 HG1 LYS 33 1.445 8.430 1.066 271 1HD LYS 33 HD2 LYS 33 1.783 10.901 1.301 272 2HD LYS 33 HD1 LYS 33 1.453 10.736 3.026 273 1HE LYS 33 HE2 LYS 33 3.391 9.401 3.374 274 2HE LYS 33 HE1 LYS 33 3.596 9.116 1.652 275 1HZ LYS 33 HZ1 LYS 33 3.736 11.824 2.834 276 2HZ LYS 33 HZ2 LYS 33 4.260 11.321 1.297 277 3HZ LYS 33 HZ3 LYS 33 5.102 10.827 2.688 278 H ASN 34 HN ASN 34 -2.379 9.185 -0.712 279 HA ASN 34 HA ASN 34 -4.654 10.398 0.422 280 1HB ASN 34 HB2 ASN 34 -4.137 9.539 -2.431 281 2HB ASN 34 HB1 ASN 34 -5.381 10.667 -1.908 282 1HD2 ASN 34 HD21 ASN 34 -2.695 10.935 -3.542 283 2HD2 ASN 34 HD22 ASN 34 -1.954 12.288 -2.830 284 H ILE 35 HN ILE 35 -4.320 7.330 -1.383 285 HA ILE 35 HA ILE 35 -7.088 6.682 -1.217 286 HB ILE 35 HB ILE 35 -4.691 4.931 -1.738 287 1HG1 ILE 35 HG12 ILE 35 -6.762 6.091 -3.628 288 2HG1 ILE 35 HG11 ILE 35 -5.172 6.802 -3.363 289 1HG2 ILE 35 HG21 ILE 35 -6.238 3.304 -1.250 290 2HG2 ILE 35 HG22 ILE 35 -6.757 3.645 -2.901 291 3HG2 ILE 35 HG23 ILE 35 -7.608 4.377 -1.540 292 1HD1 ILE 35 HD11 ILE 35 -5.585 3.938 -4.255 293 2HD1 ILE 35 HD12 ILE 35 -4.067 4.834 -4.208 294 3HD1 ILE 35 HD13 ILE 35 -5.313 5.274 -5.375 295 H LEU 36 HN LEU 36 -4.266 5.552 0.677 296 HA LEU 36 HA LEU 36 -5.667 3.751 2.313 297 1HB LEU 36 HB2 LEU 36 -3.229 5.439 2.908 298 2HB LEU 36 HB1 LEU 36 -3.822 4.158 3.966 299 HG LEU 36 HG LEU 36 -2.963 3.810 1.078 300 1HD1 LEU 36 HD11 LEU 36 -1.065 2.627 1.992 301 2HD1 LEU 36 HD12 LEU 36 -1.715 2.753 3.626 302 3HD1 LEU 36 HD13 LEU 36 -1.149 4.198 2.791 303 1HD2 LEU 36 HD21 LEU 36 -4.407 2.102 3.038 304 2HD2 LEU 36 HD22 LEU 36 -3.128 1.317 2.114 305 3HD2 LEU 36 HD23 LEU 36 -4.473 2.090 1.275 306 H ALA 37 HN ALA 37 -5.183 7.216 2.536 307 HA ALA 37 HA ALA 37 -6.397 7.551 5.096 308 1HB ALA 37 HB1 ALA 37 -6.497 9.941 4.465 309 2HB ALA 37 HB2 ALA 37 -6.037 9.518 2.815 310 3HB ALA 37 HB3 ALA 37 -4.904 9.255 4.141 311 H ALA 38 HN ALA 38 -7.595 6.715 2.056 312 HA ALA 38 HA ALA 38 -10.170 8.021 2.349 313 1HB ALA 38 HB1 ALA 38 -10.713 7.094 0.229 314 2HB ALA 38 HB2 ALA 38 -9.447 5.875 0.358 315 3HB ALA 38 HB3 ALA 38 -9.018 7.571 0.131 316 H VAL 39 HN VAL 39 -8.763 5.056 3.376 317 HA VAL 39 HA VAL 39 -11.314 3.661 3.505 318 HB VAL 39 HB VAL 39 -9.087 2.532 3.019 319 1HG1 VAL 39 HG11 VAL 39 -7.464 2.404 4.614 320 2HG1 VAL 39 HG12 VAL 39 -8.630 2.259 5.928 321 3HG1 VAL 39 HG13 VAL 39 -8.246 3.846 5.262 322 1HG2 VAL 39 HG21 VAL 39 -10.741 1.513 5.355 323 2HG2 VAL 39 HG22 VAL 39 -9.721 0.528 4.304 324 3HG2 VAL 39 HG23 VAL 39 -11.158 1.317 3.651 325 H GLU 40 HN GLU 40 -9.512 5.787 5.457 326 HA GLU 40 HA GLU 40 -9.559 6.261 7.742 327 1HB GLU 40 HB2 GLU 40 -12.518 6.063 7.139 328 2HB GLU 40 HB1 GLU 40 -11.753 7.052 8.383 329 1HG GLU 40 HG2 GLU 40 -10.521 8.285 6.604 330 2HG GLU 40 HG1 GLU 40 -11.381 7.344 5.389 331 H ALA 41 HN ALA 41 -12.582 4.450 7.724 332 HA ALA 41 HA ALA 41 -13.348 2.837 9.184 333 1HB ALA 41 HB1 ALA 41 -12.592 0.932 8.292 334 2HB ALA 41 HB2 ALA 41 -11.060 1.112 9.147 335 3HB ALA 41 HB3 ALA 41 -11.267 1.825 7.547 336 H THR 42 HN THR 42 -12.600 1.318 11.078 337 HA THR 42 HA THR 42 -11.506 3.076 13.113 338 HB THR 42 HB THR 42 -12.164 1.298 14.672 339 HG1 THR 42 HG1 THR 42 -12.498 -0.082 12.248 340 1HG2 THR 42 HG21 THR 42 -14.307 1.997 14.563 341 2HG2 THR 42 HG22 THR 42 -14.546 1.251 12.982 342 3HG2 THR 42 HG23 THR 42 -13.834 2.861 13.100 343 H VAL 43 HN VAL 43 -10.213 0.904 10.929 344 HA VAL 43 HA VAL 43 -7.892 0.381 12.679 345 HB VAL 43 HB VAL 43 -7.554 -1.556 10.974 346 1HG1 VAL 43 HG11 VAL 43 -7.974 -2.387 13.074 347 2HG1 VAL 43 HG12 VAL 43 -9.534 -2.786 12.352 348 3HG1 VAL 43 HG13 VAL 43 -9.360 -1.323 13.321 349 1HG2 VAL 43 HG21 VAL 43 -9.731 -2.413 10.107 350 2HG2 VAL 43 HG22 VAL 43 -9.291 -0.858 9.402 351 3HG2 VAL 43 HG23 VAL 43 -10.506 -0.935 10.677 352 HA PRO 44 HA PRO 44 -6.499 3.067 9.221 353 1HB PRO 44 HB2 PRO 44 -4.616 4.234 11.062 354 2HB PRO 44 HB1 PRO 44 -6.027 4.986 10.306 355 1HG PRO 44 HG2 PRO 44 -5.746 4.341 12.997 356 2HG PRO 44 HG1 PRO 44 -7.250 4.765 12.169 357 1HD PRO 44 HD2 PRO 44 -6.298 2.116 13.069 358 2HD PRO 44 HD1 PRO 44 -7.951 2.664 12.722 359 H ILE 45 HN ILE 45 -4.605 2.984 8.008 360 HA ILE 45 HA ILE 45 -2.746 0.827 8.757 361 HB ILE 45 HB ILE 45 -3.098 2.174 6.073 362 1HG1 ILE 45 HG12 ILE 45 -4.115 -0.326 5.777 363 2HG1 ILE 45 HG11 ILE 45 -4.593 0.007 7.441 364 1HG2 ILE 45 HG21 ILE 45 -1.207 1.032 5.602 365 2HG2 ILE 45 HG22 ILE 45 -2.130 -0.454 5.832 366 3HG2 ILE 45 HG23 ILE 45 -1.230 0.241 7.183 367 1HD1 ILE 45 HD11 ILE 45 -5.702 2.068 6.757 368 2HD1 ILE 45 HD12 ILE 45 -6.308 0.740 5.769 369 3HD1 ILE 45 HD13 ILE 45 -5.127 1.866 5.103 370 H SER 46 HN SER 46 -0.496 1.136 8.701 371 HA SER 46 HA SER 46 0.336 3.952 8.904 372 1HB SER 46 HB2 SER 46 0.915 2.238 10.706 373 2HB SER 46 HB1 SER 46 1.996 1.504 9.524 374 HG SER 46 HG SER 46 2.152 3.958 10.845 375 H LEU 47 HN LEU 47 1.278 4.879 7.192 376 HA LEU 47 HA LEU 47 2.245 3.145 5.043 377 1HB LEU 47 HB2 LEU 47 0.563 4.946 4.574 378 2HB LEU 47 HB1 LEU 47 1.770 6.135 5.037 379 HG LEU 47 HG LEU 47 1.365 5.375 2.486 380 1HD1 LEU 47 HD11 LEU 47 3.852 6.020 2.151 381 2HD1 LEU 47 HD12 LEU 47 3.868 6.247 3.901 382 3HD1 LEU 47 HD13 LEU 47 2.769 7.194 2.896 383 1HD2 LEU 47 HD21 LEU 47 3.104 3.813 1.772 384 2HD2 LEU 47 HD22 LEU 47 2.029 3.021 2.920 385 3HD2 LEU 47 HD23 LEU 47 3.620 3.583 3.439 386 H GLN 48 HN GLN 48 4.340 2.671 5.076 387 HA GLN 48 HA GLN 48 6.255 4.744 5.919 388 1HB GLN 48 HB2 GLN 48 6.285 1.759 6.348 389 2HB GLN 48 HB1 GLN 48 7.670 2.800 6.636 390 1HG GLN 48 HG2 GLN 48 6.389 4.100 8.270 391 2HG GLN 48 HG1 GLN 48 4.958 3.122 7.943 392 1HE2 GLN 48 HE21 GLN 48 5.647 3.046 10.548 393 2HE2 GLN 48 HE22 GLN 48 6.470 1.617 10.949 394 H VAL 49 HN VAL 49 8.075 5.005 4.683 395 HA VAL 49 HA VAL 49 8.109 3.587 2.091 396 HB VAL 49 HB VAL 49 9.405 6.243 2.729 397 1HG1 VAL 49 HG11 VAL 49 8.959 4.590 0.252 398 2HG1 VAL 49 HG12 VAL 49 10.452 5.326 0.834 399 3HG1 VAL 49 HG13 VAL 49 9.181 6.336 0.143 400 1HG2 VAL 49 HG21 VAL 49 7.238 6.975 2.807 401 2HG2 VAL 49 HG22 VAL 49 6.616 5.524 2.023 402 3HG2 VAL 49 HG23 VAL 49 7.328 6.812 1.054 403 H ILE 50 HN ILE 50 9.953 2.594 1.391 404 HA ILE 50 HA ILE 50 12.235 2.623 3.265 405 HB ILE 50 HB ILE 50 11.416 0.392 1.392 406 1HG1 ILE 50 HG12 ILE 50 10.916 0.838 4.347 407 2HG1 ILE 50 HG11 ILE 50 9.712 0.610 3.084 408 1HG2 ILE 50 HG21 ILE 50 13.335 0.393 3.740 409 2HG2 ILE 50 HG22 ILE 50 13.847 0.604 2.065 410 3HG2 ILE 50 HG23 ILE 50 13.079 -0.902 2.571 411 1HD1 ILE 50 HD11 ILE 50 11.758 -1.472 3.906 412 2HD1 ILE 50 HD12 ILE 50 10.474 -1.680 2.717 413 3HD1 ILE 50 HD13 ILE 50 10.071 -1.459 4.419 414 H ASN 51 HN ASN 51 14.029 3.515 2.458 415 HA ASN 51 HA ASN 51 14.183 4.125 -0.375 416 1HB ASN 51 HB2 ASN 51 15.871 4.789 2.033 417 2HB ASN 51 HB1 ASN 51 16.442 5.119 0.400 418 1HD2 ASN 51 HD21 ASN 51 14.425 6.182 -0.980 419 2HD2 ASN 51 HD22 ASN 51 13.710 7.502 -0.188 420 H VAL 52 HN VAL 52 14.799 2.466 -1.683 421 HA VAL 52 HA VAL 52 16.207 0.190 -0.849 422 HB VAL 52 HB VAL 52 16.551 -0.284 -3.221 423 1HG1 VAL 52 HG11 VAL 52 14.383 -0.887 -3.077 424 2HG1 VAL 52 HG12 VAL 52 13.970 0.692 -3.743 425 3HG1 VAL 52 HG13 VAL 52 14.022 0.459 -1.995 426 1HG2 VAL 52 HG21 VAL 52 15.539 2.543 -3.669 427 2HG2 VAL 52 HG22 VAL 52 15.971 1.378 -4.921 428 3HG2 VAL 52 HG23 VAL 52 17.217 2.035 -3.862 429 H ALA 53 HN ALA 53 17.369 3.333 -1.788 430 HA ALA 53 HA ALA 53 20.076 2.530 -2.273 431 1HB ALA 53 HB1 ALA 53 20.491 5.035 -2.031 432 2HB ALA 53 HB2 ALA 53 18.749 5.197 -1.806 433 3HB ALA 53 HB3 ALA 53 19.387 4.545 -3.315 434 H ASP 54 HN ASP 54 18.214 3.053 0.566 435 HA ASP 54 HA ASP 54 20.561 3.681 2.173 436 1HB ASP 54 HB2 ASP 54 17.639 3.422 2.875 437 2HB ASP 54 HB1 ASP 54 18.903 3.770 4.053 438 H GLN 55 HN GLN 55 18.526 0.979 1.366 439 HA GLN 55 HA GLN 55 20.357 -0.834 2.606 440 1HB GLN 55 HB2 GLN 55 18.980 -1.756 4.322 441 2HB GLN 55 HB1 GLN 55 18.995 -0.009 4.555 442 1HG GLN 55 HG2 GLN 55 16.763 -1.771 3.610 443 2HG GLN 55 HG1 GLN 55 16.734 -0.454 4.774 444 1HE2 GLN 55 HE21 GLN 55 16.052 -1.245 1.511 445 2HE2 GLN 55 HE22 GLN 55 15.859 0.339 0.934 446 HA PRO 56 HA PRO 56 18.033 -2.602 -0.931 447 1HB PRO 56 HB2 PRO 56 20.558 -3.615 -1.859 448 2HB PRO 56 HB1 PRO 56 19.550 -2.363 -2.601 449 1HG PRO 56 HG2 PRO 56 22.023 -1.968 -1.433 450 2HG PRO 56 HG1 PRO 56 20.824 -0.710 -1.758 451 1HD PRO 56 HD2 PRO 56 21.527 -2.015 0.822 452 2HD PRO 56 HD1 PRO 56 20.878 -0.389 0.516 453 H GLN 57 HN GLN 57 19.707 -3.718 1.685 454 HA GLN 57 HA GLN 57 20.164 -6.442 1.109 455 1HB GLN 57 HB2 GLN 57 21.090 -5.113 3.051 456 2HB GLN 57 HB1 GLN 57 19.511 -5.275 3.818 457 1HG GLN 57 HG2 GLN 57 19.702 -7.740 3.670 458 2HG GLN 57 HG1 GLN 57 21.300 -7.561 2.944 459 1HE2 GLN 57 HE21 GLN 57 21.441 -8.975 5.223 460 2HE2 GLN 57 HE22 GLN 57 21.966 -8.037 6.536 461 H LEU 58 HN LEU 58 17.356 -4.867 2.736 462 HA LEU 58 HA LEU 58 16.007 -7.391 2.967 463 1HB LEU 58 HB2 LEU 58 13.985 -5.702 3.377 464 2HB LEU 58 HB1 LEU 58 15.186 -6.049 4.618 465 HG LEU 58 HG LEU 58 16.431 -4.051 4.037 466 1HD1 LEU 58 HD11 LEU 58 16.275 -3.736 1.758 467 2HD1 LEU 58 HD12 LEU 58 15.116 -2.525 2.303 468 3HD1 LEU 58 HD13 LEU 58 14.552 -4.091 1.716 469 1HD2 LEU 58 HD21 LEU 58 13.517 -3.246 4.083 470 2HD2 LEU 58 HD22 LEU 58 14.886 -2.417 4.824 471 3HD2 LEU 58 HD23 LEU 58 14.311 -3.944 5.495 472 H VAL 59 HN VAL 59 16.267 -4.971 0.510 473 HA VAL 59 HA VAL 59 13.839 -5.417 -0.873 474 HB VAL 59 HB VAL 59 16.536 -4.650 -2.012 475 1HG1 VAL 59 HG11 VAL 59 14.667 -5.425 -3.573 476 2HG1 VAL 59 HG12 VAL 59 15.334 -3.827 -3.888 477 3HG1 VAL 59 HG13 VAL 59 13.788 -3.990 -3.057 478 1HG2 VAL 59 HG21 VAL 59 15.966 -3.070 -0.292 479 2HG2 VAL 59 HG22 VAL 59 14.283 -3.028 -0.811 480 3HG2 VAL 59 HG23 VAL 59 15.536 -2.321 -1.828 481 H GLU 60 HN GLU 60 17.074 -6.896 -1.222 482 HA GLU 60 HA GLU 60 16.235 -8.743 -3.255 483 1HB GLU 60 HB2 GLU 60 18.622 -8.785 -1.387 484 2HB GLU 60 HB1 GLU 60 18.386 -9.898 -2.736 485 1HG GLU 60 HG2 GLU 60 18.247 -7.921 -4.269 486 2HG GLU 60 HG1 GLU 60 18.646 -6.884 -2.901 487 H TYR 61 HN TYR 61 16.375 -8.752 0.250 488 HA TYR 61 HA TYR 61 16.032 -11.468 0.798 489 1HB TYR 61 HB2 TYR 61 16.447 -9.780 2.537 490 2HB TYR 61 HB1 TYR 61 14.854 -9.085 2.244 491 HD1 TYR 61 HD1 TYR 61 16.569 -12.239 3.276 492 HD2 TYR 61 HD2 TYR 61 12.943 -9.941 3.296 493 HE1 TYR 61 HE1 TYR 61 15.554 -13.856 4.861 494 HE2 TYR 61 HE2 TYR 61 11.925 -11.558 4.879 495 HH TYR 61 HH TYR 61 12.520 -13.227 6.436 496 H TYR 62 HN TYR 62 13.676 -8.967 0.013 497 HA TYR 62 HA TYR 62 11.441 -10.821 0.107 498 1HB TYR 62 HB2 TYR 62 11.697 -7.907 -0.659 499 2HB TYR 62 HB1 TYR 62 10.179 -8.793 -0.697 500 HD1 TYR 62 HD1 TYR 62 12.135 -6.661 1.224 501 HD2 TYR 62 HD2 TYR 62 9.760 -10.218 1.587 502 HE1 TYR 62 HE1 TYR 62 11.852 -6.215 3.643 503 HE2 TYR 62 HE2 TYR 62 9.468 -9.774 4.011 504 HH TYR 62 HH TYR 62 10.717 -6.799 5.496 505 H ARG 63 HN ARG 63 13.855 -10.824 -1.875 506 HA ARG 63 HA ARG 63 14.214 -11.306 -4.095 507 1HB ARG 63 HB2 ARG 63 11.283 -12.067 -3.933 508 2HB ARG 63 HB1 ARG 63 12.339 -12.431 -5.298 509 1HG ARG 63 HG2 ARG 63 13.868 -13.615 -3.649 510 2HG ARG 63 HG1 ARG 63 12.575 -13.447 -2.459 511 1HD ARG 63 HD2 ARG 63 11.031 -14.572 -4.102 512 2HD ARG 63 HD1 ARG 63 12.436 -14.894 -5.111 513 HE ARG 63 HE ARG 63 12.315 -15.888 -2.328 514 1HH1 ARG 63 HH11 ARG 63 12.185 -16.491 -5.715 515 2HH1 ARG 63 HH12 ARG 63 12.861 -18.082 -5.606 516 1HH2 ARG 63 HH21 ARG 63 13.408 -17.902 -2.186 517 2HH2 ARG 63 HH22 ARG 63 13.558 -18.881 -3.607 518 H LEU 64 HN LEU 64 12.583 -8.841 -2.956 519 HA LEU 64 HA LEU 64 11.168 -7.692 -5.102 520 1HB LEU 64 HB2 LEU 64 11.253 -7.065 -2.591 521 2HB LEU 64 HB1 LEU 64 12.679 -6.131 -3.013 522 HG LEU 64 HG LEU 64 10.614 -4.764 -3.033 523 1HD1 LEU 64 HD11 LEU 64 12.652 -4.673 -4.781 524 2HD1 LEU 64 HD12 LEU 64 11.297 -3.545 -4.839 525 3HD1 LEU 64 HD13 LEU 64 11.325 -4.946 -5.910 526 1HD2 LEU 64 HD21 LEU 64 9.375 -6.940 -4.010 527 2HD2 LEU 64 HD22 LEU 64 9.686 -6.092 -5.526 528 3HD2 LEU 64 HD23 LEU 64 8.752 -5.308 -4.252 529 H VAL 65 HN VAL 65 11.839 -6.599 -6.871 530 HA VAL 65 HA VAL 65 14.582 -5.593 -7.001 531 HB VAL 65 HB VAL 65 13.637 -7.157 -9.364 532 1HG1 VAL 65 HG11 VAL 65 16.270 -6.392 -8.095 533 2HG1 VAL 65 HG12 VAL 65 15.675 -6.006 -9.709 534 3HG1 VAL 65 HG13 VAL 65 16.176 -7.652 -9.324 535 1HG2 VAL 65 HG21 VAL 65 14.863 -9.148 -8.312 536 2HG2 VAL 65 HG22 VAL 65 13.260 -8.789 -7.670 537 3HG2 VAL 65 HG23 VAL 65 14.698 -8.302 -6.774 538 H VAL 66 HN VAL 66 11.288 -5.292 -7.766 539 HA VAL 66 HA VAL 66 11.828 -3.301 -9.854 540 HB VAL 66 HB VAL 66 9.364 -3.410 -10.219 541 1HG1 VAL 66 HG11 VAL 66 9.792 -6.180 -10.621 542 2HG1 VAL 66 HG12 VAL 66 11.358 -5.390 -10.808 543 3HG1 VAL 66 HG13 VAL 66 9.987 -4.877 -11.795 544 1HG2 VAL 66 HG21 VAL 66 7.982 -4.893 -9.066 545 2HG2 VAL 66 HG22 VAL 66 9.051 -4.324 -7.785 546 3HG2 VAL 66 HG23 VAL 66 9.335 -5.894 -8.534 547 H THR 67 HN THR 67 11.273 -1.189 -9.600 548 HA THR 67 HA THR 67 9.923 -0.413 -7.121 549 HB THR 67 HB THR 67 11.580 1.495 -6.914 550 HG1 THR 67 HG1 THR 67 12.496 1.256 -8.983 551 1HG2 THR 67 HG21 THR 67 11.957 -0.014 -5.236 552 2HG2 THR 67 HG22 THR 67 13.424 -0.337 -6.161 553 3HG2 THR 67 HG23 THR 67 12.017 -1.385 -6.343 554 HA PRO 68 HA PRO 68 9.377 1.519 -6.204 555 1HB PRO 68 HB2 PRO 68 6.660 2.446 -6.266 556 2HB PRO 68 HB1 PRO 68 8.108 3.345 -5.794 557 1HG PRO 68 HG2 PRO 68 6.565 3.806 -8.049 558 2HG PRO 68 HG1 PRO 68 8.204 4.407 -7.770 559 1HD PRO 68 HD2 PRO 68 7.290 2.167 -9.494 560 2HD PRO 68 HD1 PRO 68 8.734 3.192 -9.643 561 H ALA 69 HN ALA 69 8.074 0.343 -4.626 562 HA ALA 69 HA ALA 69 6.083 -1.518 -5.695 563 1HB ALA 69 HB1 ALA 69 8.718 -2.353 -4.468 564 2HB ALA 69 HB2 ALA 69 8.060 -2.818 -6.035 565 3HB ALA 69 HB3 ALA 69 7.322 -3.425 -4.551 566 H LEU 70 HN LEU 70 4.677 -2.276 -4.125 567 HA LEU 70 HA LEU 70 5.042 -1.150 -1.423 568 1HB LEU 70 HB2 LEU 70 3.146 -0.250 -2.903 569 2HB LEU 70 HB1 LEU 70 2.383 -1.819 -2.658 570 HG LEU 70 HG LEU 70 3.375 -0.139 -0.356 571 1HD1 LEU 70 HD11 LEU 70 1.180 0.434 -2.097 572 2HD1 LEU 70 HD12 LEU 70 1.651 1.272 -0.619 573 3HD1 LEU 70 HD13 LEU 70 0.528 -0.086 -0.544 574 1HD2 LEU 70 HD21 LEU 70 1.301 -1.588 0.559 575 2HD2 LEU 70 HD22 LEU 70 2.954 -2.198 0.554 576 3HD2 LEU 70 HD23 LEU 70 1.839 -2.658 -0.732 577 H VAL 71 HN VAL 71 5.118 -2.556 0.229 578 HA VAL 71 HA VAL 71 4.171 -5.306 -0.289 579 HB VAL 71 HB VAL 71 6.610 -4.510 1.307 580 1HG1 VAL 71 HG11 VAL 71 5.135 -7.056 0.828 581 2HG1 VAL 71 HG12 VAL 71 6.036 -6.529 2.249 582 3HG1 VAL 71 HG13 VAL 71 6.896 -7.134 0.833 583 1HG2 VAL 71 HG21 VAL 71 7.064 -4.148 -1.038 584 2HG2 VAL 71 HG22 VAL 71 6.280 -5.665 -1.479 585 3HG2 VAL 71 HG23 VAL 71 7.806 -5.687 -0.597 586 H LYS 72 HN LYS 72 2.715 -6.057 1.080 587 HA LYS 72 HA LYS 72 2.200 -4.605 3.579 588 1HB LYS 72 HB2 LYS 72 0.313 -5.240 2.005 589 2HB LYS 72 HB1 LYS 72 0.624 -6.924 2.433 590 1HG LYS 72 HG2 LYS 72 0.486 -6.002 4.904 591 2HG LYS 72 HG1 LYS 72 -0.434 -4.698 4.149 592 1HD LYS 72 HD2 LYS 72 -1.710 -6.682 2.977 593 2HD LYS 72 HD1 LYS 72 -1.087 -7.614 4.341 594 1HE LYS 72 HE2 LYS 72 -2.012 -5.707 5.817 595 2HE LYS 72 HE1 LYS 72 -2.934 -5.231 4.391 596 1HZ LYS 72 HZ1 LYS 72 -3.326 -7.906 4.521 597 2HZ LYS 72 HZ2 LYS 72 -4.412 -6.726 5.081 598 3HZ LYS 72 HZ3 LYS 72 -3.322 -7.460 6.157 599 H ILE 73 HN ILE 73 2.758 -5.412 5.531 600 HA ILE 73 HA ILE 73 3.967 -8.098 5.546 601 HB ILE 73 HB ILE 73 4.718 -7.133 7.926 602 1HG1 ILE 73 HG12 ILE 73 3.392 -4.963 7.055 603 2HG1 ILE 73 HG11 ILE 73 4.822 -4.839 8.071 604 1HG2 ILE 73 HG21 ILE 73 6.751 -6.193 6.580 605 2HG2 ILE 73 HG22 ILE 73 5.883 -6.804 5.171 606 3HG2 ILE 73 HG23 ILE 73 6.369 -7.910 6.455 607 1HD1 ILE 73 HD11 ILE 73 6.236 -4.437 6.167 608 2HD1 ILE 73 HD12 ILE 73 4.846 -3.361 6.008 609 3HD1 ILE 73 HD13 ILE 73 4.935 -4.836 5.044 610 H GLY 74 HN GLY 74 1.236 -6.337 6.736 611 1HA GLY 74 HA2 GLY 74 -0.386 -8.284 7.452 612 2HA GLY 74 HA1 GLY 74 0.720 -8.346 8.819 613 HA PRO 75 HA PRO 75 -0.727 -8.772 10.460 614 1HB PRO 75 HB2 PRO 75 -3.578 -8.811 10.805 615 2HB PRO 75 HB1 PRO 75 -2.325 -8.697 12.047 616 1HG PRO 75 HG2 PRO 75 -4.087 -6.666 11.128 617 2HG PRO 75 HG1 PRO 75 -2.838 -6.558 12.370 618 1HD PRO 75 HD2 PRO 75 -2.808 -5.402 9.747 619 2HD PRO 75 HD1 PRO 75 -1.546 -5.319 10.992 620 H GLY 76 HN GLY 76 -1.682 -10.863 9.866 621 1HA GLY 76 HA2 GLY 76 -2.921 -12.279 8.423 622 2HA GLY 76 HA1 GLY 76 -3.189 -10.911 7.349 623 H SER 77 HN SER 77 -2.514 -12.729 5.807 624 HA SER 77 HA SER 77 0.179 -13.591 5.696 625 1HB SER 77 HB2 SER 77 -1.273 -14.894 4.430 626 2HB SER 77 HB1 SER 77 -2.076 -13.498 3.717 627 HG SER 77 HG SER 77 -0.257 -14.863 2.582 628 H ARG 78 HN ARG 78 1.731 -13.056 4.022 629 HA ARG 78 HA ARG 78 2.075 -10.174 3.806 630 1HB ARG 78 HB2 ARG 78 3.971 -11.628 4.440 631 2HB ARG 78 HB1 ARG 78 3.854 -12.445 2.881 632 1HG ARG 78 HG2 ARG 78 4.262 -10.283 1.734 633 2HG ARG 78 HG1 ARG 78 4.430 -9.497 3.304 634 1HD ARG 78 HD2 ARG 78 6.648 -10.024 2.491 635 2HD ARG 78 HD1 ARG 78 6.285 -11.095 3.843 636 HE ARG 78 HE ARG 78 6.653 -12.810 2.343 637 1HH1 ARG 78 HH21 ARG 78 3.965 -12.061 1.004 638 2HH1 ARG 78 HH22 ARG 78 4.444 -11.992 -0.659 639 1HH2 ARG 78 HH11 ARG 78 7.834 -11.874 0.046 640 2HH2 ARG 78 HH12 ARG 78 6.633 -11.883 -1.200 641 H GLN 79 HN GLN 79 2.141 -9.002 1.923 642 HA GLN 79 HA GLN 79 1.621 -10.395 -0.616 643 1HB GLN 79 HB2 GLN 79 -0.022 -8.072 0.423 644 2HB GLN 79 HB1 GLN 79 -0.156 -8.784 -1.184 645 1HG GLN 79 HG2 GLN 79 -0.500 -10.396 1.352 646 2HG GLN 79 HG1 GLN 79 -1.848 -9.622 0.523 647 1HE2 GLN 79 HE21 GLN 79 -1.226 -10.067 -2.164 648 2HE2 GLN 79 HE22 GLN 79 -1.184 -11.735 -2.474 649 H VAL 80 HN VAL 80 2.197 -9.152 -2.489 650 HA VAL 80 HA VAL 80 3.781 -6.728 -1.912 651 HB VAL 80 HB VAL 80 4.625 -9.028 -3.684 652 1HG1 VAL 80 HG11 VAL 80 5.326 -6.235 -3.686 653 2HG1 VAL 80 HG12 VAL 80 5.934 -7.524 -4.724 654 3HG1 VAL 80 HG13 VAL 80 6.725 -7.183 -3.186 655 1HG2 VAL 80 HG21 VAL 80 6.450 -8.223 -1.571 656 2HG2 VAL 80 HG22 VAL 80 5.776 -9.817 -1.912 657 3HG2 VAL 80 HG23 VAL 80 4.882 -8.678 -0.906 658 H LEU 81 HN LEU 81 3.159 -5.071 -3.116 659 HA LEU 81 HA LEU 81 1.939 -5.613 -5.754 660 1HB LEU 81 HB2 LEU 81 1.417 -3.192 -4.029 661 2HB LEU 81 HB1 LEU 81 0.550 -3.681 -5.482 662 HG LEU 81 HG LEU 81 0.666 -5.407 -3.002 663 1HD1 LEU 81 HD11 LEU 81 -1.901 -4.281 -3.281 664 2HD1 LEU 81 HD12 LEU 81 -0.776 -2.936 -3.456 665 3HD1 LEU 81 HD13 LEU 81 -0.730 -3.942 -2.010 666 1HD2 LEU 81 HD21 LEU 81 -1.616 -5.445 -4.883 667 2HD2 LEU 81 HD22 LEU 81 -0.769 -6.791 -4.120 668 3HD2 LEU 81 HD23 LEU 81 -0.099 -6.024 -5.551 669 H SER 82 HN SER 82 2.996 -4.784 -7.460 670 HA SER 82 HA SER 82 4.523 -2.337 -7.198 671 1HB SER 82 HB2 SER 82 6.179 -3.878 -6.370 672 2HB SER 82 HB1 SER 82 5.912 -4.969 -7.724 673 HG SER 82 HG SER 82 6.601 -3.229 -9.091 674 H GLY 83 HN GLY 83 5.701 -1.856 -9.266 675 1HA GLY 83 HA2 GLY 83 5.850 -1.924 -11.612 676 2HA GLY 83 HA1 GLY 83 4.559 -3.116 -11.640 677 H ILE 84 HN ILE 84 4.934 0.228 -10.496 678 HA ILE 84 HA ILE 84 3.467 2.007 -10.549 679 HB ILE 84 HB ILE 84 3.054 2.788 -12.773 680 1HG1 ILE 84 HG12 ILE 84 3.674 -0.013 -13.766 681 2HG1 ILE 84 HG11 ILE 84 2.032 0.611 -13.584 682 1HG2 ILE 84 HG21 ILE 84 5.450 1.312 -13.523 683 2HG2 ILE 84 HG22 ILE 84 5.538 1.883 -11.859 684 3HG2 ILE 84 HG23 ILE 84 5.263 3.028 -13.171 685 1HD1 ILE 84 HD11 ILE 84 2.713 2.542 -15.076 686 2HD1 ILE 84 HD12 ILE 84 2.676 0.970 -15.874 687 3HD1 ILE 84 HD13 ILE 84 4.218 1.673 -15.388 688 H ASP 85 HN ASP 85 2.215 -0.975 -10.601 689 HA ASP 85 HA ASP 85 -0.546 -0.106 -11.177 690 1HB ASP 85 HB2 ASP 85 -1.108 -2.473 -11.267 691 2HB ASP 85 HB1 ASP 85 0.274 -2.161 -12.316 692 H LEU 86 HN LEU 86 1.374 0.126 -8.704 693 HA LEU 86 HA LEU 86 0.447 -1.274 -6.528 694 1HB LEU 86 HB2 LEU 86 1.417 1.577 -6.743 695 2HB LEU 86 HB1 LEU 86 1.104 0.777 -5.209 696 HG LEU 86 HG LEU 86 2.673 -1.087 -6.057 697 1HD1 LEU 86 HD11 LEU 86 2.978 1.013 -8.160 698 2HD1 LEU 86 HD12 LEU 86 3.087 -0.743 -8.301 699 3HD1 LEU 86 HD13 LEU 86 4.434 0.174 -7.630 700 1HD2 LEU 86 HD21 LEU 86 4.296 -0.117 -4.791 701 2HD2 LEU 86 HD22 LEU 86 3.123 1.180 -4.561 702 3HD2 LEU 86 HD23 LEU 86 4.358 1.319 -5.812 703 H THR 87 HN THR 87 -0.820 1.866 -7.700 704 HA THR 87 HA THR 87 -2.776 2.113 -5.690 705 HB THR 87 HB THR 87 -3.739 3.865 -7.073 706 HG1 THR 87 HG1 THR 87 -1.948 3.087 -9.111 707 1HG2 THR 87 HG21 THR 87 -1.573 4.274 -5.902 708 2HG2 THR 87 HG22 THR 87 -1.748 5.244 -7.362 709 3HG2 THR 87 HG23 THR 87 -0.722 3.810 -7.374 710 H ASP 88 HN ASP 88 -2.999 0.679 -8.945 711 HA ASP 88 HA ASP 88 -5.816 0.242 -8.769 712 1HB ASP 88 HB2 ASP 88 -3.677 -1.015 -10.502 713 2HB ASP 88 HB1 ASP 88 -5.401 -1.323 -10.683 714 H GLN 89 HN GLN 89 -2.967 -1.821 -8.297 715 HA GLN 89 HA GLN 89 -4.439 -4.131 -7.510 716 1HB GLN 89 HB2 GLN 89 -1.837 -3.645 -8.194 717 2HB GLN 89 HB1 GLN 89 -1.707 -3.844 -6.445 718 1HG GLN 89 HG2 GLN 89 -2.871 -5.991 -6.569 719 2HG GLN 89 HG1 GLN 89 -3.126 -5.779 -8.300 720 1HE2 GLN 89 HE21 GLN 89 -0.182 -4.458 -7.996 721 2HE2 GLN 89 HE22 GLN 89 0.802 -5.828 -8.174 722 H LEU 90 HN LEU 90 -2.862 -1.484 -5.716 723 HA LEU 90 HA LEU 90 -3.235 -2.493 -3.125 724 1HB LEU 90 HB2 LEU 90 -1.844 -0.542 -3.551 725 2HB LEU 90 HB1 LEU 90 -3.251 0.375 -4.093 726 HG LEU 90 HG LEU 90 -4.269 0.038 -1.824 727 1HD1 LEU 90 HD11 LEU 90 -1.585 -1.264 -1.363 728 2HD1 LEU 90 HD12 LEU 90 -3.187 -1.905 -1.002 729 3HD1 LEU 90 HD13 LEU 90 -2.524 -0.589 -0.032 730 1HD2 LEU 90 HD21 LEU 90 -3.031 1.799 -0.814 731 2HD2 LEU 90 HD22 LEU 90 -2.813 2.037 -2.548 732 3HD2 LEU 90 HD23 LEU 90 -1.531 1.295 -1.591 733 H ALA 91 HN ALA 91 -5.340 -0.398 -5.084 734 HA ALA 91 HA ALA 91 -7.416 -0.098 -3.220 735 1HB ALA 91 HB1 ALA 91 -8.810 0.523 -5.118 736 2HB ALA 91 HB2 ALA 91 -7.660 -0.211 -6.238 737 3HB ALA 91 HB3 ALA 91 -7.203 1.223 -5.317 738 H ASN 92 HN ASN 92 -6.642 -2.677 -5.453 739 HA ASN 92 HA ASN 92 -9.136 -4.083 -5.081 740 1HB ASN 92 HB2 ASN 92 -6.526 -4.734 -6.436 741 2HB ASN 92 HB1 ASN 92 -7.844 -5.892 -6.318 742 1HD2 ASN 92 HD21 ASN 92 -9.500 -3.092 -6.423 743 2HD2 ASN 92 HD22 ASN 92 -9.670 -2.889 -8.099 744 H GLN 93 HN GLN 93 -5.850 -4.257 -3.831 745 HA GLN 93 HA GLN 93 -6.259 -6.724 -2.433 746 1HB GLN 93 HB2 GLN 93 -4.089 -4.630 -2.325 747 2HB GLN 93 HB1 GLN 93 -4.066 -6.093 -1.350 748 1HG GLN 93 HG2 GLN 93 -4.153 -5.968 -4.372 749 2HG GLN 93 HG1 GLN 93 -2.777 -6.441 -3.382 750 1HE2 GLN 93 HE21 GLN 93 -4.998 -7.844 -5.290 751 2HE2 GLN 93 HE22 GLN 93 -5.233 -9.302 -4.459 752 H LEU 94 HN LEU 94 -6.376 -3.303 -1.598 753 HA LEU 94 HA LEU 94 -6.372 -3.468 1.158 754 1HB LEU 94 HB2 LEU 94 -6.307 -1.315 0.293 755 2HB LEU 94 HB1 LEU 94 -7.664 -1.589 -0.786 756 HG LEU 94 HG LEU 94 -9.234 -1.538 1.038 757 1HD1 LEU 94 HD11 LEU 94 -8.370 -2.610 2.881 758 2HD1 LEU 94 HD12 LEU 94 -8.043 -0.951 3.375 759 3HD1 LEU 94 HD13 LEU 94 -6.761 -1.923 2.658 760 1HD2 LEU 94 HD21 LEU 94 -9.157 0.716 1.135 761 2HD2 LEU 94 HD22 LEU 94 -7.566 0.632 0.377 762 3HD2 LEU 94 HD23 LEU 94 -7.704 0.673 2.136 763 HA PRO 95 HA PRO 95 -11.263 -3.993 1.105 764 1HB PRO 95 HB2 PRO 95 -11.815 -5.495 -1.282 765 2HB PRO 95 HB1 PRO 95 -12.444 -3.903 -0.831 766 1HG PRO 95 HG2 PRO 95 -10.323 -4.596 -2.699 767 2HG PRO 95 HG1 PRO 95 -11.226 -3.087 -2.529 768 1HD PRO 95 HD2 PRO 95 -8.576 -3.380 -1.829 769 2HD PRO 95 HD1 PRO 95 -9.667 -2.161 -1.133 770 H GLN 96 HN GLN 96 -9.268 -6.288 -0.739 771 HA GLN 96 HA GLN 96 -10.356 -8.678 0.287 772 1HB GLN 96 HB2 GLN 96 -7.562 -8.105 -0.734 773 2HB GLN 96 HB1 GLN 96 -8.250 -9.712 -0.500 774 1HG GLN 96 HG2 GLN 96 -10.015 -9.225 -2.126 775 2HG GLN 96 HG1 GLN 96 -9.401 -7.584 -2.324 776 1HE2 GLN 96 HE21 GLN 96 -9.406 -8.783 -4.685 777 2HE2 GLN 96 HE22 GLN 96 -7.890 -9.411 -5.122 778 H TRP 97 HN TRP 97 -7.852 -6.517 1.477 779 HA TRP 97 HA TRP 97 -6.757 -8.198 3.458 780 1HB TRP 97 HB2 TRP 97 -7.022 -5.183 3.429 781 2HB TRP 97 HB1 TRP 97 -5.963 -6.108 4.495 782 HD1 TRP 97 HD1 TRP 97 -5.751 -8.076 1.570 783 HE1 TRP 97 HE1 TRP 97 -3.789 -7.416 0.039 784 HE3 TRP 97 HE3 TRP 97 -4.691 -3.440 3.449 785 HZ2 TRP 97 HZ2 TRP 97 -2.010 -5.213 -0.342 786 HZ3 TRP 97 HZ3 TRP 97 -2.859 -2.085 2.475 787 HH2 TRP 97 HH2 TRP 97 -1.519 -2.963 0.583 788 H LEU 98 HN LEU 98 -9.579 -6.123 3.382 789 HA LEU 98 HA LEU 98 -10.238 -6.454 6.169 790 1HB LEU 98 HB2 LEU 98 -11.850 -5.469 3.802 791 2HB LEU 98 HB1 LEU 98 -12.371 -5.386 5.482 792 HG LEU 98 HG LEU 98 -9.793 -4.154 4.493 793 1HD1 LEU 98 HD11 LEU 98 -11.121 -2.628 3.473 794 2HD1 LEU 98 HD12 LEU 98 -11.543 -2.093 5.100 795 3HD1 LEU 98 HD13 LEU 98 -12.573 -3.250 4.257 796 1HD2 LEU 98 HD21 LEU 98 -11.011 -4.598 7.073 797 2HD2 LEU 98 HD22 LEU 98 -10.896 -2.864 6.769 798 3HD2 LEU 98 HD23 LEU 98 -9.448 -3.870 6.704 799 H VAL 99 HN VAL 99 -10.903 -8.011 3.143 800 HA VAL 99 HA VAL 99 -12.918 -9.779 4.352 801 HB VAL 99 HB VAL 99 -12.104 -9.542 1.453 802 1HG1 VAL 99 HG11 VAL 99 -13.325 -11.476 1.489 803 2HG1 VAL 99 HG12 VAL 99 -14.678 -10.344 1.468 804 3HG1 VAL 99 HG13 VAL 99 -14.146 -11.054 2.993 805 1HG2 VAL 99 HG21 VAL 99 -13.169 -7.557 1.427 806 2HG2 VAL 99 HG22 VAL 99 -13.572 -7.712 3.138 807 3HG2 VAL 99 HG23 VAL 99 -14.646 -8.388 1.914 808 H GLN 100 HN GLN 100 -10.012 -10.082 4.930 809 HA GLN 100 HA GLN 100 -8.916 -12.213 3.426 810 1HB GLN 100 HB2 GLN 100 -8.434 -11.329 6.275 811 2HB GLN 100 HB1 GLN 100 -7.506 -12.605 5.483 812 1HG GLN 100 HG2 GLN 100 -7.815 -9.821 4.353 813 2HG GLN 100 HG1 GLN 100 -6.454 -10.308 5.358 814 1HE2 GLN 100 HE21 GLN 100 -6.408 -9.518 2.459 815 2HE2 GLN 100 HE22 GLN 100 -5.754 -10.851 1.638 816 H GLN 101 HN GLN 101 -11.417 -13.067 3.555 817 HA GLN 101 HA GLN 101 -11.794 -14.884 5.795 818 1HB GLN 101 HB2 GLN 101 -13.421 -14.481 3.271 819 2HB GLN 101 HB1 GLN 101 -13.895 -15.475 4.650 820 1HG GLN 101 HG2 GLN 101 -13.840 -13.506 6.115 821 2HG GLN 101 HG1 GLN 101 -13.321 -12.501 4.763 822 1HE2 GLN 101 HE21 GLN 101 -15.788 -12.084 6.255 823 2HE2 GLN 101 HE22 GLN 101 -17.075 -12.323 5.174 824 H GLU 102 HN GLU 102 -9.919 -14.960 3.106 825 HA GLU 102 HA GLU 102 -10.351 -17.819 2.556 826 1HB GLU 102 HB2 GLU 102 -8.737 -15.729 1.083 827 2HB GLU 102 HB1 GLU 102 -8.841 -17.427 0.617 828 1HG GLU 102 HG2 GLU 102 -11.202 -15.541 0.873 829 2HG GLU 102 HG1 GLU 102 -10.453 -16.027 -0.646 830 H GLY 103 HN GLY 103 -8.830 -19.345 2.937 831 1HA GLY 103 HA2 GLY 103 -6.434 -18.478 4.441 832 2HA GLY 103 HA1 GLY 103 -7.254 -20.022 4.669 833 H ILE 104 HN ILE 104 -7.591 -20.014 1.610 834 HA ILE 104 HA ILE 104 -4.924 -21.143 1.024 835 HB ILE 104 HB ILE 104 -7.545 -21.749 -0.363 836 1HG1 ILE 104 HG12 ILE 104 -6.102 -23.490 1.646 837 2HG1 ILE 104 HG11 ILE 104 -7.393 -22.386 2.123 838 1HG2 ILE 104 HG21 ILE 104 -6.318 -23.619 -1.305 839 2HG2 ILE 104 HG22 ILE 104 -4.911 -23.250 -0.308 840 3HG2 ILE 104 HG23 ILE 104 -5.385 -22.151 -1.601 841 1HD1 ILE 104 HD11 ILE 104 -8.535 -24.408 1.733 842 2HD1 ILE 104 HD12 ILE 104 -7.548 -24.799 0.324 843 3HD1 ILE 104 HD13 ILE 104 -8.760 -23.522 0.224 844 H PHE 105 HN PHE 105 -3.779 -20.390 -0.705 845 HA PHE 105 HA PHE 105 -5.056 -18.263 -2.319 846 1HB PHE 105 HB2 PHE 105 -2.963 -17.157 -2.464 847 2HB PHE 105 HB1 PHE 105 -3.128 -17.626 -0.771 848 HD1 PHE 105 HD1 PHE 105 -1.194 -18.001 -3.805 849 HD2 PHE 105 HD2 PHE 105 -1.993 -19.749 0.037 850 HE1 PHE 105 HE1 PHE 105 0.898 -19.320 -3.972 851 HE2 PHE 105 HE2 PHE 105 0.101 -21.067 -0.130 852 HZ PHE 105 HZ PHE 105 1.546 -20.854 -2.134 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 -9.185 -2.104 42.187 2 2H GLY 1 HT2 GLY 1 -8.895 -3.705 42.675 3 3H GLY 1 HT3 GLY 1 -10.095 -2.784 43.445 4 1HA GLY 1 HA2 GLY 1 -11.221 -4.247 41.991 5 2HA GLY 1 HA1 GLY 1 -11.274 -2.641 41.261 6 H SER 2 HN SER 2 -10.027 -2.196 39.436 7 HA SER 2 HA SER 2 -8.320 -4.287 38.329 8 1HB SER 2 HB2 SER 2 -10.510 -4.951 37.496 9 2HB SER 2 HB1 SER 2 -10.818 -3.315 36.925 10 HG SER 2 HG SER 2 -9.941 -4.064 35.158 11 H SER 3 HN SER 3 -7.253 -2.059 39.172 12 HA SER 3 HA SER 3 -7.321 0.141 37.355 13 1HB SER 3 HB2 SER 3 -6.518 0.109 39.807 14 2HB SER 3 HB1 SER 3 -5.007 -0.530 39.167 15 HG SER 3 HG SER 3 -4.986 1.326 37.758 16 H LEU 4 HN LEU 4 -6.178 -2.939 36.995 17 HA LEU 4 HA LEU 4 -3.942 -2.168 35.244 18 1HB LEU 4 HB2 LEU 4 -3.576 -3.908 37.002 19 2HB LEU 4 HB1 LEU 4 -4.765 -4.922 36.185 20 HG LEU 4 HG LEU 4 -3.386 -4.815 34.112 21 1HD1 LEU 4 HD11 LEU 4 -0.917 -4.057 34.716 22 2HD1 LEU 4 HD12 LEU 4 -1.751 -3.060 35.908 23 3HD1 LEU 4 HD13 LEU 4 -2.116 -2.873 34.193 24 1HD2 LEU 4 HD21 LEU 4 -1.278 -5.943 35.435 25 2HD2 LEU 4 HD22 LEU 4 -2.800 -6.781 35.131 26 3HD2 LEU 4 HD23 LEU 4 -2.519 -6.000 36.687 27 H SER 5 HN SER 5 -4.106 -2.309 33.079 28 HA SER 5 HA SER 5 -6.445 -3.727 31.941 29 1HB SER 5 HB2 SER 5 -6.469 -2.000 30.162 30 2HB SER 5 HB1 SER 5 -6.755 -1.308 31.756 31 HG SER 5 HG SER 5 -4.665 -0.955 30.013 32 HA PRO 6 HA PRO 6 -2.589 -5.501 30.150 33 1HB PRO 6 HB2 PRO 6 -3.768 -8.109 30.476 34 2HB PRO 6 HB1 PRO 6 -2.383 -7.414 31.331 35 1HG PRO 6 HG2 PRO 6 -4.830 -7.989 32.462 36 2HG PRO 6 HG1 PRO 6 -3.625 -6.877 33.126 37 1HD PRO 6 HD2 PRO 6 -6.139 -6.257 31.641 38 2HD PRO 6 HD1 PRO 6 -5.330 -5.340 32.933 39 H GLN 7 HN GLN 7 -5.834 -5.385 29.220 40 HA GLN 7 HA GLN 7 -5.819 -7.206 27.034 41 1HB GLN 7 HB2 GLN 7 -7.505 -4.792 27.688 42 2HB GLN 7 HB1 GLN 7 -7.750 -5.742 26.223 43 1HG GLN 7 HG2 GLN 7 -9.232 -6.703 27.803 44 2HG GLN 7 HG1 GLN 7 -7.845 -7.792 27.777 45 1HE2 GLN 7 HE21 GLN 7 -7.706 -8.501 29.933 46 2HE2 GLN 7 HE22 GLN 7 -7.611 -7.461 31.271 47 H ALA 8 HN ALA 8 -4.823 -7.067 25.141 48 HA ALA 8 HA ALA 8 -3.441 -4.611 24.408 49 1HB ALA 8 HB1 ALA 8 -3.382 -6.943 22.587 50 2HB ALA 8 HB2 ALA 8 -2.716 -7.206 24.198 51 3HB ALA 8 HB3 ALA 8 -2.060 -5.931 23.171 52 H LEU 9 HN LEU 9 -4.092 -3.214 22.906 53 HA LEU 9 HA LEU 9 -6.638 -3.648 21.565 54 1HB LEU 9 HB2 LEU 9 -6.169 -1.289 20.711 55 2HB LEU 9 HB1 LEU 9 -6.356 -1.463 22.456 56 HG LEU 9 HG LEU 9 -3.597 -1.871 21.533 57 1HD1 LEU 9 HD11 LEU 9 -3.235 0.608 21.219 58 2HD1 LEU 9 HD12 LEU 9 -4.986 0.792 21.131 59 3HD1 LEU 9 HD13 LEU 9 -4.137 -0.162 19.915 60 1HD2 LEU 9 HD21 LEU 9 -3.119 -0.510 23.475 61 2HD2 LEU 9 HD22 LEU 9 -4.423 -1.615 23.909 62 3HD2 LEU 9 HD23 LEU 9 -4.784 0.070 23.539 63 H ALA 10 HN ALA 10 -6.886 -3.301 19.236 64 HA ALA 10 HA ALA 10 -5.022 -4.823 17.723 65 1HB ALA 10 HB1 ALA 10 -7.511 -4.503 17.253 66 2HB ALA 10 HB2 ALA 10 -6.434 -4.415 15.860 67 3HB ALA 10 HB3 ALA 10 -7.075 -2.935 16.574 68 H GLN 11 HN GLN 11 -3.346 -4.220 16.451 69 HA GLN 11 HA GLN 11 -2.483 -1.436 16.629 70 1HB GLN 11 HB2 GLN 11 -1.007 -3.722 15.317 71 2HB GLN 11 HB1 GLN 11 -0.342 -2.199 15.910 72 1HG GLN 11 HG2 GLN 11 -0.952 -2.831 18.212 73 2HG GLN 11 HG1 GLN 11 -1.604 -4.357 17.621 74 1HE2 GLN 11 HE21 GLN 11 -0.006 -5.873 16.571 75 2HE2 GLN 11 HE22 GLN 11 1.624 -5.795 17.043 76 HA PRO 12 HA PRO 12 -3.883 -0.202 12.651 77 1HB PRO 12 HB2 PRO 12 -1.390 1.006 11.888 78 2HB PRO 12 HB1 PRO 12 -2.858 1.806 12.465 79 1HG PRO 12 HG2 PRO 12 -0.391 1.254 13.879 80 2HG PRO 12 HG1 PRO 12 -1.735 2.310 14.332 81 1HD PRO 12 HD2 PRO 12 -1.115 -0.102 15.573 82 2HD PRO 12 HD1 PRO 12 -2.692 0.712 15.656 83 H LEU 13 HN LEU 13 -3.123 -0.323 10.273 84 HA LEU 13 HA LEU 13 -2.123 -2.993 9.795 85 1HB LEU 13 HB2 LEU 13 -3.970 -1.835 8.485 86 2HB LEU 13 HB1 LEU 13 -2.712 -0.851 7.756 87 HG LEU 13 HG LEU 13 -2.622 -3.864 7.716 88 1HD1 LEU 13 HD11 LEU 13 -4.261 -3.840 6.172 89 2HD1 LEU 13 HD12 LEU 13 -3.265 -2.789 5.163 90 3HD1 LEU 13 HD13 LEU 13 -4.397 -2.084 6.318 91 1HD2 LEU 13 HD21 LEU 13 -0.966 -1.637 6.723 92 2HD2 LEU 13 HD22 LEU 13 -1.338 -2.846 5.493 93 3HD2 LEU 13 HD23 LEU 13 -0.533 -3.327 6.985 94 H LEU 14 HN LEU 14 -0.093 -3.561 9.071 95 HA LEU 14 HA LEU 14 1.904 -1.428 9.079 96 1HB LEU 14 HB2 LEU 14 2.118 -4.451 9.002 97 2HB LEU 14 HB1 LEU 14 3.499 -3.363 8.960 98 HG LEU 14 HG LEU 14 2.644 -4.365 11.261 99 1HD1 LEU 14 HD11 LEU 14 4.514 -2.926 11.280 100 2HD1 LEU 14 HD12 LEU 14 3.351 -2.136 12.345 101 3HD1 LEU 14 HD13 LEU 14 3.574 -1.554 10.694 102 1HD2 LEU 14 HD21 LEU 14 0.321 -3.520 10.985 103 2HD2 LEU 14 HD22 LEU 14 0.944 -1.868 10.970 104 3HD2 LEU 14 HD23 LEU 14 1.102 -2.856 12.416 105 H LEU 15 HN LEU 15 1.957 -0.379 7.215 106 HA LEU 15 HA LEU 15 2.022 -1.944 4.709 107 1HB LEU 15 HB2 LEU 15 0.060 -0.337 5.215 108 2HB LEU 15 HB1 LEU 15 1.227 0.957 4.959 109 HG LEU 15 HG LEU 15 -0.060 0.412 2.905 110 1HD1 LEU 15 HD11 LEU 15 1.757 0.787 1.564 111 2HD1 LEU 15 HD12 LEU 15 2.695 -0.515 2.290 112 3HD1 LEU 15 HD13 LEU 15 2.541 1.031 3.123 113 1HD2 LEU 15 HD21 LEU 15 0.089 -2.165 3.682 114 2HD2 LEU 15 HD22 LEU 15 1.459 -2.132 2.574 115 3HD2 LEU 15 HD23 LEU 15 -0.154 -1.700 1.998 116 H GLN 16 HN GLN 16 3.822 -1.739 3.452 117 HA GLN 16 HA GLN 16 5.648 0.484 4.103 118 1HB GLN 16 HB2 GLN 16 6.257 -2.432 3.804 119 2HB GLN 16 HB1 GLN 16 7.489 -1.225 3.429 120 1HG GLN 16 HG2 GLN 16 7.252 -0.249 5.658 121 2HG GLN 16 HG1 GLN 16 5.979 -1.412 6.052 122 1HE2 GLN 16 HE21 GLN 16 8.126 -3.059 4.106 123 2HE2 GLN 16 HE22 GLN 16 9.114 -3.746 5.304 124 H LEU 17 HN LEU 17 7.031 1.206 2.427 125 HA LEU 17 HA LEU 17 6.323 0.336 -0.286 126 1HB LEU 17 HB2 LEU 17 4.935 2.302 0.243 127 2HB LEU 17 HB1 LEU 17 6.394 3.215 0.624 128 HG LEU 17 HG LEU 17 7.170 2.567 -1.767 129 1HD1 LEU 17 HD11 LEU 17 5.697 1.591 -3.195 130 2HD1 LEU 17 HD12 LEU 17 4.339 2.528 -2.579 131 3HD1 LEU 17 HD13 LEU 17 4.865 1.077 -1.732 132 1HD2 LEU 17 HD21 LEU 17 6.212 4.567 -2.634 133 2HD2 LEU 17 HD22 LEU 17 6.320 4.833 -0.894 134 3HD2 LEU 17 HD23 LEU 17 4.774 4.407 -1.627 135 H PHE 18 HN PHE 18 8.052 0.011 -1.515 136 HA PHE 18 HA PHE 18 10.654 1.018 -0.575 137 1HB PHE 18 HB2 PHE 18 9.881 -1.096 -2.600 138 2HB PHE 18 HB1 PHE 18 11.538 -0.548 -2.363 139 HD1 PHE 18 HD1 PHE 18 8.794 -2.540 -1.005 140 HD2 PHE 18 HD2 PHE 18 12.673 -0.896 -0.173 141 HE1 PHE 18 HE1 PHE 18 9.044 -4.092 0.914 142 HE2 PHE 18 HE2 PHE 18 12.926 -2.446 1.742 143 HZ PHE 18 HZ PHE 18 11.109 -4.045 2.287 144 H VAL 19 HN VAL 19 11.440 2.828 -1.478 145 HA VAL 19 HA VAL 19 10.707 3.401 -4.284 146 HB VAL 19 HB VAL 19 10.271 5.688 -3.782 147 1HG1 VAL 19 HG11 VAL 19 8.993 3.845 -1.741 148 2HG1 VAL 19 HG12 VAL 19 8.380 4.223 -3.349 149 3HG1 VAL 19 HG13 VAL 19 8.413 5.470 -2.102 150 1HG2 VAL 19 HG21 VAL 19 11.281 4.978 -1.017 151 2HG2 VAL 19 HG22 VAL 19 10.431 6.481 -1.380 152 3HG2 VAL 19 HG23 VAL 19 11.981 6.135 -2.148 153 H ASP 20 HN ASP 20 12.091 4.860 -5.386 154 HA ASP 20 HA ASP 20 14.885 4.715 -4.461 155 1HB ASP 20 HB2 ASP 20 15.475 5.092 -6.814 156 2HB ASP 20 HB1 ASP 20 14.406 3.699 -6.656 157 H THR 21 HN THR 21 12.651 6.694 -3.780 158 HA THR 21 HA THR 21 12.529 8.911 -3.229 159 HB THR 21 HB THR 21 14.512 10.241 -3.128 160 HG1 THR 21 HG1 THR 21 16.084 8.387 -4.455 161 1HG2 THR 21 HG21 THR 21 15.022 8.896 -1.398 162 2HG2 THR 21 HG22 THR 21 16.140 8.073 -2.488 163 3HG2 THR 21 HG23 THR 21 14.501 7.457 -2.274 164 H ARG 22 HN ARG 22 12.502 7.726 -6.202 165 HA ARG 22 HA ARG 22 12.802 10.064 -7.835 166 1HB ARG 22 HB2 ARG 22 12.070 8.714 -9.617 167 2HB ARG 22 HB1 ARG 22 12.870 7.565 -8.540 168 1HG ARG 22 HG2 ARG 22 10.637 7.077 -7.502 169 2HG ARG 22 HG1 ARG 22 9.897 8.097 -8.736 170 1HD ARG 22 HD2 ARG 22 11.593 5.653 -9.299 171 2HD ARG 22 HD1 ARG 22 9.833 5.691 -9.347 172 HE ARG 22 HE ARG 22 10.498 7.676 -11.062 173 1HH1 ARG 22 HH11 ARG 22 12.849 5.376 -10.863 174 2HH1 ARG 22 HH12 ARG 22 12.649 4.720 -12.453 175 1HH2 ARG 22 HH21 ARG 22 9.676 6.402 -13.059 176 2HH2 ARG 22 HH22 ARG 22 10.852 5.302 -13.697 177 HA PRO 23 HA PRO 23 9.066 12.231 -7.033 178 1HB PRO 23 HB2 PRO 23 8.365 12.614 -9.787 179 2HB PRO 23 HB1 PRO 23 9.125 13.769 -8.685 180 1HG PRO 23 HG2 PRO 23 10.305 12.202 -10.808 181 2HG PRO 23 HG1 PRO 23 10.981 13.572 -9.916 182 1HD PRO 23 HD2 PRO 23 11.828 10.928 -9.663 183 2HD PRO 23 HD1 PRO 23 12.126 12.209 -8.471 184 H LEU 24 HN LEU 24 8.951 9.824 -9.647 185 HA LEU 24 HA LEU 24 6.202 9.458 -9.859 186 1HB LEU 24 HB2 LEU 24 7.879 8.399 -11.345 187 2HB LEU 24 HB1 LEU 24 8.352 7.327 -10.030 188 HG LEU 24 HG LEU 24 5.849 6.682 -9.926 189 1HD1 LEU 24 HD11 LEU 24 4.841 6.855 -12.287 190 2HD1 LEU 24 HD12 LEU 24 6.052 8.101 -12.585 191 3HD1 LEU 24 HD13 LEU 24 4.848 8.329 -11.317 192 1HD2 LEU 24 HD21 LEU 24 7.587 5.151 -10.687 193 2HD2 LEU 24 HD22 LEU 24 7.627 5.934 -12.267 194 3HD2 LEU 24 HD23 LEU 24 6.201 5.022 -11.771 195 H SER 25 HN SER 25 8.505 7.982 -7.587 196 HA SER 25 HA SER 25 6.614 6.306 -6.292 197 1HB SER 25 HB2 SER 25 8.291 6.025 -4.589 198 2HB SER 25 HB1 SER 25 9.115 6.062 -6.146 199 HG SER 25 HG SER 25 8.702 8.442 -4.706 200 H GLN 26 HN GLN 26 7.865 9.557 -5.636 201 HA GLN 26 HA GLN 26 6.396 9.998 -3.247 202 1HB GLN 26 HB2 GLN 26 7.302 12.054 -5.288 203 2HB GLN 26 HB1 GLN 26 6.917 12.351 -3.591 204 1HG GLN 26 HG2 GLN 26 9.221 10.719 -4.690 205 2HG GLN 26 HG1 GLN 26 9.320 12.226 -3.785 206 1HE2 GLN 26 HE21 GLN 26 10.191 9.246 -3.247 207 2HE2 GLN 26 HE22 GLN 26 9.659 8.990 -1.655 208 H HIS 27 HN HIS 27 5.760 10.311 -6.644 209 HA HIS 27 HA HIS 27 3.321 11.759 -6.596 210 1HB HIS 27 HB2 HIS 27 5.018 10.875 -8.516 211 2HB HIS 27 HB1 HIS 27 3.781 9.636 -8.631 212 HD1 HIS 27 HD1 HIS 27 1.449 11.813 -7.850 213 HD2 HIS 27 HD2 HIS 27 4.230 12.018 -10.951 214 HE1 HIS 27 HE1 HIS 27 0.466 13.380 -9.585 215 H ILE 28 HN ILE 28 4.027 8.307 -6.978 216 HA ILE 28 HA ILE 28 1.370 7.382 -6.712 217 HB ILE 28 HB ILE 28 4.032 5.997 -6.335 218 1HG1 ILE 28 HG12 ILE 28 2.039 5.817 -8.609 219 2HG1 ILE 28 HG11 ILE 28 3.370 6.976 -8.599 220 1HG2 ILE 28 HG21 ILE 28 1.260 5.099 -5.890 221 2HG2 ILE 28 HG22 ILE 28 2.775 4.374 -5.357 222 3HG2 ILE 28 HG23 ILE 28 2.177 4.067 -6.987 223 1HD1 ILE 28 HD11 ILE 28 3.861 4.792 -9.795 224 2HD1 ILE 28 HD12 ILE 28 3.773 4.000 -8.220 225 3HD1 ILE 28 HD13 ILE 28 5.004 5.225 -8.526 226 H VAL 29 HN VAL 29 3.921 8.064 -4.377 227 HA VAL 29 HA VAL 29 2.868 6.701 -2.165 228 HB VAL 29 HB VAL 29 4.438 9.285 -2.334 229 1HG1 VAL 29 HG11 VAL 29 3.005 8.099 -0.090 230 2HG1 VAL 29 HG12 VAL 29 3.852 9.644 -0.180 231 3HG1 VAL 29 HG13 VAL 29 4.739 8.173 0.221 232 1HG2 VAL 29 HG21 VAL 29 5.159 6.628 -2.724 233 2HG2 VAL 29 HG22 VAL 29 5.594 6.920 -1.041 234 3HG2 VAL 29 HG23 VAL 29 6.266 7.939 -2.314 235 H GLN 30 HN GLN 30 2.148 9.906 -3.499 236 HA GLN 30 HA GLN 30 0.300 10.697 -1.509 237 1HB GLN 30 HB2 GLN 30 0.363 11.392 -4.461 238 2HB GLN 30 HB1 GLN 30 -0.629 12.205 -3.251 239 1HG GLN 30 HG2 GLN 30 2.395 12.096 -3.350 240 2HG GLN 30 HG1 GLN 30 1.374 13.512 -3.581 241 1HE2 GLN 30 HE21 GLN 30 3.319 12.112 -1.307 242 2HE2 GLN 30 HE22 GLN 30 2.564 12.680 0.104 243 H ARG 31 HN ARG 31 0.004 8.817 -4.494 244 HA ARG 31 HA ARG 31 -2.812 8.514 -4.421 245 1HB ARG 31 HB2 ARG 31 -0.676 6.749 -5.602 246 2HB ARG 31 HB1 ARG 31 -2.409 6.512 -5.838 247 1HG ARG 31 HG2 ARG 31 -2.530 8.881 -6.682 248 2HG ARG 31 HG1 ARG 31 -0.768 8.915 -6.647 249 1HD ARG 31 HD2 ARG 31 -1.365 8.305 -8.861 250 2HD ARG 31 HD1 ARG 31 -0.823 6.830 -8.073 251 HE ARG 31 HE ARG 31 -3.406 6.591 -7.649 252 1HH1 ARG 31 HH11 ARG 31 -2.797 8.758 -10.102 253 2HH1 ARG 31 HH12 ARG 31 -3.577 7.860 -11.362 254 1HH2 ARG 31 HH21 ARG 31 -3.983 5.006 -9.436 255 2HH2 ARG 31 HH22 ARG 31 -4.247 5.734 -10.985 256 H VAL 32 HN VAL 32 -0.145 6.598 -3.076 257 HA VAL 32 HA VAL 32 -1.702 4.476 -2.064 258 HB VAL 32 HB VAL 32 0.964 5.617 -1.192 259 1HG1 VAL 32 HG11 VAL 32 -0.448 3.091 -0.283 260 2HG1 VAL 32 HG12 VAL 32 -0.078 4.494 0.720 261 3HG1 VAL 32 HG13 VAL 32 1.230 3.500 0.076 262 1HG2 VAL 32 HG21 VAL 32 -0.002 3.617 -3.149 263 2HG2 VAL 32 HG22 VAL 32 1.378 3.106 -2.176 264 3HG2 VAL 32 HG23 VAL 32 1.481 4.571 -3.153 265 H LYS 33 HN LYS 33 -0.488 7.435 -0.494 266 HA LYS 33 HA LYS 33 -1.771 7.016 1.986 267 1HB LYS 33 HB2 LYS 33 -0.835 9.543 0.628 268 2HB LYS 33 HB1 LYS 33 -1.398 9.462 2.293 269 1HG LYS 33 HG2 LYS 33 0.343 7.708 2.730 270 2HG LYS 33 HG1 LYS 33 0.968 7.998 1.106 271 1HD LYS 33 HD2 LYS 33 1.254 10.413 1.711 272 2HD LYS 33 HD1 LYS 33 0.782 10.012 3.361 273 1HE LYS 33 HE2 LYS 33 2.976 8.424 2.089 274 2HE LYS 33 HE1 LYS 33 3.342 10.052 2.659 275 1HZ LYS 33 HZ1 LYS 33 3.071 7.712 4.165 276 2HZ LYS 33 HZ2 LYS 33 1.812 8.761 4.610 277 3HZ LYS 33 HZ3 LYS 33 3.427 9.277 4.711 278 H ASN 34 HN ASN 34 -2.724 8.820 -0.916 279 HA ASN 34 HA ASN 34 -5.100 9.925 0.100 280 1HB ASN 34 HB2 ASN 34 -4.303 9.195 -2.723 281 2HB ASN 34 HB1 ASN 34 -5.708 10.168 -2.304 282 1HD2 ASN 34 HD21 ASN 34 -2.915 10.774 -3.642 283 2HD2 ASN 34 HD22 ASN 34 -2.399 12.168 -2.821 284 H ILE 35 HN ILE 35 -4.503 6.889 -1.654 285 HA ILE 35 HA ILE 35 -7.242 6.097 -1.725 286 HB ILE 35 HB ILE 35 -4.687 4.515 -1.985 287 1HG1 ILE 35 HG12 ILE 35 -6.721 5.387 -4.056 288 2HG1 ILE 35 HG11 ILE 35 -5.221 6.252 -3.733 289 1HG2 ILE 35 HG21 ILE 35 -6.468 3.026 -1.244 290 2HG2 ILE 35 HG22 ILE 35 -6.166 2.754 -2.960 291 3HG2 ILE 35 HG23 ILE 35 -7.567 3.696 -2.450 292 1HD1 ILE 35 HD11 ILE 35 -3.939 4.682 -4.784 293 2HD1 ILE 35 HD12 ILE 35 -5.453 4.271 -5.590 294 3HD1 ILE 35 HD13 ILE 35 -4.922 3.343 -4.189 295 H LEU 36 HN LEU 36 -4.506 5.094 0.349 296 HA LEU 36 HA LEU 36 -6.002 3.385 2.023 297 1HB LEU 36 HB2 LEU 36 -3.492 4.981 2.598 298 2HB LEU 36 HB1 LEU 36 -4.145 3.733 3.660 299 HG LEU 36 HG LEU 36 -3.310 3.309 0.776 300 1HD1 LEU 36 HD11 LEU 36 -1.483 3.720 2.529 301 2HD1 LEU 36 HD12 LEU 36 -1.378 2.199 1.641 302 3HD1 LEU 36 HD13 LEU 36 -2.016 2.219 3.285 303 1HD2 LEU 36 HD21 LEU 36 -4.701 1.661 2.838 304 2HD2 LEU 36 HD22 LEU 36 -3.491 0.847 1.846 305 3HD2 LEU 36 HD23 LEU 36 -4.871 1.637 1.083 306 H ALA 37 HN ALA 37 -5.243 6.831 2.221 307 HA ALA 37 HA ALA 37 -6.525 7.254 4.732 308 1HB ALA 37 HB1 ALA 37 -6.073 9.301 2.549 309 2HB ALA 37 HB2 ALA 37 -4.818 8.795 3.682 310 3HB ALA 37 HB3 ALA 37 -6.270 9.600 4.276 311 H ALA 38 HN ALA 38 -7.639 6.602 1.611 312 HA ALA 38 HA ALA 38 -10.130 8.069 1.835 313 1HB ALA 38 HB1 ALA 38 -8.668 6.868 -0.258 314 2HB ALA 38 HB2 ALA 38 -10.183 7.757 -0.382 315 3HB ALA 38 HB3 ALA 38 -10.202 6.007 -0.168 316 H VAL 39 HN VAL 39 -8.909 4.950 2.675 317 HA VAL 39 HA VAL 39 -11.561 3.765 2.916 318 HB VAL 39 HB VAL 39 -9.344 2.580 2.196 319 1HG1 VAL 39 HG11 VAL 39 -7.863 1.953 3.827 320 2HG1 VAL 39 HG12 VAL 39 -9.114 1.838 5.066 321 3HG1 VAL 39 HG13 VAL 39 -8.464 3.412 4.612 322 1HG2 VAL 39 HG21 VAL 39 -11.323 1.436 4.190 323 2HG2 VAL 39 HG22 VAL 39 -10.209 0.460 3.232 324 3HG2 VAL 39 HG23 VAL 39 -11.459 1.411 2.432 325 H GLU 40 HN GLU 40 -9.525 5.692 4.804 326 HA GLU 40 HA GLU 40 -9.314 5.986 7.113 327 1HB GLU 40 HB2 GLU 40 -11.330 7.266 6.350 328 2HB GLU 40 HB1 GLU 40 -12.326 5.887 6.818 329 1HG GLU 40 HG2 GLU 40 -11.395 6.063 9.133 330 2HG GLU 40 HG1 GLU 40 -10.541 7.523 8.637 331 H ALA 41 HN ALA 41 -12.311 4.671 7.976 332 HA ALA 41 HA ALA 41 -12.976 2.684 8.952 333 1HB ALA 41 HB1 ALA 41 -11.324 1.665 7.224 334 2HB ALA 41 HB2 ALA 41 -11.785 0.704 8.629 335 3HB ALA 41 HB3 ALA 41 -10.228 1.529 8.599 336 H THR 42 HN THR 42 -12.501 1.412 10.945 337 HA THR 42 HA THR 42 -11.489 3.168 12.989 338 HB THR 42 HB THR 42 -12.178 1.381 14.531 339 HG1 THR 42 HG1 THR 42 -12.536 -0.026 12.101 340 1HG2 THR 42 HG21 THR 42 -14.571 1.109 13.136 341 2HG2 THR 42 HG22 THR 42 -13.886 2.607 12.505 342 3HG2 THR 42 HG23 THR 42 -14.156 2.422 14.239 343 H VAL 43 HN VAL 43 -10.022 0.972 10.928 344 HA VAL 43 HA VAL 43 -7.812 0.504 12.827 345 HB VAL 43 HB VAL 43 -7.293 -1.377 11.111 346 1HG1 VAL 43 HG11 VAL 43 -8.836 -2.903 12.360 347 2HG1 VAL 43 HG12 VAL 43 -9.639 -1.483 13.032 348 3HG1 VAL 43 HG13 VAL 43 -7.951 -1.810 13.425 349 1HG2 VAL 43 HG21 VAL 43 -10.253 -0.907 10.643 350 2HG2 VAL 43 HG22 VAL 43 -9.316 -2.265 10.017 351 3HG2 VAL 43 HG23 VAL 43 -8.975 -0.627 9.459 352 HA PRO 44 HA PRO 44 -6.379 3.471 9.521 353 1HB PRO 44 HB2 PRO 44 -4.353 4.297 11.385 354 2HB PRO 44 HB1 PRO 44 -5.725 5.230 10.776 355 1HG PRO 44 HG2 PRO 44 -5.365 4.012 13.349 356 2HG PRO 44 HG1 PRO 44 -6.659 5.080 12.795 357 1HD PRO 44 HD2 PRO 44 -6.881 2.330 13.355 358 2HD PRO 44 HD1 PRO 44 -8.092 3.334 12.535 359 H ILE 45 HN ILE 45 -4.456 3.380 8.291 360 HA ILE 45 HA ILE 45 -2.837 0.976 8.800 361 HB ILE 45 HB ILE 45 -3.136 2.616 6.276 362 1HG1 ILE 45 HG12 ILE 45 -4.220 0.214 5.705 363 2HG1 ILE 45 HG11 ILE 45 -4.595 0.287 7.427 364 1HG2 ILE 45 HG21 ILE 45 -1.312 1.487 5.580 365 2HG2 ILE 45 HG22 ILE 45 -2.209 -0.018 5.786 366 3HG2 ILE 45 HG23 ILE 45 -1.229 0.612 7.111 367 1HD1 ILE 45 HD11 ILE 45 -6.453 1.359 6.504 368 2HD1 ILE 45 HD12 ILE 45 -5.506 2.106 5.217 369 3HD1 ILE 45 HD13 ILE 45 -5.398 2.725 6.864 370 H SER 46 HN SER 46 -0.598 1.051 8.883 371 HA SER 46 HA SER 46 0.552 3.748 9.218 372 1HB SER 46 HB2 SER 46 0.752 1.938 11.040 373 2HB SER 46 HB1 SER 46 1.884 1.141 9.953 374 HG SER 46 HG SER 46 2.457 3.007 11.627 375 H LEU 47 HN LEU 47 1.699 4.533 7.574 376 HA LEU 47 HA LEU 47 2.679 2.663 5.523 377 1HB LEU 47 HB2 LEU 47 1.223 4.905 5.205 378 2HB LEU 47 HB1 LEU 47 2.843 5.595 5.104 379 HG LEU 47 HG LEU 47 1.689 3.372 3.401 380 1HD1 LEU 47 HD11 LEU 47 2.261 4.971 1.571 381 2HD1 LEU 47 HD12 LEU 47 2.759 6.144 2.792 382 3HD1 LEU 47 HD13 LEU 47 1.074 5.629 2.699 383 1HD2 LEU 47 HD21 LEU 47 4.036 3.669 2.268 384 2HD2 LEU 47 HD22 LEU 47 3.902 2.646 3.698 385 3HD2 LEU 47 HD23 LEU 47 4.523 4.290 3.845 386 H GLN 48 HN GLN 48 4.776 2.245 5.297 387 HA GLN 48 HA GLN 48 6.736 4.144 6.407 388 1HB GLN 48 HB2 GLN 48 6.396 1.241 6.941 389 2HB GLN 48 HB1 GLN 48 8.042 1.839 6.766 390 1HG GLN 48 HG2 GLN 48 7.521 3.605 8.462 391 2HG GLN 48 HG1 GLN 48 5.935 2.867 8.684 392 1HE2 GLN 48 HE21 GLN 48 7.691 2.997 10.888 393 2HE2 GLN 48 HE22 GLN 48 8.244 1.434 11.253 394 H VAL 49 HN VAL 49 8.171 4.767 4.930 395 HA VAL 49 HA VAL 49 8.358 3.231 2.434 396 HB VAL 49 HB VAL 49 9.433 6.004 2.943 397 1HG1 VAL 49 HG11 VAL 49 9.106 6.049 0.394 398 2HG1 VAL 49 HG12 VAL 49 8.925 4.298 0.505 399 3HG1 VAL 49 HG13 VAL 49 10.433 5.062 1.011 400 1HG2 VAL 49 HG21 VAL 49 7.215 6.356 1.392 401 2HG2 VAL 49 HG22 VAL 49 7.220 6.550 3.145 402 3HG2 VAL 49 HG23 VAL 49 6.680 5.032 2.428 403 H ILE 50 HN ILE 50 10.190 2.268 1.800 404 HA ILE 50 HA ILE 50 12.574 2.655 3.497 405 HB ILE 50 HB ILE 50 11.824 0.185 1.914 406 1HG1 ILE 50 HG12 ILE 50 11.474 0.901 4.835 407 2HG1 ILE 50 HG11 ILE 50 10.217 0.439 3.691 408 1HG2 ILE 50 HG21 ILE 50 14.267 1.053 2.966 409 2HG2 ILE 50 HG22 ILE 50 13.864 -0.593 2.477 410 3HG2 ILE 50 HG23 ILE 50 13.655 -0.096 4.157 411 1HD1 ILE 50 HD11 ILE 50 11.555 -1.766 3.429 412 2HD1 ILE 50 HD12 ILE 50 10.605 -1.550 4.896 413 3HD1 ILE 50 HD13 ILE 50 12.350 -1.293 4.929 414 H ASN 51 HN ASN 51 14.280 3.513 2.492 415 HA ASN 51 HA ASN 51 14.139 3.989 -0.358 416 1HB ASN 51 HB2 ASN 51 14.974 5.645 1.395 417 2HB ASN 51 HB1 ASN 51 16.437 4.666 1.482 418 1HD2 ASN 51 HD21 ASN 51 16.799 7.251 0.608 419 2HD2 ASN 51 HD22 ASN 51 17.069 7.286 -1.067 420 H VAL 52 HN VAL 52 14.616 2.265 -1.621 421 HA VAL 52 HA VAL 52 16.283 0.113 -0.911 422 HB VAL 52 HB VAL 52 16.209 -0.517 -3.266 423 1HG1 VAL 52 HG11 VAL 52 13.553 0.731 -2.538 424 2HG1 VAL 52 HG12 VAL 52 14.176 -0.712 -1.739 425 3HG1 VAL 52 HG13 VAL 52 13.841 -0.740 -3.469 426 1HG2 VAL 52 HG21 VAL 52 16.335 2.161 -3.807 427 2HG2 VAL 52 HG22 VAL 52 14.622 1.850 -4.069 428 3HG2 VAL 52 HG23 VAL 52 15.831 0.945 -4.979 429 H ALA 53 HN ALA 53 17.031 3.259 -2.128 430 HA ALA 53 HA ALA 53 19.592 2.648 -3.225 431 1HB ALA 53 HB1 ALA 53 19.025 5.351 -2.112 432 2HB ALA 53 HB2 ALA 53 18.001 4.786 -3.432 433 3HB ALA 53 HB3 ALA 53 19.748 4.897 -3.655 434 H ASP 54 HN ASP 54 18.362 3.282 -0.033 435 HA ASP 54 HA ASP 54 21.060 3.610 1.029 436 1HB ASP 54 HB2 ASP 54 18.346 3.832 2.340 437 2HB ASP 54 HB1 ASP 54 19.881 4.078 3.172 438 H GLN 55 HN GLN 55 18.616 1.223 0.620 439 HA GLN 55 HA GLN 55 20.298 -0.748 1.913 440 1HB GLN 55 HB2 GLN 55 18.438 -1.526 3.414 441 2HB GLN 55 HB1 GLN 55 19.140 0.033 3.846 442 1HG GLN 55 HG2 GLN 55 17.302 1.219 2.785 443 2HG GLN 55 HG1 GLN 55 16.609 -0.297 2.215 444 1HE2 GLN 55 HE21 GLN 55 15.546 1.790 4.201 445 2HE2 GLN 55 HE22 GLN 55 15.163 0.883 5.583 446 HA PRO 56 HA PRO 56 17.789 -2.352 -1.640 447 1HB PRO 56 HB2 PRO 56 20.251 -3.300 -2.790 448 2HB PRO 56 HB1 PRO 56 19.174 -2.036 -3.403 449 1HG PRO 56 HG2 PRO 56 21.723 -1.642 -2.411 450 2HG PRO 56 HG1 PRO 56 20.483 -0.394 -2.596 451 1HD PRO 56 HD2 PRO 56 21.390 -1.793 -0.128 452 2HD PRO 56 HD1 PRO 56 20.721 -0.157 -0.321 453 H GLN 57 HN GLN 57 19.818 -3.587 0.744 454 HA GLN 57 HA GLN 57 20.070 -6.291 -0.042 455 1HB GLN 57 HB2 GLN 57 21.429 -5.215 1.729 456 2HB GLN 57 HB1 GLN 57 20.000 -5.170 2.762 457 1HG GLN 57 HG2 GLN 57 19.809 -7.652 2.529 458 2HG GLN 57 HG1 GLN 57 21.326 -7.648 1.628 459 1HE2 GLN 57 HE21 GLN 57 21.560 -9.144 3.823 460 2HE2 GLN 57 HE22 GLN 57 22.331 -8.327 5.096 461 H LEU 58 HN LEU 58 17.561 -4.650 1.927 462 HA LEU 58 HA LEU 58 16.234 -7.134 2.462 463 1HB LEU 58 HB2 LEU 58 14.278 -5.420 2.992 464 2HB LEU 58 HB1 LEU 58 15.624 -5.658 4.101 465 HG LEU 58 HG LEU 58 16.772 -3.705 3.142 466 1HD1 LEU 58 HD11 LEU 58 15.105 -2.294 1.621 467 2HD1 LEU 58 HD12 LEU 58 14.469 -3.897 1.242 468 3HD1 LEU 58 HD13 LEU 58 16.155 -3.518 0.917 469 1HD2 LEU 58 HD21 LEU 58 15.378 -3.178 5.001 470 2HD2 LEU 58 HD22 LEU 58 13.907 -3.354 4.043 471 3HD2 LEU 58 HD23 LEU 58 14.976 -1.977 3.774 472 H VAL 59 HN VAL 59 16.292 -4.882 -0.135 473 HA VAL 59 HA VAL 59 13.760 -5.391 -1.296 474 HB VAL 59 HB VAL 59 16.408 -4.512 -2.457 475 1HG1 VAL 59 HG11 VAL 59 13.972 -5.370 -3.812 476 2HG1 VAL 59 HG12 VAL 59 15.583 -5.131 -4.462 477 3HG1 VAL 59 HG13 VAL 59 14.493 -3.758 -4.272 478 1HG2 VAL 59 HG21 VAL 59 15.624 -2.363 -2.198 479 2HG2 VAL 59 HG22 VAL 59 14.754 -3.131 -0.869 480 3HG2 VAL 59 HG23 VAL 59 13.940 -2.846 -2.408 481 H GLU 60 HN GLU 60 16.955 -6.917 -1.639 482 HA GLU 60 HA GLU 60 16.062 -8.914 -3.511 483 1HB GLU 60 HB2 GLU 60 18.491 -8.808 -1.700 484 2HB GLU 60 HB1 GLU 60 18.213 -10.046 -2.923 485 1HG GLU 60 HG2 GLU 60 18.095 -8.271 -4.660 486 2HG GLU 60 HG1 GLU 60 18.461 -7.067 -3.425 487 H TYR 61 HN TYR 61 16.381 -8.701 0.000 488 HA TYR 61 HA TYR 61 15.968 -11.382 0.685 489 1HB TYR 61 HB2 TYR 61 16.614 -9.647 2.316 490 2HB TYR 61 HB1 TYR 61 15.018 -8.914 2.156 491 HD1 TYR 61 HD1 TYR 61 13.304 -9.573 3.589 492 HD2 TYR 61 HD2 TYR 61 16.629 -12.215 2.935 493 HE1 TYR 61 HE1 TYR 61 12.400 -11.135 5.292 494 HE2 TYR 61 HE2 TYR 61 15.725 -13.775 4.641 495 HH TYR 61 HH TYR 61 13.439 -14.296 5.624 496 H TYR 62 HN TYR 62 13.664 -8.794 0.001 497 HA TYR 62 HA TYR 62 11.366 -10.519 0.395 498 1HB TYR 62 HB2 TYR 62 11.704 -7.682 -0.605 499 2HB TYR 62 HB1 TYR 62 10.145 -8.483 -0.474 500 HD1 TYR 62 HD1 TYR 62 12.280 -6.298 1.156 501 HD2 TYR 62 HD2 TYR 62 9.876 -9.772 1.932 502 HE1 TYR 62 HE1 TYR 62 12.175 -5.689 3.559 503 HE2 TYR 62 HE2 TYR 62 9.772 -9.165 4.333 504 HH TYR 62 HH TYR 62 10.610 -6.141 5.505 505 H ARG 63 HN ARG 63 13.628 -10.684 -1.800 506 HA ARG 63 HA ARG 63 13.785 -11.342 -3.996 507 1HB ARG 63 HB2 ARG 63 10.885 -12.063 -3.513 508 2HB ARG 63 HB1 ARG 63 11.793 -12.511 -4.958 509 1HG ARG 63 HG2 ARG 63 13.494 -13.595 -3.419 510 2HG ARG 63 HG1 ARG 63 12.344 -13.348 -2.103 511 1HD ARG 63 HD2 ARG 63 11.911 -14.960 -4.623 512 2HD ARG 63 HD1 ARG 63 12.011 -15.577 -2.976 513 HE ARG 63 HE ARG 63 9.864 -13.679 -3.664 514 1HH1 ARG 63 HH11 ARG 63 9.539 -16.571 -4.681 515 2HH1 ARG 63 HH12 ARG 63 8.582 -17.258 -3.411 516 1HH2 ARG 63 HH21 ARG 63 9.232 -14.687 -1.176 517 2HH2 ARG 63 HH22 ARG 63 8.407 -16.190 -1.425 518 H LEU 64 HN LEU 64 12.188 -8.816 -2.878 519 HA LEU 64 HA LEU 64 10.695 -7.754 -5.022 520 1HB LEU 64 HB2 LEU 64 10.817 -7.041 -2.564 521 2HB LEU 64 HB1 LEU 64 12.303 -6.217 -2.971 522 HG LEU 64 HG LEU 64 10.530 -4.608 -3.062 523 1HD1 LEU 64 HD11 LEU 64 10.857 -3.718 -5.194 524 2HD1 LEU 64 HD12 LEU 64 10.870 -5.302 -5.961 525 3HD1 LEU 64 HD13 LEU 64 12.257 -4.772 -5.009 526 1HD2 LEU 64 HD21 LEU 64 9.015 -6.842 -3.920 527 2HD2 LEU 64 HD22 LEU 64 8.920 -5.636 -5.203 528 3HD2 LEU 64 HD23 LEU 64 8.435 -5.216 -3.561 529 H VAL 65 HN VAL 65 11.403 -6.857 -6.948 530 HA VAL 65 HA VAL 65 14.256 -6.115 -7.133 531 HB VAL 65 HB VAL 65 12.961 -7.557 -9.414 532 1HG1 VAL 65 HG11 VAL 65 15.292 -8.204 -9.838 533 2HG1 VAL 65 HG12 VAL 65 15.796 -7.414 -8.343 534 3HG1 VAL 65 HG13 VAL 65 15.161 -6.453 -9.680 535 1HG2 VAL 65 HG21 VAL 65 14.152 -9.625 -8.329 536 2HG2 VAL 65 HG22 VAL 65 12.535 -9.182 -7.782 537 3HG2 VAL 65 HG23 VAL 65 13.945 -8.730 -6.823 538 H VAL 66 HN VAL 66 11.036 -5.284 -7.763 539 HA VAL 66 HA VAL 66 11.909 -3.327 -9.790 540 HB VAL 66 HB VAL 66 9.490 -3.283 -10.435 541 1HG1 VAL 66 HG11 VAL 66 10.940 -5.934 -10.617 542 2HG1 VAL 66 HG12 VAL 66 11.121 -4.576 -11.727 543 3HG1 VAL 66 HG13 VAL 66 9.592 -5.448 -11.646 544 1HG2 VAL 66 HG21 VAL 66 9.204 -5.895 -9.002 545 2HG2 VAL 66 HG22 VAL 66 7.950 -4.780 -9.551 546 3HG2 VAL 66 HG23 VAL 66 8.915 -4.391 -8.124 547 H THR 67 HN THR 67 11.388 -1.212 -9.530 548 HA THR 67 HA THR 67 9.843 -0.449 -7.156 549 HB THR 67 HB THR 67 11.513 1.376 -6.730 550 HG1 THR 67 HG1 THR 67 13.657 0.601 -7.700 551 1HG2 THR 67 HG21 THR 67 11.845 -1.506 -6.290 552 2HG2 THR 67 HG22 THR 67 11.991 -0.168 -5.148 553 3HG2 THR 67 HG23 THR 67 13.358 -0.603 -6.173 554 HA PRO 68 HA PRO 68 9.367 1.650 -6.255 555 1HB PRO 68 HB2 PRO 68 6.656 2.577 -6.498 556 2HB PRO 68 HB1 PRO 68 8.078 3.483 -5.964 557 1HG PRO 68 HG2 PRO 68 6.668 3.848 -8.334 558 2HG PRO 68 HG1 PRO 68 8.255 4.518 -7.943 559 1HD PRO 68 HD2 PRO 68 7.560 2.280 -9.736 560 2HD PRO 68 HD1 PRO 68 9.028 3.278 -9.694 561 H ALA 69 HN ALA 69 8.139 0.461 -4.724 562 HA ALA 69 HA ALA 69 6.118 -1.404 -5.734 563 1HB ALA 69 HB1 ALA 69 7.390 -3.294 -4.588 564 2HB ALA 69 HB2 ALA 69 8.782 -2.211 -4.549 565 3HB ALA 69 HB3 ALA 69 8.090 -2.700 -6.095 566 H LEU 70 HN LEU 70 4.852 -2.316 -4.053 567 HA LEU 70 HA LEU 70 5.249 -1.115 -1.391 568 1HB LEU 70 HB2 LEU 70 3.393 -0.099 -2.843 569 2HB LEU 70 HB1 LEU 70 2.545 -1.622 -2.603 570 HG LEU 70 HG LEU 70 3.624 0.000 -0.302 571 1HD1 LEU 70 HD11 LEU 70 1.991 1.507 -0.627 572 2HD1 LEU 70 HD12 LEU 70 0.804 0.218 -0.439 573 3HD1 LEU 70 HD13 LEU 70 1.419 0.624 -2.041 574 1HD2 LEU 70 HD21 LEU 70 1.410 -1.377 0.531 575 2HD2 LEU 70 HD22 LEU 70 3.065 -1.957 0.707 576 3HD2 LEU 70 HD23 LEU 70 2.083 -2.489 -0.658 577 H VAL 71 HN VAL 71 5.165 -2.516 0.297 578 HA VAL 71 HA VAL 71 4.038 -5.192 -0.242 579 HB VAL 71 HB VAL 71 6.576 -4.637 1.303 580 1HG1 VAL 71 HG11 VAL 71 5.291 -7.238 0.417 581 2HG1 VAL 71 HG12 VAL 71 5.238 -6.599 2.060 582 3HG1 VAL 71 HG13 VAL 71 6.779 -7.075 1.347 583 1HG2 VAL 71 HG21 VAL 71 6.045 -5.022 -1.540 584 2HG2 VAL 71 HG22 VAL 71 7.099 -6.285 -0.906 585 3HG2 VAL 71 HG23 VAL 71 7.557 -4.590 -0.740 586 H LYS 72 HN LYS 72 2.620 -5.875 1.170 587 HA LYS 72 HA LYS 72 2.206 -4.394 3.673 588 1HB LYS 72 HB2 LYS 72 0.283 -4.843 2.148 589 2HB LYS 72 HB1 LYS 72 0.530 -6.571 2.397 590 1HG LYS 72 HG2 LYS 72 0.437 -5.814 4.966 591 2HG LYS 72 HG1 LYS 72 -0.541 -4.517 4.275 592 1HD LYS 72 HD2 LYS 72 -1.699 -6.518 2.984 593 2HD LYS 72 HD1 LYS 72 -1.064 -7.464 4.331 594 1HE LYS 72 HE2 LYS 72 -2.683 -4.942 4.730 595 2HE LYS 72 HE1 LYS 72 -3.413 -6.545 4.645 596 1HZ LYS 72 HZ1 LYS 72 -3.045 -6.417 6.864 597 2HZ LYS 72 HZ2 LYS 72 -1.702 -5.388 6.711 598 3HZ LYS 72 HZ3 LYS 72 -1.542 -7.050 6.401 599 H ILE 73 HN ILE 73 2.795 -5.229 5.617 600 HA ILE 73 HA ILE 73 3.799 -7.992 5.631 601 HB ILE 73 HB ILE 73 4.550 -7.086 8.040 602 1HG1 ILE 73 HG12 ILE 73 3.390 -4.839 7.257 603 2HG1 ILE 73 HG11 ILE 73 4.919 -4.795 8.134 604 1HG2 ILE 73 HG21 ILE 73 6.694 -6.360 6.838 605 2HG2 ILE 73 HG22 ILE 73 5.843 -6.714 5.334 606 3HG2 ILE 73 HG23 ILE 73 6.128 -7.998 6.512 607 1HD1 ILE 73 HD11 ILE 73 4.715 -3.406 5.935 608 2HD1 ILE 73 HD12 ILE 73 4.902 -4.963 5.128 609 3HD1 ILE 73 HD13 ILE 73 6.171 -4.365 6.197 610 H GLY 74 HN GLY 74 1.149 -6.091 6.780 611 1HA GLY 74 HA2 GLY 74 -0.566 -7.975 7.472 612 2HA GLY 74 HA1 GLY 74 0.499 -8.039 8.872 613 HA PRO 75 HA PRO 75 -0.895 -8.342 10.532 614 1HB PRO 75 HB2 PRO 75 -3.748 -8.358 10.863 615 2HB PRO 75 HB1 PRO 75 -2.502 -8.193 12.106 616 1HG PRO 75 HG2 PRO 75 -4.256 -6.201 11.095 617 2HG PRO 75 HG1 PRO 75 -3.006 -6.040 12.333 618 1HD PRO 75 HD2 PRO 75 -2.972 -5.006 9.656 619 2HD PRO 75 HD1 PRO 75 -1.716 -4.855 10.897 620 H GLY 76 HN GLY 76 -1.703 -10.456 9.937 621 1HA GLY 76 HA2 GLY 76 -3.011 -11.908 8.549 622 2HA GLY 76 HA1 GLY 76 -3.231 -10.575 7.420 623 H SER 77 HN SER 77 -2.537 -12.098 5.766 624 HA SER 77 HA SER 77 0.150 -13.125 5.810 625 1HB SER 77 HB2 SER 77 -1.295 -14.469 4.580 626 2HB SER 77 HB1 SER 77 -2.070 -13.096 3.795 627 HG SER 77 HG SER 77 0.127 -14.513 3.068 628 H ARG 78 HN ARG 78 1.738 -12.660 4.166 629 HA ARG 78 HA ARG 78 2.016 -9.778 3.747 630 1HB ARG 78 HB2 ARG 78 3.870 -11.221 4.697 631 2HB ARG 78 HB1 ARG 78 4.009 -11.962 3.105 632 1HG ARG 78 HG2 ARG 78 4.354 -9.661 2.142 633 2HG ARG 78 HG1 ARG 78 4.400 -9.037 3.789 634 1HD ARG 78 HD2 ARG 78 6.676 -9.398 3.150 635 2HD ARG 78 HD1 ARG 78 6.255 -10.704 4.255 636 HE ARG 78 HE ARG 78 5.786 -11.421 1.516 637 1HH1 ARG 78 HH21 ARG 78 8.136 -11.122 4.032 638 2HH1 ARG 78 HH22 ARG 78 9.240 -12.254 3.326 639 1HH2 ARG 78 HH11 ARG 78 7.241 -12.874 0.559 640 2HH2 ARG 78 HH12 ARG 78 8.732 -13.249 1.357 641 H GLN 79 HN GLN 79 2.090 -8.795 1.770 642 HA GLN 79 HA GLN 79 1.972 -10.465 -0.648 643 1HB GLN 79 HB2 GLN 79 0.036 -8.200 -0.085 644 2HB GLN 79 HB1 GLN 79 0.114 -9.163 -1.559 645 1HG GLN 79 HG2 GLN 79 -0.354 -11.206 -0.184 646 2HG GLN 79 HG1 GLN 79 -0.580 -10.160 1.216 647 1HE2 GLN 79 HE21 GLN 79 -2.259 -11.652 -1.311 648 2HE2 GLN 79 HE22 GLN 79 -3.645 -10.673 -1.299 649 H VAL 80 HN VAL 80 2.657 -9.360 -2.562 650 HA VAL 80 HA VAL 80 4.130 -6.858 -1.991 651 HB VAL 80 HB VAL 80 4.872 -9.004 -3.987 652 1HG1 VAL 80 HG11 VAL 80 6.545 -7.623 -4.647 653 2HG1 VAL 80 HG12 VAL 80 6.881 -7.100 -2.997 654 3HG1 VAL 80 HG13 VAL 80 5.580 -6.343 -3.913 655 1HG2 VAL 80 HG21 VAL 80 6.585 -9.673 -2.405 656 2HG2 VAL 80 HG22 VAL 80 5.029 -9.717 -1.575 657 3HG2 VAL 80 HG23 VAL 80 6.135 -8.371 -1.304 658 H LEU 81 HN LEU 81 3.576 -5.141 -3.154 659 HA LEU 81 HA LEU 81 2.115 -5.558 -5.698 660 1HB LEU 81 HB2 LEU 81 1.899 -3.059 -4.056 661 2HB LEU 81 HB1 LEU 81 0.772 -3.701 -5.246 662 HG LEU 81 HG LEU 81 1.343 -4.924 -2.533 663 1HD1 LEU 81 HD11 LEU 81 -1.262 -4.295 -2.476 664 2HD1 LEU 81 HD12 LEU 81 -0.711 -3.045 -3.591 665 3HD1 LEU 81 HD13 LEU 81 -0.015 -3.152 -1.975 666 1HD2 LEU 81 HD21 LEU 81 0.745 -6.546 -4.359 667 2HD2 LEU 81 HD22 LEU 81 -0.754 -5.649 -4.592 668 3HD2 LEU 81 HD23 LEU 81 -0.445 -6.470 -3.063 669 H SER 82 HN SER 82 3.171 -4.780 -7.469 670 HA SER 82 HA SER 82 4.780 -2.383 -7.234 671 1HB SER 82 HB2 SER 82 6.413 -4.030 -6.529 672 2HB SER 82 HB1 SER 82 6.090 -5.010 -7.955 673 HG SER 82 HG SER 82 7.281 -2.454 -7.755 674 H GLY 83 HN GLY 83 5.827 -1.821 -9.316 675 1HA GLY 83 HA2 GLY 83 5.847 -1.725 -11.664 676 2HA GLY 83 HA1 GLY 83 4.624 -2.986 -11.707 677 H ILE 84 HN ILE 84 4.852 0.296 -10.358 678 HA ILE 84 HA ILE 84 3.294 1.996 -10.259 679 HB ILE 84 HB ILE 84 2.678 2.835 -12.434 680 1HG1 ILE 84 HG12 ILE 84 3.584 0.189 -13.603 681 2HG1 ILE 84 HG11 ILE 84 1.888 0.550 -13.282 682 1HG2 ILE 84 HG21 ILE 84 4.870 2.892 -13.453 683 2HG2 ILE 84 HG22 ILE 84 5.323 1.382 -12.661 684 3HG2 ILE 84 HG23 ILE 84 5.087 2.843 -11.703 685 1HD1 ILE 84 HD11 ILE 84 2.343 2.725 -14.648 686 2HD1 ILE 84 HD12 ILE 84 2.141 1.207 -15.524 687 3HD1 ILE 84 HD13 ILE 84 3.757 1.857 -15.246 688 H ASP 85 HN ASP 85 2.229 -1.061 -10.445 689 HA ASP 85 HA ASP 85 -0.596 -0.359 -10.882 690 1HB ASP 85 HB2 ASP 85 -1.001 -2.768 -10.934 691 2HB ASP 85 HB1 ASP 85 0.280 -2.348 -12.071 692 H LEU 86 HN LEU 86 1.478 -0.169 -8.450 693 HA LEU 86 HA LEU 86 0.575 -1.601 -6.285 694 1HB LEU 86 HB2 LEU 86 1.255 1.331 -6.104 695 2HB LEU 86 HB1 LEU 86 1.549 0.062 -4.917 696 HG LEU 86 HG LEU 86 2.902 -0.978 -7.009 697 1HD1 LEU 86 HD11 LEU 86 2.245 1.473 -8.038 698 2HD1 LEU 86 HD12 LEU 86 3.661 0.544 -8.526 699 3HD1 LEU 86 HD13 LEU 86 3.815 1.816 -7.313 700 1HD2 LEU 86 HD21 LEU 86 3.677 0.884 -4.793 701 2HD2 LEU 86 HD22 LEU 86 4.905 0.406 -5.965 702 3HD2 LEU 86 HD23 LEU 86 4.072 -0.819 -5.011 703 H THR 87 HN THR 87 -0.712 1.483 -7.520 704 HA THR 87 HA THR 87 -2.733 1.723 -5.542 705 HB THR 87 HB THR 87 -3.683 3.447 -7.022 706 HG1 THR 87 HG1 THR 87 -1.668 2.677 -8.853 707 1HG2 THR 87 HG21 THR 87 -0.650 3.510 -6.952 708 2HG2 THR 87 HG22 THR 87 -1.711 4.006 -5.634 709 3HG2 THR 87 HG23 THR 87 -1.708 4.911 -7.149 710 H ASP 88 HN ASP 88 -2.684 0.264 -8.769 711 HA ASP 88 HA ASP 88 -5.494 -0.252 -8.849 712 1HB ASP 88 HB2 ASP 88 -3.183 -1.536 -10.329 713 2HB ASP 88 HB1 ASP 88 -4.883 -1.799 -10.694 714 H GLN 89 HN GLN 89 -2.622 -2.178 -8.081 715 HA GLN 89 HA GLN 89 -4.046 -4.544 -7.371 716 1HB GLN 89 HB2 GLN 89 -1.496 -4.094 -7.958 717 2HB GLN 89 HB1 GLN 89 -1.367 -3.914 -6.208 718 1HG GLN 89 HG2 GLN 89 -2.414 -6.129 -5.904 719 2HG GLN 89 HG1 GLN 89 -2.543 -6.305 -7.652 720 1HE2 GLN 89 HE21 GLN 89 0.229 -4.698 -7.587 721 2HE2 GLN 89 HE22 GLN 89 1.345 -5.958 -7.360 722 H LEU 90 HN LEU 90 -2.574 -1.895 -5.468 723 HA LEU 90 HA LEU 90 -3.201 -2.842 -2.912 724 1HB LEU 90 HB2 LEU 90 -1.738 -0.916 -3.281 725 2HB LEU 90 HB1 LEU 90 -3.103 0.017 -3.898 726 HG LEU 90 HG LEU 90 -4.254 -0.320 -1.695 727 1HD1 LEU 90 HD11 LEU 90 -2.571 -0.939 0.185 728 2HD1 LEU 90 HD12 LEU 90 -1.628 -1.677 -1.110 729 3HD1 LEU 90 HD13 LEU 90 -3.263 -2.247 -0.774 730 1HD2 LEU 90 HD21 LEU 90 -1.514 0.973 -1.572 731 2HD2 LEU 90 HD22 LEU 90 -2.862 1.316 -0.488 732 3HD2 LEU 90 HD23 LEU 90 -2.976 1.734 -2.198 733 H ALA 91 HN ALA 91 -5.091 -0.778 -5.100 734 HA ALA 91 HA ALA 91 -7.312 -0.371 -3.436 735 1HB ALA 91 HB1 ALA 91 -7.181 -0.597 -6.455 736 2HB ALA 91 HB2 ALA 91 -7.031 0.883 -5.508 737 3HB ALA 91 HB3 ALA 91 -8.566 0.017 -5.552 738 H ASN 92 HN ASN 92 -6.386 -3.047 -5.505 739 HA ASN 92 HA ASN 92 -8.891 -4.458 -5.172 740 1HB ASN 92 HB2 ASN 92 -6.237 -5.187 -6.410 741 2HB ASN 92 HB1 ASN 92 -7.597 -6.294 -6.326 742 1HD2 ASN 92 HD21 ASN 92 -6.783 -5.664 -8.869 743 2HD2 ASN 92 HD22 ASN 92 -7.861 -4.575 -9.600 744 H GLN 93 HN GLN 93 -5.611 -4.596 -3.881 745 HA GLN 93 HA GLN 93 -6.038 -7.006 -2.393 746 1HB GLN 93 HB2 GLN 93 -3.868 -4.908 -2.278 747 2HB GLN 93 HB1 GLN 93 -3.845 -6.411 -1.359 748 1HG GLN 93 HG2 GLN 93 -4.085 -6.274 -4.372 749 2HG GLN 93 HG1 GLN 93 -2.572 -6.540 -3.515 750 1HE2 GLN 93 HE21 GLN 93 -4.738 -8.262 -5.198 751 2HE2 GLN 93 HE22 GLN 93 -4.735 -9.716 -4.326 752 H LEU 94 HN LEU 94 -6.092 -3.549 -1.649 753 HA LEU 94 HA LEU 94 -6.171 -3.668 1.118 754 1HB LEU 94 HB2 LEU 94 -5.973 -1.538 0.153 755 2HB LEU 94 HB1 LEU 94 -7.400 -1.748 -0.845 756 HG LEU 94 HG LEU 94 -8.826 -1.743 1.168 757 1HD1 LEU 94 HD11 LEU 94 -7.619 -0.971 3.323 758 2HD1 LEU 94 HD12 LEU 94 -6.141 -1.526 2.535 759 3HD1 LEU 94 HD13 LEU 94 -7.448 -2.664 2.861 760 1HD2 LEU 94 HD21 LEU 94 -8.501 0.409 0.168 761 2HD2 LEU 94 HD22 LEU 94 -6.879 0.553 0.844 762 3HD2 LEU 94 HD23 LEU 94 -8.286 0.645 1.903 763 HA PRO 95 HA PRO 95 -11.093 -3.925 0.855 764 1HB PRO 95 HB2 PRO 95 -11.585 -5.539 -1.474 765 2HB PRO 95 HB1 PRO 95 -12.166 -3.900 -1.147 766 1HG PRO 95 HG2 PRO 95 -9.955 -4.790 -2.832 767 2HG PRO 95 HG1 PRO 95 -10.825 -3.249 -2.830 768 1HD PRO 95 HD2 PRO 95 -8.244 -3.517 -1.950 769 2HD PRO 95 HD1 PRO 95 -9.366 -2.274 -1.352 770 H GLN 96 HN GLN 96 -9.063 -6.389 -0.708 771 HA GLN 96 HA GLN 96 -10.316 -8.669 0.401 772 1HB GLN 96 HB2 GLN 96 -7.473 -8.258 -0.559 773 2HB GLN 96 HB1 GLN 96 -8.201 -9.826 -0.205 774 1HG GLN 96 HG2 GLN 96 -9.968 -9.358 -1.890 775 2HG GLN 96 HG1 GLN 96 -9.165 -7.837 -2.279 776 1HE2 GLN 96 HE21 GLN 96 -6.705 -9.941 -1.522 777 2HE2 GLN 96 HE22 GLN 96 -6.358 -10.531 -3.075 778 H TRP 97 HN TRP 97 -7.751 -6.556 1.543 779 HA TRP 97 HA TRP 97 -6.877 -8.149 3.723 780 1HB TRP 97 HB2 TRP 97 -6.838 -5.136 3.433 781 2HB TRP 97 HB1 TRP 97 -5.869 -6.086 4.560 782 HD1 TRP 97 HD1 TRP 97 -5.763 -8.316 1.893 783 HE1 TRP 97 HE1 TRP 97 -3.794 -7.911 0.271 784 HE3 TRP 97 HE3 TRP 97 -4.509 -3.544 3.206 785 HZ2 TRP 97 HZ2 TRP 97 -1.929 -5.832 -0.372 786 HZ3 TRP 97 HZ3 TRP 97 -2.638 -2.376 2.076 787 HH2 TRP 97 HH2 TRP 97 -1.348 -3.512 0.291 788 H LEU 98 HN LEU 98 -9.334 -5.621 3.427 789 HA LEU 98 HA LEU 98 -10.033 -5.636 6.192 790 1HB LEU 98 HB2 LEU 98 -11.600 -4.708 3.771 791 2HB LEU 98 HB1 LEU 98 -11.970 -4.318 5.450 792 HG LEU 98 HG LEU 98 -9.383 -3.628 4.034 793 1HD1 LEU 98 HD11 LEU 98 -11.971 -2.246 4.328 794 2HD1 LEU 98 HD12 LEU 98 -10.671 -1.970 3.168 795 3HD1 LEU 98 HD13 LEU 98 -10.572 -1.275 4.786 796 1HD2 LEU 98 HD21 LEU 98 -8.675 -3.615 6.205 797 2HD2 LEU 98 HD22 LEU 98 -10.316 -3.548 6.842 798 3HD2 LEU 98 HD23 LEU 98 -9.532 -2.075 6.273 799 H VAL 99 HN VAL 99 -11.120 -7.312 3.308 800 HA VAL 99 HA VAL 99 -13.362 -8.588 4.591 801 HB VAL 99 HB VAL 99 -11.990 -9.101 1.951 802 1HG1 VAL 99 HG11 VAL 99 -14.211 -10.345 1.524 803 2HG1 VAL 99 HG12 VAL 99 -14.387 -10.367 3.280 804 3HG1 VAL 99 HG13 VAL 99 -13.008 -11.162 2.521 805 1HG2 VAL 99 HG21 VAL 99 -14.671 -8.228 1.680 806 2HG2 VAL 99 HG22 VAL 99 -13.210 -7.324 1.287 807 3HG2 VAL 99 HG23 VAL 99 -13.932 -7.176 2.889 808 H GLN 100 HN GLN 100 -10.075 -9.560 3.687 809 HA GLN 100 HA GLN 100 -8.766 -11.319 4.374 810 1HB GLN 100 HB2 GLN 100 -10.849 -11.538 6.563 811 2HB GLN 100 HB1 GLN 100 -9.310 -12.398 6.536 812 1HG GLN 100 HG2 GLN 100 -9.453 -9.396 6.299 813 2HG GLN 100 HG1 GLN 100 -9.376 -10.198 7.867 814 1HE2 GLN 100 HE21 GLN 100 -7.275 -8.472 6.823 815 2HE2 GLN 100 HE22 GLN 100 -5.894 -9.437 6.612 816 H GLN 101 HN GLN 101 -9.894 -12.054 2.248 817 HA GLN 101 HA GLN 101 -11.841 -14.148 2.428 818 1HB GLN 101 HB2 GLN 101 -9.963 -13.384 0.179 819 2HB GLN 101 HB1 GLN 101 -11.320 -14.502 0.039 820 1HG GLN 101 HG2 GLN 101 -12.885 -12.732 0.664 821 2HG GLN 101 HG1 GLN 101 -11.549 -11.605 0.897 822 1HE2 GLN 101 HE21 GLN 101 -13.676 -11.156 -1.021 823 2HE2 GLN 101 HE22 GLN 101 -12.983 -11.193 -2.570 824 H GLU 102 HN GLU 102 -9.083 -14.295 3.834 825 HA GLU 102 HA GLU 102 -7.500 -16.302 2.764 826 1HB GLU 102 HB2 GLU 102 -8.161 -15.792 5.672 827 2HB GLU 102 HB1 GLU 102 -6.798 -16.750 5.088 828 1HG GLU 102 HG2 GLU 102 -5.959 -14.753 3.858 829 2HG GLU 102 HG1 GLU 102 -7.284 -13.807 4.535 830 H GLY 103 HN GLY 103 -7.467 -18.518 2.878 831 1HA GLY 103 HA2 GLY 103 -9.902 -19.847 3.912 832 2HA GLY 103 HA1 GLY 103 -9.200 -20.277 2.354 833 H ILE 104 HN ILE 104 -9.406 -22.362 3.949 834 HA ILE 104 HA ILE 104 -6.761 -22.653 5.240 835 HB ILE 104 HB ILE 104 -8.663 -22.944 6.780 836 1HG1 ILE 104 HG12 ILE 104 -7.423 -25.644 6.197 837 2HG1 ILE 104 HG11 ILE 104 -6.499 -24.315 6.901 838 1HG2 ILE 104 HG21 ILE 104 -9.971 -24.034 4.659 839 2HG2 ILE 104 HG22 ILE 104 -10.457 -24.282 6.336 840 3HG2 ILE 104 HG23 ILE 104 -9.477 -25.495 5.514 841 1HD1 ILE 104 HD11 ILE 104 -7.762 -24.306 8.875 842 2HD1 ILE 104 HD12 ILE 104 -7.665 -26.027 8.501 843 3HD1 ILE 104 HD13 ILE 104 -9.130 -25.122 8.117 844 H PHE 105 HN PHE 105 -5.343 -23.958 4.312 845 HA PHE 105 HA PHE 105 -4.459 -25.722 3.113 846 1HB PHE 105 HB2 PHE 105 -6.861 -26.744 3.956 847 2HB PHE 105 HB1 PHE 105 -7.012 -26.860 2.202 848 HD1 PHE 105 HD1 PHE 105 -4.743 -27.677 5.054 849 HD2 PHE 105 HD2 PHE 105 -5.859 -28.532 0.996 850 HE1 PHE 105 HE1 PHE 105 -3.236 -29.646 5.055 851 HE2 PHE 105 HE2 PHE 105 -4.352 -30.501 0.996 852 HZ PHE 105 HZ PHE 105 -3.041 -31.059 3.025 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 0.417 -0.137 40.271 2 2H GLY 1 HT2 GLY 1 0.108 0.878 41.598 3 3H GLY 1 HT3 GLY 1 -0.886 0.946 40.221 4 1HA GLY 1 HA2 GLY 1 -0.620 -1.570 41.731 5 2HA GLY 1 HA1 GLY 1 -1.729 -0.312 42.281 6 H SER 2 HN SER 2 -2.507 0.730 39.792 7 HA SER 2 HA SER 2 -4.117 -1.518 38.758 8 1HB SER 2 HB2 SER 2 -5.321 0.435 39.772 9 2HB SER 2 HB1 SER 2 -4.659 1.447 38.492 10 HG SER 2 HG SER 2 -6.604 0.747 37.753 11 H SER 3 HN SER 3 -4.112 -2.032 36.634 12 HA SER 3 HA SER 3 -2.713 -2.315 34.710 13 1HB SER 3 HB2 SER 3 -3.756 -0.926 33.007 14 2HB SER 3 HB1 SER 3 -4.975 -1.480 34.151 15 HG SER 3 HG SER 3 -4.427 0.618 35.259 16 H LEU 4 HN LEU 4 -0.547 -1.943 35.077 17 HA LEU 4 HA LEU 4 0.495 0.745 35.302 18 1HB LEU 4 HB2 LEU 4 1.478 -1.320 36.419 19 2HB LEU 4 HB1 LEU 4 2.073 -1.786 34.826 20 HG LEU 4 HG LEU 4 2.653 1.011 35.543 21 1HD1 LEU 4 HD11 LEU 4 4.603 0.207 37.013 22 2HD1 LEU 4 HD12 LEU 4 3.706 -1.303 37.178 23 3HD1 LEU 4 HD13 LEU 4 3.003 0.208 37.756 24 1HD2 LEU 4 HD21 LEU 4 4.616 0.578 34.356 25 2HD2 LEU 4 HD22 LEU 4 3.511 -0.580 33.617 26 3HD2 LEU 4 HD23 LEU 4 4.657 -1.116 34.846 27 H SER 5 HN SER 5 -0.558 -1.138 32.768 28 HA SER 5 HA SER 5 1.077 0.399 30.844 29 1HB SER 5 HB2 SER 5 0.175 -2.059 29.676 30 2HB SER 5 HB1 SER 5 1.825 -1.491 29.905 31 HG SER 5 HG SER 5 1.737 -3.264 31.141 32 HA PRO 6 HA PRO 6 -3.409 1.186 30.167 33 1HB PRO 6 HB2 PRO 6 -2.711 3.916 29.565 34 2HB PRO 6 HB1 PRO 6 -3.627 3.292 30.944 35 1HG PRO 6 HG2 PRO 6 -1.077 4.395 31.023 36 2HG PRO 6 HG1 PRO 6 -1.856 3.458 32.304 37 1HD PRO 6 HD2 PRO 6 0.274 2.637 30.423 38 2HD PRO 6 HD1 PRO 6 -0.153 1.963 32.011 39 H GLN 7 HN GLN 7 -4.534 1.504 28.251 40 HA GLN 7 HA GLN 7 -4.924 1.558 26.001 41 1HB GLN 7 HB2 GLN 7 -2.307 3.072 25.975 42 2HB GLN 7 HB1 GLN 7 -3.371 2.891 24.581 43 1HG GLN 7 HG2 GLN 7 -5.210 3.950 25.849 44 2HG GLN 7 HG1 GLN 7 -4.134 4.152 27.231 45 1HE2 GLN 7 HE21 GLN 7 -5.476 6.228 25.430 46 2HE2 GLN 7 HE22 GLN 7 -4.197 7.204 24.891 47 H ALA 8 HN ALA 8 -4.682 -0.772 26.070 48 HA ALA 8 HA ALA 8 -2.307 -1.676 24.553 49 1HB ALA 8 HB1 ALA 8 -2.026 -3.499 25.895 50 2HB ALA 8 HB2 ALA 8 -3.751 -3.651 26.231 51 3HB ALA 8 HB3 ALA 8 -2.788 -2.451 27.090 52 H LEU 9 HN LEU 9 -4.318 -0.790 23.073 53 HA LEU 9 HA LEU 9 -6.254 -2.874 22.506 54 1HB LEU 9 HB2 LEU 9 -6.777 -1.225 20.561 55 2HB LEU 9 HB1 LEU 9 -7.167 -0.749 22.214 56 HG LEU 9 HG LEU 9 -4.434 -0.099 21.204 57 1HD1 LEU 9 HD11 LEU 9 -5.430 0.821 19.338 58 2HD1 LEU 9 HD12 LEU 9 -5.687 2.151 20.467 59 3HD1 LEU 9 HD13 LEU 9 -6.991 1.011 20.134 60 1HD2 LEU 9 HD21 LEU 9 -6.352 1.662 22.722 61 2HD2 LEU 9 HD22 LEU 9 -4.589 1.649 22.771 62 3HD2 LEU 9 HD23 LEU 9 -5.503 0.353 23.544 63 H ALA 10 HN ALA 10 -6.526 -2.870 19.826 64 HA ALA 10 HA ALA 10 -4.556 -4.711 18.963 65 1HB ALA 10 HB1 ALA 10 -6.980 -3.466 17.851 66 2HB ALA 10 HB2 ALA 10 -6.416 -5.133 17.745 67 3HB ALA 10 HB3 ALA 10 -5.770 -3.912 16.649 68 H GLN 11 HN GLN 11 -3.048 -4.525 17.232 69 HA GLN 11 HA GLN 11 -1.717 -1.941 17.198 70 1HB GLN 11 HB2 GLN 11 -0.819 -4.374 15.675 71 2HB GLN 11 HB1 GLN 11 0.157 -3.074 16.363 72 1HG GLN 11 HG2 GLN 11 -0.324 -3.828 18.617 73 2HG GLN 11 HG1 GLN 11 -1.464 -5.030 18.014 74 1HE2 GLN 11 HE21 GLN 11 0.617 -5.404 15.666 75 2HE2 GLN 11 HE22 GLN 11 1.754 -6.461 16.352 76 HA PRO 12 HA PRO 12 -3.493 -0.599 13.359 77 1HB PRO 12 HB2 PRO 12 -1.099 0.776 12.566 78 2HB PRO 12 HB1 PRO 12 -2.588 1.464 13.228 79 1HG PRO 12 HG2 PRO 12 -0.054 1.130 14.502 80 2HG PRO 12 HG1 PRO 12 -1.519 1.887 15.133 81 1HD PRO 12 HD2 PRO 12 -0.387 -0.600 15.932 82 2HD PRO 12 HD1 PRO 12 -1.927 0.102 16.461 83 H LEU 13 HN LEU 13 -2.879 -0.556 10.951 84 HA LEU 13 HA LEU 13 -1.672 -3.103 10.291 85 1HB LEU 13 HB2 LEU 13 -3.773 -2.120 9.207 86 2HB LEU 13 HB1 LEU 13 -2.680 -1.046 8.342 87 HG LEU 13 HG LEU 13 -2.370 -4.052 8.330 88 1HD1 LEU 13 HD11 LEU 13 -3.257 -3.533 5.871 89 2HD1 LEU 13 HD12 LEU 13 -4.059 -2.202 6.708 90 3HD1 LEU 13 HD13 LEU 13 -4.374 -3.869 7.195 91 1HD2 LEU 13 HD21 LEU 13 -0.371 -3.374 7.467 92 2HD2 LEU 13 HD22 LEU 13 -0.951 -1.734 7.174 93 3HD2 LEU 13 HD23 LEU 13 -1.306 -3.015 6.016 94 H LEU 14 HN LEU 14 0.323 -3.424 9.472 95 HA LEU 14 HA LEU 14 2.032 -1.070 9.190 96 1HB LEU 14 HB2 LEU 14 2.752 -4.007 9.206 97 2HB LEU 14 HB1 LEU 14 3.866 -2.651 9.322 98 HG LEU 14 HG LEU 14 1.828 -3.576 11.338 99 1HD1 LEU 14 HD11 LEU 14 4.554 -2.698 12.088 100 2HD1 LEU 14 HD12 LEU 14 4.476 -4.138 11.072 101 3HD1 LEU 14 HD13 LEU 14 3.636 -4.106 12.623 102 1HD2 LEU 14 HD21 LEU 14 3.140 -0.865 11.058 103 2HD2 LEU 14 HD22 LEU 14 2.555 -1.463 12.610 104 3HD2 LEU 14 HD23 LEU 14 1.426 -1.229 11.273 105 H LEU 15 HN LEU 15 2.049 -0.192 7.288 106 HA LEU 15 HA LEU 15 2.171 -1.909 4.885 107 1HB LEU 15 HB2 LEU 15 0.062 -0.485 5.316 108 2HB LEU 15 HB1 LEU 15 1.084 0.909 4.983 109 HG LEU 15 HG LEU 15 -0.145 0.148 2.974 110 1HD1 LEU 15 HD11 LEU 15 1.622 0.586 1.588 111 2HD1 LEU 15 HD12 LEU 15 2.678 -0.576 2.386 112 3HD1 LEU 15 HD13 LEU 15 2.388 1.002 3.116 113 1HD2 LEU 15 HD21 LEU 15 1.558 -2.260 2.680 114 2HD2 LEU 15 HD22 LEU 15 -0.131 -2.013 2.236 115 3HD2 LEU 15 HD23 LEU 15 0.295 -2.375 3.906 116 H GLN 16 HN GLN 16 3.933 -1.596 3.566 117 HA GLN 16 HA GLN 16 5.536 0.842 4.042 118 1HB GLN 16 HB2 GLN 16 6.484 -2.012 3.896 119 2HB GLN 16 HB1 GLN 16 7.567 -0.651 3.592 120 1HG GLN 16 HG2 GLN 16 7.080 0.284 5.784 121 2HG GLN 16 HG1 GLN 16 5.895 -0.985 6.098 122 1HE2 GLN 16 HE21 GLN 16 7.952 -0.784 7.935 123 2HE2 GLN 16 HE22 GLN 16 9.061 -2.054 7.730 124 H LEU 17 HN LEU 17 6.961 1.458 2.312 125 HA LEU 17 HA LEU 17 6.293 0.369 -0.335 126 1HB LEU 17 HB2 LEU 17 4.792 2.283 0.056 127 2HB LEU 17 HB1 LEU 17 6.188 3.303 0.391 128 HG LEU 17 HG LEU 17 7.016 2.513 -1.962 129 1HD1 LEU 17 HD11 LEU 17 5.518 1.512 -3.370 130 2HD1 LEU 17 HD12 LEU 17 4.141 2.368 -2.675 131 3HD1 LEU 17 HD13 LEU 17 4.805 0.955 -1.857 132 1HD2 LEU 17 HD21 LEU 17 5.968 4.429 -2.962 133 2HD2 LEU 17 HD22 LEU 17 6.202 4.819 -1.258 134 3HD2 LEU 17 HD23 LEU 17 4.607 4.346 -1.844 135 H PHE 18 HN PHE 18 8.051 0.117 -1.583 136 HA PHE 18 HA PHE 18 10.584 1.293 -0.654 137 1HB PHE 18 HB2 PHE 18 9.910 -0.998 -2.499 138 2HB PHE 18 HB1 PHE 18 11.532 -0.310 -2.428 139 HD1 PHE 18 HD1 PHE 18 8.830 -1.650 -0.201 140 HD2 PHE 18 HD2 PHE 18 13.042 -1.068 -0.815 141 HE1 PHE 18 HE1 PHE 18 9.313 -2.981 1.835 142 HE2 PHE 18 HE2 PHE 18 13.532 -2.404 1.222 143 HZ PHE 18 HZ PHE 18 11.655 -3.350 2.547 144 H VAL 19 HN VAL 19 11.369 3.044 -1.641 145 HA VAL 19 HA VAL 19 10.635 3.489 -4.470 146 HB VAL 19 HB VAL 19 10.191 5.800 -4.069 147 1HG1 VAL 19 HG11 VAL 19 8.925 4.232 -1.802 148 2HG1 VAL 19 HG12 VAL 19 8.388 4.158 -3.480 149 3HG1 VAL 19 HG13 VAL 19 8.271 5.672 -2.583 150 1HG2 VAL 19 HG21 VAL 19 11.287 5.208 -1.311 151 2HG2 VAL 19 HG22 VAL 19 10.325 6.646 -1.648 152 3HG2 VAL 19 HG23 VAL 19 11.862 6.400 -2.476 153 H ASP 20 HN ASP 20 12.056 4.857 -5.653 154 HA ASP 20 HA ASP 20 14.842 4.703 -4.712 155 1HB ASP 20 HB2 ASP 20 15.459 4.992 -7.051 156 2HB ASP 20 HB1 ASP 20 14.292 3.679 -6.911 157 H THR 21 HN THR 21 12.568 6.730 -4.172 158 HA THR 21 HA THR 21 12.565 8.940 -3.538 159 HB THR 21 HB THR 21 14.549 10.186 -3.451 160 HG1 THR 21 HG1 THR 21 16.038 10.116 -4.966 161 1HG2 THR 21 HG21 THR 21 15.920 7.552 -3.553 162 2HG2 THR 21 HG22 THR 21 14.528 7.671 -2.476 163 3HG2 THR 21 HG23 THR 21 15.898 8.763 -2.270 164 H ARG 22 HN ARG 22 12.381 7.745 -6.549 165 HA ARG 22 HA ARG 22 12.551 10.147 -8.126 166 1HB ARG 22 HB2 ARG 22 11.705 8.846 -9.933 167 2HB ARG 22 HB1 ARG 22 12.770 7.780 -9.019 168 1HG ARG 22 HG2 ARG 22 10.732 6.953 -7.774 169 2HG ARG 22 HG1 ARG 22 9.749 7.873 -8.913 170 1HD ARG 22 HD2 ARG 22 10.233 6.484 -10.679 171 2HD ARG 22 HD1 ARG 22 11.821 6.057 -10.049 172 HE ARG 22 HE ARG 22 9.432 5.039 -8.663 173 1HH1 ARG 22 HH21 ARG 22 9.930 3.622 -11.284 174 2HH1 ARG 22 HH22 ARG 22 10.954 2.313 -10.798 175 1HH2 ARG 22 HH11 ARG 22 11.764 3.732 -7.741 176 2HH2 ARG 22 HH12 ARG 22 11.993 2.375 -8.793 177 HA PRO 23 HA PRO 23 8.764 12.128 -7.162 178 1HB PRO 23 HB2 PRO 23 8.017 12.630 -9.887 179 2HB PRO 23 HB1 PRO 23 8.735 13.753 -8.724 180 1HG PRO 23 HG2 PRO 23 9.960 12.400 -10.952 181 2HG PRO 23 HG1 PRO 23 10.604 13.698 -9.938 182 1HD PRO 23 HD2 PRO 23 11.479 11.034 -9.932 183 2HD PRO 23 HD1 PRO 23 11.827 12.242 -8.680 184 H LEU 24 HN LEU 24 8.673 9.803 -9.857 185 HA LEU 24 HA LEU 24 5.919 9.411 -10.029 186 1HB LEU 24 HB2 LEU 24 7.606 8.444 -11.589 187 2HB LEU 24 HB1 LEU 24 8.054 7.285 -10.338 188 HG LEU 24 HG LEU 24 5.485 6.757 -10.283 189 1HD1 LEU 24 HD11 LEU 24 4.918 8.658 -11.819 190 2HD1 LEU 24 HD12 LEU 24 4.359 7.095 -12.414 191 3HD1 LEU 24 HD13 LEU 24 5.806 7.834 -13.100 192 1HD2 LEU 24 HD21 LEU 24 7.288 5.211 -11.018 193 2HD2 LEU 24 HD22 LEU 24 7.211 5.918 -12.632 194 3HD2 LEU 24 HD23 LEU 24 5.827 5.031 -11.991 195 H SER 25 HN SER 25 8.286 7.842 -7.878 196 HA SER 25 HA SER 25 6.444 6.089 -6.620 197 1HB SER 25 HB2 SER 25 8.177 5.757 -4.962 198 2HB SER 25 HB1 SER 25 8.937 5.840 -6.548 199 HG SER 25 HG SER 25 10.095 7.210 -5.303 200 H GLN 26 HN GLN 26 7.635 9.342 -5.884 201 HA GLN 26 HA GLN 26 6.229 9.663 -3.432 202 1HB GLN 26 HB2 GLN 26 7.132 11.734 -5.460 203 2HB GLN 26 HB1 GLN 26 6.580 12.089 -3.823 204 1HG GLN 26 HG2 GLN 26 8.411 10.668 -2.923 205 2HG GLN 26 HG1 GLN 26 8.987 10.402 -4.568 206 1HE2 GLN 26 HE21 GLN 26 7.782 13.495 -4.586 207 2HE2 GLN 26 HE22 GLN 26 9.200 14.350 -4.212 208 H HIS 27 HN HIS 27 5.521 10.054 -6.801 209 HA HIS 27 HA HIS 27 3.045 11.404 -6.706 210 1HB HIS 27 HB2 HIS 27 4.698 10.578 -8.658 211 2HB HIS 27 HB1 HIS 27 3.539 9.257 -8.718 212 HD1 HIS 27 HD1 HIS 27 0.934 10.844 -8.159 213 HD2 HIS 27 HD2 HIS 27 3.911 12.057 -10.815 214 HE1 HIS 27 HE1 HIS 27 -0.181 12.411 -9.811 215 H ILE 28 HN ILE 28 3.864 7.969 -6.970 216 HA ILE 28 HA ILE 28 1.241 6.962 -6.662 217 HB ILE 28 HB ILE 28 3.956 5.701 -6.203 218 1HG1 ILE 28 HG12 ILE 28 1.968 5.531 -8.491 219 2HG1 ILE 28 HG11 ILE 28 3.477 6.445 -8.510 220 1HG2 ILE 28 HG21 ILE 28 1.884 3.811 -6.830 221 2HG2 ILE 28 HG22 ILE 28 1.377 4.747 -5.425 222 3HG2 ILE 28 HG23 ILE 28 2.909 3.874 -5.398 223 1HD1 ILE 28 HD11 ILE 28 4.120 3.819 -7.645 224 2HD1 ILE 28 HD12 ILE 28 4.560 4.588 -9.170 225 3HD1 ILE 28 HD13 ILE 28 3.072 3.650 -9.053 226 H VAL 29 HN VAL 29 3.784 7.827 -4.383 227 HA VAL 29 HA VAL 29 2.799 6.582 -2.081 228 HB VAL 29 HB VAL 29 4.326 9.154 -2.477 229 1HG1 VAL 29 HG11 VAL 29 4.719 8.649 0.122 230 2HG1 VAL 29 HG12 VAL 29 3.092 7.984 -0.023 231 3HG1 VAL 29 HG13 VAL 29 3.393 9.672 -0.430 232 1HG2 VAL 29 HG21 VAL 29 6.181 7.852 -2.193 233 2HG2 VAL 29 HG22 VAL 29 5.104 6.530 -2.645 234 3HG2 VAL 29 HG23 VAL 29 5.413 6.873 -0.942 235 H GLN 30 HN GLN 30 2.015 9.748 -3.490 236 HA GLN 30 HA GLN 30 0.209 10.577 -1.491 237 1HB GLN 30 HB2 GLN 30 0.203 11.182 -4.461 238 2HB GLN 30 HB1 GLN 30 -0.779 12.022 -3.261 239 1HG GLN 30 HG2 GLN 30 2.248 11.882 -3.248 240 2HG GLN 30 HG1 GLN 30 1.295 13.262 -3.788 241 1HE2 GLN 30 HE21 GLN 30 0.552 14.714 -2.195 242 2HE2 GLN 30 HE22 GLN 30 0.745 14.465 -0.527 243 H ARG 31 HN ARG 31 -0.217 8.700 -4.473 244 HA ARG 31 HA ARG 31 -3.019 8.382 -4.273 245 1HB ARG 31 HB2 ARG 31 -0.920 6.625 -5.557 246 2HB ARG 31 HB1 ARG 31 -2.660 6.400 -5.751 247 1HG ARG 31 HG2 ARG 31 -2.801 8.771 -6.575 248 2HG ARG 31 HG1 ARG 31 -1.039 8.831 -6.551 249 1HD ARG 31 HD2 ARG 31 -1.043 6.803 -8.053 250 2HD ARG 31 HD1 ARG 31 -2.788 6.993 -8.197 251 HE ARG 31 HE ARG 31 -1.319 9.397 -8.834 252 1HH1 ARG 31 HH21 ARG 31 -1.498 6.288 -10.179 253 2HH1 ARG 31 HH22 ARG 31 -2.005 6.813 -11.751 254 1HH2 ARG 31 HH11 ARG 31 -2.423 10.122 -10.803 255 2HH2 ARG 31 HH12 ARG 31 -2.528 8.983 -12.103 256 H VAL 32 HN VAL 32 -0.302 6.497 -3.004 257 HA VAL 32 HA VAL 32 -1.865 4.398 -1.901 258 HB VAL 32 HB VAL 32 0.866 5.478 -1.161 259 1HG1 VAL 32 HG11 VAL 32 -0.511 2.930 -0.261 260 2HG1 VAL 32 HG12 VAL 32 -0.190 4.331 0.761 261 3HG1 VAL 32 HG13 VAL 32 1.149 3.392 0.107 262 1HG2 VAL 32 HG21 VAL 32 1.408 4.393 -3.072 263 2HG2 VAL 32 HG22 VAL 32 -0.189 3.652 -3.190 264 3HG2 VAL 32 HG23 VAL 32 1.063 2.901 -2.199 265 H LYS 33 HN LYS 33 -0.463 7.347 -0.490 266 HA LYS 33 HA LYS 33 -1.529 7.055 2.095 267 1HB LYS 33 HB2 LYS 33 -0.710 9.502 0.526 268 2HB LYS 33 HB1 LYS 33 -1.147 9.530 2.232 269 1HG LYS 33 HG2 LYS 33 0.633 7.815 2.662 270 2HG LYS 33 HG1 LYS 33 1.127 7.973 0.975 271 1HD LYS 33 HD2 LYS 33 1.517 10.394 1.331 272 2HD LYS 33 HD1 LYS 33 1.074 10.202 3.026 273 1HE LYS 33 HE2 LYS 33 3.091 9.315 3.564 274 2HE LYS 33 HE1 LYS 33 3.114 8.286 2.137 275 1HZ LYS 33 HZ1 LYS 33 3.482 10.596 0.968 276 2HZ LYS 33 HZ2 LYS 33 4.781 9.711 1.612 277 3HZ LYS 33 HZ3 LYS 33 4.116 11.009 2.485 278 H ASN 34 HN ASN 34 -2.759 8.693 -0.790 279 HA ASN 34 HA ASN 34 -5.021 9.882 0.386 280 1HB ASN 34 HB2 ASN 34 -4.533 9.001 -2.464 281 2HB ASN 34 HB1 ASN 34 -5.829 10.070 -1.943 282 1HD2 ASN 34 HD21 ASN 34 -3.178 10.458 -3.611 283 2HD2 ASN 34 HD22 ASN 34 -2.499 11.855 -2.920 284 H ILE 35 HN ILE 35 -4.664 6.779 -1.327 285 HA ILE 35 HA ILE 35 -7.413 6.067 -1.160 286 HB ILE 35 HB ILE 35 -4.957 4.362 -1.543 287 1HG1 ILE 35 HG12 ILE 35 -6.999 5.309 -3.570 288 2HG1 ILE 35 HG11 ILE 35 -5.500 6.178 -3.252 289 1HG2 ILE 35 HG21 ILE 35 -7.811 3.720 -1.254 290 2HG2 ILE 35 HG22 ILE 35 -6.404 2.662 -1.148 291 3HG2 ILE 35 HG23 ILE 35 -7.083 3.070 -2.723 292 1HD1 ILE 35 HD11 ILE 35 -5.888 3.461 -4.472 293 2HD1 ILE 35 HD12 ILE 35 -4.380 3.836 -3.638 294 3HD1 ILE 35 HD13 ILE 35 -4.879 4.794 -5.032 295 H LEU 36 HN LEU 36 -4.587 4.948 0.731 296 HA LEU 36 HA LEU 36 -6.009 3.238 2.439 297 1HB LEU 36 HB2 LEU 36 -3.483 4.815 2.986 298 2HB LEU 36 HB1 LEU 36 -4.073 3.473 3.968 299 HG LEU 36 HG LEU 36 -3.291 3.341 1.039 300 1HD1 LEU 36 HD11 LEU 36 -2.078 1.919 3.421 301 2HD1 LEU 36 HD12 LEU 36 -1.458 3.451 2.806 302 3HD1 LEU 36 HD13 LEU 36 -1.435 2.016 1.780 303 1HD2 LEU 36 HD21 LEU 36 -4.690 1.439 2.893 304 2HD2 LEU 36 HD22 LEU 36 -3.596 0.791 1.670 305 3HD2 LEU 36 HD23 LEU 36 -4.991 1.754 1.184 306 H ALA 37 HN ALA 37 -5.284 6.681 2.689 307 HA ALA 37 HA ALA 37 -6.453 7.019 5.278 308 1HB ALA 37 HB1 ALA 37 -5.865 9.016 3.075 309 2HB ALA 37 HB2 ALA 37 -4.826 8.631 4.448 310 3HB ALA 37 HB3 ALA 37 -6.369 9.443 4.711 311 H ALA 38 HN ALA 38 -7.710 6.546 2.148 312 HA ALA 38 HA ALA 38 -10.170 8.011 2.592 313 1HB ALA 38 HB1 ALA 38 -10.801 7.302 0.408 314 2HB ALA 38 HB2 ALA 38 -9.621 5.991 0.420 315 3HB ALA 38 HB3 ALA 38 -9.076 7.666 0.329 316 H VAL 39 HN VAL 39 -8.993 4.816 3.206 317 HA VAL 39 HA VAL 39 -11.674 3.687 3.380 318 HB VAL 39 HB VAL 39 -9.828 2.310 2.498 319 1HG1 VAL 39 HG11 VAL 39 -8.362 1.436 4.599 320 2HG1 VAL 39 HG12 VAL 39 -8.615 3.110 5.091 321 3HG1 VAL 39 HG13 VAL 39 -7.843 2.752 3.548 322 1HG2 VAL 39 HG21 VAL 39 -10.304 0.828 4.961 323 2HG2 VAL 39 HG22 VAL 39 -10.883 0.496 3.329 324 3HG2 VAL 39 HG23 VAL 39 -11.775 1.601 4.373 325 H GLU 40 HN GLU 40 -9.591 5.425 5.387 326 HA GLU 40 HA GLU 40 -9.408 5.645 7.692 327 1HB GLU 40 HB2 GLU 40 -11.487 6.871 7.027 328 2HB GLU 40 HB1 GLU 40 -12.415 5.428 7.440 329 1HG GLU 40 HG2 GLU 40 -11.471 5.525 9.743 330 2HG GLU 40 HG1 GLU 40 -10.648 7.022 9.314 331 H ALA 41 HN ALA 41 -12.312 4.189 8.592 332 HA ALA 41 HA ALA 41 -12.856 2.084 9.435 333 1HB ALA 41 HB1 ALA 41 -10.950 1.340 7.727 334 2HB ALA 41 HB2 ALA 41 -11.575 0.235 8.951 335 3HB ALA 41 HB3 ALA 41 -10.053 1.086 9.224 336 H THR 42 HN THR 42 -12.338 0.831 11.427 337 HA THR 42 HA THR 42 -11.494 2.618 13.511 338 HB THR 42 HB THR 42 -12.087 0.814 15.020 339 HG1 THR 42 HG1 THR 42 -11.303 -0.984 14.110 340 1HG2 THR 42 HG21 THR 42 -13.969 0.883 12.645 341 2HG2 THR 42 HG22 THR 42 -13.930 2.072 13.947 342 3HG2 THR 42 HG23 THR 42 -14.395 0.406 14.288 343 H VAL 43 HN VAL 43 -9.830 0.656 11.392 344 HA VAL 43 HA VAL 43 -7.527 0.467 13.223 345 HB VAL 43 HB VAL 43 -6.928 -1.520 11.657 346 1HG1 VAL 43 HG11 VAL 43 -7.345 -1.951 13.960 347 2HG1 VAL 43 HG12 VAL 43 -8.450 -3.019 13.096 348 3HG1 VAL 43 HG13 VAL 43 -9.049 -1.520 13.808 349 1HG2 VAL 43 HG21 VAL 43 -8.816 -2.655 10.671 350 2HG2 VAL 43 HG22 VAL 43 -8.839 -0.989 10.096 351 3HG2 VAL 43 HG23 VAL 43 -9.941 -1.495 11.376 352 HA PRO 44 HA PRO 44 -6.479 3.174 9.609 353 1HB PRO 44 HB2 PRO 44 -4.489 4.392 11.292 354 2HB PRO 44 HB1 PRO 44 -5.970 5.110 10.647 355 1HG PRO 44 HG2 PRO 44 -5.415 4.322 13.317 356 2HG PRO 44 HG1 PRO 44 -6.900 5.025 12.666 357 1HD PRO 44 HD2 PRO 44 -6.460 2.327 13.544 358 2HD PRO 44 HD1 PRO 44 -7.952 3.033 12.894 359 H ILE 45 HN ILE 45 -4.613 3.156 8.293 360 HA ILE 45 HA ILE 45 -2.723 0.996 8.954 361 HB ILE 45 HB ILE 45 -3.204 2.310 6.275 362 1HG1 ILE 45 HG12 ILE 45 -4.269 -0.143 6.009 363 2HG1 ILE 45 HG11 ILE 45 -4.599 0.109 7.725 364 1HG2 ILE 45 HG21 ILE 45 -2.259 -0.353 6.077 365 2HG2 ILE 45 HG22 ILE 45 -1.260 0.433 7.302 366 3HG2 ILE 45 HG23 ILE 45 -1.380 1.124 5.681 367 1HD1 ILE 45 HD11 ILE 45 -6.472 1.149 6.900 368 2HD1 ILE 45 HD12 ILE 45 -5.710 1.516 5.352 369 3HD1 ILE 45 HD13 ILE 45 -5.366 2.515 6.764 370 H SER 46 HN SER 46 -0.520 1.289 8.886 371 HA SER 46 HA SER 46 0.378 4.100 8.867 372 1HB SER 46 HB2 SER 46 0.840 2.775 10.920 373 2HB SER 46 HB1 SER 46 1.782 1.644 9.952 374 HG SER 46 HG SER 46 2.702 3.972 9.306 375 H LEU 47 HN LEU 47 1.592 4.807 7.228 376 HA LEU 47 HA LEU 47 2.616 2.824 5.303 377 1HB LEU 47 HB2 LEU 47 1.034 4.912 4.783 378 2HB LEU 47 HB1 LEU 47 2.585 5.742 4.701 379 HG LEU 47 HG LEU 47 1.643 3.396 3.042 380 1HD1 LEU 47 HD11 LEU 47 2.245 4.930 1.191 381 2HD1 LEU 47 HD12 LEU 47 2.726 6.146 2.369 382 3HD1 LEU 47 HD13 LEU 47 1.039 5.647 2.259 383 1HD2 LEU 47 HD21 LEU 47 3.864 2.749 3.515 384 2HD2 LEU 47 HD22 LEU 47 4.437 4.417 3.557 385 3HD2 LEU 47 HD23 LEU 47 4.021 3.666 2.019 386 H GLN 48 HN GLN 48 4.746 2.510 5.101 387 HA GLN 48 HA GLN 48 6.578 4.600 6.100 388 1HB GLN 48 HB2 GLN 48 6.274 1.864 7.033 389 2HB GLN 48 HB1 GLN 48 7.912 2.178 6.456 390 1HG GLN 48 HG2 GLN 48 6.495 4.089 8.312 391 2HG GLN 48 HG1 GLN 48 7.415 2.715 8.925 392 1HE2 GLN 48 HE21 GLN 48 9.577 3.174 9.330 393 2HE2 GLN 48 HE22 GLN 48 10.471 4.401 8.573 394 H VAL 49 HN VAL 49 8.105 5.167 4.683 395 HA VAL 49 HA VAL 49 8.330 3.590 2.215 396 HB VAL 49 HB VAL 49 9.408 6.364 2.713 397 1HG1 VAL 49 HG11 VAL 49 8.800 6.088 0.048 398 2HG1 VAL 49 HG12 VAL 49 9.347 4.466 0.467 399 3HG1 VAL 49 HG13 VAL 49 10.405 5.849 0.743 400 1HG2 VAL 49 HG21 VAL 49 6.875 6.105 3.017 401 2HG2 VAL 49 HG22 VAL 49 6.819 5.647 1.314 402 3HG2 VAL 49 HG23 VAL 49 7.387 7.251 1.778 403 H ILE 50 HN ILE 50 10.142 2.566 1.659 404 HA ILE 50 HA ILE 50 12.528 2.981 3.351 405 HB ILE 50 HB ILE 50 11.828 0.486 1.790 406 1HG1 ILE 50 HG12 ILE 50 11.342 1.119 4.716 407 2HG1 ILE 50 HG11 ILE 50 10.093 0.933 3.490 408 1HG2 ILE 50 HG21 ILE 50 13.417 -0.287 3.831 409 2HG2 ILE 50 HG22 ILE 50 13.983 1.370 3.647 410 3HG2 ILE 50 HG23 ILE 50 14.061 0.255 2.283 411 1HD1 ILE 50 HD11 ILE 50 11.982 -1.319 3.604 412 2HD1 ILE 50 HD12 ILE 50 10.221 -1.330 3.522 413 3HD1 ILE 50 HD13 ILE 50 11.031 -1.108 5.073 414 H ASN 51 HN ASN 51 14.212 3.873 2.278 415 HA ASN 51 HA ASN 51 14.048 4.164 -0.591 416 1HB ASN 51 HB2 ASN 51 16.051 5.069 1.483 417 2HB ASN 51 HB1 ASN 51 16.287 5.331 -0.240 418 1HD2 ASN 51 HD21 ASN 51 16.067 7.605 1.336 419 2HD2 ASN 51 HD22 ASN 51 14.562 8.348 1.084 420 H VAL 52 HN VAL 52 14.555 2.404 -1.788 421 HA VAL 52 HA VAL 52 16.024 0.195 -0.979 422 HB VAL 52 HB VAL 52 16.287 -0.330 -3.371 423 1HG1 VAL 52 HG11 VAL 52 14.168 -0.997 -2.840 424 2HG1 VAL 52 HG12 VAL 52 13.704 0.344 -3.887 425 3HG1 VAL 52 HG13 VAL 52 13.744 0.565 -2.138 426 1HG2 VAL 52 HG21 VAL 52 16.515 1.351 -4.855 427 2HG2 VAL 52 HG22 VAL 52 16.180 2.533 -3.590 428 3HG2 VAL 52 HG23 VAL 52 14.855 1.847 -4.529 429 H ALA 53 HN ALA 53 17.146 3.315 -1.878 430 HA ALA 53 HA ALA 53 19.819 2.541 -2.583 431 1HB ALA 53 HB1 ALA 53 18.819 5.247 -1.664 432 2HB ALA 53 HB2 ALA 53 18.733 4.673 -3.329 433 3HB ALA 53 HB3 ALA 53 20.302 4.910 -2.558 434 H ASP 54 HN ASP 54 18.116 2.694 0.346 435 HA ASP 54 HA ASP 54 20.542 3.242 1.896 436 1HB ASP 54 HB2 ASP 54 17.645 3.040 2.733 437 2HB ASP 54 HB1 ASP 54 18.987 3.360 3.829 438 H GLN 55 HN GLN 55 18.003 0.791 1.452 439 HA GLN 55 HA GLN 55 19.838 -1.167 2.664 440 1HB GLN 55 HB2 GLN 55 17.890 -2.189 3.819 441 2HB GLN 55 HB1 GLN 55 18.250 -0.551 4.370 442 1HG GLN 55 HG2 GLN 55 16.286 -0.925 2.141 443 2HG GLN 55 HG1 GLN 55 15.771 -1.214 3.801 444 1HE2 GLN 55 HE21 GLN 55 15.610 1.147 1.588 445 2HE2 GLN 55 HE22 GLN 55 15.782 2.518 2.574 446 HA PRO 56 HA PRO 56 18.038 -2.536 -1.418 447 1HB PRO 56 HB2 PRO 56 20.725 -3.119 -2.267 448 2HB PRO 56 HB1 PRO 56 19.599 -1.926 -2.931 449 1HG PRO 56 HG2 PRO 56 21.930 -1.404 -1.490 450 2HG PRO 56 HG1 PRO 56 20.657 -0.249 -1.899 451 1HD PRO 56 HD2 PRO 56 21.258 -1.502 0.692 452 2HD PRO 56 HD1 PRO 56 20.290 -0.058 0.338 453 H GLN 57 HN GLN 57 19.871 -3.764 1.125 454 HA GLN 57 HA GLN 57 20.379 -6.405 0.169 455 1HB GLN 57 HB2 GLN 57 21.695 -5.642 1.997 456 2HB GLN 57 HB1 GLN 57 20.264 -5.208 2.934 457 1HG GLN 57 HG2 GLN 57 19.610 -7.548 3.114 458 2HG GLN 57 HG1 GLN 57 20.952 -8.030 2.069 459 1HE2 GLN 57 HE21 GLN 57 20.890 -9.196 4.581 460 2HE2 GLN 57 HE22 GLN 57 22.093 -8.525 5.573 461 H LEU 58 HN LEU 58 17.826 -5.042 2.278 462 HA LEU 58 HA LEU 58 16.517 -7.566 2.548 463 1HB LEU 58 HB2 LEU 58 15.044 -6.468 3.928 464 2HB LEU 58 HB1 LEU 58 16.400 -5.347 4.006 465 HG LEU 58 HG LEU 58 15.227 -4.288 1.886 466 1HD1 LEU 58 HD11 LEU 58 13.505 -6.331 2.310 467 2HD1 LEU 58 HD12 LEU 58 13.030 -4.806 1.558 468 3HD1 LEU 58 HD13 LEU 58 12.737 -5.077 3.277 469 1HD2 LEU 58 HD21 LEU 58 14.219 -2.682 3.330 470 2HD2 LEU 58 HD22 LEU 58 15.568 -3.337 4.259 471 3HD2 LEU 58 HD23 LEU 58 13.923 -3.884 4.587 472 H VAL 59 HN VAL 59 16.496 -4.993 0.247 473 HA VAL 59 HA VAL 59 14.005 -5.456 -1.035 474 HB VAL 59 HB VAL 59 16.637 -4.411 -2.101 475 1HG1 VAL 59 HG11 VAL 59 15.585 -3.789 -4.062 476 2HG1 VAL 59 HG12 VAL 59 13.990 -3.812 -3.323 477 3HG1 VAL 59 HG13 VAL 59 14.785 -5.324 -3.739 478 1HG2 VAL 59 HG21 VAL 59 15.715 -2.230 -1.690 479 2HG2 VAL 59 HG22 VAL 59 15.502 -3.162 -0.209 480 3HG2 VAL 59 HG23 VAL 59 14.137 -2.913 -1.296 481 H GLU 60 HN GLU 60 17.281 -6.748 -1.548 482 HA GLU 60 HA GLU 60 16.591 -8.388 -3.764 483 1HB GLU 60 HB2 GLU 60 18.898 -8.534 -1.813 484 2HB GLU 60 HB1 GLU 60 18.760 -9.531 -3.263 485 1HG GLU 60 HG2 GLU 60 18.616 -7.471 -4.640 486 2HG GLU 60 HG1 GLU 60 18.835 -6.502 -3.185 487 H TYR 61 HN TYR 61 16.585 -8.875 -0.274 488 HA TYR 61 HA TYR 61 16.321 -11.660 -0.199 489 1HB TYR 61 HB2 TYR 61 16.631 -10.221 1.809 490 2HB TYR 61 HB1 TYR 61 14.969 -9.659 1.628 491 HD1 TYR 61 HD1 TYR 61 17.099 -12.606 2.345 492 HD2 TYR 61 HD2 TYR 61 13.096 -11.053 2.222 493 HE1 TYR 61 HE1 TYR 61 16.287 -14.601 3.577 494 HE2 TYR 61 HE2 TYR 61 12.285 -13.047 3.453 495 HH TYR 61 HH TYR 61 14.394 -15.236 4.999 496 H TYR 62 HN TYR 62 13.890 -9.117 -0.618 497 HA TYR 62 HA TYR 62 11.759 -11.071 -0.969 498 1HB TYR 62 HB2 TYR 62 11.846 -8.052 -1.080 499 2HB TYR 62 HB1 TYR 62 10.394 -8.990 -1.390 500 HD1 TYR 62 HD1 TYR 62 10.250 -11.041 0.575 501 HD2 TYR 62 HD2 TYR 62 11.826 -7.063 1.003 502 HE1 TYR 62 HE1 TYR 62 9.813 -11.127 3.012 503 HE2 TYR 62 HE2 TYR 62 11.383 -7.154 3.443 504 HH TYR 62 HH TYR 62 9.413 -8.937 4.885 505 H ARG 63 HN ARG 63 14.233 -10.276 -2.838 506 HA ARG 63 HA ARG 63 14.636 -10.259 -5.105 507 1HB ARG 63 HB2 ARG 63 11.868 -11.463 -5.150 508 2HB ARG 63 HB1 ARG 63 12.948 -11.377 -6.543 509 1HG ARG 63 HG2 ARG 63 14.677 -12.494 -4.903 510 2HG ARG 63 HG1 ARG 63 13.226 -12.994 -4.033 511 1HD ARG 63 HD2 ARG 63 13.638 -14.756 -5.550 512 2HD ARG 63 HD1 ARG 63 12.354 -13.811 -6.295 513 HE ARG 63 HE ARG 63 13.839 -13.717 -8.072 514 1HH1 ARG 63 HH21 ARG 63 16.111 -15.115 -6.588 515 2HH1 ARG 63 HH22 ARG 63 17.357 -13.914 -6.651 516 1HH2 ARG 63 HH11 ARG 63 15.195 -11.338 -7.499 517 2HH2 ARG 63 HH12 ARG 63 16.840 -11.774 -7.170 518 H LEU 64 HN LEU 64 12.815 -8.264 -3.537 519 HA LEU 64 HA LEU 64 11.121 -6.936 -5.329 520 1HB LEU 64 HB2 LEU 64 11.430 -6.732 -2.754 521 2HB LEU 64 HB1 LEU 64 12.667 -5.548 -3.152 522 HG LEU 64 HG LEU 64 10.428 -4.552 -2.719 523 1HD1 LEU 64 HD11 LEU 64 10.466 -3.026 -4.577 524 2HD1 LEU 64 HD12 LEU 64 11.302 -4.200 -5.588 525 3HD1 LEU 64 HD13 LEU 64 12.124 -3.476 -4.207 526 1HD2 LEU 64 HD21 LEU 64 9.399 -6.640 -4.040 527 2HD2 LEU 64 HD22 LEU 64 9.472 -5.481 -5.370 528 3HD2 LEU 64 HD23 LEU 64 8.555 -5.098 -3.914 529 H VAL 65 HN VAL 65 12.866 -7.301 -7.140 530 HA VAL 65 HA VAL 65 14.897 -5.231 -7.246 531 HB VAL 65 HB VAL 65 14.083 -6.972 -9.549 532 1HG1 VAL 65 HG11 VAL 65 15.805 -5.219 -9.871 533 2HG1 VAL 65 HG12 VAL 65 16.499 -6.833 -10.032 534 3HG1 VAL 65 HG13 VAL 65 16.747 -5.911 -8.549 535 1HG2 VAL 65 HG21 VAL 65 16.125 -8.329 -8.250 536 2HG2 VAL 65 HG22 VAL 65 14.423 -8.791 -8.241 537 3HG2 VAL 65 HG23 VAL 65 15.079 -7.818 -6.924 538 H VAL 66 HN VAL 66 11.644 -5.167 -7.654 539 HA VAL 66 HA VAL 66 11.766 -3.275 -9.913 540 HB VAL 66 HB VAL 66 9.277 -3.625 -9.966 541 1HG1 VAL 66 HG11 VAL 66 9.441 -5.618 -11.240 542 2HG1 VAL 66 HG12 VAL 66 10.786 -6.219 -10.269 543 3HG1 VAL 66 HG13 VAL 66 11.029 -4.864 -11.372 544 1HG2 VAL 66 HG21 VAL 66 9.926 -5.947 -8.139 545 2HG2 VAL 66 HG22 VAL 66 8.337 -5.494 -8.758 546 3HG2 VAL 66 HG23 VAL 66 9.161 -4.454 -7.596 547 H THR 67 HN THR 67 11.084 -1.211 -9.678 548 HA THR 67 HA THR 67 9.815 -0.427 -7.158 549 HB THR 67 HB THR 67 11.355 1.596 -7.101 550 HG1 THR 67 HG1 THR 67 13.462 0.555 -8.159 551 1HG2 THR 67 HG21 THR 67 12.415 -1.201 -6.632 552 2HG2 THR 67 HG22 THR 67 11.602 -0.158 -5.466 553 3HG2 THR 67 HG23 THR 67 13.215 0.258 -6.046 554 HA PRO 68 HA PRO 68 9.239 1.556 -6.299 555 1HB PRO 68 HB2 PRO 68 6.481 2.377 -6.254 556 2HB PRO 68 HB1 PRO 68 7.917 3.354 -5.916 557 1HG PRO 68 HG2 PRO 68 6.243 3.635 -8.102 558 2HG PRO 68 HG1 PRO 68 7.874 4.298 -7.952 559 1HD PRO 68 HD2 PRO 68 6.938 1.929 -9.483 560 2HD PRO 68 HD1 PRO 68 8.328 2.996 -9.787 561 H ALA 69 HN ALA 69 7.907 0.519 -4.563 562 HA ALA 69 HA ALA 69 6.079 -1.572 -5.483 563 1HB ALA 69 HB1 ALA 69 8.581 -2.190 -3.896 564 2HB ALA 69 HB2 ALA 69 8.328 -2.595 -5.594 565 3HB ALA 69 HB3 ALA 69 7.327 -3.343 -4.348 566 H LEU 70 HN LEU 70 4.817 -2.465 -3.798 567 HA LEU 70 HA LEU 70 4.995 -1.111 -1.186 568 1HB LEU 70 HB2 LEU 70 3.196 -0.184 -2.793 569 2HB LEU 70 HB1 LEU 70 2.367 -1.712 -2.522 570 HG LEU 70 HG LEU 70 3.290 0.082 -0.275 571 1HD1 LEU 70 HD11 LEU 70 1.295 0.688 -2.097 572 2HD1 LEU 70 HD12 LEU 70 1.400 1.315 -0.455 573 3HD1 LEU 70 HD13 LEU 70 0.409 -0.102 -0.792 574 1HD2 LEU 70 HD21 LEU 70 1.253 -1.369 0.696 575 2HD2 LEU 70 HD22 LEU 70 2.916 -1.954 0.724 576 3HD2 LEU 70 HD23 LEU 70 1.812 -2.491 -0.541 577 H VAL 71 HN VAL 71 5.007 -2.533 0.469 578 HA VAL 71 HA VAL 71 3.826 -5.193 -0.027 579 HB VAL 71 HB VAL 71 6.386 -4.665 1.485 580 1HG1 VAL 71 HG11 VAL 71 5.340 -7.308 0.474 581 2HG1 VAL 71 HG12 VAL 71 4.844 -6.678 2.044 582 3HG1 VAL 71 HG13 VAL 71 6.546 -7.007 1.725 583 1HG2 VAL 71 HG21 VAL 71 7.245 -4.466 -0.613 584 2HG2 VAL 71 HG22 VAL 71 5.794 -5.126 -1.367 585 3HG2 VAL 71 HG23 VAL 71 7.011 -6.212 -0.697 586 H LYS 72 HN LYS 72 2.438 -5.874 1.422 587 HA LYS 72 HA LYS 72 2.088 -4.374 3.920 588 1HB LYS 72 HB2 LYS 72 0.106 -4.827 2.502 589 2HB LYS 72 HB1 LYS 72 0.387 -6.558 2.676 590 1HG LYS 72 HG2 LYS 72 0.235 -4.920 5.171 591 2HG LYS 72 HG1 LYS 72 -1.270 -5.228 4.307 592 1HD LYS 72 HD2 LYS 72 -0.422 -7.721 4.281 593 2HD LYS 72 HD1 LYS 72 0.590 -7.188 5.623 594 1HE LYS 72 HE2 LYS 72 -1.353 -6.465 6.877 595 2HE LYS 72 HE1 LYS 72 -2.409 -6.784 5.500 596 1HZ LYS 72 HZ1 LYS 72 -2.394 -8.981 5.884 597 2HZ LYS 72 HZ2 LYS 72 -1.959 -8.529 7.462 598 3HZ LYS 72 HZ3 LYS 72 -0.765 -9.011 6.354 599 H ILE 73 HN ILE 73 2.901 -5.135 5.788 600 HA ILE 73 HA ILE 73 3.923 -7.888 5.788 601 HB ILE 73 HB ILE 73 4.941 -6.888 8.056 602 1HG1 ILE 73 HG12 ILE 73 3.623 -4.696 7.336 603 2HG1 ILE 73 HG11 ILE 73 5.228 -4.581 8.056 604 1HG2 ILE 73 HG21 ILE 73 6.911 -6.182 6.613 605 2HG2 ILE 73 HG22 ILE 73 5.895 -6.503 5.209 606 3HG2 ILE 73 HG23 ILE 73 6.311 -7.813 6.315 607 1HD1 ILE 73 HD11 ILE 73 4.915 -3.207 5.952 608 2HD1 ILE 73 HD12 ILE 73 4.753 -4.724 5.068 609 3HD1 ILE 73 HD13 ILE 73 6.264 -4.343 5.894 610 H GLY 74 HN GLY 74 1.431 -5.959 7.263 611 1HA GLY 74 HA2 GLY 74 -0.159 -7.885 8.172 612 2HA GLY 74 HA1 GLY 74 1.076 -7.906 9.421 613 HA PRO 75 HA PRO 75 -0.434 -8.398 10.940 614 1HB PRO 75 HB2 PRO 75 -3.220 -8.240 11.641 615 2HB PRO 75 HB1 PRO 75 -1.818 -8.308 12.718 616 1HG PRO 75 HG2 PRO 75 -3.497 -6.118 12.275 617 2HG PRO 75 HG1 PRO 75 -1.964 -6.127 13.152 618 1HD PRO 75 HD2 PRO 75 -2.561 -5.055 10.492 619 2HD PRO 75 HD1 PRO 75 -1.151 -4.765 11.533 620 H GLY 76 HN GLY 76 -1.583 -10.376 10.336 621 1HA GLY 76 HA2 GLY 76 -3.154 -11.560 8.967 622 2HA GLY 76 HA1 GLY 76 -3.288 -10.132 7.943 623 H SER 77 HN SER 77 -2.904 -11.771 6.216 624 HA SER 77 HA SER 77 -0.358 -13.043 5.987 625 1HB SER 77 HB2 SER 77 -2.023 -14.096 4.754 626 2HB SER 77 HB1 SER 77 -2.664 -12.581 4.124 627 HG SER 77 HG SER 77 -0.832 -12.399 2.838 628 H ARG 78 HN ARG 78 1.224 -12.635 4.341 629 HA ARG 78 HA ARG 78 1.751 -9.760 4.026 630 1HB ARG 78 HB2 ARG 78 3.502 -11.359 4.932 631 2HB ARG 78 HB1 ARG 78 3.576 -12.067 3.316 632 1HG ARG 78 HG2 ARG 78 4.059 -9.774 2.405 633 2HG ARG 78 HG1 ARG 78 4.158 -9.190 4.065 634 1HD ARG 78 HD2 ARG 78 5.913 -11.282 2.767 635 2HD ARG 78 HD1 ARG 78 6.400 -9.683 3.318 636 HE ARG 78 HE ARG 78 6.189 -10.450 5.581 637 1HH1 ARG 78 HH21 ARG 78 7.710 -12.672 3.990 638 2HH1 ARG 78 HH22 ARG 78 7.007 -14.090 4.696 639 1HH2 ARG 78 HH11 ARG 78 4.365 -12.376 6.147 640 2HH2 ARG 78 HH12 ARG 78 5.113 -13.920 5.919 641 H GLN 79 HN GLN 79 1.906 -8.764 2.048 642 HA GLN 79 HA GLN 79 1.653 -10.407 -0.374 643 1HB GLN 79 HB2 GLN 79 -0.171 -8.087 0.307 644 2HB GLN 79 HB1 GLN 79 -0.125 -8.928 -1.244 645 1HG GLN 79 HG2 GLN 79 -0.703 -11.048 -0.109 646 2HG GLN 79 HG1 GLN 79 -0.771 -10.196 1.433 647 1HE2 GLN 79 HE21 GLN 79 -2.898 -11.532 -0.486 648 2HE2 GLN 79 HE22 GLN 79 -4.134 -10.370 -0.521 649 H VAL 80 HN VAL 80 2.453 -9.397 -2.256 650 HA VAL 80 HA VAL 80 3.981 -6.919 -1.728 651 HB VAL 80 HB VAL 80 4.752 -9.218 -3.539 652 1HG1 VAL 80 HG11 VAL 80 6.822 -7.329 -2.738 653 2HG1 VAL 80 HG12 VAL 80 5.515 -6.532 -3.614 654 3HG1 VAL 80 HG13 VAL 80 6.377 -7.881 -4.352 655 1HG2 VAL 80 HG21 VAL 80 4.891 -9.075 -0.762 656 2HG2 VAL 80 HG22 VAL 80 6.496 -8.564 -1.284 657 3HG2 VAL 80 HG23 VAL 80 5.861 -10.131 -1.789 658 H LEU 81 HN LEU 81 3.435 -5.250 -2.937 659 HA LEU 81 HA LEU 81 2.137 -5.736 -5.555 660 1HB LEU 81 HB2 LEU 81 1.767 -3.234 -3.931 661 2HB LEU 81 HB1 LEU 81 0.746 -3.876 -5.213 662 HG LEU 81 HG LEU 81 1.129 -5.146 -2.485 663 1HD1 LEU 81 HD11 LEU 81 -1.304 -4.505 -2.247 664 2HD1 LEU 81 HD12 LEU 81 -1.123 -3.537 -3.710 665 3HD1 LEU 81 HD13 LEU 81 -0.189 -3.140 -2.268 666 1HD2 LEU 81 HD21 LEU 81 -0.660 -6.658 -3.195 667 2HD2 LEU 81 HD22 LEU 81 0.674 -6.753 -4.339 668 3HD2 LEU 81 HD23 LEU 81 -0.772 -5.829 -4.748 669 H SER 82 HN SER 82 3.287 -4.994 -7.263 670 HA SER 82 HA SER 82 4.872 -2.580 -7.002 671 1HB SER 82 HB2 SER 82 6.464 -4.198 -6.158 672 2HB SER 82 HB1 SER 82 6.194 -5.242 -7.549 673 HG SER 82 HG SER 82 6.898 -3.389 -8.830 674 H GLY 83 HN GLY 83 6.116 -2.169 -9.057 675 1HA GLY 83 HA2 GLY 83 6.264 -2.161 -11.397 676 2HA GLY 83 HA1 GLY 83 4.987 -3.369 -11.460 677 H ILE 84 HN ILE 84 5.278 -0.069 -10.179 678 HA ILE 84 HA ILE 84 3.790 1.683 -10.202 679 HB ILE 84 HB ILE 84 3.441 2.571 -12.380 680 1HG1 ILE 84 HG12 ILE 84 4.006 -0.171 -13.545 681 2HG1 ILE 84 HG11 ILE 84 2.370 0.440 -13.295 682 1HG2 ILE 84 HG21 ILE 84 5.870 0.790 -12.649 683 2HG2 ILE 84 HG22 ILE 84 5.828 2.178 -11.563 684 3HG2 ILE 84 HG23 ILE 84 5.643 2.413 -13.301 685 1HD1 ILE 84 HD11 ILE 84 2.708 1.153 -15.461 686 2HD1 ILE 84 HD12 ILE 84 4.451 1.323 -15.246 687 3HD1 ILE 84 HD13 ILE 84 3.359 2.546 -14.598 688 H ASP 85 HN ASP 85 2.628 -1.331 -10.367 689 HA ASP 85 HA ASP 85 -0.141 -0.551 -10.996 690 1HB ASP 85 HB2 ASP 85 -0.633 -2.926 -11.036 691 2HB ASP 85 HB1 ASP 85 0.787 -2.624 -12.035 692 H LEU 86 HN LEU 86 1.777 -0.267 -8.491 693 HA LEU 86 HA LEU 86 0.821 -1.571 -6.285 694 1HB LEU 86 HB2 LEU 86 1.469 1.381 -6.333 695 2HB LEU 86 HB1 LEU 86 1.632 0.266 -4.983 696 HG LEU 86 HG LEU 86 3.166 -1.035 -6.766 697 1HD1 LEU 86 HD11 LEU 86 4.196 1.639 -7.406 698 2HD1 LEU 86 HD12 LEU 86 2.635 1.308 -8.153 699 3HD1 LEU 86 HD13 LEU 86 4.001 0.234 -8.452 700 1HD2 LEU 86 HD21 LEU 86 5.069 0.522 -5.763 701 2HD2 LEU 86 HD22 LEU 86 4.162 -0.573 -4.723 702 3HD2 LEU 86 HD23 LEU 86 3.738 1.137 -4.784 703 H THR 87 HN THR 87 -0.481 1.465 -7.647 704 HA THR 87 HA THR 87 -2.564 1.697 -5.740 705 HB THR 87 HB THR 87 -3.517 3.370 -7.281 706 HG1 THR 87 HG1 THR 87 -3.114 3.171 -9.311 707 1HG2 THR 87 HG21 THR 87 -1.465 3.806 -5.807 708 2HG2 THR 87 HG22 THR 87 -1.728 4.925 -7.145 709 3HG2 THR 87 HG23 THR 87 -0.511 3.654 -7.282 710 H ASP 88 HN ASP 88 -2.432 0.183 -8.943 711 HA ASP 88 HA ASP 88 -5.235 -0.330 -9.082 712 1HB ASP 88 HB2 ASP 88 -2.873 -1.620 -10.467 713 2HB ASP 88 HB1 ASP 88 -4.555 -1.958 -10.857 714 H GLN 89 HN GLN 89 -2.411 -2.265 -8.154 715 HA GLN 89 HA GLN 89 -3.920 -4.580 -7.413 716 1HB GLN 89 HB2 GLN 89 -1.291 -4.110 -7.899 717 2HB GLN 89 HB1 GLN 89 -1.291 -4.112 -6.135 718 1HG GLN 89 HG2 GLN 89 -2.403 -6.302 -6.117 719 2HG GLN 89 HG1 GLN 89 -2.466 -6.297 -7.878 720 1HE2 GLN 89 HE21 GLN 89 0.376 -4.828 -7.507 721 2HE2 GLN 89 HE22 GLN 89 1.421 -6.161 -7.378 722 H LEU 90 HN LEU 90 -2.389 -1.922 -5.577 723 HA LEU 90 HA LEU 90 -3.083 -2.744 -3.005 724 1HB LEU 90 HB2 LEU 90 -1.566 -0.879 -3.421 725 2HB LEU 90 HB1 LEU 90 -2.888 0.067 -4.105 726 HG LEU 90 HG LEU 90 -4.089 -0.123 -1.916 727 1HD1 LEU 90 HD11 LEU 90 -3.287 -1.966 -0.776 728 2HD1 LEU 90 HD12 LEU 90 -2.310 -0.708 -0.017 729 3HD1 LEU 90 HD13 LEU 90 -1.624 -1.699 -1.304 730 1HD2 LEU 90 HD21 LEU 90 -1.323 1.107 -1.974 731 2HD2 LEU 90 HD22 LEU 90 -2.480 1.406 -0.677 732 3HD2 LEU 90 HD23 LEU 90 -2.858 1.899 -2.328 733 H ALA 91 HN ALA 91 -4.911 -0.635 -5.229 734 HA ALA 91 HA ALA 91 -7.111 -0.165 -3.553 735 1HB ALA 91 HB1 ALA 91 -6.550 0.950 -5.787 736 2HB ALA 91 HB2 ALA 91 -8.252 0.598 -5.487 737 3HB ALA 91 HB3 ALA 91 -7.308 -0.447 -6.550 738 H ASN 92 HN ASN 92 -6.368 -2.828 -5.730 739 HA ASN 92 HA ASN 92 -8.933 -4.111 -5.387 740 1HB ASN 92 HB2 ASN 92 -6.328 -4.966 -6.651 741 2HB ASN 92 HB1 ASN 92 -7.767 -5.974 -6.611 742 1HD2 ASN 92 HD21 ASN 92 -8.815 -2.792 -6.780 743 2HD2 ASN 92 HD22 ASN 92 -8.994 -2.662 -8.463 744 H GLN 93 HN GLN 93 -5.675 -4.421 -4.128 745 HA GLN 93 HA GLN 93 -6.161 -6.844 -2.684 746 1HB GLN 93 HB2 GLN 93 -3.935 -4.804 -2.591 747 2HB GLN 93 HB1 GLN 93 -3.941 -6.288 -1.641 748 1HG GLN 93 HG2 GLN 93 -4.285 -6.274 -4.643 749 2HG GLN 93 HG1 GLN 93 -2.712 -6.422 -3.867 750 1HE2 GLN 93 HE21 GLN 93 -5.027 -8.296 -5.247 751 2HE2 GLN 93 HE22 GLN 93 -4.843 -9.711 -4.333 752 H LEU 94 HN LEU 94 -6.305 -3.410 -1.956 753 HA LEU 94 HA LEU 94 -6.278 -3.460 0.812 754 1HB LEU 94 HB2 LEU 94 -6.273 -1.342 -0.135 755 2HB LEU 94 HB1 LEU 94 -7.629 -1.688 -1.192 756 HG LEU 94 HG LEU 94 -9.153 -1.739 0.734 757 1HD1 LEU 94 HD11 LEU 94 -8.299 -1.126 2.979 758 2HD1 LEU 94 HD12 LEU 94 -6.657 -1.096 2.336 759 3HD1 LEU 94 HD13 LEU 94 -7.553 -2.613 2.393 760 1HD2 LEU 94 HD21 LEU 94 -7.691 0.550 -0.190 761 2HD2 LEU 94 HD22 LEU 94 -8.019 0.755 1.530 762 3HD2 LEU 94 HD23 LEU 94 -9.349 0.480 0.406 763 HA PRO 95 HA PRO 95 -11.174 -4.061 0.759 764 1HB PRO 95 HB2 PRO 95 -11.681 -5.662 -1.572 765 2HB PRO 95 HB1 PRO 95 -12.335 -4.062 -1.190 766 1HG PRO 95 HG2 PRO 95 -10.176 -4.801 -3.000 767 2HG PRO 95 HG1 PRO 95 -11.113 -3.304 -2.912 768 1HD PRO 95 HD2 PRO 95 -8.475 -3.492 -2.168 769 2HD PRO 95 HD1 PRO 95 -9.611 -2.290 -1.514 770 H GLN 96 HN GLN 96 -9.096 -6.386 -0.943 771 HA GLN 96 HA GLN 96 -10.191 -8.757 0.079 772 1HB GLN 96 HB2 GLN 96 -7.348 -8.154 -0.771 773 2HB GLN 96 HB1 GLN 96 -8.006 -9.771 -0.514 774 1HG GLN 96 HG2 GLN 96 -9.697 -9.380 -2.250 775 2HG GLN 96 HG1 GLN 96 -9.086 -7.744 -2.490 776 1HE2 GLN 96 HE21 GLN 96 -9.100 -9.556 -4.665 777 2HE2 GLN 96 HE22 GLN 96 -7.499 -9.973 -5.045 778 H TRP 97 HN TRP 97 -7.813 -6.534 1.400 779 HA TRP 97 HA TRP 97 -6.916 -8.188 3.527 780 1HB TRP 97 HB2 TRP 97 -7.043 -5.162 3.425 781 2HB TRP 97 HB1 TRP 97 -6.032 -6.134 4.495 782 HD1 TRP 97 HD1 TRP 97 -5.820 -8.109 1.609 783 HE1 TRP 97 HE1 TRP 97 -3.836 -7.490 0.082 784 HE3 TRP 97 HE3 TRP 97 -4.717 -3.467 3.434 785 HZ2 TRP 97 HZ2 TRP 97 -2.027 -5.314 -0.314 786 HZ3 TRP 97 HZ3 TRP 97 -2.860 -2.144 2.463 787 HH2 TRP 97 HH2 TRP 97 -1.514 -3.062 0.592 788 H LEU 98 HN LEU 98 -9.342 -5.574 3.410 789 HA LEU 98 HA LEU 98 -10.233 -6.010 6.095 790 1HB LEU 98 HB2 LEU 98 -11.595 -4.566 3.810 791 2HB LEU 98 HB1 LEU 98 -11.986 -4.417 5.521 792 HG LEU 98 HG LEU 98 -9.355 -3.664 4.220 793 1HD1 LEU 98 HD11 LEU 98 -11.790 -2.243 4.521 794 2HD1 LEU 98 HD12 LEU 98 -10.228 -1.600 4.013 795 3HD1 LEU 98 HD13 LEU 98 -10.677 -1.583 5.719 796 1HD2 LEU 98 HD21 LEU 98 -9.081 -2.669 6.645 797 2HD2 LEU 98 HD22 LEU 98 -8.716 -4.369 6.353 798 3HD2 LEU 98 HD23 LEU 98 -10.258 -3.910 7.076 799 H VAL 99 HN VAL 99 -11.342 -6.943 2.880 800 HA VAL 99 HA VAL 99 -13.741 -8.232 3.751 801 HB VAL 99 HB VAL 99 -12.140 -8.591 1.202 802 1HG1 VAL 99 HG11 VAL 99 -15.083 -9.101 1.436 803 2HG1 VAL 99 HG12 VAL 99 -13.973 -10.344 2.011 804 3HG1 VAL 99 HG13 VAL 99 -13.909 -9.815 0.332 805 1HG2 VAL 99 HG21 VAL 99 -14.700 -7.049 1.410 806 2HG2 VAL 99 HG22 VAL 99 -13.351 -6.834 0.294 807 3HG2 VAL 99 HG23 VAL 99 -13.211 -6.281 1.963 808 H GLN 100 HN GLN 100 -10.417 -9.239 3.221 809 HA GLN 100 HA GLN 100 -9.302 -11.186 3.716 810 1HB GLN 100 HB2 GLN 100 -11.658 -11.525 5.590 811 2HB GLN 100 HB1 GLN 100 -10.206 -12.526 5.614 812 1HG GLN 100 HG2 GLN 100 -8.821 -10.546 6.047 813 2HG GLN 100 HG1 GLN 100 -10.249 -9.516 5.975 814 1HE2 GLN 100 HE21 GLN 100 -8.616 -9.661 8.333 815 2HE2 GLN 100 HE22 GLN 100 -9.530 -10.389 9.563 816 H GLN 101 HN GLN 101 -10.244 -13.759 4.286 817 HA GLN 101 HA GLN 101 -10.932 -15.649 3.166 818 1HB GLN 101 HB2 GLN 101 -13.164 -13.774 2.343 819 2HB GLN 101 HB1 GLN 101 -13.193 -15.529 2.160 820 1HG GLN 101 HG2 GLN 101 -12.894 -15.768 4.614 821 2HG GLN 101 HG1 GLN 101 -12.947 -14.014 4.774 822 1HE2 GLN 101 HE21 GLN 101 -14.965 -13.589 5.710 823 2HE2 GLN 101 HE22 GLN 101 -16.440 -14.192 5.122 824 H GLU 102 HN GLU 102 -9.048 -15.497 1.763 825 HA GLU 102 HA GLU 102 -8.836 -14.108 -0.611 826 1HB GLU 102 HB2 GLU 102 -7.900 -16.926 -0.017 827 2HB GLU 102 HB1 GLU 102 -7.353 -15.945 -1.379 828 1HG GLU 102 HG2 GLU 102 -6.561 -14.212 0.217 829 2HG GLU 102 HG1 GLU 102 -7.040 -15.254 1.557 830 H GLY 103 HN GLY 103 -9.450 -14.437 -2.724 831 1HA GLY 103 HA2 GLY 103 -11.927 -15.189 -3.426 832 2HA GLY 103 HA1 GLY 103 -10.568 -15.397 -4.527 833 H ILE 104 HN ILE 104 -12.706 -17.081 -4.724 834 HA ILE 104 HA ILE 104 -12.006 -19.555 -3.312 835 HB ILE 104 HB ILE 104 -14.308 -18.964 -5.191 836 1HG1 ILE 104 HG12 ILE 104 -14.266 -19.151 -2.162 837 2HG1 ILE 104 HG11 ILE 104 -14.296 -17.631 -3.058 838 1HG2 ILE 104 HG21 ILE 104 -13.952 -21.315 -5.160 839 2HG2 ILE 104 HG22 ILE 104 -15.226 -21.032 -3.975 840 3HG2 ILE 104 HG23 ILE 104 -13.570 -21.313 -3.439 841 1HD1 ILE 104 HD11 ILE 104 -16.458 -18.023 -3.898 842 2HD1 ILE 104 HD12 ILE 104 -16.561 -18.634 -2.246 843 3HD1 ILE 104 HD13 ILE 104 -16.362 -19.758 -3.590 844 H PHE 105 HN PHE 105 -11.000 -21.223 -4.262 845 HA PHE 105 HA PHE 105 -10.711 -21.226 -7.197 846 1HB PHE 105 HB2 PHE 105 -8.338 -21.761 -6.986 847 2HB PHE 105 HB1 PHE 105 -8.681 -20.224 -6.191 848 HD1 PHE 105 HD1 PHE 105 -7.669 -23.705 -5.727 849 HD2 PHE 105 HD2 PHE 105 -8.825 -20.090 -3.712 850 HE1 PHE 105 HE1 PHE 105 -6.782 -24.609 -3.595 851 HE2 PHE 105 HE2 PHE 105 -7.938 -20.996 -1.579 852 HZ PHE 105 HZ PHE 105 -6.918 -23.255 -1.522
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