NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
467363 | 2kw9 | 16816 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -8.237 -51.524 -36.974 2 H2 MET 1 2H MET 1 -7.919 -52.477 -38.334 3 H3 MET 1 3H MET 1 -8.956 -51.145 -38.458 4 HA MET 1 HA MET 1 -6.042 -51.077 -37.911 5 HB2 MET 1 2HB MET 1 -7.618 -50.045 -40.288 6 HB3 MET 1 3HB MET 1 -5.874 -49.941 -40.076 7 HG2 MET 1 2HG MET 1 -7.493 -52.457 -40.411 8 HG3 MET 1 3HG MET 1 -6.427 -51.721 -41.607 9 HE1 MET 1 3HE MET 1 -2.896 -52.242 -39.993 10 HE2 MET 1 1HE MET 1 -3.928 -50.820 -39.839 11 HE3 MET 1 2HE MET 1 -3.784 -51.642 -41.393 12 H GLY 2 H GLY 2 -5.283 -49.260 -36.951 13 HA2 GLY 2 2HA GLY 2 -6.841 -46.791 -37.004 14 HA3 GLY 2 3HA GLY 2 -6.656 -47.553 -35.432 15 H HIS 3 H HIS 3 -5.749 -45.078 -35.575 16 HA HIS 3 HA HIS 3 -3.010 -44.924 -36.485 17 HB2 HIS 3 2HB HIS 3 -3.104 -42.606 -35.479 18 HB3 HIS 3 3HB HIS 3 -4.284 -42.929 -36.742 19 HD1 HIS 3 HD1 HIS 3 -6.767 -42.945 -36.073 20 HD2 HIS 3 HD2 HIS 3 -4.190 -42.188 -32.906 21 HE1 HIS 3 HE1 HIS 3 -8.221 -42.093 -34.220 22 HE2 HIS 3 HE2 HIS 3 -6.614 -41.455 -32.388 23 H HIS 4 H HIS 4 -2.152 -46.669 -35.170 24 HA HIS 4 HA HIS 4 -1.965 -46.173 -32.291 25 HB2 HIS 4 2HB HIS 4 -0.840 -48.444 -32.265 26 HB3 HIS 4 3HB HIS 4 -2.515 -48.425 -32.797 27 HD1 HIS 4 HD1 HIS 4 -2.946 -48.840 -35.356 28 HD2 HIS 4 HD2 HIS 4 0.990 -49.378 -34.129 29 HE1 HIS 4 HE1 HIS 4 -1.816 -50.057 -37.236 30 HE2 HIS 4 HE2 HIS 4 0.591 -50.237 -36.537 31 H HIS 5 H HIS 5 -0.480 -44.641 -31.836 32 HA HIS 5 HA HIS 5 2.311 -45.261 -32.223 33 HB2 HIS 5 2HB HIS 5 2.902 -43.157 -33.367 34 HB3 HIS 5 3HB HIS 5 1.856 -44.163 -34.361 35 HD1 HIS 5 HD1 HIS 5 2.079 -40.845 -32.771 36 HD2 HIS 5 HD2 HIS 5 -0.819 -43.167 -34.631 37 HE1 HIS 5 HE1 HIS 5 0.188 -39.281 -33.276 38 HE2 HIS 5 HE2 HIS 5 -1.482 -40.672 -34.536 39 H HIS 6 H HIS 6 3.666 -44.156 -30.755 40 HA HIS 6 HA HIS 6 2.380 -42.220 -28.956 41 HB2 HIS 6 2HB HIS 6 3.113 -43.468 -26.962 42 HB3 HIS 6 3HB HIS 6 1.973 -44.394 -27.929 43 HD1 HIS 6 HD1 HIS 6 2.954 -46.432 -29.269 44 HD2 HIS 6 HD2 HIS 6 5.612 -44.623 -26.640 45 HE1 HIS 6 HE1 HIS 6 4.870 -48.033 -29.041 46 HE2 HIS 6 HE2 HIS 6 6.524 -46.858 -27.560 47 H HIS 7 H HIS 7 3.676 -40.584 -28.420 48 HA HIS 7 HA HIS 7 6.360 -40.815 -27.620 49 HB2 HIS 7 2HB HIS 7 6.644 -41.168 -30.126 50 HB3 HIS 7 3HB HIS 7 6.112 -39.503 -30.342 51 HD1 HIS 7 HD1 HIS 7 7.727 -37.627 -29.461 52 HD2 HIS 7 HD2 HIS 7 9.269 -41.479 -29.266 53 HE1 HIS 7 HE1 HIS 7 10.180 -37.349 -29.035 54 HE2 HIS 7 HE2 HIS 7 11.116 -39.677 -29.085 55 H HIS 8 H HIS 8 6.947 -38.978 -26.488 56 HA HIS 8 HA HIS 8 5.668 -36.422 -27.012 57 HB2 HIS 8 2HB HIS 8 4.043 -37.765 -25.604 58 HB3 HIS 8 3HB HIS 8 5.244 -37.751 -24.320 59 HD1 HIS 8 HD1 HIS 8 2.634 -35.677 -25.935 60 HD2 HIS 8 HD2 HIS 8 5.642 -35.195 -23.103 61 HE1 HIS 8 HE1 HIS 8 2.146 -33.496 -24.798 62 HE2 HIS 8 HE2 HIS 8 4.038 -33.168 -23.179 63 H SER 9 H SER 9 6.796 -34.660 -26.112 64 HA SER 9 HA SER 9 8.920 -35.152 -24.162 65 HB2 SER 9 2HB SER 9 10.689 -34.151 -25.507 66 HB3 SER 9 3HB SER 9 10.005 -35.528 -26.370 67 HG SER 9 HG SER 9 9.461 -34.234 -27.928 68 H HIS 10 H HIS 10 9.847 -33.162 -23.273 69 HA HIS 10 HA HIS 10 8.971 -30.568 -23.954 70 HB2 HIS 10 2HB HIS 10 7.446 -30.049 -22.126 71 HB3 HIS 10 3HB HIS 10 6.792 -31.397 -23.050 72 HD1 HIS 10 HD1 HIS 10 7.907 -30.431 -19.672 73 HD2 HIS 10 HD2 HIS 10 6.990 -33.938 -21.703 74 HE1 HIS 10 HE1 HIS 10 7.654 -32.189 -17.897 75 HE2 HIS 10 HE2 HIS 10 6.918 -34.250 -19.138 76 H MET 11 H MET 11 9.970 -28.946 -22.632 77 HA MET 11 HA MET 11 11.372 -29.733 -20.219 78 HB2 MET 11 2HB MET 11 12.969 -30.363 -22.000 79 HB3 MET 11 3HB MET 11 12.947 -28.706 -22.593 80 HG2 MET 11 2HG MET 11 14.921 -29.242 -21.192 81 HG3 MET 11 3HG MET 11 13.955 -27.903 -20.568 82 HE1 MET 11 3HE MET 11 14.966 -28.016 -18.143 83 HE2 MET 11 1HE MET 11 16.073 -29.276 -18.689 84 HE3 MET 11 2HE MET 11 15.132 -29.506 -17.215 85 H SER 12 H SER 12 12.102 -27.979 -18.942 86 HA SER 12 HA SER 12 11.747 -25.245 -19.790 87 HB2 SER 12 2HB SER 12 9.983 -24.735 -18.062 88 HB3 SER 12 3HB SER 12 9.413 -25.739 -19.399 89 HG SER 12 HG SER 12 10.334 -26.807 -16.933 90 H THR 13 H THR 13 13.487 -24.321 -18.902 91 HA THR 13 HA THR 13 14.514 -25.260 -16.312 92 HB THR 13 HB THR 13 16.552 -23.994 -16.847 93 HG1 THR 13 HG1 THR 13 15.292 -22.392 -18.178 94 HG21 THR 13 3HG2 THR 13 17.291 -25.282 -18.815 95 HG22 THR 13 1HG2 THR 13 15.616 -25.722 -19.148 96 HG23 THR 13 2HG2 THR 13 16.402 -26.288 -17.675 97 HA PRO 14 HA PRO 14 12.969 -21.661 -14.084 98 HB2 PRO 14 2HB PRO 14 15.399 -22.089 -12.410 99 HB3 PRO 14 3HB PRO 14 13.701 -21.986 -11.927 100 HG2 PRO 14 2HG PRO 14 14.956 -24.334 -11.959 101 HG3 PRO 14 3HG PRO 14 13.270 -24.202 -12.492 102 HD2 PRO 14 2HD PRO 14 15.767 -24.426 -14.142 103 HD3 PRO 14 3HD PRO 14 14.184 -25.198 -14.380 104 H LEU 15 H LEU 15 13.249 -19.609 -14.774 105 HA LEU 15 HA LEU 15 15.915 -18.744 -15.679 106 HB2 LEU 15 2HB LEU 15 13.198 -17.521 -16.183 107 HB3 LEU 15 3HB LEU 15 14.710 -16.960 -16.871 108 HG LEU 15 HG LEU 15 13.389 -19.627 -17.421 109 HD11 LEU 15 1HD1 LEU 15 12.242 -17.740 -18.476 110 HD12 LEU 15 2HD1 LEU 15 13.050 -18.753 -19.673 111 HD13 LEU 15 3HD1 LEU 15 13.765 -17.212 -19.197 112 HD21 LEU 15 3HD2 LEU 15 15.938 -18.449 -18.536 113 HD22 LEU 15 1HD2 LEU 15 15.149 -19.914 -19.119 114 HD23 LEU 15 2HD2 LEU 15 15.805 -19.858 -17.485 115 H THR 16 H THR 16 16.414 -16.362 -15.379 116 HA THR 16 HA THR 16 15.892 -15.578 -12.602 117 HB THR 16 HB THR 16 18.233 -15.589 -13.375 118 HG1 THR 16 HG1 THR 16 18.665 -13.836 -12.213 119 HG21 THR 16 3HG2 THR 16 17.891 -14.976 -15.721 120 HG22 THR 16 1HG2 THR 16 19.033 -13.880 -14.944 121 HG23 THR 16 2HG2 THR 16 17.372 -13.363 -15.233 122 H GLY 17 H GLY 17 16.200 -12.796 -12.752 123 HA2 GLY 17 2HA GLY 17 15.015 -10.852 -13.358 124 HA3 GLY 17 3HA GLY 17 14.003 -11.819 -14.426 125 H LYS 18 H LYS 18 14.394 -10.584 -11.188 126 HA LYS 18 HA LYS 18 11.918 -11.923 -10.329 127 HB2 LYS 18 2HB LYS 18 13.021 -12.653 -8.245 128 HB3 LYS 18 3HB LYS 18 13.767 -13.372 -9.669 129 HG2 LYS 18 2HG LYS 18 15.488 -11.512 -9.543 130 HG3 LYS 18 3HG LYS 18 14.823 -11.125 -7.959 131 HD2 LYS 18 2HD LYS 18 16.039 -13.763 -8.793 132 HD3 LYS 18 3HD LYS 18 16.794 -12.552 -7.760 133 HE2 LYS 18 2HE LYS 18 14.946 -12.866 -6.126 134 HE3 LYS 18 3HE LYS 18 14.312 -14.161 -7.145 135 HZ1 LYS 18 3HZ LYS 18 16.927 -14.098 -5.748 136 HZ2 LYS 18 1HZ LYS 18 16.499 -15.276 -6.884 137 HZ3 LYS 18 2HZ LYS 18 15.630 -15.139 -5.445 138 HA PRO 19 HA PRO 19 11.398 -8.056 -8.027 139 HB2 PRO 19 2HB PRO 19 9.069 -8.624 -6.828 140 HB3 PRO 19 3HB PRO 19 9.147 -8.355 -8.575 141 HG2 PRO 19 2HG PRO 19 9.015 -10.940 -7.063 142 HG3 PRO 19 3HG PRO 19 8.159 -10.465 -8.541 143 HD2 PRO 19 2HD PRO 19 10.454 -12.006 -8.491 144 HD3 PRO 19 3HD PRO 19 9.920 -11.044 -9.883 145 H GLY 20 H GLY 20 10.192 -7.991 -5.488 146 HA2 GLY 20 2HA GLY 20 10.924 -9.913 -3.621 147 HA3 GLY 20 3HA GLY 20 12.313 -8.849 -3.780 148 H ALA 21 H ALA 21 12.252 -6.816 -2.872 149 HA ALA 21 HA ALA 21 10.320 -6.410 -0.779 150 HB1 ALA 21 3HB ALA 21 12.578 -4.624 -1.688 151 HB2 ALA 21 1HB ALA 21 12.689 -5.875 -0.451 152 HB3 ALA 21 2HB ALA 21 11.664 -4.464 -0.188 153 H LEU 22 H LEU 22 8.980 -4.555 -0.498 154 HA LEU 22 HA LEU 22 7.586 -3.753 -2.851 155 HB2 LEU 22 2HB LEU 22 7.408 -2.672 -0.030 156 HB3 LEU 22 3HB LEU 22 6.253 -2.355 -1.312 157 HG LEU 22 HG LEU 22 6.800 -5.045 -0.034 158 HD11 LEU 22 1HD1 LEU 22 5.537 -3.531 1.409 159 HD12 LEU 22 2HD1 LEU 22 4.523 -4.848 0.825 160 HD13 LEU 22 3HD1 LEU 22 4.379 -3.245 0.110 161 HD21 LEU 22 3HD2 LEU 22 4.822 -4.305 -2.195 162 HD22 LEU 22 1HD2 LEU 22 4.938 -5.871 -1.389 163 HD23 LEU 22 2HD2 LEU 22 6.264 -5.300 -2.403 164 HA PRO 23 HA PRO 23 9.620 0.020 -4.070 165 HB2 PRO 23 2HB PRO 23 6.970 1.365 -4.144 166 HB3 PRO 23 3HB PRO 23 8.152 1.139 -5.437 167 HG2 PRO 23 2HG PRO 23 5.884 -0.271 -5.394 168 HG3 PRO 23 3HG PRO 23 7.410 -1.009 -5.919 169 HD2 PRO 23 2HD PRO 23 5.990 -1.264 -3.288 170 HD3 PRO 23 3HD PRO 23 6.806 -2.514 -4.251 171 H ALA 24 H ALA 24 10.703 1.414 -2.779 172 HA ALA 24 HA ALA 24 9.695 2.102 -0.165 173 HB1 ALA 24 3HB ALA 24 11.863 3.172 0.166 174 HB2 ALA 24 1HB ALA 24 12.235 2.979 -1.548 175 HB3 ALA 24 2HB ALA 24 12.057 1.558 -0.518 176 H ASN 25 H ASN 25 9.101 3.441 -3.136 177 HA ASN 25 HA ASN 25 8.960 6.205 -2.139 178 HB2 ASN 25 2HB ASN 25 8.722 5.101 -4.949 179 HB3 ASN 25 3HB ASN 25 8.591 6.810 -4.528 180 HD21 ASN 25 1HD2 ASN 25 10.448 7.865 -3.670 181 HD22 ASN 25 2HD2 ASN 25 12.033 7.257 -3.994 182 H LEU 26 H LEU 26 7.036 4.144 -1.290 183 HA LEU 26 HA LEU 26 4.548 4.375 -2.537 184 HB2 LEU 26 2HB LEU 26 5.137 4.075 0.414 185 HB3 LEU 26 3HB LEU 26 3.578 3.788 -0.336 186 HG LEU 26 HG LEU 26 6.103 2.207 -0.855 187 HD11 LEU 26 1HD1 LEU 26 5.176 1.767 1.349 188 HD12 LEU 26 2HD1 LEU 26 4.935 0.382 0.285 189 HD13 LEU 26 3HD1 LEU 26 3.588 1.465 0.639 190 HD21 LEU 26 3HD2 LEU 26 4.724 2.314 -2.854 191 HD22 LEU 26 1HD2 LEU 26 3.304 1.826 -1.930 192 HD23 LEU 26 2HD2 LEU 26 4.647 0.703 -2.148 193 H ASP 27 H ASP 27 5.991 6.396 0.003 194 HA ASP 27 HA ASP 27 3.846 8.185 0.355 195 HB2 ASP 27 2HB ASP 27 6.807 8.736 0.686 196 HB3 ASP 27 3HB ASP 27 5.489 9.641 1.427 197 H ASP 28 H ASP 28 6.399 8.069 -2.041 198 HA ASP 28 HA ASP 28 6.072 10.758 -2.981 199 HB2 ASP 28 2HB ASP 28 7.452 8.377 -4.246 200 HB3 ASP 28 3HB ASP 28 7.572 10.040 -4.819 201 H MET 29 H MET 29 4.463 7.763 -3.650 202 HA MET 29 HA MET 29 3.544 8.602 -6.278 203 HB2 MET 29 2HB MET 29 2.910 6.139 -4.643 204 HB3 MET 29 3HB MET 29 2.298 6.441 -6.264 205 HG2 MET 29 2HG MET 29 4.683 6.576 -7.039 206 HG3 MET 29 3HG MET 29 5.157 6.010 -5.436 207 HE1 MET 29 3HE MET 29 3.384 2.478 -5.342 208 HE2 MET 29 1HE MET 29 2.700 4.016 -4.811 209 HE3 MET 29 2HE MET 29 4.376 3.620 -4.438 210 H LYS 30 H LYS 30 1.075 7.996 -6.634 211 HA LYS 30 HA LYS 30 -0.419 9.944 -5.085 212 HB2 LYS 30 2HB LYS 30 -1.364 8.234 -7.401 213 HB3 LYS 30 3HB LYS 30 -2.115 9.702 -6.794 214 HG2 LYS 30 2HG LYS 30 -0.410 11.072 -7.661 215 HG3 LYS 30 3HG LYS 30 0.677 9.704 -7.901 216 HD2 LYS 30 2HD LYS 30 -0.198 10.418 -10.037 217 HD3 LYS 30 3HD LYS 30 -0.843 8.827 -9.637 218 HE2 LYS 30 2HE LYS 30 -2.944 9.845 -8.923 219 HE3 LYS 30 3HE LYS 30 -2.303 11.450 -9.278 220 HZ1 LYS 30 3HZ LYS 30 -2.757 9.271 -11.249 221 HZ2 LYS 30 1HZ LYS 30 -2.088 10.783 -11.607 222 HZ3 LYS 30 2HZ LYS 30 -3.689 10.672 -11.082 223 H VAL 31 H VAL 31 -2.556 9.469 -4.207 224 HA VAL 31 HA VAL 31 -2.685 7.258 -2.497 225 HB VAL 31 HB VAL 31 -5.019 8.885 -3.548 226 HG11 VAL 31 1HG1 VAL 31 -5.735 6.811 -2.460 227 HG12 VAL 31 2HG1 VAL 31 -6.165 8.219 -1.492 228 HG13 VAL 31 3HG1 VAL 31 -4.783 7.224 -1.033 229 HG21 VAL 31 3HG2 VAL 31 -3.328 10.336 -2.572 230 HG22 VAL 31 1HG2 VAL 31 -3.271 9.333 -1.123 231 HG23 VAL 31 2HG2 VAL 31 -4.729 10.242 -1.508 232 H ALA 32 H ALA 32 -4.112 7.769 -5.695 233 HA ALA 32 HA ALA 32 -5.629 5.445 -5.948 234 HB1 ALA 32 3HB ALA 32 -5.737 7.306 -7.531 235 HB2 ALA 32 1HB ALA 32 -5.444 5.781 -8.365 236 HB3 ALA 32 2HB ALA 32 -4.118 6.914 -8.112 237 H GLU 33 H GLU 33 -2.182 5.950 -6.697 238 HA GLU 33 HA GLU 33 -1.652 3.428 -7.809 239 HB2 GLU 33 2HB GLU 33 0.371 4.936 -6.150 240 HB3 GLU 33 3HB GLU 33 0.654 3.909 -7.547 241 HG2 GLU 33 2HG GLU 33 -0.496 6.685 -7.493 242 HG3 GLU 33 3HG GLU 33 1.012 6.151 -8.226 243 H LEU 34 H LEU 34 -1.513 4.558 -4.454 244 HA LEU 34 HA LEU 34 -0.590 2.174 -3.256 245 HB2 LEU 34 2HB LEU 34 -2.436 4.265 -2.081 246 HB3 LEU 34 3HB LEU 34 -1.490 3.097 -1.174 247 HG LEU 34 HG LEU 34 -0.327 5.303 -2.888 248 HD11 LEU 34 1HD1 LEU 34 0.265 6.379 -0.784 249 HD12 LEU 34 2HD1 LEU 34 -0.557 5.104 0.113 250 HD13 LEU 34 3HD1 LEU 34 -1.482 6.190 -0.925 251 HD21 LEU 34 3HD2 LEU 34 1.794 4.708 -1.811 252 HD22 LEU 34 1HD2 LEU 34 1.139 3.356 -2.738 253 HD23 LEU 34 2HD2 LEU 34 0.996 3.372 -0.979 254 H LYS 35 H LYS 35 -3.888 3.389 -3.819 255 HA LYS 35 HA LYS 35 -5.301 1.201 -2.763 256 HB2 LYS 35 2HB LYS 35 -6.088 3.050 -5.032 257 HB3 LYS 35 3HB LYS 35 -7.189 1.999 -4.150 258 HG2 LYS 35 2HG LYS 35 -6.876 3.246 -2.127 259 HG3 LYS 35 3HG LYS 35 -5.571 4.187 -2.850 260 HD2 LYS 35 2HD LYS 35 -7.500 5.577 -2.850 261 HD3 LYS 35 3HD LYS 35 -7.249 5.056 -4.515 262 HE2 LYS 35 2HE LYS 35 -9.570 4.879 -4.120 263 HE3 LYS 35 3HE LYS 35 -8.951 3.230 -4.062 264 HZ1 LYS 35 3HZ LYS 35 -8.937 3.406 -1.619 265 HZ2 LYS 35 1HZ LYS 35 -10.485 3.605 -2.267 266 HZ3 LYS 35 2HZ LYS 35 -9.618 4.948 -1.733 267 H GLN 36 H GLN 36 -3.854 1.708 -5.943 268 HA GLN 36 HA GLN 36 -4.881 -0.589 -7.226 269 HB2 GLN 36 2HB GLN 36 -3.771 1.287 -8.408 270 HB3 GLN 36 3HB GLN 36 -2.234 0.812 -7.697 271 HG2 GLN 36 2HG GLN 36 -2.369 0.034 -9.978 272 HG3 GLN 36 3HG GLN 36 -2.364 -1.342 -8.877 273 HE21 GLN 36 1HE2 GLN 36 -3.341 -2.687 -10.401 274 HE22 GLN 36 2HE2 GLN 36 -5.001 -2.529 -10.837 275 H GLU 37 H GLU 37 -1.768 -0.082 -5.550 276 HA GLU 37 HA GLU 37 -0.799 -2.698 -5.721 277 HB2 GLU 37 2HB GLU 37 -0.339 -0.515 -3.688 278 HB3 GLU 37 3HB GLU 37 0.493 -2.061 -3.597 279 HG2 GLU 37 2HG GLU 37 0.613 -0.193 -5.965 280 HG3 GLU 37 3HG GLU 37 1.818 -0.265 -4.679 281 H LEU 38 H LEU 38 -2.930 -1.240 -3.291 282 HA LEU 38 HA LEU 38 -3.026 -3.440 -1.524 283 HB2 LEU 38 2HB LEU 38 -5.004 -1.231 -2.060 284 HB3 LEU 38 3HB LEU 38 -5.211 -2.412 -0.781 285 HG LEU 38 HG LEU 38 -2.885 -0.482 -0.981 286 HD11 LEU 38 1HD1 LEU 38 -5.322 -0.414 0.798 287 HD12 LEU 38 2HD1 LEU 38 -4.991 0.680 -0.547 288 HD13 LEU 38 3HD1 LEU 38 -3.947 0.689 0.875 289 HD21 LEU 38 3HD2 LEU 38 -2.314 -2.548 0.200 290 HD22 LEU 38 1HD2 LEU 38 -3.727 -2.360 1.236 291 HD23 LEU 38 2HD2 LEU 38 -2.410 -1.190 1.317 292 H LYS 39 H LYS 39 -5.383 -2.476 -4.066 293 HA LYS 39 HA LYS 39 -7.198 -4.541 -3.624 294 HB2 LYS 39 2HB LYS 39 -8.097 -4.086 -5.845 295 HB3 LYS 39 3HB LYS 39 -7.713 -2.581 -5.016 296 HG2 LYS 39 2HG LYS 39 -5.704 -2.316 -6.329 297 HG3 LYS 39 3HG LYS 39 -5.942 -3.896 -7.075 298 HD2 LYS 39 2HD LYS 39 -6.628 -2.149 -8.603 299 HD3 LYS 39 3HD LYS 39 -8.030 -3.084 -8.091 300 HE2 LYS 39 2HE LYS 39 -8.628 -1.330 -6.494 301 HE3 LYS 39 3HE LYS 39 -7.204 -0.403 -6.969 302 HZ1 LYS 39 3HZ LYS 39 -8.108 -0.219 -9.199 303 HZ2 LYS 39 1HZ LYS 39 -9.203 0.400 -8.069 304 HZ3 LYS 39 2HZ LYS 39 -9.464 -1.121 -8.756 305 H LEU 40 H LEU 40 -4.337 -4.532 -5.736 306 HA LEU 40 HA LEU 40 -4.847 -7.032 -6.976 307 HB2 LEU 40 2HB LEU 40 -2.224 -5.590 -6.537 308 HB3 LEU 40 3HB LEU 40 -2.446 -6.969 -7.598 309 HG LEU 40 HG LEU 40 -3.743 -4.256 -7.941 310 HD11 LEU 40 1HD1 LEU 40 -1.371 -4.192 -8.439 311 HD12 LEU 40 2HD1 LEU 40 -2.306 -4.092 -9.931 312 HD13 LEU 40 3HD1 LEU 40 -1.527 -5.608 -9.479 313 HD21 LEU 40 3HD2 LEU 40 -5.188 -6.057 -8.743 314 HD22 LEU 40 1HD2 LEU 40 -3.861 -6.708 -9.706 315 HD23 LEU 40 2HD2 LEU 40 -4.537 -5.125 -10.088 316 H ARG 41 H ARG 41 -3.603 -6.224 -3.857 317 HA ARG 41 HA ARG 41 -2.604 -8.968 -3.434 318 HB2 ARG 41 2HB ARG 41 -2.248 -6.550 -1.648 319 HB3 ARG 41 3HB ARG 41 -1.414 -8.094 -1.516 320 HG2 ARG 41 2HG ARG 41 -0.297 -7.678 -3.660 321 HG3 ARG 41 3HG ARG 41 -1.144 -6.139 -3.795 322 HD2 ARG 41 2HD ARG 41 -0.065 -5.522 -1.574 323 HD3 ARG 41 3HD ARG 41 0.970 -6.932 -1.805 324 HE ARG 41 HE ARG 41 0.981 -4.469 -3.373 325 HH11 ARG 41 1HH1 ARG 41 2.247 -7.654 -2.942 326 HH12 ARG 41 2HH1 ARG 41 3.661 -7.328 -3.882 327 HH21 ARG 41 1HH2 ARG 41 2.810 -4.078 -4.569 328 HH22 ARG 41 2HH2 ARG 41 3.971 -5.342 -4.779 329 H SER 42 H SER 42 -5.483 -7.859 -3.388 330 HA SER 42 HA SER 42 -7.433 -8.399 -2.350 331 HB2 SER 42 2HB SER 42 -6.469 -10.665 -2.165 332 HB3 SER 42 3HB SER 42 -5.727 -10.220 -0.629 333 HG SER 42 HG SER 42 -7.538 -10.680 0.295 334 H LEU 43 H LEU 43 -5.451 -6.340 -1.217 335 HA LEU 43 HA LEU 43 -6.267 -6.167 1.579 336 HB2 LEU 43 2HB LEU 43 -4.407 -4.516 -0.130 337 HB3 LEU 43 3HB LEU 43 -4.770 -4.128 1.541 338 HG LEU 43 HG LEU 43 -3.578 -6.781 0.725 339 HD11 LEU 43 1HD1 LEU 43 -2.121 -4.285 1.607 340 HD12 LEU 43 2HD1 LEU 43 -2.057 -5.010 -0.000 341 HD13 LEU 43 3HD1 LEU 43 -1.400 -5.881 1.385 342 HD21 LEU 43 3HD2 LEU 43 -2.907 -6.855 3.084 343 HD22 LEU 43 1HD2 LEU 43 -4.657 -6.717 2.912 344 HD23 LEU 43 2HD2 LEU 43 -3.701 -5.302 3.355 345 HA PRO 44 HA PRO 44 -9.582 -3.248 0.831 346 HB2 PRO 44 2HB PRO 44 -9.661 -2.050 3.284 347 HB3 PRO 44 3HB PRO 44 -10.317 -3.657 2.961 348 HG2 PRO 44 2HG PRO 44 -7.682 -2.899 4.169 349 HG3 PRO 44 3HG PRO 44 -8.821 -4.165 4.669 350 HD2 PRO 44 2HD PRO 44 -6.599 -4.714 3.232 351 HD3 PRO 44 3HD PRO 44 -8.103 -5.633 3.033 352 H VAL 45 H VAL 45 -9.635 -1.297 -0.100 353 HA VAL 45 HA VAL 45 -7.272 0.435 0.084 354 HB VAL 45 HB VAL 45 -8.131 1.489 -1.967 355 HG11 VAL 45 1HG1 VAL 45 -7.878 -0.439 -3.470 356 HG12 VAL 45 2HG1 VAL 45 -8.100 -1.532 -2.103 357 HG13 VAL 45 3HG1 VAL 45 -6.689 -0.475 -2.168 358 HG21 VAL 45 3HG2 VAL 45 -10.113 0.583 -3.107 359 HG22 VAL 45 1HG2 VAL 45 -10.535 1.268 -1.539 360 HG23 VAL 45 2HG2 VAL 45 -10.416 -0.481 -1.733 361 H SER 46 H SER 46 -8.966 0.545 2.325 362 HA SER 46 HA SER 46 -11.038 2.517 1.971 363 HB2 SER 46 2HB SER 46 -10.065 1.221 4.527 364 HB3 SER 46 3HB SER 46 -11.587 2.085 4.300 365 HG SER 46 HG SER 46 -12.102 0.449 2.698 366 H GLY 47 H GLY 47 -8.143 2.433 4.125 367 HA2 GLY 47 2HA GLY 47 -8.799 4.916 5.323 368 HA3 GLY 47 3HA GLY 47 -7.295 4.046 5.518 369 H THR 48 H THR 48 -6.607 6.349 5.689 370 HA THR 48 HA THR 48 -6.529 8.019 3.361 371 HB THR 48 HB THR 48 -5.101 9.498 4.681 372 HG1 THR 48 HG1 THR 48 -4.082 8.838 6.473 373 HG21 THR 48 3HG2 THR 48 -7.313 8.303 6.364 374 HG22 THR 48 1HG2 THR 48 -7.500 9.576 5.158 375 HG23 THR 48 2HG2 THR 48 -6.563 9.879 6.619 376 H LYS 49 H LYS 49 -4.245 8.989 2.776 377 HA LYS 49 HA LYS 49 -2.866 7.147 1.265 378 HB2 LYS 49 2HB LYS 49 -2.693 9.604 1.011 379 HB3 LYS 49 3HB LYS 49 -1.703 9.672 2.462 380 HG2 LYS 49 2HG LYS 49 -0.002 8.284 1.359 381 HG3 LYS 49 3HG LYS 49 -0.993 8.237 -0.098 382 HD2 LYS 49 2HD LYS 49 -0.833 10.716 -0.225 383 HD3 LYS 49 3HD LYS 49 0.259 10.684 1.160 384 HE2 LYS 49 2HE LYS 49 1.823 9.288 -0.122 385 HE3 LYS 49 3HE LYS 49 0.732 9.341 -1.506 386 HZ1 LYS 49 3HZ LYS 49 2.113 11.662 -0.275 387 HZ2 LYS 49 1HZ LYS 49 1.011 11.761 -1.552 388 HZ3 LYS 49 2HZ LYS 49 2.484 10.956 -1.765 389 H THR 50 H THR 50 -1.783 8.419 4.441 390 HA THR 50 HA THR 50 0.512 6.825 4.699 391 HB THR 50 HB THR 50 -1.240 7.851 6.960 392 HG1 THR 50 HG1 THR 50 0.058 9.688 6.874 393 HG21 THR 50 3HG2 THR 50 1.686 7.079 6.910 394 HG22 THR 50 1HG2 THR 50 0.393 6.186 7.709 395 HG23 THR 50 2HG2 THR 50 0.835 7.796 8.280 396 H GLU 51 H GLU 51 -2.821 6.209 5.810 397 HA GLU 51 HA GLU 51 -2.498 3.800 7.121 398 HB2 GLU 51 2HB GLU 51 -4.587 5.316 6.711 399 HB3 GLU 51 3HB GLU 51 -4.832 4.321 5.287 400 HG2 GLU 51 2HG GLU 51 -4.567 3.152 8.032 401 HG3 GLU 51 3HG GLU 51 -6.103 3.722 7.399 402 H LEU 52 H LEU 52 -3.260 4.295 3.666 403 HA LEU 52 HA LEU 52 -3.219 1.625 2.845 404 HB2 LEU 52 2HB LEU 52 -2.320 3.954 1.145 405 HB3 LEU 52 3HB LEU 52 -3.035 2.448 0.599 406 HG LEU 52 HG LEU 52 -4.427 4.681 2.082 407 HD11 LEU 52 1HD1 LEU 52 -4.066 5.155 -0.265 408 HD12 LEU 52 2HD1 LEU 52 -5.775 4.849 0.042 409 HD13 LEU 52 3HD1 LEU 52 -4.778 3.605 -0.712 410 HD21 LEU 52 3HD2 LEU 52 -6.474 3.374 1.904 411 HD22 LEU 52 1HD2 LEU 52 -5.270 2.515 2.864 412 HD23 LEU 52 2HD2 LEU 52 -5.575 2.036 1.196 413 H ILE 53 H ILE 53 -0.578 4.026 2.800 414 HA ILE 53 HA ILE 53 1.471 2.486 1.722 415 HB ILE 53 HB ILE 53 1.637 4.618 3.865 416 HG12 ILE 53 2HG1 ILE 53 2.108 4.784 0.875 417 HG13 ILE 53 3HG1 ILE 53 0.642 5.313 1.694 418 HG21 ILE 53 1HG2 ILE 53 3.855 3.452 2.171 419 HG22 ILE 53 2HG2 ILE 53 3.665 3.272 3.915 420 HG23 ILE 53 3HG2 ILE 53 4.008 4.858 3.227 421 HD11 ILE 53 3HD1 ILE 53 1.906 6.993 2.905 422 HD12 ILE 53 1HD1 ILE 53 2.115 7.177 1.164 423 HD13 ILE 53 2HD1 ILE 53 3.395 6.447 2.132 424 H GLU 54 H GLU 54 0.659 2.884 5.181 425 HA GLU 54 HA GLU 54 2.650 1.035 6.042 426 HB2 GLU 54 2HB GLU 54 0.288 2.229 7.499 427 HB3 GLU 54 3HB GLU 54 1.508 1.217 8.266 428 HG2 GLU 54 2HG GLU 54 3.220 2.904 7.414 429 HG3 GLU 54 3HG GLU 54 1.846 3.948 7.054 430 H ARG 55 H ARG 55 -0.674 0.657 5.045 431 HA ARG 55 HA ARG 55 -1.081 -1.929 6.168 432 HB2 ARG 55 2HB ARG 55 -2.923 -0.481 5.342 433 HB3 ARG 55 3HB ARG 55 -2.356 -0.731 3.696 434 HG2 ARG 55 2HG ARG 55 -2.864 -3.087 3.822 435 HG3 ARG 55 3HG ARG 55 -3.289 -2.938 5.529 436 HD2 ARG 55 2HD ARG 55 -4.728 -1.633 3.213 437 HD3 ARG 55 3HD ARG 55 -5.285 -3.041 4.117 438 HE ARG 55 HE ARG 55 -5.191 -0.268 5.088 439 HH11 ARG 55 1HH1 ARG 55 -6.006 -3.569 5.680 440 HH12 ARG 55 2HH1 ARG 55 -7.147 -3.172 6.914 441 HH21 ARG 55 1HH2 ARG 55 -6.616 0.209 6.684 442 HH22 ARG 55 2HH2 ARG 55 -7.458 -1.058 7.509 443 H LEU 56 H LEU 56 0.248 -0.783 3.091 444 HA LEU 56 HA LEU 56 0.755 -3.280 1.898 445 HB2 LEU 56 2HB LEU 56 2.226 -0.650 1.691 446 HB3 LEU 56 3HB LEU 56 2.623 -2.047 0.708 447 HG LEU 56 HG LEU 56 -0.071 -0.666 0.712 448 HD11 LEU 56 1HD1 LEU 56 1.642 0.792 -0.219 449 HD12 LEU 56 2HD1 LEU 56 0.577 0.193 -1.490 450 HD13 LEU 56 3HD1 LEU 56 2.187 -0.501 -1.287 451 HD21 LEU 56 3HD2 LEU 56 -0.521 -2.022 -1.264 452 HD22 LEU 56 1HD2 LEU 56 -0.171 -3.049 0.126 453 HD23 LEU 56 2HD2 LEU 56 1.060 -2.795 -1.114 454 H ARG 57 H ARG 57 2.764 -1.326 4.100 455 HA ARG 57 HA ARG 57 4.961 -3.094 4.251 456 HB2 ARG 57 2HB ARG 57 3.958 -1.188 6.383 457 HB3 ARG 57 3HB ARG 57 5.554 -1.922 6.333 458 HG2 ARG 57 2HG ARG 57 5.922 -0.739 4.139 459 HG3 ARG 57 3HG ARG 57 4.411 0.124 4.439 460 HD2 ARG 57 2HD ARG 57 6.896 0.169 6.163 461 HD3 ARG 57 3HD ARG 57 6.287 1.483 5.155 462 HE ARG 57 HE ARG 57 4.270 1.381 6.702 463 HH11 ARG 57 1HH1 ARG 57 7.464 0.592 7.729 464 HH12 ARG 57 2HH1 ARG 57 7.136 0.988 9.381 465 HH21 ARG 57 1HH2 ARG 57 3.893 1.912 8.840 466 HH22 ARG 57 2HH2 ARG 57 5.166 1.741 9.987 467 H ALA 58 H ALA 58 2.008 -2.858 6.210 468 HA ALA 58 HA ALA 58 2.603 -4.871 8.080 469 HB1 ALA 58 3HB ALA 58 0.762 -3.250 8.342 470 HB2 ALA 58 1HB ALA 58 0.223 -4.915 8.561 471 HB3 ALA 58 2HB ALA 58 -0.123 -4.068 7.053 472 H TYR 59 H TYR 59 1.039 -5.057 4.897 473 HA TYR 59 HA TYR 59 0.432 -7.806 4.922 474 HB2 TYR 59 2HB TYR 59 -0.407 -6.135 3.255 475 HB3 TYR 59 3HB TYR 59 1.193 -6.121 2.522 476 HD1 TYR 59 HD2 TYR 59 -1.594 -8.449 3.398 477 HD2 TYR 59 HD1 TYR 59 1.666 -7.624 0.782 478 HE1 TYR 59 HE2 TYR 59 -2.252 -10.345 1.981 479 HE2 TYR 59 HE1 TYR 59 1.006 -9.516 -0.642 480 HH TYR 59 HH TYR 59 -1.996 -11.097 -0.324 481 H GLN 60 H GLN 60 3.304 -6.083 3.702 482 HA GLN 60 HA GLN 60 4.810 -8.301 2.890 483 HB2 GLN 60 2HB GLN 60 5.452 -6.021 2.323 484 HB3 GLN 60 3HB GLN 60 5.725 -5.643 4.016 485 HG2 GLN 60 2HG GLN 60 7.842 -5.952 2.945 486 HG3 GLN 60 3HG GLN 60 7.574 -7.298 4.049 487 HE21 GLN 60 1HE2 GLN 60 6.039 -7.035 0.911 488 HE22 GLN 60 2HE2 GLN 60 6.885 -8.352 0.189 489 H ASP 61 H ASP 61 4.599 -6.722 6.060 490 HA ASP 61 HA ASP 61 6.612 -8.136 7.391 491 HB2 ASP 61 2HB ASP 61 5.529 -6.075 8.228 492 HB3 ASP 61 3HB ASP 61 4.047 -6.978 8.518 493 H GLN 62 H GLN 62 3.425 -9.125 6.478 494 HA GLN 62 HA GLN 62 3.371 -11.413 8.278 495 HB2 GLN 62 2HB GLN 62 1.456 -10.562 6.091 496 HB3 GLN 62 3HB GLN 62 1.189 -11.893 7.210 497 HG2 GLN 62 2HG GLN 62 1.127 -10.364 9.081 498 HG3 GLN 62 3HG GLN 62 1.535 -9.014 8.028 499 HE21 GLN 62 1HE2 GLN 62 -0.029 -8.154 6.689 500 HE22 GLN 62 2HE2 GLN 62 -1.707 -8.532 6.851 501 H ILE 63 H ILE 63 3.406 -10.902 4.733 502 HA ILE 63 HA ILE 63 3.701 -13.691 4.144 503 HB ILE 63 HB ILE 63 4.054 -13.001 1.822 504 HG12 ILE 63 2HG1 ILE 63 4.028 -10.162 2.901 505 HG13 ILE 63 3HG1 ILE 63 5.434 -10.996 2.250 506 HG21 ILE 63 1HG2 ILE 63 1.900 -11.888 1.459 507 HG22 ILE 63 2HG2 ILE 63 1.827 -11.466 3.169 508 HG23 ILE 63 3HG2 ILE 63 1.774 -13.159 2.677 509 HD11 ILE 63 3HD1 ILE 63 4.329 -11.127 0.068 510 HD12 ILE 63 1HD1 ILE 63 4.524 -9.465 0.623 511 HD13 ILE 63 2HD1 ILE 63 2.948 -10.250 0.727 512 H SER 64 H SER 64 5.934 -11.193 4.926 513 HA SER 64 HA SER 64 8.172 -12.955 4.939 514 HB2 SER 64 2HB SER 64 8.174 -12.579 2.535 515 HB3 SER 64 3HB SER 64 8.097 -10.836 2.774 516 HG SER 64 HG SER 64 10.168 -10.808 3.039 517 HA PRO 65 HA PRO 65 8.501 -9.404 7.841 518 HB2 PRO 65 2HB PRO 65 9.481 -10.776 9.937 519 HB3 PRO 65 3HB PRO 65 7.773 -10.849 9.489 520 HG2 PRO 65 2HG PRO 65 9.972 -12.800 8.878 521 HG3 PRO 65 3HG PRO 65 8.327 -13.122 9.461 522 HD2 PRO 65 2HD PRO 65 9.042 -13.352 6.839 523 HD3 PRO 65 3HD PRO 65 7.404 -12.914 7.362 524 H VAL 66 H VAL 66 10.561 -10.107 5.797 525 HA VAL 66 HA VAL 66 12.995 -9.414 7.327 526 HB VAL 66 HB VAL 66 14.334 -10.582 5.631 527 HG11 VAL 66 1HG1 VAL 66 12.182 -12.351 6.803 528 HG12 VAL 66 2HG1 VAL 66 13.632 -11.800 7.641 529 HG13 VAL 66 3HG1 VAL 66 13.771 -12.877 6.251 530 HG21 VAL 66 3HG2 VAL 66 11.685 -11.445 4.450 531 HG22 VAL 66 1HG2 VAL 66 13.275 -12.015 3.944 532 HG23 VAL 66 2HG2 VAL 66 12.832 -10.323 3.715 533 HA PRO 67 HA PRO 67 13.473 -5.790 4.808 534 HB2 PRO 67 2HB PRO 67 16.348 -6.312 4.431 535 HB3 PRO 67 3HB PRO 67 15.551 -5.017 5.326 536 HG2 PRO 67 2HG PRO 67 16.867 -7.000 6.579 537 HG3 PRO 67 3HG PRO 67 15.406 -6.264 7.266 538 HD2 PRO 67 2HD PRO 67 15.703 -8.861 5.788 539 HD3 PRO 67 3HD PRO 67 14.766 -8.500 7.256 540 H GLY 68 H GLY 68 12.937 -8.315 3.243 541 HA2 GLY 68 2HA GLY 68 12.609 -8.549 0.923 542 HA3 GLY 68 3HA GLY 68 13.843 -7.333 0.640 543 H ALA 69 H ALA 69 13.356 -10.703 1.639 544 HA ALA 69 HA ALA 69 15.672 -11.552 0.130 545 HB1 ALA 69 3HB ALA 69 16.719 -10.849 2.231 546 HB2 ALA 69 1HB ALA 69 16.834 -12.597 2.025 547 HB3 ALA 69 2HB ALA 69 15.644 -11.915 3.135 548 HA PRO 70 HA PRO 70 13.135 -15.207 -0.301 549 HB2 PRO 70 2HB PRO 70 15.670 -16.741 -0.519 550 HB3 PRO 70 3HB PRO 70 14.345 -16.589 -1.678 551 HG2 PRO 70 2HG PRO 70 16.689 -15.368 -2.094 552 HG3 PRO 70 3HG PRO 70 15.158 -14.596 -2.549 553 HD2 PRO 70 2HD PRO 70 16.901 -14.088 -0.157 554 HD3 PRO 70 3HD PRO 70 16.041 -12.926 -1.191 555 H LYS 71 H LYS 71 12.179 -16.383 1.279 556 HA LYS 71 HA LYS 71 13.451 -16.667 3.848 557 HB2 LYS 71 2HB LYS 71 10.754 -17.611 2.849 558 HB3 LYS 71 3HB LYS 71 11.283 -17.688 4.525 559 HG2 LYS 71 2HG LYS 71 11.501 -15.224 4.539 560 HG3 LYS 71 3HG LYS 71 10.879 -15.184 2.888 561 HD2 LYS 71 2HD LYS 71 9.398 -16.278 5.292 562 HD3 LYS 71 3HD LYS 71 9.132 -14.692 4.565 563 HE2 LYS 71 2HE LYS 71 8.417 -15.732 2.490 564 HE3 LYS 71 3HE LYS 71 8.766 -17.332 3.141 565 HZ1 LYS 71 3HZ LYS 71 6.410 -16.813 3.250 566 HZ2 LYS 71 1HZ LYS 71 6.728 -15.451 4.202 567 HZ3 LYS 71 2HZ LYS 71 7.052 -16.998 4.801 568 H ALA 72 H ALA 72 14.665 -18.220 1.673 569 HA ALA 72 HA ALA 72 14.989 -20.720 3.030 570 HB1 ALA 72 3HB ALA 72 14.239 -22.181 1.209 571 HB2 ALA 72 1HB ALA 72 13.684 -20.775 0.297 572 HB3 ALA 72 2HB ALA 72 12.906 -21.203 1.820 573 HA PRO 73 HA PRO 73 18.959 -20.272 1.026 574 HB2 PRO 73 2HB PRO 73 19.242 -23.214 1.197 575 HB3 PRO 73 3HB PRO 73 20.227 -21.945 1.933 576 HG2 PRO 73 2HG PRO 73 18.568 -23.462 3.405 577 HG3 PRO 73 3HG PRO 73 18.836 -21.749 3.775 578 HD2 PRO 73 2HD PRO 73 16.521 -23.046 2.368 579 HD3 PRO 73 3HD PRO 73 16.516 -21.745 3.581 580 H ALA 74 H ALA 74 17.830 -19.741 -1.019 581 HA ALA 74 HA ALA 74 18.601 -21.490 -3.157 582 HB1 ALA 74 3HB ALA 74 16.362 -21.860 -4.093 583 HB2 ALA 74 1HB ALA 74 15.643 -21.077 -2.688 584 HB3 ALA 74 2HB ALA 74 16.518 -22.595 -2.499 585 H ALA 75 H ALA 75 17.269 -20.535 -5.268 586 HA ALA 75 HA ALA 75 18.112 -17.748 -5.368 587 HB1 ALA 75 3HB ALA 75 18.846 -19.297 -7.115 588 HB2 ALA 75 1HB ALA 75 17.894 -17.972 -7.781 589 HB3 ALA 75 2HB ALA 75 17.167 -19.565 -7.583 Start of MODEL 2 1 H1 MET 1 1H MET 1 -4.659 -27.695 -43.884 2 H2 MET 1 2H MET 1 -4.390 -28.968 -42.803 3 H3 MET 1 3H MET 1 -5.072 -29.276 -44.319 4 HA MET 1 HA MET 1 -3.065 -28.675 -45.439 5 HB2 MET 1 2HB MET 1 -2.086 -28.031 -42.650 6 HB3 MET 1 3HB MET 1 -1.001 -28.235 -44.017 7 HG2 MET 1 2HG MET 1 -2.133 -26.382 -45.165 8 HG3 MET 1 3HG MET 1 -3.167 -26.163 -43.753 9 HE1 MET 1 3HE MET 1 -2.381 -23.569 -43.770 10 HE2 MET 1 1HE MET 1 -1.298 -23.882 -45.126 11 HE3 MET 1 2HE MET 1 -0.693 -23.074 -43.683 12 H GLY 2 H GLY 2 -0.838 -29.935 -45.186 13 HA2 GLY 2 2HA GLY 2 -1.524 -32.700 -44.606 14 HA3 GLY 2 3HA GLY 2 -0.046 -32.119 -45.357 15 H HIS 3 H HIS 3 -0.674 -33.985 -43.022 16 HA HIS 3 HA HIS 3 0.183 -32.745 -40.629 17 HB2 HIS 3 2HB HIS 3 -1.084 -34.852 -40.678 18 HB3 HIS 3 3HB HIS 3 0.290 -35.666 -41.417 19 HD1 HIS 3 HD1 HIS 3 2.359 -36.119 -39.886 20 HD2 HIS 3 HD2 HIS 3 -0.942 -34.529 -37.925 21 HE1 HIS 3 HE1 HIS 3 2.792 -36.472 -37.439 22 HE2 HIS 3 HE2 HIS 3 0.692 -35.699 -36.305 23 H HIS 4 H HIS 4 2.087 -31.586 -40.932 24 HA HIS 4 HA HIS 4 4.517 -33.182 -41.492 25 HB2 HIS 4 2HB HIS 4 5.568 -31.098 -42.326 26 HB3 HIS 4 3HB HIS 4 4.151 -31.554 -43.261 27 HD1 HIS 4 HD1 HIS 4 2.095 -29.979 -43.148 28 HD2 HIS 4 HD2 HIS 4 5.344 -28.686 -40.902 29 HE1 HIS 4 HE1 HIS 4 1.581 -27.610 -42.518 30 HE2 HIS 4 HE2 HIS 4 3.638 -26.798 -41.332 31 H HIS 5 H HIS 5 6.120 -33.194 -39.996 32 HA HIS 5 HA HIS 5 5.680 -31.622 -37.535 33 HB2 HIS 5 2HB HIS 5 5.522 -33.985 -37.120 34 HB3 HIS 5 3HB HIS 5 7.012 -34.300 -38.001 35 HD1 HIS 5 HD1 HIS 5 9.216 -33.967 -36.760 36 HD2 HIS 5 HD2 HIS 5 5.878 -32.971 -34.492 37 HE1 HIS 5 HE1 HIS 5 10.065 -33.645 -34.422 38 HE2 HIS 5 HE2 HIS 5 8.011 -33.197 -33.044 39 H HIS 6 H HIS 6 7.356 -30.473 -36.583 40 HA HIS 6 HA HIS 6 10.003 -30.592 -37.863 41 HB2 HIS 6 2HB HIS 6 10.243 -28.174 -37.818 42 HB3 HIS 6 3HB HIS 6 8.819 -28.609 -38.755 43 HD1 HIS 6 HD1 HIS 6 9.921 -26.595 -35.902 44 HD2 HIS 6 HD2 HIS 6 6.326 -28.078 -37.366 45 HE1 HIS 6 HE1 HIS 6 8.126 -25.284 -34.730 46 HE2 HIS 6 HE2 HIS 6 5.980 -26.059 -35.789 47 H HIS 7 H HIS 7 11.718 -30.475 -36.495 48 HA HIS 7 HA HIS 7 11.286 -31.157 -33.784 49 HB2 HIS 7 2HB HIS 7 13.728 -31.161 -33.586 50 HB3 HIS 7 3HB HIS 7 13.223 -31.957 -35.073 51 HD1 HIS 7 HD1 HIS 7 15.139 -29.052 -33.789 52 HD2 HIS 7 HD2 HIS 7 13.872 -30.530 -37.458 53 HE1 HIS 7 HE1 HIS 7 16.433 -27.770 -35.514 54 HE2 HIS 7 HE2 HIS 7 15.789 -28.815 -37.709 55 H HIS 8 H HIS 8 10.889 -29.880 -32.088 56 HA HIS 8 HA HIS 8 11.359 -27.016 -32.206 57 HB2 HIS 8 2HB HIS 8 10.272 -26.966 -29.988 58 HB3 HIS 8 3HB HIS 8 9.302 -27.820 -31.181 59 HD1 HIS 8 HD1 HIS 8 11.709 -30.246 -30.379 60 HD2 HIS 8 HD2 HIS 8 8.462 -28.666 -28.317 61 HE1 HIS 8 HE1 HIS 8 11.130 -31.947 -28.635 62 HE2 HIS 8 HE2 HIS 8 9.314 -30.876 -27.266 63 H SER 9 H SER 9 12.599 -25.829 -30.613 64 HA SER 9 HA SER 9 15.130 -27.120 -30.072 65 HB2 SER 9 2HB SER 9 15.065 -24.809 -30.921 66 HB3 SER 9 3HB SER 9 14.232 -24.293 -29.456 67 HG SER 9 HG SER 9 16.853 -24.545 -29.874 68 H HIS 10 H HIS 10 16.047 -27.594 -28.124 69 HA HIS 10 HA HIS 10 14.307 -27.948 -25.848 70 HB2 HIS 10 2HB HIS 10 15.907 -29.687 -26.268 71 HB3 HIS 10 3HB HIS 10 17.240 -28.539 -26.316 72 HD1 HIS 10 HD1 HIS 10 18.027 -27.551 -24.015 73 HD2 HIS 10 HD2 HIS 10 15.235 -30.613 -23.731 74 HE1 HIS 10 HE1 HIS 10 18.082 -28.287 -21.619 75 HE2 HIS 10 HE2 HIS 10 16.489 -30.225 -21.500 76 H MET 11 H MET 11 13.770 -26.110 -24.736 77 HA MET 11 HA MET 11 15.958 -24.247 -24.043 78 HB2 MET 11 2HB MET 11 13.018 -23.646 -24.430 79 HB3 MET 11 3HB MET 11 14.218 -22.483 -23.880 80 HG2 MET 11 2HG MET 11 15.442 -22.797 -26.004 81 HG3 MET 11 3HG MET 11 14.154 -23.869 -26.555 82 HE1 MET 11 3HE MET 11 15.151 -21.273 -28.177 83 HE2 MET 11 1HE MET 11 13.594 -20.629 -28.707 84 HE3 MET 11 2HE MET 11 13.884 -22.368 -28.738 85 H SER 12 H SER 12 16.560 -25.110 -22.084 86 HA SER 12 HA SER 12 14.558 -25.021 -19.915 87 HB2 SER 12 2HB SER 12 16.254 -26.339 -18.606 88 HB3 SER 12 3HB SER 12 15.647 -27.180 -20.034 89 HG SER 12 HG SER 12 18.153 -25.916 -19.654 90 H THR 13 H THR 13 14.626 -22.746 -19.716 91 HA THR 13 HA THR 13 17.211 -21.475 -19.130 92 HB THR 13 HB THR 13 15.975 -19.338 -19.456 93 HG1 THR 13 HG1 THR 13 13.863 -19.412 -19.392 94 HG21 THR 13 3HG2 THR 13 17.107 -20.410 -21.363 95 HG22 THR 13 1HG2 THR 13 15.651 -19.558 -21.877 96 HG23 THR 13 2HG2 THR 13 15.638 -21.315 -21.726 97 HA PRO 14 HA PRO 14 16.331 -20.768 -14.787 98 HB2 PRO 14 2HB PRO 14 17.317 -18.207 -14.498 99 HB3 PRO 14 3HB PRO 14 18.322 -19.662 -14.517 100 HG2 PRO 14 2HG PRO 14 17.735 -17.737 -16.738 101 HG3 PRO 14 3HG PRO 14 19.274 -18.499 -16.290 102 HD2 PRO 14 2HD PRO 14 17.809 -19.408 -18.354 103 HD3 PRO 14 3HD PRO 14 18.716 -20.516 -17.304 104 H LEU 15 H LEU 15 14.293 -20.443 -14.111 105 HA LEU 15 HA LEU 15 12.581 -18.556 -15.500 106 HB2 LEU 15 2HB LEU 15 11.951 -20.551 -13.319 107 HB3 LEU 15 3HB LEU 15 10.761 -19.621 -14.219 108 HG LEU 15 HG LEU 15 12.629 -21.699 -15.382 109 HD11 LEU 15 1HD1 LEU 15 9.650 -21.790 -14.914 110 HD12 LEU 15 2HD1 LEU 15 10.875 -22.689 -14.018 111 HD13 LEU 15 3HD1 LEU 15 10.612 -23.024 -15.728 112 HD21 LEU 15 3HD2 LEU 15 12.175 -19.922 -16.989 113 HD22 LEU 15 1HD2 LEU 15 10.442 -20.094 -16.714 114 HD23 LEU 15 2HD2 LEU 15 11.351 -21.409 -17.455 115 H THR 16 H THR 16 11.784 -16.709 -14.744 116 HA THR 16 HA THR 16 12.524 -15.818 -12.027 117 HB THR 16 HB THR 16 12.085 -13.514 -12.873 118 HG1 THR 16 HG1 THR 16 10.882 -14.789 -14.852 119 HG21 THR 16 3HG2 THR 16 14.071 -13.346 -14.318 120 HG22 THR 16 1HG2 THR 16 14.062 -15.098 -14.538 121 HG23 THR 16 2HG2 THR 16 14.370 -14.407 -12.942 122 H GLY 17 H GLY 17 10.965 -14.871 -10.652 123 HA2 GLY 17 2HA GLY 17 8.144 -15.073 -11.522 124 HA3 GLY 17 3HA GLY 17 8.664 -15.829 -10.024 125 H LYS 18 H LYS 18 6.672 -14.192 -9.649 126 HA LYS 18 HA LYS 18 7.375 -11.441 -9.260 127 HB2 LYS 18 2HB LYS 18 5.031 -13.027 -8.185 128 HB3 LYS 18 3HB LYS 18 5.186 -11.276 -8.117 129 HG2 LYS 18 2HG LYS 18 5.051 -12.913 -10.651 130 HG3 LYS 18 3HG LYS 18 3.704 -12.030 -9.930 131 HD2 LYS 18 2HD LYS 18 4.940 -9.925 -10.213 132 HD3 LYS 18 3HD LYS 18 6.285 -10.811 -10.935 133 HE2 LYS 18 2HE LYS 18 4.821 -11.542 -12.765 134 HE3 LYS 18 3HE LYS 18 3.472 -10.672 -12.037 135 HZ1 LYS 18 3HZ LYS 18 4.477 -9.396 -13.815 136 HZ2 LYS 18 1HZ LYS 18 5.984 -9.443 -13.047 137 HZ3 LYS 18 2HZ LYS 18 4.696 -8.606 -12.335 138 HA PRO 19 HA PRO 19 9.213 -12.152 -5.179 139 HB2 PRO 19 2HB PRO 19 10.417 -9.772 -4.923 140 HB3 PRO 19 3HB PRO 19 11.013 -10.985 -6.062 141 HG2 PRO 19 2HG PRO 19 9.349 -8.545 -6.583 142 HG3 PRO 19 3HG PRO 19 10.709 -9.193 -7.520 143 HD2 PRO 19 2HD PRO 19 8.033 -9.589 -8.134 144 HD3 PRO 19 3HD PRO 19 9.361 -10.632 -8.678 145 H GLY 20 H GLY 20 8.168 -11.984 -3.262 146 HA2 GLY 20 2HA GLY 20 5.974 -10.149 -2.904 147 HA3 GLY 20 3HA GLY 20 6.557 -11.326 -1.736 148 H ALA 21 H ALA 21 7.464 -8.201 -3.198 149 HA ALA 21 HA ALA 21 8.244 -7.215 -0.546 150 HB1 ALA 21 3HB ALA 21 10.068 -7.061 -2.956 151 HB2 ALA 21 1HB ALA 21 10.313 -8.073 -1.533 152 HB3 ALA 21 2HB ALA 21 10.367 -6.317 -1.383 153 H LEU 22 H LEU 22 8.713 -4.799 -0.616 154 HA LEU 22 HA LEU 22 6.834 -3.485 -2.489 155 HB2 LEU 22 2HB LEU 22 7.552 -2.747 0.352 156 HB3 LEU 22 3HB LEU 22 6.516 -1.792 -0.692 157 HG LEU 22 HG LEU 22 5.919 -4.600 0.248 158 HD11 LEU 22 1HD1 LEU 22 4.233 -3.562 1.664 159 HD12 LEU 22 2HD1 LEU 22 4.741 -1.962 1.120 160 HD13 LEU 22 3HD1 LEU 22 5.843 -2.964 2.066 161 HD21 LEU 22 3HD2 LEU 22 4.932 -4.104 -1.938 162 HD22 LEU 22 1HD2 LEU 22 4.205 -2.636 -1.286 163 HD23 LEU 22 2HD2 LEU 22 3.694 -4.217 -0.692 164 HA PRO 23 HA PRO 23 10.161 -0.589 -3.440 165 HB2 PRO 23 2HB PRO 23 8.402 1.360 -4.512 166 HB3 PRO 23 3HB PRO 23 9.238 0.085 -5.400 167 HG2 PRO 23 2HG PRO 23 6.462 0.287 -5.005 168 HG3 PRO 23 3HG PRO 23 7.336 -1.131 -5.604 169 HD2 PRO 23 2HD PRO 23 6.303 -0.554 -2.866 170 HD3 PRO 23 3HD PRO 23 6.460 -2.109 -3.714 171 H ALA 24 H ALA 24 11.055 1.341 -2.611 172 HA ALA 24 HA ALA 24 9.974 2.234 -0.104 173 HB1 ALA 24 3HB ALA 24 11.964 3.635 0.041 174 HB2 ALA 24 1HB ALA 24 12.343 3.295 -1.649 175 HB3 ALA 24 2HB ALA 24 12.385 1.998 -0.457 176 H ASN 25 H ASN 25 9.359 3.166 -3.266 177 HA ASN 25 HA ASN 25 8.992 6.007 -2.797 178 HB2 ASN 25 2HB ASN 25 8.306 4.292 -5.199 179 HB3 ASN 25 3HB ASN 25 8.273 6.052 -5.157 180 HD21 ASN 25 1HD2 ASN 25 10.201 7.188 -5.199 181 HD22 ASN 25 2HD2 ASN 25 11.715 6.437 -5.554 182 H LEU 26 H LEU 26 7.298 4.136 -1.216 183 HA LEU 26 HA LEU 26 4.712 3.871 -2.234 184 HB2 LEU 26 2HB LEU 26 5.611 4.142 0.637 185 HB3 LEU 26 3HB LEU 26 3.995 3.663 0.152 186 HG LEU 26 HG LEU 26 6.547 2.133 -0.406 187 HD11 LEU 26 1HD1 LEU 26 5.817 2.010 1.929 188 HD12 LEU 26 2HD1 LEU 26 5.640 0.461 1.108 189 HD13 LEU 26 3HD1 LEU 26 4.221 1.468 1.403 190 HD21 LEU 26 3HD2 LEU 26 5.088 0.388 -1.318 191 HD22 LEU 26 1HD2 LEU 26 4.966 1.880 -2.247 192 HD23 LEU 26 2HD2 LEU 26 3.690 1.444 -1.111 193 H ASP 27 H ASP 27 5.736 6.372 0.159 194 HA ASP 27 HA ASP 27 3.293 7.830 -0.192 195 HB2 ASP 27 2HB ASP 27 4.601 7.879 1.922 196 HB3 ASP 27 3HB ASP 27 5.866 8.782 1.094 197 H ASP 28 H ASP 28 6.327 7.821 -1.825 198 HA ASP 28 HA ASP 28 6.186 10.382 -3.041 199 HB2 ASP 28 2HB ASP 28 7.514 7.848 -4.045 200 HB3 ASP 28 3HB ASP 28 7.818 9.476 -4.652 201 H MET 29 H MET 29 4.721 7.277 -3.806 202 HA MET 29 HA MET 29 3.522 8.259 -6.261 203 HB2 MET 29 2HB MET 29 2.951 5.743 -4.668 204 HB3 MET 29 3HB MET 29 2.285 6.112 -6.253 205 HG2 MET 29 2HG MET 29 4.626 6.181 -7.132 206 HG3 MET 29 3HG MET 29 5.169 5.602 -5.558 207 HE1 MET 29 3HE MET 29 4.307 3.257 -4.508 208 HE2 MET 29 1HE MET 29 3.308 2.110 -5.397 209 HE3 MET 29 2HE MET 29 2.627 3.649 -4.875 210 H LYS 30 H LYS 30 1.084 8.185 -6.490 211 HA LYS 30 HA LYS 30 -0.032 9.833 -4.375 212 HB2 LYS 30 2HB LYS 30 -1.084 9.087 -7.108 213 HB3 LYS 30 3HB LYS 30 -1.916 10.159 -5.987 214 HG2 LYS 30 2HG LYS 30 -0.047 11.723 -6.059 215 HG3 LYS 30 3HG LYS 30 0.834 10.641 -7.138 216 HD2 LYS 30 2HD LYS 30 -0.221 12.485 -8.367 217 HD3 LYS 30 3HD LYS 30 -0.880 10.922 -8.853 218 HE2 LYS 30 2HE LYS 30 -2.850 11.295 -7.486 219 HE3 LYS 30 3HE LYS 30 -2.174 12.802 -6.872 220 HZ1 LYS 30 3HZ LYS 30 -2.246 13.703 -9.116 221 HZ2 LYS 30 1HZ LYS 30 -3.784 13.207 -8.619 222 HZ3 LYS 30 2HZ LYS 30 -2.902 12.258 -9.700 223 H VAL 31 H VAL 31 -2.376 9.556 -3.802 224 HA VAL 31 HA VAL 31 -2.756 7.251 -2.301 225 HB VAL 31 HB VAL 31 -4.896 9.118 -3.357 226 HG11 VAL 31 1HG1 VAL 31 -4.975 7.282 -0.960 227 HG12 VAL 31 2HG1 VAL 31 -5.854 7.049 -2.471 228 HG13 VAL 31 3HG1 VAL 31 -6.231 8.426 -1.434 229 HG21 VAL 31 3HG2 VAL 31 -3.144 10.335 -2.183 230 HG22 VAL 31 1HG2 VAL 31 -3.288 9.246 -0.801 231 HG23 VAL 31 2HG2 VAL 31 -4.625 10.315 -1.227 232 H ALA 32 H ALA 32 -4.205 8.039 -5.462 233 HA ALA 32 HA ALA 32 -5.782 5.734 -5.749 234 HB1 ALA 32 3HB ALA 32 -6.081 7.735 -7.114 235 HB2 ALA 32 1HB ALA 32 -5.867 6.309 -8.127 236 HB3 ALA 32 2HB ALA 32 -4.534 7.441 -7.904 237 H GLU 33 H GLU 33 -2.360 6.219 -6.271 238 HA GLU 33 HA GLU 33 -1.985 3.841 -7.863 239 HB2 GLU 33 2HB GLU 33 0.046 5.584 -6.443 240 HB3 GLU 33 3HB GLU 33 0.424 4.322 -7.612 241 HG2 GLU 33 2HG GLU 33 -0.833 5.559 -9.328 242 HG3 GLU 33 3HG GLU 33 -1.149 6.834 -8.155 243 H LEU 34 H LEU 34 -1.503 4.725 -4.464 244 HA LEU 34 HA LEU 34 -0.373 2.253 -3.657 245 HB2 LEU 34 2HB LEU 34 -1.893 4.335 -2.083 246 HB3 LEU 34 3HB LEU 34 -1.069 2.965 -1.360 247 HG LEU 34 HG LEU 34 0.264 5.177 -2.938 248 HD11 LEU 34 1HD1 LEU 34 0.266 4.597 0.027 249 HD12 LEU 34 2HD1 LEU 34 -0.515 5.962 -0.769 250 HD13 LEU 34 3HD1 LEU 34 1.243 5.824 -0.781 251 HD21 LEU 34 3HD2 LEU 34 1.408 3.035 -3.204 252 HD22 LEU 34 1HD2 LEU 34 1.467 2.833 -1.455 253 HD23 LEU 34 2HD2 LEU 34 2.364 4.143 -2.223 254 H LYS 35 H LYS 35 -3.741 3.422 -3.718 255 HA LYS 35 HA LYS 35 -4.923 1.139 -2.575 256 HB2 LYS 35 2HB LYS 35 -6.039 3.118 -4.572 257 HB3 LYS 35 3HB LYS 35 -7.006 1.878 -3.778 258 HG2 LYS 35 2HG LYS 35 -6.310 2.859 -1.577 259 HG3 LYS 35 3HG LYS 35 -5.562 4.180 -2.473 260 HD2 LYS 35 2HD LYS 35 -7.710 4.831 -3.385 261 HD3 LYS 35 3HD LYS 35 -8.489 3.438 -2.627 262 HE2 LYS 35 2HE LYS 35 -7.829 4.340 -0.405 263 HE3 LYS 35 3HE LYS 35 -7.178 5.767 -1.210 264 HZ1 LYS 35 3HZ LYS 35 -9.407 6.141 -0.352 265 HZ2 LYS 35 1HZ LYS 35 -10.009 4.878 -1.302 266 HZ3 LYS 35 2HZ LYS 35 -9.386 6.263 -2.037 267 H GLN 36 H GLN 36 -3.840 1.756 -5.866 268 HA GLN 36 HA GLN 36 -4.860 -0.562 -7.096 269 HB2 GLN 36 2HB GLN 36 -3.809 1.252 -8.366 270 HB3 GLN 36 3HB GLN 36 -2.264 0.920 -7.599 271 HG2 GLN 36 2HG GLN 36 -2.944 -1.516 -8.713 272 HG3 GLN 36 3HG GLN 36 -3.525 -0.351 -9.902 273 HE21 GLN 36 1HE2 GLN 36 -1.343 -2.229 -10.128 274 HE22 GLN 36 2HE2 GLN 36 0.087 -1.312 -10.411 275 H GLU 37 H GLU 37 -1.663 -0.001 -5.607 276 HA GLU 37 HA GLU 37 -0.697 -2.615 -5.704 277 HB2 GLU 37 2HB GLU 37 -0.134 -0.308 -3.852 278 HB3 GLU 37 3HB GLU 37 0.703 -1.844 -3.681 279 HG2 GLU 37 2HG GLU 37 0.697 -0.185 -6.197 280 HG3 GLU 37 3HG GLU 37 1.962 -0.136 -4.970 281 H LEU 38 H LEU 38 -2.989 -1.187 -3.478 282 HA LEU 38 HA LEU 38 -2.925 -3.295 -1.551 283 HB2 LEU 38 2HB LEU 38 -5.024 -1.231 -2.209 284 HB3 LEU 38 3HB LEU 38 -5.184 -2.375 -0.891 285 HG LEU 38 HG LEU 38 -2.965 -0.329 -1.115 286 HD11 LEU 38 1HD1 LEU 38 -5.142 0.739 -0.793 287 HD12 LEU 38 2HD1 LEU 38 -4.149 0.866 0.656 288 HD13 LEU 38 3HD1 LEU 38 -5.460 -0.312 0.587 289 HD21 LEU 38 3HD2 LEU 38 -2.371 -2.346 0.174 290 HD22 LEU 38 1HD2 LEU 38 -3.793 -2.104 1.198 291 HD23 LEU 38 2HD2 LEU 38 -2.485 -0.914 1.196 292 H LYS 39 H LYS 39 -5.276 -2.534 -4.137 293 HA LYS 39 HA LYS 39 -6.882 -4.800 -3.693 294 HB2 LYS 39 2HB LYS 39 -7.934 -4.288 -5.841 295 HB3 LYS 39 3HB LYS 39 -7.704 -2.837 -4.875 296 HG2 LYS 39 2HG LYS 39 -5.670 -2.335 -6.227 297 HG3 LYS 39 3HG LYS 39 -6.078 -3.711 -7.257 298 HD2 LYS 39 2HD LYS 39 -6.879 -1.631 -8.243 299 HD3 LYS 39 3HD LYS 39 -8.235 -2.667 -7.795 300 HE2 LYS 39 2HE LYS 39 -8.520 -1.361 -5.720 301 HE3 LYS 39 3HE LYS 39 -7.194 -0.311 -6.211 302 HZ1 LYS 39 3HZ LYS 39 -9.777 -0.653 -7.624 303 HZ2 LYS 39 1HZ LYS 39 -8.493 0.295 -8.185 304 HZ3 LYS 39 2HZ LYS 39 -9.284 0.705 -6.749 305 H LEU 40 H LEU 40 -4.007 -4.403 -5.705 306 HA LEU 40 HA LEU 40 -4.138 -6.771 -7.191 307 HB2 LEU 40 2HB LEU 40 -1.739 -5.350 -6.024 308 HB3 LEU 40 3HB LEU 40 -1.618 -6.691 -7.149 309 HG LEU 40 HG LEU 40 -2.846 -3.985 -7.725 310 HD11 LEU 40 1HD1 LEU 40 -0.297 -5.286 -8.683 311 HD12 LEU 40 2HD1 LEU 40 -0.426 -3.898 -7.603 312 HD13 LEU 40 3HD1 LEU 40 -0.947 -3.762 -9.281 313 HD21 LEU 40 3HD2 LEU 40 -4.038 -5.742 -8.925 314 HD22 LEU 40 1HD2 LEU 40 -2.513 -6.388 -9.532 315 HD23 LEU 40 2HD2 LEU 40 -3.056 -4.789 -10.037 316 H ARG 41 H ARG 41 -3.540 -6.330 -3.804 317 HA ARG 41 HA ARG 41 -2.953 -9.208 -3.514 318 HB2 ARG 41 2HB ARG 41 -1.814 -6.836 -2.047 319 HB3 ARG 41 3HB ARG 41 -1.753 -8.455 -1.359 320 HG2 ARG 41 2HG ARG 41 -0.346 -9.253 -3.054 321 HG3 ARG 41 3HG ARG 41 -0.696 -7.886 -4.112 322 HD2 ARG 41 2HD ARG 41 0.738 -7.622 -1.473 323 HD3 ARG 41 3HD ARG 41 1.570 -7.868 -3.010 324 HE ARG 41 HE ARG 41 -0.173 -5.544 -2.488 325 HH11 ARG 41 1HH1 ARG 41 2.727 -6.906 -3.751 326 HH12 ARG 41 2HH1 ARG 41 3.289 -5.401 -4.390 327 HH21 ARG 41 1HH2 ARG 41 0.553 -3.630 -3.311 328 HH22 ARG 41 2HH2 ARG 41 2.064 -3.566 -4.155 329 H SER 42 H SER 42 -5.522 -7.632 -3.428 330 HA SER 42 HA SER 42 -7.527 -7.825 -2.377 331 HB2 SER 42 2HB SER 42 -6.905 -10.236 -2.350 332 HB3 SER 42 3HB SER 42 -6.194 -10.011 -0.753 333 HG SER 42 HG SER 42 -8.154 -9.775 0.115 334 H LEU 43 H LEU 43 -5.618 -5.924 -1.317 335 HA LEU 43 HA LEU 43 -6.202 -5.875 1.556 336 HB2 LEU 43 2HB LEU 43 -4.357 -4.258 -0.198 337 HB3 LEU 43 3HB LEU 43 -4.645 -3.861 1.486 338 HG LEU 43 HG LEU 43 -3.570 -6.545 0.597 339 HD11 LEU 43 1HD1 LEU 43 -2.017 -4.756 -0.082 340 HD12 LEU 43 2HD1 LEU 43 -1.358 -5.757 1.213 341 HD13 LEU 43 3HD1 LEU 43 -2.002 -4.156 1.577 342 HD21 LEU 43 3HD2 LEU 43 -2.873 -6.709 2.942 343 HD22 LEU 43 1HD2 LEU 43 -4.621 -6.513 2.799 344 HD23 LEU 43 2HD2 LEU 43 -3.614 -5.142 3.269 345 HA PRO 44 HA PRO 44 -9.563 -3.029 1.241 346 HB2 PRO 44 2HB PRO 44 -9.233 -1.576 3.547 347 HB3 PRO 44 3HB PRO 44 -9.890 -3.214 3.497 348 HG2 PRO 44 2HG PRO 44 -7.097 -2.315 4.120 349 HG3 PRO 44 3HG PRO 44 -8.089 -3.537 4.941 350 HD2 PRO 44 2HD PRO 44 -6.169 -4.235 3.195 351 HD3 PRO 44 3HD PRO 44 -7.691 -5.142 3.310 352 H VAL 45 H VAL 45 -9.749 -1.340 -0.080 353 HA VAL 45 HA VAL 45 -7.592 0.652 -0.243 354 HB VAL 45 HB VAL 45 -8.548 1.247 -2.427 355 HG11 VAL 45 1HG1 VAL 45 -6.879 -0.526 -2.335 356 HG12 VAL 45 2HG1 VAL 45 -8.053 -0.846 -3.611 357 HG13 VAL 45 3HG1 VAL 45 -8.147 -1.727 -2.087 358 HG21 VAL 45 3HG2 VAL 45 -10.583 -0.931 -1.898 359 HG22 VAL 45 1HG2 VAL 45 -10.389 -0.035 -3.406 360 HG23 VAL 45 2HG2 VAL 45 -10.915 0.800 -1.945 361 H SER 46 H SER 46 -9.558 0.801 1.921 362 HA SER 46 HA SER 46 -11.374 2.967 1.160 363 HB2 SER 46 2HB SER 46 -12.380 2.607 3.399 364 HB3 SER 46 3HB SER 46 -12.324 1.126 2.444 365 HG SER 46 HG SER 46 -11.563 0.562 4.420 366 H GLY 47 H GLY 47 -8.657 2.408 3.381 367 HA2 GLY 47 2HA GLY 47 -8.948 4.799 4.862 368 HA3 GLY 47 3HA GLY 47 -7.513 3.798 4.803 369 H THR 48 H THR 48 -6.837 6.207 5.115 370 HA THR 48 HA THR 48 -6.677 7.794 2.689 371 HB THR 48 HB THR 48 -5.556 9.473 4.050 372 HG1 THR 48 HG1 THR 48 -4.781 9.052 6.046 373 HG21 THR 48 3HG2 THR 48 -8.009 9.339 4.218 374 HG22 THR 48 1HG2 THR 48 -7.279 9.909 5.719 375 HG23 THR 48 2HG2 THR 48 -7.847 8.243 5.593 376 H LYS 49 H LYS 49 -4.402 8.935 2.452 377 HA LYS 49 HA LYS 49 -2.627 7.374 1.138 378 HB2 LYS 49 2HB LYS 49 -2.565 9.843 1.233 379 HB3 LYS 49 3HB LYS 49 -1.907 9.758 2.859 380 HG2 LYS 49 2HG LYS 49 -0.090 10.203 1.417 381 HG3 LYS 49 3HG LYS 49 0.056 8.506 1.884 382 HD2 LYS 49 2HD LYS 49 -0.909 7.810 -0.235 383 HD3 LYS 49 3HD LYS 49 -1.174 9.495 -0.696 384 HE2 LYS 49 2HE LYS 49 1.488 8.147 -0.247 385 HE3 LYS 49 3HE LYS 49 0.803 8.633 -1.794 386 HZ1 LYS 49 3HZ LYS 49 0.839 10.958 -0.943 387 HZ2 LYS 49 1HZ LYS 49 2.367 10.268 -1.143 388 HZ3 LYS 49 2HZ LYS 49 1.706 10.410 0.404 389 H THR 50 H THR 50 -2.104 8.340 4.547 390 HA THR 50 HA THR 50 0.197 6.777 4.953 391 HB THR 50 HB THR 50 -1.793 7.608 7.083 392 HG1 THR 50 HG1 THR 50 0.394 9.046 5.924 393 HG21 THR 50 3HG2 THR 50 0.176 7.627 8.557 394 HG22 THR 50 1HG2 THR 50 1.179 7.059 7.221 395 HG23 THR 50 2HG2 THR 50 -0.095 6.025 7.870 396 H GLU 51 H GLU 51 -3.231 6.026 5.450 397 HA GLU 51 HA GLU 51 -2.940 3.568 6.787 398 HB2 GLU 51 2HB GLU 51 -5.137 4.441 4.892 399 HB3 GLU 51 3HB GLU 51 -5.228 3.062 5.980 400 HG2 GLU 51 2HG GLU 51 -5.005 5.962 6.765 401 HG3 GLU 51 3HG GLU 51 -6.430 4.934 6.902 402 H LEU 52 H LEU 52 -3.095 4.335 3.331 403 HA LEU 52 HA LEU 52 -3.081 1.703 2.328 404 HB2 LEU 52 2HB LEU 52 -1.722 4.009 0.945 405 HB3 LEU 52 3HB LEU 52 -2.552 2.643 0.223 406 HG LEU 52 HG LEU 52 -3.844 4.952 1.678 407 HD11 LEU 52 1HD1 LEU 52 -3.036 5.582 -0.505 408 HD12 LEU 52 2HD1 LEU 52 -4.796 5.480 -0.521 409 HD13 LEU 52 3HD1 LEU 52 -3.830 4.187 -1.235 410 HD21 LEU 52 3HD2 LEU 52 -5.074 2.863 2.062 411 HD22 LEU 52 1HD2 LEU 52 -5.160 2.602 0.321 412 HD23 LEU 52 2HD2 LEU 52 -5.980 3.983 1.049 413 H ILE 53 H ILE 53 -0.423 3.951 3.011 414 HA ILE 53 HA ILE 53 1.740 2.372 2.193 415 HB ILE 53 HB ILE 53 1.663 4.360 4.479 416 HG12 ILE 53 2HG1 ILE 53 2.390 4.804 1.566 417 HG13 ILE 53 3HG1 ILE 53 0.878 5.302 2.318 418 HG21 ILE 53 1HG2 ILE 53 3.657 2.988 4.600 419 HG22 ILE 53 2HG2 ILE 53 4.083 4.616 4.072 420 HG23 ILE 53 3HG2 ILE 53 4.009 3.299 2.899 421 HD11 ILE 53 3HD1 ILE 53 3.628 6.306 3.016 422 HD12 ILE 53 1HD1 ILE 53 2.131 6.781 3.820 423 HD13 ILE 53 2HD1 ILE 53 2.383 7.173 2.119 424 H GLU 54 H GLU 54 0.379 2.727 5.494 425 HA GLU 54 HA GLU 54 2.051 0.762 6.662 426 HB2 GLU 54 2HB GLU 54 -0.661 1.718 7.616 427 HB3 GLU 54 3HB GLU 54 0.522 0.842 8.580 428 HG2 GLU 54 2HG GLU 54 2.106 2.778 8.114 429 HG3 GLU 54 3HG GLU 54 0.693 3.647 7.517 430 H ARG 55 H ARG 55 -1.074 0.553 5.063 431 HA ARG 55 HA ARG 55 -1.809 -2.052 5.809 432 HB2 ARG 55 2HB ARG 55 -2.824 -0.093 4.099 433 HB3 ARG 55 3HB ARG 55 -2.455 -1.427 3.022 434 HG2 ARG 55 2HG ARG 55 -4.591 -1.975 3.569 435 HG3 ARG 55 3HG ARG 55 -3.750 -2.817 4.869 436 HD2 ARG 55 2HD ARG 55 -5.056 -0.096 5.028 437 HD3 ARG 55 3HD ARG 55 -5.646 -1.591 5.748 438 HE ARG 55 HE ARG 55 -3.264 -1.365 6.920 439 HH11 ARG 55 1HH1 ARG 55 -5.808 0.922 6.496 440 HH12 ARG 55 2HH1 ARG 55 -5.329 1.876 7.860 441 HH21 ARG 55 1HH2 ARG 55 -2.686 -0.159 8.689 442 HH22 ARG 55 2HH2 ARG 55 -3.579 1.270 9.091 443 H LEU 56 H LEU 56 -0.088 -0.963 2.877 444 HA LEU 56 HA LEU 56 0.599 -3.462 1.851 445 HB2 LEU 56 2HB LEU 56 2.066 -0.827 1.695 446 HB3 LEU 56 3HB LEU 56 2.505 -2.236 0.748 447 HG LEU 56 HG LEU 56 -0.173 -0.834 0.583 448 HD11 LEU 56 1HD1 LEU 56 1.612 0.613 -0.235 449 HD12 LEU 56 2HD1 LEU 56 0.616 0.030 -1.568 450 HD13 LEU 56 3HD1 LEU 56 2.204 -0.682 -1.276 451 HD21 LEU 56 3HD2 LEU 56 1.065 -2.975 -1.155 452 HD22 LEU 56 1HD2 LEU 56 -0.489 -2.186 -1.427 453 HD23 LEU 56 2HD2 LEU 56 -0.258 -3.208 -0.012 454 H ARG 57 H ARG 57 2.501 -1.371 4.031 455 HA ARG 57 HA ARG 57 4.715 -3.109 4.252 456 HB2 ARG 57 2HB ARG 57 3.740 -0.926 6.103 457 HB3 ARG 57 3HB ARG 57 5.295 -1.737 6.261 458 HG2 ARG 57 2HG ARG 57 5.947 -0.928 4.037 459 HG3 ARG 57 3HG ARG 57 4.390 -0.115 3.877 460 HD2 ARG 57 2HD ARG 57 6.159 1.442 4.532 461 HD3 ARG 57 3HD ARG 57 4.916 1.315 5.776 462 HE ARG 57 HE ARG 57 6.598 -0.357 6.802 463 HH11 ARG 57 1HH1 ARG 57 7.528 2.433 5.001 464 HH12 ARG 57 2HH1 ARG 57 8.938 2.706 5.963 465 HH21 ARG 57 1HH2 ARG 57 8.441 -0.022 7.982 466 HH22 ARG 57 2HH2 ARG 57 9.455 1.337 7.623 467 H ALA 58 H ALA 58 1.685 -2.983 6.048 468 HA ALA 58 HA ALA 58 2.467 -4.806 8.108 469 HB1 ALA 58 3HB ALA 58 0.046 -4.998 8.560 470 HB2 ALA 58 1HB ALA 58 -0.287 -4.087 7.086 471 HB3 ALA 58 2HB ALA 58 0.568 -3.319 8.425 472 H TYR 59 H TYR 59 0.630 -5.208 5.076 473 HA TYR 59 HA TYR 59 0.255 -7.990 5.232 474 HB2 TYR 59 2HB TYR 59 -0.973 -6.538 3.675 475 HB3 TYR 59 3HB TYR 59 0.508 -6.227 2.780 476 HD1 TYR 59 HD2 TYR 59 -2.060 -8.762 3.563 477 HD2 TYR 59 HD1 TYR 59 1.364 -7.842 1.197 478 HE1 TYR 59 HE2 TYR 59 -2.545 -10.692 2.115 479 HE2 TYR 59 HE1 TYR 59 0.880 -9.759 -0.261 480 HH TYR 59 HH TYR 59 -0.343 -11.941 -0.105 481 H GLN 60 H GLN 60 2.893 -6.082 3.820 482 HA GLN 60 HA GLN 60 4.274 -8.325 2.729 483 HB2 GLN 60 2HB GLN 60 4.430 -5.870 2.004 484 HB3 GLN 60 3HB GLN 60 5.518 -5.649 3.363 485 HG2 GLN 60 2HG GLN 60 6.039 -7.745 1.277 486 HG3 GLN 60 3HG GLN 60 6.514 -6.070 1.032 487 HE21 GLN 60 1HE2 GLN 60 8.131 -8.514 1.300 488 HE22 GLN 60 2HE2 GLN 60 9.224 -8.200 2.600 489 H ASP 61 H ASP 61 4.509 -6.554 5.791 490 HA ASP 61 HA ASP 61 6.907 -7.592 6.772 491 HB2 ASP 61 2HB ASP 61 5.679 -5.767 7.862 492 HB3 ASP 61 3HB ASP 61 4.383 -6.878 8.293 493 H GLN 62 H GLN 62 3.650 -8.911 6.861 494 HA GLN 62 HA GLN 62 4.144 -11.137 8.522 495 HB2 GLN 62 2HB GLN 62 2.015 -10.696 6.412 496 HB3 GLN 62 3HB GLN 62 1.981 -11.971 7.628 497 HG2 GLN 62 2HG GLN 62 1.818 -10.363 9.398 498 HG3 GLN 62 3HG GLN 62 2.072 -9.032 8.278 499 HE21 GLN 62 1HE2 GLN 62 0.392 -8.330 7.014 500 HE22 GLN 62 2HE2 GLN 62 -1.243 -8.840 7.241 501 H ILE 63 H ILE 63 4.526 -10.676 5.057 502 HA ILE 63 HA ILE 63 5.271 -13.512 4.720 503 HB ILE 63 HB ILE 63 5.088 -13.107 2.295 504 HG12 ILE 63 2HG1 ILE 63 4.168 -10.328 3.107 505 HG13 ILE 63 3HG1 ILE 63 5.673 -10.711 2.277 506 HG21 ILE 63 1HG2 ILE 63 2.641 -12.277 3.865 507 HG22 ILE 63 2HG2 ILE 63 3.146 -13.930 3.512 508 HG23 ILE 63 3HG2 ILE 63 2.641 -12.866 2.201 509 HD11 ILE 63 3HD1 ILE 63 4.382 -11.521 0.352 510 HD12 ILE 63 1HD1 ILE 63 4.047 -9.832 0.727 511 HD13 ILE 63 2HD1 ILE 63 2.890 -11.081 1.184 512 H SER 64 H SER 64 6.838 -10.899 5.642 513 HA SER 64 HA SER 64 9.134 -11.095 3.817 514 HB2 SER 64 2HB SER 64 8.309 -8.832 4.375 515 HB3 SER 64 3HB SER 64 8.617 -9.143 6.081 516 HG SER 64 HG SER 64 10.439 -8.174 5.497 517 HA PRO 65 HA PRO 65 11.452 -13.799 6.453 518 HB2 PRO 65 2HB PRO 65 13.982 -12.718 5.972 519 HB3 PRO 65 3HB PRO 65 13.178 -13.931 4.973 520 HG2 PRO 65 2HG PRO 65 13.336 -10.966 4.596 521 HG3 PRO 65 3HG PRO 65 13.445 -12.263 3.389 522 HD2 PRO 65 2HD PRO 65 11.198 -10.842 3.671 523 HD3 PRO 65 3HD PRO 65 11.135 -12.589 3.350 524 H VAL 66 H VAL 66 11.840 -13.784 8.593 525 HA VAL 66 HA VAL 66 12.373 -11.215 9.930 526 HB VAL 66 HB VAL 66 11.562 -12.290 11.995 527 HG11 VAL 66 1HG1 VAL 66 9.972 -11.072 10.628 528 HG12 VAL 66 2HG1 VAL 66 9.184 -12.479 11.346 529 HG13 VAL 66 3HG1 VAL 66 9.665 -12.510 9.651 530 HG21 VAL 66 3HG2 VAL 66 10.997 -14.687 10.234 531 HG22 VAL 66 1HG2 VAL 66 10.478 -14.500 11.910 532 HG23 VAL 66 2HG2 VAL 66 12.195 -14.604 11.524 533 HA PRO 67 HA PRO 67 16.472 -12.643 10.935 534 HB2 PRO 67 2HB PRO 67 17.111 -10.911 12.892 535 HB3 PRO 67 3HB PRO 67 16.889 -10.382 11.219 536 HG2 PRO 67 2HG PRO 67 14.954 -10.246 13.515 537 HG3 PRO 67 3HG PRO 67 15.375 -8.986 12.339 538 HD2 PRO 67 2HD PRO 67 13.146 -10.529 12.115 539 HD3 PRO 67 3HD PRO 67 14.011 -9.884 10.705 540 H GLY 68 H GLY 68 14.344 -14.210 12.185 541 HA2 GLY 68 2HA GLY 68 14.531 -15.967 13.758 542 HA3 GLY 68 3HA GLY 68 15.725 -15.031 14.646 543 H ALA 69 H ALA 69 13.015 -13.187 13.789 544 HA ALA 69 HA ALA 69 12.097 -13.062 16.530 545 HB1 ALA 69 3HB ALA 69 11.098 -11.602 14.080 546 HB2 ALA 69 1HB ALA 69 12.321 -11.016 15.206 547 HB3 ALA 69 2HB ALA 69 10.661 -11.244 15.751 548 HA PRO 70 HA PRO 70 9.013 -16.287 16.029 549 HB2 PRO 70 2HB PRO 70 7.788 -14.934 18.388 550 HB3 PRO 70 3HB PRO 70 8.238 -16.631 18.167 551 HG2 PRO 70 2HG PRO 70 9.712 -15.032 19.701 552 HG3 PRO 70 3HG PRO 70 10.486 -16.230 18.644 553 HD2 PRO 70 2HD PRO 70 10.182 -13.266 18.255 554 HD3 PRO 70 3HD PRO 70 11.577 -14.312 17.908 555 H LYS 71 H LYS 71 7.814 -15.828 14.231 556 HA LYS 71 HA LYS 71 5.465 -14.069 14.585 557 HB2 LYS 71 2HB LYS 71 7.180 -14.473 12.124 558 HB3 LYS 71 3HB LYS 71 5.573 -13.764 12.056 559 HG2 LYS 71 2HG LYS 71 7.901 -12.654 13.618 560 HG3 LYS 71 3HG LYS 71 7.355 -12.080 12.041 561 HD2 LYS 71 2HD LYS 71 5.101 -11.648 13.120 562 HD3 LYS 71 3HD LYS 71 5.883 -11.950 14.673 563 HE2 LYS 71 2HE LYS 71 5.853 -9.583 14.308 564 HE3 LYS 71 3HE LYS 71 7.515 -10.139 14.125 565 HZ1 LYS 71 3HZ LYS 71 7.144 -10.141 11.691 566 HZ2 LYS 71 1HZ LYS 71 7.000 -8.603 12.382 567 HZ3 LYS 71 2HZ LYS 71 5.618 -9.470 11.942 568 H ALA 72 H ALA 72 3.785 -14.643 12.746 569 HA ALA 72 HA ALA 72 3.011 -17.375 13.050 570 HB1 ALA 72 3HB ALA 72 1.932 -15.307 11.127 571 HB2 ALA 72 1HB ALA 72 1.375 -15.552 12.783 572 HB3 ALA 72 2HB ALA 72 1.151 -16.820 11.581 573 HA PRO 73 HA PRO 73 5.401 -19.294 9.809 574 HB2 PRO 73 2HB PRO 73 3.004 -21.022 9.402 575 HB3 PRO 73 3HB PRO 73 4.681 -21.478 9.731 576 HG2 PRO 73 2HG PRO 73 2.837 -21.658 11.645 577 HG3 PRO 73 3HG PRO 73 4.478 -21.098 12.018 578 HD2 PRO 73 2HD PRO 73 1.959 -19.502 11.700 579 HD3 PRO 73 3HD PRO 73 3.278 -19.303 12.872 580 H ALA 74 H ALA 74 5.439 -17.658 8.241 581 HA ALA 74 HA ALA 74 3.327 -16.900 6.565 582 HB1 ALA 74 3HB ALA 74 5.022 -15.893 5.131 583 HB2 ALA 74 1HB ALA 74 6.284 -16.814 5.952 584 HB3 ALA 74 2HB ALA 74 5.377 -15.582 6.831 585 H ALA 75 H ALA 75 2.204 -18.571 5.683 586 HA ALA 75 HA ALA 75 3.211 -19.765 3.281 587 HB1 ALA 75 3HB ALA 75 4.238 -21.283 4.915 588 HB2 ALA 75 1HB ALA 75 3.018 -22.114 3.949 589 HB3 ALA 75 2HB ALA 75 2.650 -21.622 5.604 Start of MODEL 3 1 H1 MET 1 1H MET 1 -6.016 -54.068 -31.817 2 H2 MET 1 2H MET 1 -4.702 -53.474 -32.694 3 H3 MET 1 3H MET 1 -5.154 -52.729 -31.248 4 HA MET 1 HA MET 1 -4.621 -54.778 -30.038 5 HB2 MET 1 2HB MET 1 -3.559 -55.610 -32.754 6 HB3 MET 1 3HB MET 1 -3.203 -56.455 -31.252 7 HG2 MET 1 2HG MET 1 -5.600 -56.916 -30.966 8 HG3 MET 1 3HG MET 1 -5.921 -56.111 -32.503 9 HE1 MET 1 3HE MET 1 -7.227 -58.408 -33.214 10 HE2 MET 1 1HE MET 1 -6.771 -59.130 -31.674 11 HE3 MET 1 2HE MET 1 -6.452 -59.991 -33.180 12 H GLY 2 H GLY 2 -1.987 -55.602 -30.124 13 HA2 GLY 2 2HA GLY 2 0.231 -54.893 -30.005 14 HA3 GLY 2 3HA GLY 2 -0.244 -53.365 -30.726 15 H HIS 3 H HIS 3 -1.864 -52.141 -29.119 16 HA HIS 3 HA HIS 3 -2.218 -51.044 -27.168 17 HB2 HIS 3 2HB HIS 3 -2.678 -53.352 -26.342 18 HB3 HIS 3 3HB HIS 3 -0.997 -53.481 -25.845 19 HD1 HIS 3 HD1 HIS 3 -1.851 -53.857 -23.395 20 HD2 HIS 3 HD2 HIS 3 -2.760 -50.127 -24.992 21 HE1 HIS 3 HE1 HIS 3 -2.539 -52.435 -21.442 22 HE2 HIS 3 HE2 HIS 3 -2.983 -50.160 -22.415 23 H HIS 4 H HIS 4 0.121 -50.367 -28.559 24 HA HIS 4 HA HIS 4 2.366 -50.184 -26.805 25 HB2 HIS 4 2HB HIS 4 2.654 -50.064 -29.235 26 HB3 HIS 4 3HB HIS 4 1.717 -48.574 -29.290 27 HD1 HIS 4 HD1 HIS 4 3.217 -46.645 -29.609 28 HD2 HIS 4 HD2 HIS 4 4.982 -49.562 -27.231 29 HE1 HIS 4 HE1 HIS 4 5.468 -45.732 -28.986 30 HE2 HIS 4 HE2 HIS 4 6.595 -47.599 -27.737 31 H HIS 5 H HIS 5 1.504 -49.367 -24.865 32 HA HIS 5 HA HIS 5 0.119 -46.918 -24.633 33 HB2 HIS 5 2HB HIS 5 0.772 -47.037 -22.212 34 HB3 HIS 5 3HB HIS 5 0.006 -48.496 -22.828 35 HD1 HIS 5 HD1 HIS 5 1.286 -50.650 -22.599 36 HD2 HIS 5 HD2 HIS 5 3.621 -47.310 -21.789 37 HE1 HIS 5 HE1 HIS 5 3.444 -51.546 -21.696 38 HE2 HIS 5 HE2 HIS 5 4.912 -49.520 -21.422 39 H HIS 6 H HIS 6 0.765 -44.846 -24.405 40 HA HIS 6 HA HIS 6 3.654 -44.274 -24.362 41 HB2 HIS 6 2HB HIS 6 3.037 -42.293 -25.922 42 HB3 HIS 6 3HB HIS 6 3.183 -43.903 -26.617 43 HD1 HIS 6 HD1 HIS 6 1.111 -44.921 -27.665 44 HD2 HIS 6 HD2 HIS 6 0.346 -41.319 -25.737 45 HE1 HIS 6 HE1 HIS 6 -1.229 -44.299 -28.310 46 HE2 HIS 6 HE2 HIS 6 -1.738 -42.250 -26.948 47 H HIS 7 H HIS 7 3.698 -43.675 -22.246 48 HA HIS 7 HA HIS 7 1.949 -41.502 -21.320 49 HB2 HIS 7 2HB HIS 7 2.015 -43.409 -19.847 50 HB3 HIS 7 3HB HIS 7 3.775 -43.429 -19.859 51 HD1 HIS 7 HD1 HIS 7 4.981 -41.875 -18.250 52 HD2 HIS 7 HD2 HIS 7 0.854 -41.398 -18.207 53 HE1 HIS 7 HE1 HIS 7 4.494 -40.429 -16.259 54 HE2 HIS 7 HE2 HIS 7 1.988 -40.375 -16.116 55 H HIS 8 H HIS 8 2.708 -39.451 -21.240 56 HA HIS 8 HA HIS 8 5.574 -38.973 -20.855 57 HB2 HIS 8 2HB HIS 8 5.577 -37.327 -22.768 58 HB3 HIS 8 3HB HIS 8 5.470 -39.020 -23.239 59 HD1 HIS 8 HD1 HIS 8 3.301 -39.813 -24.347 60 HD2 HIS 8 HD2 HIS 8 3.259 -35.792 -23.304 61 HE1 HIS 8 HE1 HIS 8 1.290 -38.844 -25.488 62 HE2 HIS 8 HE2 HIS 8 1.187 -36.460 -24.701 63 H SER 9 H SER 9 6.037 -37.195 -19.713 64 HA SER 9 HA SER 9 4.066 -35.038 -19.424 65 HB2 SER 9 2HB SER 9 4.486 -35.011 -16.935 66 HB3 SER 9 3HB SER 9 3.599 -36.427 -17.499 67 HG SER 9 HG SER 9 5.728 -36.474 -16.046 68 H HIS 10 H HIS 10 4.990 -33.035 -19.367 69 HA HIS 10 HA HIS 10 7.688 -32.588 -18.500 70 HB2 HIS 10 2HB HIS 10 8.133 -33.603 -20.701 71 HB3 HIS 10 3HB HIS 10 7.129 -32.384 -21.476 72 HD1 HIS 10 HD1 HIS 10 10.435 -32.788 -19.712 73 HD2 HIS 10 HD2 HIS 10 8.397 -29.964 -21.978 74 HE1 HIS 10 HE1 HIS 10 12.116 -30.996 -20.226 75 HE2 HIS 10 HE2 HIS 10 10.822 -29.228 -21.461 76 H MET 11 H MET 11 7.922 -30.523 -17.838 77 HA MET 11 HA MET 11 6.284 -28.415 -19.103 78 HB2 MET 11 2HB MET 11 5.985 -27.328 -16.916 79 HB3 MET 11 3HB MET 11 5.277 -28.938 -16.929 80 HG2 MET 11 2HG MET 11 7.153 -29.824 -15.697 81 HG3 MET 11 3HG MET 11 7.977 -28.266 -15.775 82 HE1 MET 11 3HE MET 11 7.196 -26.101 -14.433 83 HE2 MET 11 1HE MET 11 5.684 -26.023 -13.530 84 HE3 MET 11 2HE MET 11 5.654 -26.211 -15.283 85 H SER 12 H SER 12 7.209 -26.150 -18.287 86 HA SER 12 HA SER 12 10.163 -26.273 -18.488 87 HB2 SER 12 2HB SER 12 10.064 -24.066 -19.584 88 HB3 SER 12 3HB SER 12 9.120 -25.260 -20.472 89 HG SER 12 HG SER 12 7.699 -23.679 -20.338 90 H THR 13 H THR 13 11.407 -24.885 -17.197 91 HA THR 13 HA THR 13 9.968 -23.405 -15.082 92 HB THR 13 HB THR 13 11.680 -24.097 -13.433 93 HG1 THR 13 HG1 THR 13 13.447 -24.959 -14.202 94 HG21 THR 13 3HG2 THR 13 10.248 -26.414 -14.750 95 HG22 THR 13 1HG2 THR 13 9.578 -25.338 -13.522 96 HG23 THR 13 2HG2 THR 13 10.912 -26.417 -13.115 97 HA PRO 14 HA PRO 14 12.976 -20.314 -16.584 98 HB2 PRO 14 2HB PRO 14 11.654 -18.156 -15.654 99 HB3 PRO 14 3HB PRO 14 11.142 -19.000 -17.118 100 HG2 PRO 14 2HG PRO 14 10.054 -19.227 -14.329 101 HG3 PRO 14 3HG PRO 14 9.174 -19.088 -15.864 102 HD2 PRO 14 2HD PRO 14 9.569 -21.471 -14.595 103 HD3 PRO 14 3HD PRO 14 9.425 -21.326 -16.359 104 H LEU 15 H LEU 15 13.911 -18.292 -15.270 105 HA LEU 15 HA LEU 15 15.100 -19.365 -12.898 106 HB2 LEU 15 2HB LEU 15 15.262 -16.597 -14.096 107 HB3 LEU 15 3HB LEU 15 16.221 -17.142 -12.732 108 HG LEU 15 HG LEU 15 16.355 -18.181 -15.570 109 HD11 LEU 15 1HD1 LEU 15 17.447 -16.037 -15.248 110 HD12 LEU 15 2HD1 LEU 15 18.644 -17.307 -15.493 111 HD13 LEU 15 3HD1 LEU 15 18.346 -16.677 -13.871 112 HD21 LEU 15 3HD2 LEU 15 17.870 -19.124 -13.124 113 HD22 LEU 15 1HD2 LEU 15 18.183 -19.626 -14.788 114 HD23 LEU 15 2HD2 LEU 15 16.652 -20.040 -14.015 115 H THR 16 H THR 16 13.880 -19.583 -11.141 116 HA THR 16 HA THR 16 11.793 -17.734 -10.423 117 HB THR 16 HB THR 16 11.523 -19.101 -8.381 118 HG1 THR 16 HG1 THR 16 13.018 -20.482 -7.759 119 HG21 THR 16 3HG2 THR 16 10.396 -19.806 -10.442 120 HG22 THR 16 1HG2 THR 16 10.872 -21.200 -9.473 121 HG23 THR 16 2HG2 THR 16 11.812 -20.753 -10.898 122 H GLY 17 H GLY 17 12.306 -15.775 -9.698 123 HA2 GLY 17 2HA GLY 17 13.827 -15.465 -7.279 124 HA3 GLY 17 3HA GLY 17 14.659 -14.824 -8.688 125 H LYS 18 H LYS 18 14.578 -12.699 -8.120 126 HA LYS 18 HA LYS 18 13.793 -10.583 -8.079 127 HB2 LYS 18 2HB LYS 18 11.157 -11.750 -9.014 128 HB3 LYS 18 3HB LYS 18 11.605 -10.049 -9.049 129 HG2 LYS 18 2HG LYS 18 12.862 -12.280 -10.646 130 HG3 LYS 18 3HG LYS 18 11.819 -10.994 -11.255 131 HD2 LYS 18 2HD LYS 18 13.506 -9.325 -10.646 132 HD3 LYS 18 3HD LYS 18 14.545 -10.600 -10.004 133 HE2 LYS 18 2HE LYS 18 13.657 -10.302 -12.876 134 HE3 LYS 18 3HE LYS 18 15.257 -9.924 -12.241 135 HZ1 LYS 18 3HZ LYS 18 15.222 -12.086 -13.312 136 HZ2 LYS 18 1HZ LYS 18 13.997 -12.615 -12.276 137 HZ3 LYS 18 2HZ LYS 18 15.529 -12.262 -11.659 138 HA PRO 19 HA PRO 19 11.928 -10.324 -4.055 139 HB2 PRO 19 2HB PRO 19 12.115 -7.682 -3.655 140 HB3 PRO 19 3HB PRO 19 13.556 -8.700 -3.766 141 HG2 PRO 19 2HG PRO 19 12.351 -6.895 -5.825 142 HG3 PRO 19 3HG PRO 19 14.058 -7.174 -5.436 143 HD2 PRO 19 2HD PRO 19 12.682 -8.361 -7.544 144 HD3 PRO 19 3HD PRO 19 14.191 -8.970 -6.838 145 H GLY 20 H GLY 20 9.758 -10.925 -4.270 146 HA2 GLY 20 2HA GLY 20 7.727 -9.207 -5.331 147 HA3 GLY 20 3HA GLY 20 7.468 -10.630 -4.331 148 H ALA 21 H ALA 21 8.642 -7.281 -4.081 149 HA ALA 21 HA ALA 21 7.391 -7.086 -1.408 150 HB1 ALA 21 3HB ALA 21 9.835 -7.253 -1.248 151 HB2 ALA 21 1HB ALA 21 9.254 -5.680 -0.704 152 HB3 ALA 21 2HB ALA 21 9.999 -5.842 -2.294 153 H LEU 22 H LEU 22 8.070 -4.317 -1.069 154 HA LEU 22 HA LEU 22 6.047 -3.103 -2.813 155 HB2 LEU 22 2HB LEU 22 7.388 -2.058 -0.307 156 HB3 LEU 22 3HB LEU 22 6.112 -1.235 -1.185 157 HG LEU 22 HG LEU 22 5.828 -3.901 0.209 158 HD11 LEU 22 1HD1 LEU 22 6.117 -2.077 1.797 159 HD12 LEU 22 2HD1 LEU 22 4.463 -2.688 1.831 160 HD13 LEU 22 3HD1 LEU 22 4.825 -1.172 1.007 161 HD21 LEU 22 3HD2 LEU 22 4.348 -3.713 -1.721 162 HD22 LEU 22 1HD2 LEU 22 3.762 -2.157 -1.134 163 HD23 LEU 22 2HD2 LEU 22 3.431 -3.626 -0.220 164 HA PRO 23 HA PRO 23 8.944 -0.382 -5.013 165 HB2 PRO 23 2HB PRO 23 7.001 1.803 -4.487 166 HB3 PRO 23 3HB PRO 23 7.634 1.205 -6.024 167 HG2 PRO 23 2HG PRO 23 5.117 0.690 -5.258 168 HG3 PRO 23 3HG PRO 23 6.075 -0.508 -6.153 169 HD2 PRO 23 2HD PRO 23 5.434 -0.385 -3.227 170 HD3 PRO 23 3HD PRO 23 5.505 -1.793 -4.307 171 H ALA 24 H ALA 24 10.142 1.712 -4.616 172 HA ALA 24 HA ALA 24 10.991 1.785 -1.865 173 HB1 ALA 24 3HB ALA 24 12.688 3.357 -2.632 174 HB2 ALA 24 1HB ALA 24 11.871 3.501 -4.187 175 HB3 ALA 24 2HB ALA 24 12.596 1.966 -3.710 176 H ASN 25 H ASN 25 9.919 4.433 -4.027 177 HA ASN 25 HA ASN 25 9.486 6.184 -1.764 178 HB2 ASN 25 2HB ASN 25 8.977 6.644 -4.713 179 HB3 ASN 25 3HB ASN 25 8.941 7.875 -3.457 180 HD21 ASN 25 1HD2 ASN 25 10.580 9.054 -4.447 181 HD22 ASN 25 2HD2 ASN 25 12.224 8.534 -4.403 182 H LEU 26 H LEU 26 7.802 4.609 -0.907 183 HA LEU 26 HA LEU 26 5.340 4.154 -2.151 184 HB2 LEU 26 2HB LEU 26 6.033 4.247 0.788 185 HB3 LEU 26 3HB LEU 26 4.504 3.656 0.162 186 HG LEU 26 HG LEU 26 7.212 2.453 -0.449 187 HD11 LEU 26 1HD1 LEU 26 6.442 0.572 0.930 188 HD12 LEU 26 2HD1 LEU 26 4.998 1.490 1.363 189 HD13 LEU 26 3HD1 LEU 26 6.592 2.063 1.862 190 HD21 LEU 26 3HD2 LEU 26 5.615 2.182 -2.286 191 HD22 LEU 26 1HD2 LEU 26 4.433 1.505 -1.164 192 HD23 LEU 26 2HD2 LEU 26 5.938 0.644 -1.486 193 H ASP 27 H ASP 27 6.109 6.681 0.291 194 HA ASP 27 HA ASP 27 3.472 7.772 0.208 195 HB2 ASP 27 2HB ASP 27 4.948 7.961 2.188 196 HB3 ASP 27 3HB ASP 27 6.002 9.043 1.280 197 H ASP 28 H ASP 28 6.225 8.180 -1.792 198 HA ASP 28 HA ASP 28 5.403 10.719 -2.891 199 HB2 ASP 28 2HB ASP 28 7.422 8.682 -3.849 200 HB3 ASP 28 3HB ASP 28 7.162 10.256 -4.596 201 H MET 29 H MET 29 4.783 7.350 -3.528 202 HA MET 29 HA MET 29 3.617 7.642 -6.099 203 HB2 MET 29 2HB MET 29 3.124 5.574 -3.940 204 HB3 MET 29 3HB MET 29 2.516 5.462 -5.587 205 HG2 MET 29 2HG MET 29 4.798 5.399 -6.441 206 HG3 MET 29 3HG MET 29 5.424 5.552 -4.800 207 HE1 MET 29 3HE MET 29 2.297 3.449 -5.968 208 HE2 MET 29 1HE MET 29 3.041 1.880 -6.283 209 HE3 MET 29 2HE MET 29 3.428 3.262 -7.311 210 H LYS 30 H LYS 30 1.515 8.017 -6.716 211 HA LYS 30 HA LYS 30 0.017 9.762 -5.058 212 HB2 LYS 30 2HB LYS 30 -0.707 8.415 -7.666 213 HB3 LYS 30 3HB LYS 30 -1.640 9.707 -6.919 214 HG2 LYS 30 2HG LYS 30 0.182 11.256 -7.170 215 HG3 LYS 30 3HG LYS 30 1.253 9.973 -7.734 216 HD2 LYS 30 2HD LYS 30 -1.244 10.907 -9.161 217 HD3 LYS 30 3HD LYS 30 0.404 11.390 -9.574 218 HE2 LYS 30 2HE LYS 30 0.961 9.020 -9.997 219 HE3 LYS 30 3HE LYS 30 -0.714 8.581 -9.654 220 HZ1 LYS 30 3HZ LYS 30 -0.308 8.776 -12.022 221 HZ2 LYS 30 1HZ LYS 30 0.189 10.379 -11.839 222 HZ3 LYS 30 2HZ LYS 30 -1.416 9.943 -11.515 223 H VAL 31 H VAL 31 -2.129 9.524 -4.269 224 HA VAL 31 HA VAL 31 -2.552 7.368 -2.616 225 HB VAL 31 HB VAL 31 -4.738 9.119 -3.769 226 HG11 VAL 31 1HG1 VAL 31 -5.606 7.198 -2.546 227 HG12 VAL 31 2HG1 VAL 31 -5.892 8.685 -1.646 228 HG13 VAL 31 3HG1 VAL 31 -4.589 7.600 -1.163 229 HG21 VAL 31 3HG2 VAL 31 -2.974 9.601 -1.357 230 HG22 VAL 31 1HG2 VAL 31 -4.334 10.606 -1.865 231 HG23 VAL 31 2HG2 VAL 31 -2.902 10.478 -2.889 232 H ALA 32 H ALA 32 -3.930 7.845 -5.867 233 HA ALA 32 HA ALA 32 -5.538 5.531 -5.920 234 HB1 ALA 32 3HB ALA 32 -4.222 6.921 -8.254 235 HB2 ALA 32 1HB ALA 32 -5.755 7.386 -7.521 236 HB3 ALA 32 2HB ALA 32 -5.601 5.826 -8.332 237 H GLU 33 H GLU 33 -2.116 6.012 -6.738 238 HA GLU 33 HA GLU 33 -1.661 3.480 -7.917 239 HB2 GLU 33 2HB GLU 33 0.298 5.271 -6.451 240 HB3 GLU 33 3HB GLU 33 0.735 3.909 -7.476 241 HG2 GLU 33 2HG GLU 33 -0.416 5.089 -9.372 242 HG3 GLU 33 3HG GLU 33 -0.567 6.491 -8.312 243 H LEU 34 H LEU 34 -1.392 4.624 -4.574 244 HA LEU 34 HA LEU 34 -0.409 2.251 -3.416 245 HB2 LEU 34 2HB LEU 34 -2.226 4.343 -2.194 246 HB3 LEU 34 3HB LEU 34 -1.326 3.133 -1.297 247 HG LEU 34 HG LEU 34 -0.124 5.377 -2.934 248 HD11 LEU 34 1HD1 LEU 34 -1.146 6.177 -0.879 249 HD12 LEU 34 2HD1 LEU 34 0.611 6.254 -0.764 250 HD13 LEU 34 3HD1 LEU 34 -0.269 4.964 0.053 251 HD21 LEU 34 3HD2 LEU 34 1.288 3.389 -2.997 252 HD22 LEU 34 1HD2 LEU 34 1.221 3.266 -1.237 253 HD23 LEU 34 2HD2 LEU 34 2.022 4.642 -2.000 254 H LYS 35 H LYS 35 -3.752 3.391 -3.868 255 HA LYS 35 HA LYS 35 -5.036 1.130 -2.771 256 HB2 LYS 35 2HB LYS 35 -6.009 3.078 -4.875 257 HB3 LYS 35 3HB LYS 35 -7.033 1.925 -4.028 258 HG2 LYS 35 2HG LYS 35 -6.544 3.015 -1.906 259 HG3 LYS 35 3HG LYS 35 -5.455 4.140 -2.720 260 HD2 LYS 35 2HD LYS 35 -7.328 5.031 -4.016 261 HD3 LYS 35 3HD LYS 35 -8.426 3.890 -3.230 262 HE2 LYS 35 2HE LYS 35 -8.002 4.924 -1.072 263 HE3 LYS 35 3HE LYS 35 -6.810 6.003 -1.793 264 HZ1 LYS 35 3HZ LYS 35 -8.555 7.021 -3.100 265 HZ2 LYS 35 1HZ LYS 35 -8.939 7.095 -1.455 266 HZ3 LYS 35 2HZ LYS 35 -9.704 5.963 -2.450 267 H GLN 36 H GLN 36 -3.791 1.771 -6.006 268 HA GLN 36 HA GLN 36 -4.935 -0.429 -7.345 269 HB2 GLN 36 2HB GLN 36 -3.800 1.531 -8.420 270 HB3 GLN 36 3HB GLN 36 -2.255 0.877 -7.908 271 HG2 GLN 36 2HG GLN 36 -4.066 -0.821 -9.568 272 HG3 GLN 36 3HG GLN 36 -3.170 0.483 -10.340 273 HE21 GLN 36 1HE2 GLN 36 -2.923 -2.370 -10.761 274 HE22 GLN 36 2HE2 GLN 36 -1.289 -2.782 -10.388 275 H GLU 37 H GLU 37 -1.868 -0.125 -5.562 276 HA GLU 37 HA GLU 37 -1.052 -2.824 -5.888 277 HB2 GLU 37 2HB GLU 37 -0.342 -0.620 -3.977 278 HB3 GLU 37 3HB GLU 37 0.231 -2.251 -3.660 279 HG2 GLU 37 2HG GLU 37 0.752 -0.702 -6.195 280 HG3 GLU 37 3HG GLU 37 1.879 -0.853 -4.847 281 H LEU 38 H LEU 38 -2.846 -1.195 -3.276 282 HA LEU 38 HA LEU 38 -3.104 -3.296 -1.486 283 HB2 LEU 38 2HB LEU 38 -4.967 -1.033 -2.149 284 HB3 LEU 38 3HB LEU 38 -5.287 -2.147 -0.833 285 HG LEU 38 HG LEU 38 -2.807 -0.425 -1.027 286 HD11 LEU 38 1HD1 LEU 38 -5.324 -0.003 0.583 287 HD12 LEU 38 2HD1 LEU 38 -4.792 0.966 -0.792 288 HD13 LEU 38 3HD1 LEU 38 -3.850 0.957 0.698 289 HD21 LEU 38 3HD2 LEU 38 -2.533 -1.018 1.342 290 HD22 LEU 38 1HD2 LEU 38 -2.495 -2.445 0.308 291 HD23 LEU 38 2HD2 LEU 38 -3.945 -2.075 1.244 292 H LYS 39 H LYS 39 -5.407 -2.458 -4.113 293 HA LYS 39 HA LYS 39 -7.250 -4.494 -3.579 294 HB2 LYS 39 2HB LYS 39 -8.118 -4.127 -5.829 295 HB3 LYS 39 3HB LYS 39 -7.772 -2.601 -5.029 296 HG2 LYS 39 2HG LYS 39 -5.701 -2.386 -6.303 297 HG3 LYS 39 3HG LYS 39 -6.016 -3.934 -7.089 298 HD2 LYS 39 2HD LYS 39 -6.647 -2.046 -8.527 299 HD3 LYS 39 3HD LYS 39 -8.049 -3.029 -8.098 300 HE2 LYS 39 2HE LYS 39 -8.662 -1.401 -6.368 301 HE3 LYS 39 3HE LYS 39 -7.253 -0.424 -6.783 302 HZ1 LYS 39 3HZ LYS 39 -9.479 -1.061 -8.640 303 HZ2 LYS 39 1HZ LYS 39 -8.166 -0.043 -8.954 304 HZ3 LYS 39 2HZ LYS 39 -9.311 0.392 -7.794 305 H LEU 40 H LEU 40 -4.384 -4.550 -5.683 306 HA LEU 40 HA LEU 40 -4.722 -7.108 -6.796 307 HB2 LEU 40 2HB LEU 40 -2.154 -5.694 -6.048 308 HB3 LEU 40 3HB LEU 40 -2.260 -7.096 -7.095 309 HG LEU 40 HG LEU 40 -3.424 -4.368 -7.688 310 HD11 LEU 40 1HD1 LEU 40 -1.030 -5.798 -8.843 311 HD12 LEU 40 2HD1 LEU 40 -1.001 -4.362 -7.817 312 HD13 LEU 40 3HD1 LEU 40 -1.699 -4.277 -9.435 313 HD21 LEU 40 3HD2 LEU 40 -4.773 -6.151 -8.663 314 HD22 LEU 40 1HD2 LEU 40 -3.331 -6.864 -9.384 315 HD23 LEU 40 2HD2 LEU 40 -3.889 -5.277 -9.912 316 H ARG 41 H ARG 41 -3.671 -6.090 -3.650 317 HA ARG 41 HA ARG 41 -2.699 -8.772 -2.941 318 HB2 ARG 41 2HB ARG 41 -2.530 -6.190 -1.367 319 HB3 ARG 41 3HB ARG 41 -1.669 -7.690 -1.029 320 HG2 ARG 41 2HG ARG 41 -0.366 -7.465 -3.035 321 HG3 ARG 41 3HG ARG 41 -1.320 -6.075 -3.551 322 HD2 ARG 41 2HD ARG 41 -0.509 -4.817 -1.592 323 HD3 ARG 41 3HD ARG 41 0.476 -6.204 -1.123 324 HE ARG 41 HE ARG 41 0.875 -4.577 -3.557 325 HH11 ARG 41 1HH1 ARG 41 2.060 -6.718 -1.133 326 HH12 ARG 41 2HH1 ARG 41 3.688 -6.648 -1.701 327 HH21 ARG 41 1HH2 ARG 41 2.958 -4.519 -4.309 328 HH22 ARG 41 2HH2 ARG 41 4.193 -5.431 -3.504 329 H SER 42 H SER 42 -5.617 -7.626 -3.095 330 HA SER 42 HA SER 42 -7.614 -8.062 -2.090 331 HB2 SER 42 2HB SER 42 -6.009 -9.965 -0.355 332 HB3 SER 42 3HB SER 42 -7.766 -9.936 -0.497 333 HG SER 42 HG SER 42 -7.536 -10.473 -2.701 334 H LEU 43 H LEU 43 -5.643 -6.062 -0.965 335 HA LEU 43 HA LEU 43 -6.419 -5.864 1.840 336 HB2 LEU 43 2HB LEU 43 -4.557 -4.243 0.096 337 HB3 LEU 43 3HB LEU 43 -4.879 -3.860 1.778 338 HG LEU 43 HG LEU 43 -3.738 -6.522 0.910 339 HD11 LEU 43 1HD1 LEU 43 -2.215 -4.731 0.210 340 HD12 LEU 43 2HD1 LEU 43 -1.545 -5.667 1.542 341 HD13 LEU 43 3HD1 LEU 43 -2.234 -4.074 1.845 342 HD21 LEU 43 3HD2 LEU 43 -4.787 -6.485 3.114 343 HD22 LEU 43 1HD2 LEU 43 -3.811 -5.084 3.563 344 HD23 LEU 43 2HD2 LEU 43 -3.034 -6.641 3.258 345 HA PRO 44 HA PRO 44 -9.729 -2.880 1.241 346 HB2 PRO 44 2HB PRO 44 -8.636 -1.561 3.676 347 HB3 PRO 44 3HB PRO 44 -10.270 -2.144 3.347 348 HG2 PRO 44 2HG PRO 44 -8.640 -3.471 4.995 349 HG3 PRO 44 3HG PRO 44 -9.752 -4.326 3.911 350 HD2 PRO 44 2HD PRO 44 -6.796 -3.927 3.666 351 HD3 PRO 44 3HD PRO 44 -7.786 -5.338 3.239 352 H VAL 45 H VAL 45 -9.858 -1.003 0.083 353 HA VAL 45 HA VAL 45 -7.356 0.516 -0.308 354 HB VAL 45 HB VAL 45 -8.274 1.205 -2.480 355 HG11 VAL 45 1HG1 VAL 45 -6.924 -0.824 -2.371 356 HG12 VAL 45 2HG1 VAL 45 -8.179 -0.980 -3.601 357 HG13 VAL 45 3HG1 VAL 45 -8.366 -1.786 -2.043 358 HG21 VAL 45 3HG2 VAL 45 -10.638 -0.539 -1.753 359 HG22 VAL 45 1HG2 VAL 45 -10.349 0.177 -3.340 360 HG23 VAL 45 2HG2 VAL 45 -10.649 1.214 -1.945 361 H SER 46 H SER 46 -10.410 0.839 1.110 362 HA SER 46 HA SER 46 -10.828 3.639 0.462 363 HB2 SER 46 2HB SER 46 -12.844 3.394 1.929 364 HB3 SER 46 3HB SER 46 -12.784 2.232 0.605 365 HG SER 46 HG SER 46 -12.835 1.784 3.273 366 H GLY 47 H GLY 47 -8.393 3.140 1.904 367 HA2 GLY 47 2HA GLY 47 -8.957 4.427 4.511 368 HA3 GLY 47 3HA GLY 47 -7.509 3.511 4.137 369 H THR 48 H THR 48 -7.074 5.892 5.263 370 HA THR 48 HA THR 48 -6.718 7.976 3.279 371 HB THR 48 HB THR 48 -5.660 9.287 5.048 372 HG1 THR 48 HG1 THR 48 -6.035 7.083 6.810 373 HG21 THR 48 3HG2 THR 48 -7.517 9.394 6.639 374 HG22 THR 48 1HG2 THR 48 -8.109 7.831 6.068 375 HG23 THR 48 2HG2 THR 48 -8.112 9.227 4.986 376 H LYS 49 H LYS 49 -4.581 8.998 2.916 377 HA LYS 49 HA LYS 49 -2.825 7.529 1.527 378 HB2 LYS 49 2HB LYS 49 -2.752 9.974 1.674 379 HB3 LYS 49 3HB LYS 49 -2.079 9.868 3.295 380 HG2 LYS 49 2HG LYS 49 -0.273 10.350 1.851 381 HG3 LYS 49 3HG LYS 49 -0.113 8.648 2.283 382 HD2 LYS 49 2HD LYS 49 -1.094 7.996 0.146 383 HD3 LYS 49 3HD LYS 49 -1.344 9.691 -0.276 384 HE2 LYS 49 2HE LYS 49 1.287 8.257 0.084 385 HE3 LYS 49 3HE LYS 49 0.628 8.929 -1.406 386 HZ1 LYS 49 3HZ LYS 49 1.666 10.392 0.949 387 HZ2 LYS 49 1HZ LYS 49 0.721 11.146 -0.239 388 HZ3 LYS 49 2HZ LYS 49 2.210 10.461 -0.649 389 H THR 50 H THR 50 -2.095 8.395 4.927 390 HA THR 50 HA THR 50 0.224 6.851 5.157 391 HB THR 50 HB THR 50 -1.679 7.634 7.381 392 HG1 THR 50 HG1 THR 50 -0.422 9.495 7.514 393 HG21 THR 50 3HG2 THR 50 -0.069 5.921 8.096 394 HG22 THR 50 1HG2 THR 50 0.296 7.480 8.840 395 HG23 THR 50 2HG2 THR 50 1.259 6.904 7.480 396 H GLU 51 H GLU 51 -3.150 5.965 5.876 397 HA GLU 51 HA GLU 51 -2.623 3.466 7.082 398 HB2 GLU 51 2HB GLU 51 -5.049 4.394 5.525 399 HB3 GLU 51 3HB GLU 51 -4.986 2.924 6.488 400 HG2 GLU 51 2HG GLU 51 -4.574 4.273 8.499 401 HG3 GLU 51 3HG GLU 51 -4.679 5.739 7.521 402 H LEU 52 H LEU 52 -3.189 4.373 3.698 403 HA LEU 52 HA LEU 52 -3.318 1.818 2.565 404 HB2 LEU 52 2HB LEU 52 -2.049 4.237 1.265 405 HB3 LEU 52 3HB LEU 52 -2.790 2.867 0.457 406 HG LEU 52 HG LEU 52 -4.237 4.951 2.102 407 HD11 LEU 52 1HD1 LEU 52 -3.484 5.821 -0.031 408 HD12 LEU 52 2HD1 LEU 52 -5.235 5.623 -0.024 409 HD13 LEU 52 3HD1 LEU 52 -4.220 4.456 -0.872 410 HD21 LEU 52 3HD2 LEU 52 -6.297 3.871 1.395 411 HD22 LEU 52 1HD2 LEU 52 -5.288 2.736 2.294 412 HD23 LEU 52 2HD2 LEU 52 -5.378 2.633 0.534 413 H ILE 53 H ILE 53 -0.519 3.922 3.118 414 HA ILE 53 HA ILE 53 1.462 2.255 2.002 415 HB ILE 53 HB ILE 53 1.778 4.303 4.212 416 HG12 ILE 53 2HG1 ILE 53 2.085 4.661 1.217 417 HG13 ILE 53 3HG1 ILE 53 0.680 5.176 2.146 418 HG21 ILE 53 1HG2 ILE 53 3.812 3.127 2.307 419 HG22 ILE 53 2HG2 ILE 53 3.726 2.866 4.049 420 HG23 ILE 53 3HG2 ILE 53 4.113 4.465 3.418 421 HD11 ILE 53 3HD1 ILE 53 3.494 6.196 2.485 422 HD12 ILE 53 1HD1 ILE 53 2.089 6.709 3.421 423 HD13 ILE 53 2HD1 ILE 53 2.161 7.034 1.691 424 H GLU 54 H GLU 54 0.677 2.805 5.456 425 HA GLU 54 HA GLU 54 2.468 0.908 6.483 426 HB2 GLU 54 2HB GLU 54 -0.107 1.944 7.687 427 HB3 GLU 54 3HB GLU 54 1.123 1.048 8.568 428 HG2 GLU 54 2HG GLU 54 1.486 3.741 7.261 429 HG3 GLU 54 3HG GLU 54 1.294 3.439 8.986 430 H ARG 55 H ARG 55 -0.860 0.538 5.387 431 HA ARG 55 HA ARG 55 -1.289 -2.103 6.274 432 HB2 ARG 55 2HB ARG 55 -3.107 -0.681 5.520 433 HB3 ARG 55 3HB ARG 55 -2.421 -0.605 3.904 434 HG2 ARG 55 2HG ARG 55 -2.920 -2.917 3.510 435 HG3 ARG 55 3HG ARG 55 -3.411 -3.148 5.191 436 HD2 ARG 55 2HD ARG 55 -4.777 -1.254 3.275 437 HD3 ARG 55 3HD ARG 55 -5.314 -2.905 3.581 438 HE ARG 55 HE ARG 55 -5.315 -1.970 6.044 439 HH11 ARG 55 1HH1 ARG 55 -6.465 -0.407 3.180 440 HH12 ARG 55 2HH1 ARG 55 -7.657 0.499 4.047 441 HH21 ARG 55 1HH2 ARG 55 -6.843 -0.812 7.107 442 HH22 ARG 55 2HH2 ARG 55 -7.864 0.278 6.234 443 H LEU 56 H LEU 56 -0.019 -0.870 3.172 444 HA LEU 56 HA LEU 56 0.508 -3.314 1.911 445 HB2 LEU 56 2HB LEU 56 1.928 -0.650 1.764 446 HB3 LEU 56 3HB LEU 56 2.367 -2.005 0.744 447 HG LEU 56 HG LEU 56 -0.382 -0.743 0.775 448 HD11 LEU 56 1HD1 LEU 56 1.891 -0.326 -1.174 449 HD12 LEU 56 2HD1 LEU 56 1.282 0.860 -0.021 450 HD13 LEU 56 3HD1 LEU 56 0.253 0.309 -1.341 451 HD21 LEU 56 3HD2 LEU 56 -0.685 -1.997 -1.317 452 HD22 LEU 56 1HD2 LEU 56 -0.369 -3.071 0.047 453 HD23 LEU 56 2HD2 LEU 56 0.913 -2.721 -1.114 454 H ARG 57 H ARG 57 2.542 -1.415 4.111 455 HA ARG 57 HA ARG 57 4.830 -3.082 4.012 456 HB2 ARG 57 2HB ARG 57 3.934 -1.208 6.218 457 HB3 ARG 57 3HB ARG 57 5.560 -1.847 6.009 458 HG2 ARG 57 2HG ARG 57 5.798 -0.644 3.912 459 HG3 ARG 57 3HG ARG 57 4.135 -0.065 4.033 460 HD2 ARG 57 2HD ARG 57 5.660 1.678 4.731 461 HD3 ARG 57 3HD ARG 57 4.724 1.117 6.118 462 HE ARG 57 HE ARG 57 7.252 -0.211 5.839 463 HH11 ARG 57 1HH1 ARG 57 5.648 2.543 7.138 464 HH12 ARG 57 2HH1 ARG 57 6.889 2.849 8.302 465 HH21 ARG 57 1HH2 ARG 57 8.821 0.166 7.326 466 HH22 ARG 57 2HH2 ARG 57 8.682 1.508 8.409 467 H ALA 58 H ALA 58 2.072 -2.982 6.263 468 HA ALA 58 HA ALA 58 2.969 -4.942 8.067 469 HB1 ALA 58 3HB ALA 58 0.641 -5.123 8.765 470 HB2 ALA 58 1HB ALA 58 0.121 -4.272 7.310 471 HB3 ALA 58 2HB ALA 58 1.088 -3.433 8.524 472 H TYR 59 H TYR 59 1.086 -5.216 5.085 473 HA TYR 59 HA TYR 59 0.569 -7.966 5.114 474 HB2 TYR 59 2HB TYR 59 -0.532 -6.500 3.539 475 HB3 TYR 59 3HB TYR 59 1.001 -6.053 2.806 476 HD1 TYR 59 HD2 TYR 59 -1.214 -9.011 3.371 477 HD2 TYR 59 HD1 TYR 59 1.751 -7.189 0.912 478 HE1 TYR 59 HE2 TYR 59 -1.489 -10.805 1.713 479 HE2 TYR 59 HE1 TYR 59 1.481 -8.978 -0.748 480 HH TYR 59 HH TYR 59 -1.098 -11.281 -0.574 481 H GLN 60 H GLN 60 3.317 -6.216 3.632 482 HA GLN 60 HA GLN 60 4.674 -8.548 2.743 483 HB2 GLN 60 2HB GLN 60 5.623 -5.728 3.255 484 HB3 GLN 60 3HB GLN 60 6.678 -6.982 2.618 485 HG2 GLN 60 2HG GLN 60 4.112 -6.074 1.319 486 HG3 GLN 60 3HG GLN 60 5.720 -5.504 0.887 487 HE21 GLN 60 1HE2 GLN 60 6.958 -8.122 1.220 488 HE22 GLN 60 2HE2 GLN 60 6.463 -9.052 -0.147 489 H ASP 61 H ASP 61 4.690 -6.822 5.790 490 HA ASP 61 HA ASP 61 7.004 -7.961 6.923 491 HB2 ASP 61 2HB ASP 61 6.041 -6.045 7.967 492 HB3 ASP 61 3HB ASP 61 4.481 -6.839 8.145 493 H GLN 62 H GLN 62 3.641 -9.065 6.880 494 HA GLN 62 HA GLN 62 3.918 -11.265 8.612 495 HB2 GLN 62 2HB GLN 62 2.006 -10.867 6.302 496 HB3 GLN 62 3HB GLN 62 1.837 -12.093 7.552 497 HG2 GLN 62 2HG GLN 62 1.580 -10.379 9.246 498 HG3 GLN 62 3HG GLN 62 1.845 -9.120 8.043 499 HE21 GLN 62 1HE2 GLN 62 -0.379 -11.517 9.231 500 HE22 GLN 62 2HE2 GLN 62 -1.766 -10.925 8.392 501 H ILE 63 H ILE 63 4.076 -11.137 5.044 502 HA ILE 63 HA ILE 63 4.837 -13.914 4.855 503 HB ILE 63 HB ILE 63 5.089 -13.501 2.441 504 HG12 ILE 63 2HG1 ILE 63 4.399 -10.622 3.124 505 HG13 ILE 63 3HG1 ILE 63 5.965 -11.189 2.557 506 HG21 ILE 63 1HG2 ILE 63 2.739 -12.944 1.975 507 HG22 ILE 63 2HG2 ILE 63 2.558 -12.352 3.627 508 HG23 ILE 63 3HG2 ILE 63 2.897 -14.058 3.333 509 HD11 ILE 63 3HD1 ILE 63 3.383 -11.273 1.009 510 HD12 ILE 63 1HD1 ILE 63 4.945 -11.861 0.435 511 HD13 ILE 63 2HD1 ILE 63 4.716 -10.141 0.769 512 H SER 64 H SER 64 6.514 -10.947 5.280 513 HA SER 64 HA SER 64 8.699 -10.410 5.589 514 HB2 SER 64 2HB SER 64 8.824 -12.526 6.878 515 HB3 SER 64 3HB SER 64 9.235 -13.390 5.400 516 HG SER 64 HG SER 64 11.219 -12.723 5.576 517 HA PRO 65 HA PRO 65 10.388 -9.707 1.526 518 HB2 PRO 65 2HB PRO 65 13.124 -9.873 2.232 519 HB3 PRO 65 3HB PRO 65 12.135 -8.412 2.167 520 HG2 PRO 65 2HG PRO 65 12.864 -10.108 4.508 521 HG3 PRO 65 3HG PRO 65 12.624 -8.353 4.419 522 HD2 PRO 65 2HD PRO 65 10.780 -9.945 5.533 523 HD3 PRO 65 3HD PRO 65 10.302 -8.542 4.552 524 H VAL 66 H VAL 66 10.070 -11.380 0.172 525 HA VAL 66 HA VAL 66 10.782 -14.050 0.677 526 HB VAL 66 HB VAL 66 10.145 -14.509 -1.652 527 HG11 VAL 66 1HG1 VAL 66 7.835 -13.667 -1.546 528 HG12 VAL 66 2HG1 VAL 66 8.310 -12.546 -0.270 529 HG13 VAL 66 3HG1 VAL 66 8.383 -14.285 0.014 530 HG21 VAL 66 3HG2 VAL 66 9.439 -12.684 -3.140 531 HG22 VAL 66 1HG2 VAL 66 11.152 -12.560 -2.736 532 HG23 VAL 66 2HG2 VAL 66 9.979 -11.504 -1.949 533 HA PRO 67 HA PRO 67 15.080 -14.036 -0.645 534 HB2 PRO 67 2HB PRO 67 15.534 -16.692 -0.495 535 HB3 PRO 67 3HB PRO 67 15.331 -15.697 0.952 536 HG2 PRO 67 2HG PRO 67 13.329 -17.462 -0.426 537 HG3 PRO 67 3HG PRO 67 13.677 -17.307 1.308 538 HD2 PRO 67 2HD PRO 67 11.578 -16.057 0.096 539 HD3 PRO 67 3HD PRO 67 12.406 -15.400 1.520 540 H GLY 68 H GLY 68 13.556 -13.512 -2.785 541 HA2 GLY 68 2HA GLY 68 13.625 -13.694 -5.092 542 HA3 GLY 68 3HA GLY 68 14.726 -15.052 -4.914 543 H ALA 69 H ALA 69 11.298 -14.153 -4.650 544 HA ALA 69 HA ALA 69 10.464 -16.503 -6.050 545 HB1 ALA 69 3HB ALA 69 9.788 -16.342 -3.111 546 HB2 ALA 69 1HB ALA 69 10.881 -17.507 -3.861 547 HB3 ALA 69 2HB ALA 69 9.162 -17.531 -4.253 548 HA PRO 70 HA PRO 70 7.179 -13.482 -6.666 549 HB2 PRO 70 2HB PRO 70 5.786 -14.818 -8.547 550 HB3 PRO 70 3HB PRO 70 7.347 -14.065 -8.899 551 HG2 PRO 70 2HG PRO 70 6.724 -16.939 -8.306 552 HG3 PRO 70 3HG PRO 70 7.788 -16.260 -9.552 553 HD2 PRO 70 2HD PRO 70 8.703 -17.256 -7.172 554 HD3 PRO 70 3HD PRO 70 9.537 -15.977 -8.079 555 H LYS 71 H LYS 71 5.109 -13.178 -5.896 556 HA LYS 71 HA LYS 71 4.043 -15.109 -4.053 557 HB2 LYS 71 2HB LYS 71 2.820 -12.535 -5.080 558 HB3 LYS 71 3HB LYS 71 2.305 -13.429 -3.656 559 HG2 LYS 71 2HG LYS 71 4.320 -12.902 -2.489 560 HG3 LYS 71 3HG LYS 71 5.059 -12.234 -3.947 561 HD2 LYS 71 2HD LYS 71 2.635 -11.107 -2.525 562 HD3 LYS 71 3HD LYS 71 4.275 -10.468 -2.417 563 HE2 LYS 71 2HE LYS 71 4.260 -10.002 -4.821 564 HE3 LYS 71 3HE LYS 71 2.633 -10.667 -4.948 565 HZ1 LYS 71 3HZ LYS 71 2.583 -8.270 -4.851 566 HZ2 LYS 71 1HZ LYS 71 3.417 -8.271 -3.383 567 HZ3 LYS 71 2HZ LYS 71 1.853 -8.915 -3.469 568 H ALA 72 H ALA 72 3.105 -13.869 -7.224 569 HA ALA 72 HA ALA 72 1.046 -15.972 -7.469 570 HB1 ALA 72 3HB ALA 72 1.378 -13.400 -9.031 571 HB2 ALA 72 1HB ALA 72 0.204 -13.693 -7.749 572 HB3 ALA 72 2HB ALA 72 0.092 -14.587 -9.265 573 HA PRO 73 HA PRO 73 3.548 -17.963 -10.583 574 HB2 PRO 73 2HB PRO 73 1.689 -19.195 -12.100 575 HB3 PRO 73 3HB PRO 73 2.011 -19.679 -10.430 576 HG2 PRO 73 2HG PRO 73 -0.191 -17.949 -11.508 577 HG3 PRO 73 3HG PRO 73 -0.284 -19.259 -10.316 578 HD2 PRO 73 2HD PRO 73 -0.216 -16.618 -9.633 579 HD3 PRO 73 3HD PRO 73 0.422 -17.905 -8.591 580 H ALA 74 H ALA 74 3.148 -15.182 -11.155 581 HA ALA 74 HA ALA 74 3.448 -15.189 -14.041 582 HB1 ALA 74 3HB ALA 74 1.020 -14.918 -13.777 583 HB2 ALA 74 1HB ALA 74 1.763 -13.464 -14.446 584 HB3 ALA 74 2HB ALA 74 1.288 -13.512 -12.748 585 H ALA 75 H ALA 75 3.717 -12.692 -14.723 586 HA ALA 75 HA ALA 75 5.887 -11.694 -13.032 587 HB1 ALA 75 3HB ALA 75 5.061 -10.877 -15.821 588 HB2 ALA 75 1HB ALA 75 6.341 -12.017 -15.407 589 HB3 ALA 75 2HB ALA 75 6.500 -10.317 -14.963 Start of MODEL 4 1 H1 MET 1 1H MET 1 -21.804 -3.900 -59.336 2 H2 MET 1 2H MET 1 -20.977 -2.567 -58.705 3 H3 MET 1 3H MET 1 -22.658 -2.516 -58.870 4 HA MET 1 HA MET 1 -22.919 -4.266 -57.247 5 HB2 MET 1 2HB MET 1 -20.967 -5.018 -55.943 6 HB3 MET 1 3HB MET 1 -20.815 -5.429 -57.644 7 HG2 MET 1 2HG MET 1 -19.284 -3.563 -57.979 8 HG3 MET 1 3HG MET 1 -19.464 -3.099 -56.288 9 HE1 MET 1 3HE MET 1 -15.792 -4.514 -56.509 10 HE2 MET 1 1HE MET 1 -16.784 -3.110 -56.116 11 HE3 MET 1 2HE MET 1 -16.645 -3.652 -57.791 12 H GLY 2 H GLY 2 -23.248 -3.735 -55.041 13 HA2 GLY 2 2HA GLY 2 -23.247 -0.889 -54.544 14 HA3 GLY 2 3HA GLY 2 -23.923 -2.133 -53.507 15 H HIS 3 H HIS 3 -22.053 0.285 -53.102 16 HA HIS 3 HA HIS 3 -19.833 -1.131 -51.758 17 HB2 HIS 3 2HB HIS 3 -18.571 0.982 -51.865 18 HB3 HIS 3 3HB HIS 3 -19.062 0.446 -53.465 19 HD1 HIS 3 HD1 HIS 3 -19.232 3.303 -51.183 20 HD2 HIS 3 HD2 HIS 3 -21.258 2.006 -54.570 21 HE1 HIS 3 HE1 HIS 3 -20.473 5.309 -52.035 22 HE2 HIS 3 HE2 HIS 3 -21.608 4.529 -54.140 23 H HIS 4 H HIS 4 -20.171 -1.414 -49.657 24 HA HIS 4 HA HIS 4 -21.292 0.802 -48.063 25 HB2 HIS 4 2HB HIS 4 -22.044 -2.124 -47.922 26 HB3 HIS 4 3HB HIS 4 -22.406 -0.981 -46.634 27 HD1 HIS 4 HD1 HIS 4 -24.558 0.243 -46.828 28 HD2 HIS 4 HD2 HIS 4 -23.366 -1.406 -50.453 29 HE1 HIS 4 HE1 HIS 4 -26.450 0.674 -48.417 30 HE2 HIS 4 HE2 HIS 4 -25.651 -0.203 -50.631 31 H HIS 5 H HIS 5 -20.878 0.464 -45.662 32 HA HIS 5 HA HIS 5 -18.182 -0.686 -45.261 33 HB2 HIS 5 2HB HIS 5 -19.419 1.754 -43.959 34 HB3 HIS 5 3HB HIS 5 -17.852 1.072 -43.530 35 HD1 HIS 5 HD1 HIS 5 -16.011 1.131 -45.471 36 HD2 HIS 5 HD2 HIS 5 -19.368 3.486 -46.106 37 HE1 HIS 5 HE1 HIS 5 -15.382 2.706 -47.315 38 HE2 HIS 5 HE2 HIS 5 -17.498 3.954 -47.829 39 H HIS 6 H HIS 6 -17.693 -1.586 -43.185 40 HA HIS 6 HA HIS 6 -19.997 -2.327 -41.523 41 HB2 HIS 6 2HB HIS 6 -19.841 -4.102 -43.174 42 HB3 HIS 6 3HB HIS 6 -18.125 -4.303 -42.848 43 HD1 HIS 6 HD1 HIS 6 -17.553 -6.098 -41.224 44 HD2 HIS 6 HD2 HIS 6 -21.488 -4.817 -40.801 45 HE1 HIS 6 HE1 HIS 6 -18.578 -7.626 -39.524 46 HE2 HIS 6 HE2 HIS 6 -20.910 -6.755 -39.182 47 H HIS 7 H HIS 7 -19.553 -2.484 -39.412 48 HA HIS 7 HA HIS 7 -17.177 -1.421 -38.362 49 HB2 HIS 7 2HB HIS 7 -19.187 -1.148 -37.127 50 HB3 HIS 7 3HB HIS 7 -19.501 -2.878 -37.103 51 HD1 HIS 7 HD1 HIS 7 -17.447 -0.224 -35.425 52 HD2 HIS 7 HD2 HIS 7 -18.232 -4.292 -35.056 53 HE1 HIS 7 HE1 HIS 7 -16.477 -0.899 -33.213 54 HE2 HIS 7 HE2 HIS 7 -17.125 -3.316 -32.934 55 H HIS 8 H HIS 8 -15.352 -2.271 -37.517 56 HA HIS 8 HA HIS 8 -15.081 -5.212 -37.340 57 HB2 HIS 8 2HB HIS 8 -12.938 -3.102 -37.743 58 HB3 HIS 8 3HB HIS 8 -12.629 -4.822 -37.537 59 HD1 HIS 8 HD1 HIS 8 -13.020 -6.346 -39.543 60 HD2 HIS 8 HD2 HIS 8 -14.009 -2.376 -40.270 61 HE1 HIS 8 HE1 HIS 8 -13.319 -6.170 -42.027 62 HE2 HIS 8 HE2 HIS 8 -14.008 -3.789 -42.435 63 H SER 9 H SER 9 -15.211 -5.913 -35.280 64 HA SER 9 HA SER 9 -14.891 -4.148 -33.043 65 HB2 SER 9 2HB SER 9 -15.285 -7.151 -33.153 66 HB3 SER 9 3HB SER 9 -15.306 -6.194 -31.671 67 HG SER 9 HG SER 9 -17.390 -6.686 -32.854 68 H HIS 10 H HIS 10 -13.411 -4.404 -31.275 69 HA HIS 10 HA HIS 10 -11.016 -5.972 -31.579 70 HB2 HIS 10 2HB HIS 10 -9.499 -3.940 -31.595 71 HB3 HIS 10 3HB HIS 10 -10.352 -4.264 -33.100 72 HD1 HIS 10 HD1 HIS 10 -12.183 -2.572 -33.820 73 HD2 HIS 10 HD2 HIS 10 -10.219 -1.562 -30.298 74 HE1 HIS 10 HE1 HIS 10 -12.828 -0.196 -33.347 75 HE2 HIS 10 HE2 HIS 10 -11.742 0.343 -31.146 76 H MET 11 H MET 11 -10.209 -6.458 -29.628 77 HA MET 11 HA MET 11 -10.842 -4.695 -27.338 78 HB2 MET 11 2HB MET 11 -10.954 -7.721 -27.371 79 HB3 MET 11 3HB MET 11 -11.183 -6.713 -25.949 80 HG2 MET 11 2HG MET 11 -13.179 -5.732 -26.972 81 HG3 MET 11 3HG MET 11 -12.946 -6.749 -28.394 82 HE1 MET 11 3HE MET 11 -13.680 -6.680 -24.551 83 HE2 MET 11 1HE MET 11 -12.318 -7.796 -24.628 84 HE3 MET 11 2HE MET 11 -13.918 -8.390 -24.188 85 H SER 12 H SER 12 -9.510 -5.518 -25.324 86 HA SER 12 HA SER 12 -6.883 -6.596 -25.958 87 HB2 SER 12 2HB SER 12 -7.201 -3.756 -24.942 88 HB3 SER 12 3HB SER 12 -5.680 -4.648 -24.923 89 HG SER 12 HG SER 12 -6.824 -4.743 -27.375 90 H THR 13 H THR 13 -6.200 -7.848 -24.321 91 HA THR 13 HA THR 13 -7.436 -7.499 -21.654 92 HB THR 13 HB THR 13 -6.946 -9.885 -21.254 93 HG1 THR 13 HG1 THR 13 -5.338 -10.597 -22.479 94 HG21 THR 13 3HG2 THR 13 -8.443 -9.410 -23.840 95 HG22 THR 13 1HG2 THR 13 -9.121 -9.292 -22.216 96 HG23 THR 13 2HG2 THR 13 -8.567 -10.850 -22.831 97 HA PRO 14 HA PRO 14 -3.370 -6.638 -20.025 98 HB2 PRO 14 2HB PRO 14 -3.761 -7.163 -17.410 99 HB3 PRO 14 3HB PRO 14 -4.517 -5.776 -18.205 100 HG2 PRO 14 2HG PRO 14 -5.690 -8.467 -17.572 101 HG3 PRO 14 3HG PRO 14 -6.399 -6.859 -17.329 102 HD2 PRO 14 2HD PRO 14 -7.022 -8.439 -19.459 103 HD3 PRO 14 3HD PRO 14 -7.031 -6.665 -19.545 104 H LEU 15 H LEU 15 -1.651 -7.697 -18.559 105 HA LEU 15 HA LEU 15 -1.336 -10.457 -19.441 106 HB2 LEU 15 2HB LEU 15 0.571 -8.636 -17.962 107 HB3 LEU 15 3HB LEU 15 0.965 -10.237 -18.561 108 HG LEU 15 HG LEU 15 0.230 -7.845 -20.263 109 HD11 LEU 15 1HD1 LEU 15 2.549 -7.920 -21.009 110 HD12 LEU 15 2HD1 LEU 15 2.877 -9.254 -19.902 111 HD13 LEU 15 3HD1 LEU 15 2.457 -7.663 -19.267 112 HD21 LEU 15 3HD2 LEU 15 1.040 -10.639 -21.077 113 HD22 LEU 15 1HD2 LEU 15 0.808 -9.275 -22.169 114 HD23 LEU 15 2HD2 LEU 15 -0.561 -9.922 -21.265 115 H THR 16 H THR 16 -0.587 -12.144 -17.977 116 HA THR 16 HA THR 16 -2.213 -12.241 -15.580 117 HB THR 16 HB THR 16 -1.481 -14.591 -15.420 118 HG1 THR 16 HG1 THR 16 0.671 -14.220 -16.300 119 HG21 THR 16 3HG2 THR 16 -3.378 -14.060 -16.881 120 HG22 THR 16 1HG2 THR 16 -2.442 -15.405 -17.529 121 HG23 THR 16 2HG2 THR 16 -2.275 -13.798 -18.231 122 H GLY 17 H GLY 17 -1.483 -11.549 -13.635 123 HA2 GLY 17 2HA GLY 17 0.362 -12.445 -12.020 124 HA3 GLY 17 3HA GLY 17 1.420 -11.567 -13.110 125 H LYS 18 H LYS 18 1.581 -10.915 -10.551 126 HA LYS 18 HA LYS 18 0.923 -8.140 -10.534 127 HB2 LYS 18 2HB LYS 18 -0.447 -8.166 -8.453 128 HB3 LYS 18 3HB LYS 18 -1.255 -8.892 -9.834 129 HG2 LYS 18 2HG LYS 18 -0.693 -11.128 -8.975 130 HG3 LYS 18 3HG LYS 18 0.077 -10.380 -7.573 131 HD2 LYS 18 2HD LYS 18 -2.056 -9.371 -6.924 132 HD3 LYS 18 3HD LYS 18 -2.833 -10.069 -8.345 133 HE2 LYS 18 2HE LYS 18 -2.412 -12.314 -7.504 134 HE3 LYS 18 3HE LYS 18 -1.555 -11.651 -6.110 135 HZ1 LYS 18 3HZ LYS 18 -4.413 -11.137 -6.726 136 HZ2 LYS 18 1HZ LYS 18 -3.574 -10.643 -5.344 137 HZ3 LYS 18 2HZ LYS 18 -3.863 -12.285 -5.616 138 HA PRO 19 HA PRO 19 4.567 -7.979 -8.092 139 HB2 PRO 19 2HB PRO 19 3.418 -5.740 -6.524 140 HB3 PRO 19 3HB PRO 19 4.849 -5.776 -7.562 141 HG2 PRO 19 2HG PRO 19 2.614 -4.524 -8.334 142 HG3 PRO 19 3HG PRO 19 3.619 -5.412 -9.494 143 HD2 PRO 19 2HD PRO 19 1.048 -6.250 -8.179 144 HD3 PRO 19 3HD PRO 19 1.565 -6.445 -9.869 145 H GLY 20 H GLY 20 5.320 -9.113 -6.403 146 HA2 GLY 20 2HA GLY 20 3.586 -9.660 -4.099 147 HA3 GLY 20 3HA GLY 20 5.098 -10.469 -4.481 148 H ALA 21 H ALA 21 6.841 -8.367 -4.749 149 HA ALA 21 HA ALA 21 7.242 -7.553 -2.012 150 HB1 ALA 21 3HB ALA 21 9.125 -8.252 -3.406 151 HB2 ALA 21 1HB ALA 21 9.344 -6.602 -2.827 152 HB3 ALA 21 2HB ALA 21 8.840 -6.892 -4.491 153 H LEU 22 H LEU 22 8.206 -5.131 -1.858 154 HA LEU 22 HA LEU 22 6.312 -3.268 -3.151 155 HB2 LEU 22 2HB LEU 22 7.076 -3.397 -0.236 156 HB3 LEU 22 3HB LEU 22 6.335 -1.983 -0.960 157 HG LEU 22 HG LEU 22 5.075 -4.729 -0.796 158 HD11 LEU 22 1HD1 LEU 22 3.570 -3.706 0.832 159 HD12 LEU 22 2HD1 LEU 22 4.467 -2.191 0.723 160 HD13 LEU 22 3HD1 LEU 22 5.243 -3.630 1.385 161 HD21 LEU 22 3HD2 LEU 22 3.041 -3.583 -1.589 162 HD22 LEU 22 1HD2 LEU 22 4.340 -3.521 -2.783 163 HD23 LEU 22 2HD2 LEU 22 3.971 -2.100 -1.805 164 HA PRO 23 HA PRO 23 10.009 -0.704 -3.610 165 HB2 PRO 23 2HB PRO 23 8.853 1.554 -4.487 166 HB3 PRO 23 3HB PRO 23 8.909 0.101 -5.494 167 HG2 PRO 23 2HG PRO 23 6.646 1.199 -3.869 168 HG3 PRO 23 3HG PRO 23 6.614 0.481 -5.490 169 HD2 PRO 23 2HD PRO 23 5.948 -0.863 -3.164 170 HD3 PRO 23 3HD PRO 23 6.477 -1.649 -4.665 171 H ALA 24 H ALA 24 10.825 1.444 -2.803 172 HA ALA 24 HA ALA 24 9.823 2.006 -0.112 173 HB1 ALA 24 3HB ALA 24 12.234 1.655 -0.431 174 HB2 ALA 24 1HB ALA 24 11.883 3.264 0.199 175 HB3 ALA 24 2HB ALA 24 12.293 3.056 -1.503 176 H ASN 25 H ASN 25 9.139 3.120 -3.133 177 HA ASN 25 HA ASN 25 9.040 5.971 -2.555 178 HB2 ASN 25 2HB ASN 25 8.106 4.440 -5.000 179 HB3 ASN 25 3HB ASN 25 8.267 6.190 -4.875 180 HD21 ASN 25 1HD2 ASN 25 9.734 6.300 -6.549 181 HD22 ASN 25 2HD2 ASN 25 11.355 5.719 -6.415 182 H LEU 26 H LEU 26 7.235 3.948 -1.150 183 HA LEU 26 HA LEU 26 4.637 3.954 -2.122 184 HB2 LEU 26 2HB LEU 26 5.580 3.861 0.744 185 HB3 LEU 26 3HB LEU 26 3.950 3.472 0.222 186 HG LEU 26 HG LEU 26 6.451 1.973 -0.604 187 HD11 LEU 26 1HD1 LEU 26 5.574 0.160 0.788 188 HD12 LEU 26 2HD1 LEU 26 4.238 1.190 1.299 189 HD13 LEU 26 3HD1 LEU 26 5.892 1.606 1.748 190 HD21 LEU 26 3HD2 LEU 26 4.898 0.352 -1.587 191 HD22 LEU 26 1HD2 LEU 26 4.738 1.936 -2.347 192 HD23 LEU 26 2HD2 LEU 26 3.538 1.396 -1.172 193 H ASP 27 H ASP 27 5.992 6.250 0.299 194 HA ASP 27 HA ASP 27 3.558 7.787 0.353 195 HB2 ASP 27 2HB ASP 27 5.154 7.558 2.289 196 HB3 ASP 27 3HB ASP 27 6.270 8.610 1.424 197 H ASP 28 H ASP 28 6.273 7.738 -1.707 198 HA ASP 28 HA ASP 28 6.149 10.511 -2.511 199 HB2 ASP 28 2HB ASP 28 8.270 9.212 -2.557 200 HB3 ASP 28 3HB ASP 28 7.599 8.197 -3.831 201 H MET 29 H MET 29 4.758 7.485 -3.571 202 HA MET 29 HA MET 29 3.908 8.494 -6.146 203 HB2 MET 29 2HB MET 29 3.180 5.939 -4.697 204 HB3 MET 29 3HB MET 29 2.752 6.319 -6.357 205 HG2 MET 29 2HG MET 29 5.132 6.410 -6.946 206 HG3 MET 29 3HG MET 29 5.547 5.993 -5.284 207 HE1 MET 29 3HE MET 29 4.764 3.660 -4.140 208 HE2 MET 29 1HE MET 29 3.938 2.383 -5.031 209 HE3 MET 29 2HE MET 29 3.109 3.903 -4.696 210 H LYS 30 H LYS 30 1.517 8.092 -6.739 211 HA LYS 30 HA LYS 30 -0.072 9.860 -5.115 212 HB2 LYS 30 2HB LYS 30 -0.797 8.303 -7.613 213 HB3 LYS 30 3HB LYS 30 -1.768 9.580 -6.892 214 HG2 LYS 30 2HG LYS 30 -0.043 11.213 -7.358 215 HG3 LYS 30 3HG LYS 30 1.018 9.951 -7.985 216 HD2 LYS 30 2HD LYS 30 -1.656 10.747 -9.151 217 HD3 LYS 30 3HD LYS 30 -0.078 11.210 -9.790 218 HE2 LYS 30 2HE LYS 30 0.449 8.841 -10.192 219 HE3 LYS 30 3HE LYS 30 -1.133 8.382 -9.558 220 HZ1 LYS 30 3HZ LYS 30 -1.166 8.437 -11.954 221 HZ2 LYS 30 1HZ LYS 30 -0.629 10.042 -11.971 222 HZ3 LYS 30 2HZ LYS 30 -2.154 9.667 -11.349 223 H VAL 31 H VAL 31 -2.206 9.369 -4.300 224 HA VAL 31 HA VAL 31 -2.370 7.071 -2.708 225 HB VAL 31 HB VAL 31 -4.658 8.825 -3.644 226 HG11 VAL 31 1HG1 VAL 31 -5.805 8.088 -1.600 227 HG12 VAL 31 2HG1 VAL 31 -4.466 6.994 -1.246 228 HG13 VAL 31 3HG1 VAL 31 -5.460 6.735 -2.679 229 HG21 VAL 31 3HG2 VAL 31 -4.317 10.080 -1.565 230 HG22 VAL 31 1HG2 VAL 31 -2.883 10.139 -2.590 231 HG23 VAL 31 2HG2 VAL 31 -2.918 9.078 -1.182 232 H ALA 32 H ALA 32 -3.665 7.709 -5.938 233 HA ALA 32 HA ALA 32 -5.265 5.431 -6.251 234 HB1 ALA 32 3HB ALA 32 -3.666 6.904 -8.347 235 HB2 ALA 32 1HB ALA 32 -5.298 7.304 -7.810 236 HB3 ALA 32 2HB ALA 32 -4.996 5.788 -8.661 237 H GLU 33 H GLU 33 -1.773 5.850 -6.678 238 HA GLU 33 HA GLU 33 -1.210 3.328 -7.826 239 HB2 GLU 33 2HB GLU 33 0.597 4.996 -6.056 240 HB3 GLU 33 3HB GLU 33 1.104 3.755 -7.194 241 HG2 GLU 33 2HG GLU 33 -0.210 6.379 -7.896 242 HG3 GLU 33 3HG GLU 33 1.501 5.992 -8.072 243 H LEU 34 H LEU 34 -1.155 4.459 -4.465 244 HA LEU 34 HA LEU 34 -0.409 2.080 -3.200 245 HB2 LEU 34 2HB LEU 34 -2.287 4.221 -2.172 246 HB3 LEU 34 3HB LEU 34 -1.440 3.040 -1.187 247 HG LEU 34 HG LEU 34 -0.064 5.148 -2.866 248 HD11 LEU 34 1HD1 LEU 34 0.374 6.307 -0.758 249 HD12 LEU 34 2HD1 LEU 34 -0.619 5.131 0.103 250 HD13 LEU 34 3HD1 LEU 34 -1.354 6.200 -1.092 251 HD21 LEU 34 3HD2 LEU 34 1.295 3.155 -2.469 252 HD22 LEU 34 1HD2 LEU 34 0.995 3.283 -0.736 253 HD23 LEU 34 2HD2 LEU 34 1.921 4.533 -1.567 254 H LYS 35 H LYS 35 -3.692 3.349 -3.804 255 HA LYS 35 HA LYS 35 -5.119 1.114 -2.880 256 HB2 LYS 35 2HB LYS 35 -5.874 3.148 -4.994 257 HB3 LYS 35 3HB LYS 35 -6.995 1.994 -4.278 258 HG2 LYS 35 2HG LYS 35 -6.532 2.999 -2.053 259 HG3 LYS 35 3HG LYS 35 -5.529 4.213 -2.847 260 HD2 LYS 35 2HD LYS 35 -8.469 3.757 -3.391 261 HD3 LYS 35 3HD LYS 35 -7.818 5.022 -2.350 262 HE2 LYS 35 2HE LYS 35 -6.642 6.001 -4.255 263 HE3 LYS 35 3HE LYS 35 -7.242 4.715 -5.301 264 HZ1 LYS 35 3HZ LYS 35 -8.896 6.748 -3.906 265 HZ2 LYS 35 1HZ LYS 35 -9.503 5.478 -4.842 266 HZ3 LYS 35 2HZ LYS 35 -8.570 6.690 -5.564 267 H GLN 36 H GLN 36 -3.579 1.744 -5.963 268 HA GLN 36 HA GLN 36 -4.726 -0.360 -7.461 269 HB2 GLN 36 2HB GLN 36 -3.482 1.567 -8.421 270 HB3 GLN 36 3HB GLN 36 -1.994 0.924 -7.757 271 HG2 GLN 36 2HG GLN 36 -3.672 -0.588 -9.747 272 HG3 GLN 36 3HG GLN 36 -2.426 0.557 -10.228 273 HE21 GLN 36 1HE2 GLN 36 -0.659 -0.221 -7.983 274 HE22 GLN 36 2HE2 GLN 36 -0.019 -1.760 -8.411 275 H GLU 37 H GLU 37 -1.727 -0.217 -5.526 276 HA GLU 37 HA GLU 37 -0.988 -2.924 -5.917 277 HB2 GLU 37 2HB GLU 37 -0.302 -0.897 -3.792 278 HB3 GLU 37 3HB GLU 37 0.342 -2.531 -3.753 279 HG2 GLU 37 2HG GLU 37 0.713 -0.597 -6.038 280 HG3 GLU 37 3HG GLU 37 1.886 -0.881 -4.752 281 H LEU 38 H LEU 38 -2.934 -1.334 -3.414 282 HA LEU 38 HA LEU 38 -3.306 -3.504 -1.694 283 HB2 LEU 38 2HB LEU 38 -5.115 -1.185 -2.358 284 HB3 LEU 38 3HB LEU 38 -5.458 -2.328 -1.072 285 HG LEU 38 HG LEU 38 -2.988 -0.582 -1.184 286 HD11 LEU 38 1HD1 LEU 38 -4.066 0.729 0.580 287 HD12 LEU 38 2HD1 LEU 38 -5.532 -0.238 0.403 288 HD13 LEU 38 3HD1 LEU 38 -4.978 0.781 -0.928 289 HD21 LEU 38 3HD2 LEU 38 -4.122 -2.320 1.019 290 HD22 LEU 38 1HD2 LEU 38 -2.733 -1.243 1.171 291 HD23 LEU 38 2HD2 LEU 38 -2.657 -2.634 0.091 292 H LYS 39 H LYS 39 -5.421 -2.456 -4.392 293 HA LYS 39 HA LYS 39 -7.370 -4.441 -4.037 294 HB2 LYS 39 2HB LYS 39 -8.141 -3.898 -6.294 295 HB3 LYS 39 3HB LYS 39 -7.785 -2.446 -5.372 296 HG2 LYS 39 2HG LYS 39 -5.654 -2.219 -6.539 297 HG3 LYS 39 3HG LYS 39 -6.003 -3.680 -7.461 298 HD2 LYS 39 2HD LYS 39 -6.503 -1.749 -8.820 299 HD3 LYS 39 3HD LYS 39 -8.011 -2.561 -8.400 300 HE2 LYS 39 2HE LYS 39 -6.945 -0.190 -6.864 301 HE3 LYS 39 3HE LYS 39 -8.005 -0.021 -8.261 302 HZ1 LYS 39 3HZ LYS 39 -9.307 0.051 -6.280 303 HZ2 LYS 39 1HZ LYS 39 -8.645 -1.390 -5.704 304 HZ3 LYS 39 2HZ LYS 39 -9.645 -1.406 -7.063 305 H LEU 40 H LEU 40 -4.329 -4.560 -5.816 306 HA LEU 40 HA LEU 40 -4.815 -7.023 -7.151 307 HB2 LEU 40 2HB LEU 40 -2.231 -5.692 -6.334 308 HB3 LEU 40 3HB LEU 40 -2.313 -7.137 -7.325 309 HG LEU 40 HG LEU 40 -3.395 -4.408 -8.065 310 HD11 LEU 40 1HD1 LEU 40 -1.647 -4.457 -9.780 311 HD12 LEU 40 2HD1 LEU 40 -1.059 -5.990 -9.138 312 HD13 LEU 40 3HD1 LEU 40 -0.966 -4.530 -8.154 313 HD21 LEU 40 3HD2 LEU 40 -4.810 -6.175 -8.973 314 HD22 LEU 40 1HD2 LEU 40 -3.392 -6.986 -9.640 315 HD23 LEU 40 2HD2 LEU 40 -3.875 -5.405 -10.253 316 H ARG 41 H ARG 41 -3.867 -6.238 -3.905 317 HA ARG 41 HA ARG 41 -3.064 -9.020 -3.359 318 HB2 ARG 41 2HB ARG 41 -2.708 -6.584 -1.602 319 HB3 ARG 41 3HB ARG 41 -1.954 -8.162 -1.395 320 HG2 ARG 41 2HG ARG 41 -0.653 -7.858 -3.404 321 HG3 ARG 41 3HG ARG 41 -1.479 -6.341 -3.751 322 HD2 ARG 41 2HD ARG 41 -0.573 -5.461 -1.573 323 HD3 ARG 41 3HD ARG 41 0.402 -6.929 -1.465 324 HE ARG 41 HE ARG 41 0.651 -4.872 -3.563 325 HH11 ARG 41 1HH1 ARG 41 1.969 -7.470 -1.731 326 HH12 ARG 41 2HH1 ARG 41 3.548 -7.290 -2.395 327 HH21 ARG 41 1HH2 ARG 41 2.686 -4.647 -4.421 328 HH22 ARG 41 2HH2 ARG 41 3.960 -5.689 -3.887 329 H SER 42 H SER 42 -5.886 -7.729 -3.518 330 HA SER 42 HA SER 42 -7.923 -7.997 -2.537 331 HB2 SER 42 2HB SER 42 -6.504 -10.096 -0.866 332 HB3 SER 42 3HB SER 42 -8.252 -9.913 -1.008 333 HG SER 42 HG SER 42 -7.226 -10.062 -3.466 334 H LEU 43 H LEU 43 -5.939 -6.105 -1.395 335 HA LEU 43 HA LEU 43 -6.680 -5.956 1.435 336 HB2 LEU 43 2HB LEU 43 -4.671 -4.470 -0.256 337 HB3 LEU 43 3HB LEU 43 -5.021 -4.026 1.404 338 HG LEU 43 HG LEU 43 -4.020 -6.768 0.611 339 HD11 LEU 43 1HD1 LEU 43 -2.353 -5.105 -0.026 340 HD12 LEU 43 2HD1 LEU 43 -1.813 -6.024 1.381 341 HD13 LEU 43 3HD1 LEU 43 -2.437 -4.386 1.584 342 HD21 LEU 43 3HD2 LEU 43 -5.179 -6.674 2.754 343 HD22 LEU 43 1HD2 LEU 43 -4.160 -5.326 3.264 344 HD23 LEU 43 2HD2 LEU 43 -3.450 -6.922 2.999 345 HA PRO 44 HA PRO 44 -9.821 -2.888 0.574 346 HB2 PRO 44 2HB PRO 44 -10.216 -1.983 3.107 347 HB3 PRO 44 3HB PRO 44 -10.799 -3.554 2.548 348 HG2 PRO 44 2HG PRO 44 -8.333 -2.905 4.125 349 HG3 PRO 44 3HG PRO 44 -9.507 -4.212 4.376 350 HD2 PRO 44 2HD PRO 44 -7.121 -4.611 3.142 351 HD3 PRO 44 3HD PRO 44 -8.580 -5.528 2.712 352 H VAL 45 H VAL 45 -9.950 -0.729 0.144 353 HA VAL 45 HA VAL 45 -7.574 0.930 0.678 354 HB VAL 45 HB VAL 45 -8.343 2.333 -1.164 355 HG11 VAL 45 1HG1 VAL 45 -8.404 -0.606 -1.882 356 HG12 VAL 45 2HG1 VAL 45 -6.958 0.385 -1.686 357 HG13 VAL 45 3HG1 VAL 45 -8.087 0.724 -2.998 358 HG21 VAL 45 3HG2 VAL 45 -10.707 0.446 -1.338 359 HG22 VAL 45 1HG2 VAL 45 -10.315 1.705 -2.510 360 HG23 VAL 45 2HG2 VAL 45 -10.761 2.145 -0.862 361 H SER 46 H SER 46 -9.385 0.553 2.815 362 HA SER 46 HA SER 46 -11.483 2.497 2.826 363 HB2 SER 46 2HB SER 46 -10.410 0.804 5.096 364 HB3 SER 46 3HB SER 46 -11.937 1.687 5.100 365 HG SER 46 HG SER 46 -12.658 -0.161 4.357 366 H GLY 47 H GLY 47 -8.175 2.593 3.963 367 HA2 GLY 47 2HA GLY 47 -8.760 4.822 5.779 368 HA3 GLY 47 3HA GLY 47 -7.241 3.956 5.660 369 H THR 48 H THR 48 -6.606 6.325 5.843 370 HA THR 48 HA THR 48 -6.710 7.869 3.384 371 HB THR 48 HB THR 48 -5.347 9.528 4.599 372 HG1 THR 48 HG1 THR 48 -4.330 9.028 6.404 373 HG21 THR 48 3HG2 THR 48 -7.641 8.484 6.276 374 HG22 THR 48 1HG2 THR 48 -7.790 9.565 4.891 375 HG23 THR 48 2HG2 THR 48 -6.959 10.109 6.349 376 H LYS 49 H LYS 49 -4.390 8.956 2.876 377 HA LYS 49 HA LYS 49 -2.918 7.176 1.416 378 HB2 LYS 49 2HB LYS 49 -2.693 9.611 1.198 379 HB3 LYS 49 3HB LYS 49 -1.855 9.684 2.744 380 HG2 LYS 49 2HG LYS 49 -0.046 8.290 1.802 381 HG3 LYS 49 3HG LYS 49 -0.880 8.296 0.246 382 HD2 LYS 49 2HD LYS 49 -0.669 10.749 0.156 383 HD3 LYS 49 3HD LYS 49 0.186 10.727 1.701 384 HE2 LYS 49 2HE LYS 49 1.950 9.345 0.694 385 HE3 LYS 49 3HE LYS 49 1.095 9.387 -0.848 386 HZ1 LYS 49 3HZ LYS 49 1.385 11.784 -0.901 387 HZ2 LYS 49 1HZ LYS 49 2.881 11.003 -0.784 388 HZ3 LYS 49 2HZ LYS 49 2.204 11.743 0.575 389 H THR 50 H THR 50 -1.815 8.416 4.602 390 HA THR 50 HA THR 50 0.420 6.745 4.823 391 HB THR 50 HB THR 50 -1.232 7.956 7.058 392 HG1 THR 50 HG1 THR 50 0.418 9.573 6.964 393 HG21 THR 50 3HG2 THR 50 1.603 6.883 7.121 394 HG22 THR 50 1HG2 THR 50 0.201 6.142 7.901 395 HG23 THR 50 2HG2 THR 50 0.782 7.715 8.441 396 H GLU 51 H GLU 51 -2.925 6.196 5.927 397 HA GLU 51 HA GLU 51 -2.566 3.808 7.300 398 HB2 GLU 51 2HB GLU 51 -4.661 5.321 6.989 399 HB3 GLU 51 3HB GLU 51 -4.968 4.346 5.562 400 HG2 GLU 51 2HG GLU 51 -4.601 3.166 8.290 401 HG3 GLU 51 3HG GLU 51 -6.164 3.694 7.684 402 H LEU 52 H LEU 52 -3.455 4.253 3.866 403 HA LEU 52 HA LEU 52 -3.441 1.588 3.072 404 HB2 LEU 52 2HB LEU 52 -2.488 3.907 1.379 405 HB3 LEU 52 3HB LEU 52 -3.166 2.392 0.811 406 HG LEU 52 HG LEU 52 -4.638 4.590 2.277 407 HD11 LEU 52 1HD1 LEU 52 -4.900 3.571 -0.547 408 HD12 LEU 52 2HD1 LEU 52 -4.180 5.103 -0.057 409 HD13 LEU 52 3HD1 LEU 52 -5.899 4.817 0.203 410 HD21 LEU 52 3HD2 LEU 52 -6.660 3.251 1.972 411 HD22 LEU 52 1HD2 LEU 52 -5.487 2.418 2.989 412 HD23 LEU 52 2HD2 LEU 52 -5.697 1.934 1.306 413 H ILE 53 H ILE 53 -0.748 3.887 3.221 414 HA ILE 53 HA ILE 53 1.277 2.232 2.182 415 HB ILE 53 HB ILE 53 1.496 4.457 4.224 416 HG12 ILE 53 2HG1 ILE 53 1.882 4.510 1.216 417 HG13 ILE 53 3HG1 ILE 53 0.461 5.115 2.060 418 HG21 ILE 53 1HG2 ILE 53 3.849 4.622 3.528 419 HG22 ILE 53 2HG2 ILE 53 3.641 3.198 2.506 420 HG23 ILE 53 3HG2 ILE 53 3.490 3.056 4.256 421 HD11 ILE 53 3HD1 ILE 53 3.263 6.175 2.342 422 HD12 ILE 53 1HD1 ILE 53 1.838 6.787 3.182 423 HD13 ILE 53 2HD1 ILE 53 1.953 6.917 1.427 424 H GLU 54 H GLU 54 0.272 2.789 5.567 425 HA GLU 54 HA GLU 54 2.084 0.988 6.763 426 HB2 GLU 54 2HB GLU 54 -0.558 2.126 7.653 427 HB3 GLU 54 3HB GLU 54 0.297 0.950 8.638 428 HG2 GLU 54 2HG GLU 54 1.399 3.611 7.748 429 HG3 GLU 54 3HG GLU 54 0.730 3.256 9.341 430 H ARG 55 H ARG 55 -1.121 0.506 5.390 431 HA ARG 55 HA ARG 55 -1.515 -2.146 6.275 432 HB2 ARG 55 2HB ARG 55 -3.292 -0.673 5.353 433 HB3 ARG 55 3HB ARG 55 -2.568 -0.836 3.756 434 HG2 ARG 55 2HG ARG 55 -3.050 -3.202 3.731 435 HG3 ARG 55 3HG ARG 55 -3.647 -3.135 5.391 436 HD2 ARG 55 2HD ARG 55 -4.859 -1.796 2.972 437 HD3 ARG 55 3HD ARG 55 -5.520 -3.166 3.863 438 HE ARG 55 HE ARG 55 -5.438 -0.376 4.757 439 HH11 ARG 55 1HH1 ARG 55 -6.365 -3.641 5.403 440 HH12 ARG 55 2HH1 ARG 55 -7.526 -3.179 6.593 441 HH21 ARG 55 1HH2 ARG 55 -6.905 0.175 6.284 442 HH22 ARG 55 2HH2 ARG 55 -7.831 -1.055 7.079 443 H LEU 56 H LEU 56 -0.154 -0.863 3.240 444 HA LEU 56 HA LEU 56 0.523 -3.300 2.032 445 HB2 LEU 56 2HB LEU 56 1.782 -0.560 1.872 446 HB3 LEU 56 3HB LEU 56 2.343 -1.904 0.896 447 HG LEU 56 HG LEU 56 -0.470 -0.799 0.818 448 HD11 LEU 56 1HD1 LEU 56 1.122 0.849 -0.011 449 HD12 LEU 56 2HD1 LEU 56 0.164 0.183 -1.333 450 HD13 LEU 56 3HD1 LEU 56 1.827 -0.355 -1.091 451 HD21 LEU 56 3HD2 LEU 56 0.941 -2.791 -0.964 452 HD22 LEU 56 1HD2 LEU 56 -0.683 -2.151 -1.219 453 HD23 LEU 56 2HD2 LEU 56 -0.341 -3.155 0.191 454 H ARG 57 H ARG 57 2.453 -1.227 4.194 455 HA ARG 57 HA ARG 57 4.753 -2.867 4.243 456 HB2 ARG 57 2HB ARG 57 3.717 -0.677 6.026 457 HB3 ARG 57 3HB ARG 57 5.179 -1.559 6.451 458 HG2 ARG 57 2HG ARG 57 6.414 -0.561 4.854 459 HG3 ARG 57 3HG ARG 57 5.100 -0.563 3.682 460 HD2 ARG 57 2HD ARG 57 5.758 1.710 4.294 461 HD3 ARG 57 3HD ARG 57 4.095 1.366 4.758 462 HE ARG 57 HE ARG 57 4.870 1.169 7.055 463 HH11 ARG 57 1HH1 ARG 57 7.074 2.602 4.838 464 HH12 ARG 57 2HH1 ARG 57 7.821 3.582 6.047 465 HH21 ARG 57 1HH2 ARG 57 5.835 2.425 8.590 466 HH22 ARG 57 2HH2 ARG 57 7.157 3.455 8.153 467 H ALA 58 H ALA 58 1.928 -2.763 6.397 468 HA ALA 58 HA ALA 58 2.870 -4.701 8.245 469 HB1 ALA 58 3HB ALA 58 0.557 -4.821 9.019 470 HB2 ALA 58 1HB ALA 58 0.022 -3.935 7.590 471 HB3 ALA 58 2HB ALA 58 1.054 -3.145 8.781 472 H TYR 59 H TYR 59 1.166 -4.936 5.182 473 HA TYR 59 HA TYR 59 0.602 -7.739 5.364 474 HB2 TYR 59 2HB TYR 59 -0.669 -6.195 3.898 475 HB3 TYR 59 3HB TYR 59 0.771 -5.960 2.917 476 HD1 TYR 59 HD2 TYR 59 -1.574 -8.600 4.101 477 HD2 TYR 59 HD1 TYR 59 1.174 -7.373 1.086 478 HE1 TYR 59 HE2 TYR 59 -2.232 -10.527 2.725 479 HE2 TYR 59 HE1 TYR 59 0.522 -9.295 -0.299 480 HH TYR 59 HH TYR 59 -2.211 -11.218 0.388 481 H GLN 60 H GLN 60 3.138 -5.812 3.778 482 HA GLN 60 HA GLN 60 4.542 -7.988 2.633 483 HB2 GLN 60 2HB GLN 60 4.827 -5.624 1.925 484 HB3 GLN 60 3HB GLN 60 5.631 -5.277 3.448 485 HG2 GLN 60 2HG GLN 60 7.278 -5.550 1.716 486 HG3 GLN 60 3HG GLN 60 7.400 -6.889 2.854 487 HE21 GLN 60 1HE2 GLN 60 4.934 -6.614 0.368 488 HE22 GLN 60 2HE2 GLN 60 5.480 -7.951 -0.577 489 H ASP 61 H ASP 61 4.778 -6.369 5.758 490 HA ASP 61 HA ASP 61 7.044 -7.456 6.875 491 HB2 ASP 61 2HB ASP 61 5.623 -5.811 8.000 492 HB3 ASP 61 3HB ASP 61 4.334 -6.997 8.161 493 H GLN 62 H GLN 62 3.997 -9.042 6.222 494 HA GLN 62 HA GLN 62 4.596 -11.384 7.818 495 HB2 GLN 62 2HB GLN 62 2.322 -10.918 5.877 496 HB3 GLN 62 3HB GLN 62 2.407 -12.168 7.113 497 HG2 GLN 62 2HG GLN 62 2.283 -10.533 8.866 498 HG3 GLN 62 3HG GLN 62 2.408 -9.212 7.706 499 HE21 GLN 62 1HE2 GLN 62 0.485 -8.291 8.343 500 HE22 GLN 62 2HE2 GLN 62 -1.053 -8.999 8.005 501 H ILE 63 H ILE 63 5.258 -10.395 4.599 502 HA ILE 63 HA ILE 63 5.826 -13.184 3.798 503 HB ILE 63 HB ILE 63 5.167 -12.634 1.481 504 HG12 ILE 63 2HG1 ILE 63 4.124 -10.051 2.686 505 HG13 ILE 63 3HG1 ILE 63 5.503 -10.186 1.601 506 HG21 ILE 63 1HG2 ILE 63 2.978 -12.188 3.516 507 HG22 ILE 63 2HG2 ILE 63 3.582 -13.751 2.963 508 HG23 ILE 63 3HG2 ILE 63 2.744 -12.682 1.837 509 HD11 ILE 63 3HD1 ILE 63 2.642 -10.831 0.926 510 HD12 ILE 63 1HD1 ILE 63 4.016 -11.002 -0.166 511 HD13 ILE 63 2HD1 ILE 63 3.547 -9.406 0.417 512 H SER 64 H SER 64 7.353 -10.437 4.542 513 HA SER 64 HA SER 64 9.192 -10.348 2.260 514 HB2 SER 64 2HB SER 64 8.418 -8.205 3.200 515 HB3 SER 64 3HB SER 64 9.104 -8.639 4.766 516 HG SER 64 HG SER 64 11.120 -8.394 3.971 517 HA PRO 65 HA PRO 65 12.284 -12.872 4.322 518 HB2 PRO 65 2HB PRO 65 14.283 -11.457 2.673 519 HB3 PRO 65 3HB PRO 65 13.848 -13.169 2.687 520 HG2 PRO 65 2HG PRO 65 13.175 -11.569 0.638 521 HG3 PRO 65 3HG PRO 65 12.113 -12.881 1.188 522 HD2 PRO 65 2HD PRO 65 11.932 -9.932 1.754 523 HD3 PRO 65 3HD PRO 65 10.641 -11.077 1.320 524 H VAL 66 H VAL 66 11.804 -11.417 6.257 525 HA VAL 66 HA VAL 66 14.158 -9.736 6.882 526 HB VAL 66 HB VAL 66 12.716 -8.385 8.369 527 HG11 VAL 66 1HG1 VAL 66 11.726 -8.499 5.516 528 HG12 VAL 66 2HG1 VAL 66 13.140 -7.613 6.092 529 HG13 VAL 66 3HG1 VAL 66 11.525 -7.142 6.628 530 HG21 VAL 66 3HG2 VAL 66 10.433 -9.975 7.182 531 HG22 VAL 66 1HG2 VAL 66 10.274 -8.566 8.232 532 HG23 VAL 66 2HG2 VAL 66 10.993 -10.051 8.854 533 HA PRO 67 HA PRO 67 14.976 -12.278 10.445 534 HB2 PRO 67 2HB PRO 67 15.543 -10.349 12.351 535 HB3 PRO 67 3HB PRO 67 16.686 -10.934 11.137 536 HG2 PRO 67 2HG PRO 67 14.993 -8.465 11.110 537 HG3 PRO 67 3HG PRO 67 16.680 -8.672 10.603 538 HD2 PRO 67 2HD PRO 67 14.691 -8.546 8.807 539 HD3 PRO 67 3HD PRO 67 16.079 -9.628 8.566 540 H GLY 68 H GLY 68 12.936 -9.420 11.195 541 HA2 GLY 68 2HA GLY 68 10.629 -10.708 11.853 542 HA3 GLY 68 3HA GLY 68 11.571 -10.817 13.329 543 H ALA 69 H ALA 69 11.761 -8.014 11.218 544 HA ALA 69 HA ALA 69 11.128 -5.847 11.428 545 HB1 ALA 69 3HB ALA 69 8.933 -6.905 13.213 546 HB2 ALA 69 1HB ALA 69 8.853 -6.776 11.454 547 HB3 ALA 69 2HB ALA 69 8.984 -5.319 12.440 548 HA PRO 70 HA PRO 70 13.108 -4.172 15.051 549 HB2 PRO 70 2HB PRO 70 11.837 -1.750 15.322 550 HB3 PRO 70 3HB PRO 70 13.099 -2.071 14.127 551 HG2 PRO 70 2HG PRO 70 10.117 -2.088 13.783 552 HG3 PRO 70 3HG PRO 70 11.363 -1.404 12.719 553 HD2 PRO 70 2HD PRO 70 10.202 -3.770 12.187 554 HD3 PRO 70 3HD PRO 70 11.918 -3.481 11.832 555 H LYS 71 H LYS 71 12.550 -5.397 16.813 556 HA LYS 71 HA LYS 71 9.949 -4.872 18.106 557 HB2 LYS 71 2HB LYS 71 11.755 -7.289 18.383 558 HB3 LYS 71 3HB LYS 71 10.208 -7.072 19.190 559 HG2 LYS 71 2HG LYS 71 10.651 -7.311 16.214 560 HG3 LYS 71 3HG LYS 71 9.974 -8.548 17.277 561 HD2 LYS 71 2HD LYS 71 8.071 -7.090 17.774 562 HD3 LYS 71 3HD LYS 71 8.759 -5.828 16.750 563 HE2 LYS 71 2HE LYS 71 8.608 -7.372 14.813 564 HE3 LYS 71 3HE LYS 71 7.822 -8.558 15.855 565 HZ1 LYS 71 3HZ LYS 71 6.783 -5.848 15.216 566 HZ2 LYS 71 1HZ LYS 71 6.031 -6.968 16.238 567 HZ3 LYS 71 2HZ LYS 71 6.203 -7.308 14.591 568 H ALA 72 H ALA 72 10.111 -3.499 19.752 569 HA ALA 72 HA ALA 72 12.148 -4.006 21.804 570 HB1 ALA 72 3HB ALA 72 11.593 -1.253 20.685 571 HB2 ALA 72 1HB ALA 72 13.058 -2.202 20.420 572 HB3 ALA 72 2HB ALA 72 12.660 -1.628 22.040 573 HA PRO 73 HA PRO 73 8.008 -3.250 23.697 574 HB2 PRO 73 2HB PRO 73 7.594 -5.630 24.819 575 HB3 PRO 73 3HB PRO 73 7.402 -5.413 23.074 576 HG2 PRO 73 2HG PRO 73 9.667 -6.646 24.597 577 HG3 PRO 73 3HG PRO 73 8.947 -7.143 23.054 578 HD2 PRO 73 2HD PRO 73 11.284 -5.610 23.361 579 HD3 PRO 73 3HD PRO 73 10.345 -5.783 21.865 580 H ALA 74 H ALA 74 11.045 -3.301 24.832 581 HA ALA 74 HA ALA 74 12.077 -2.812 26.790 582 HB1 ALA 74 3HB ALA 74 10.279 -1.173 27.110 583 HB2 ALA 74 1HB ALA 74 10.818 -1.861 28.641 584 HB3 ALA 74 2HB ALA 74 9.306 -2.403 27.915 585 H ALA 75 H ALA 75 9.140 -4.527 27.891 586 HA ALA 75 HA ALA 75 8.787 -6.497 28.945 587 HB1 ALA 75 3HB ALA 75 10.317 -8.351 28.554 588 HB2 ALA 75 1HB ALA 75 11.541 -7.232 27.953 589 HB3 ALA 75 2HB ALA 75 10.030 -7.445 27.068 Start of MODEL 5 1 H1 MET 1 1H MET 1 -46.108 10.624 -16.218 2 H2 MET 1 2H MET 1 -47.618 10.412 -15.497 3 H3 MET 1 3H MET 1 -47.100 9.343 -16.700 4 HA MET 1 HA MET 1 -45.856 9.680 -14.027 5 HB2 MET 1 2HB MET 1 -47.472 7.367 -15.136 6 HB3 MET 1 3HB MET 1 -46.736 7.441 -13.542 7 HG2 MET 1 2HG MET 1 -48.201 9.334 -12.974 8 HG3 MET 1 3HG MET 1 -48.956 9.204 -14.562 9 HE1 MET 1 3HE MET 1 -50.678 9.166 -11.876 10 HE2 MET 1 1HE MET 1 -51.806 7.866 -12.266 11 HE3 MET 1 2HE MET 1 -51.343 9.034 -13.506 12 H GLY 2 H GLY 2 -44.489 7.547 -13.608 13 HA2 GLY 2 2HA GLY 2 -43.468 5.779 -15.282 14 HA3 GLY 2 3HA GLY 2 -42.719 7.226 -15.933 15 H HIS 3 H HIS 3 -41.441 4.880 -14.810 16 HA HIS 3 HA HIS 3 -39.797 6.261 -12.797 17 HB2 HIS 3 2HB HIS 3 -40.736 3.384 -12.634 18 HB3 HIS 3 3HB HIS 3 -39.511 4.096 -11.585 19 HD1 HIS 3 HD1 HIS 3 -43.139 3.713 -11.968 20 HD2 HIS 3 HD2 HIS 3 -40.553 6.199 -9.873 21 HE1 HIS 3 HE1 HIS 3 -44.546 4.826 -10.216 22 HE2 HIS 3 HE2 HIS 3 -43.003 6.465 -9.098 23 H HIS 4 H HIS 4 -37.800 6.458 -13.528 24 HA HIS 4 HA HIS 4 -37.000 5.001 -15.910 25 HB2 HIS 4 2HB HIS 4 -35.053 6.624 -15.875 26 HB3 HIS 4 3HB HIS 4 -36.650 7.346 -16.028 27 HD1 HIS 4 HD1 HIS 4 -34.081 6.665 -13.293 28 HD2 HIS 4 HD2 HIS 4 -37.141 9.320 -14.230 29 HE1 HIS 4 HE1 HIS 4 -34.046 8.399 -11.484 30 HE2 HIS 4 HE2 HIS 4 -35.974 9.924 -12.001 31 H HIS 5 H HIS 5 -35.672 3.311 -15.965 32 HA HIS 5 HA HIS 5 -33.961 2.650 -13.676 33 HB2 HIS 5 2HB HIS 5 -35.330 0.864 -14.737 34 HB3 HIS 5 3HB HIS 5 -34.477 1.121 -16.251 35 HD1 HIS 5 HD1 HIS 5 -31.860 0.478 -16.211 36 HD2 HIS 5 HD2 HIS 5 -34.131 -0.903 -13.020 37 HE1 HIS 5 HE1 HIS 5 -30.499 -1.345 -15.163 38 HE2 HIS 5 HE2 HIS 5 -31.984 -2.304 -13.376 39 H HIS 6 H HIS 6 -31.732 2.799 -13.738 40 HA HIS 6 HA HIS 6 -30.524 3.831 -16.239 41 HB2 HIS 6 2HB HIS 6 -29.096 5.284 -14.963 42 HB3 HIS 6 3HB HIS 6 -30.748 5.550 -14.414 43 HD1 HIS 6 HD1 HIS 6 -27.402 4.641 -13.234 44 HD2 HIS 6 HD2 HIS 6 -31.300 4.348 -11.819 45 HE1 HIS 6 HE1 HIS 6 -27.195 4.150 -10.780 46 HE2 HIS 6 HE2 HIS 6 -29.557 4.090 -9.926 47 H HIS 7 H HIS 7 -27.930 3.722 -15.843 48 HA HIS 7 HA HIS 7 -27.317 0.975 -14.935 49 HB2 HIS 7 2HB HIS 7 -26.245 2.494 -17.321 50 HB3 HIS 7 3HB HIS 7 -25.495 1.025 -16.703 51 HD1 HIS 7 HD1 HIS 7 -28.086 2.189 -18.976 52 HD2 HIS 7 HD2 HIS 7 -27.281 -1.292 -16.857 53 HE1 HIS 7 HE1 HIS 7 -29.474 0.409 -20.062 54 HE2 HIS 7 HE2 HIS 7 -29.091 -1.650 -18.669 55 H HIS 8 H HIS 8 -24.976 0.642 -14.416 56 HA HIS 8 HA HIS 8 -23.457 3.047 -13.729 57 HB2 HIS 8 2HB HIS 8 -24.689 2.434 -11.662 58 HB3 HIS 8 3HB HIS 8 -23.958 0.833 -11.716 59 HD1 HIS 8 HD1 HIS 8 -23.117 4.440 -11.061 60 HD2 HIS 8 HD2 HIS 8 -21.344 0.690 -10.770 61 HE1 HIS 8 HE1 HIS 8 -20.987 4.797 -9.778 62 HE2 HIS 8 HE2 HIS 8 -20.000 2.501 -9.507 63 H SER 9 H SER 9 -21.870 2.642 -15.187 64 HA SER 9 HA SER 9 -20.854 -0.010 -15.683 65 HB2 SER 9 2HB SER 9 -19.919 2.675 -16.731 66 HB3 SER 9 3HB SER 9 -19.413 1.100 -17.346 67 HG SER 9 HG SER 9 -21.835 2.455 -17.641 68 H HIS 10 H HIS 10 -18.424 -0.316 -15.858 69 HA HIS 10 HA HIS 10 -16.787 1.168 -13.972 70 HB2 HIS 10 2HB HIS 10 -16.107 -0.789 -12.669 71 HB3 HIS 10 3HB HIS 10 -17.847 -0.550 -12.534 72 HD1 HIS 10 HD1 HIS 10 -19.360 -2.240 -13.912 73 HD2 HIS 10 HD2 HIS 10 -15.332 -3.234 -13.699 74 HE1 HIS 10 HE1 HIS 10 -19.225 -4.648 -14.598 75 HE2 HIS 10 HE2 HIS 10 -16.768 -5.160 -14.654 76 H MET 11 H MET 11 -14.512 0.803 -14.280 77 HA MET 11 HA MET 11 -13.839 -0.726 -16.727 78 HB2 MET 11 2HB MET 11 -12.586 1.847 -15.737 79 HB3 MET 11 3HB MET 11 -12.062 0.942 -17.151 80 HG2 MET 11 2HG MET 11 -14.264 1.327 -18.186 81 HG3 MET 11 3HG MET 11 -14.737 2.279 -16.780 82 HE1 MET 11 3HE MET 11 -11.409 3.487 -19.744 83 HE2 MET 11 1HE MET 11 -12.416 2.052 -19.922 84 HE3 MET 11 2HE MET 11 -11.235 2.143 -18.617 85 H SER 12 H SER 12 -12.229 -2.188 -16.590 86 HA SER 12 HA SER 12 -11.045 -2.828 -14.069 87 HB2 SER 12 2HB SER 12 -10.364 -3.875 -16.836 88 HB3 SER 12 3HB SER 12 -9.853 -4.595 -15.309 89 HG SER 12 HG SER 12 -11.676 -5.620 -15.310 90 H THR 13 H THR 13 -9.311 -1.869 -13.175 91 HA THR 13 HA THR 13 -7.622 -0.111 -14.744 92 HB THR 13 HB THR 13 -6.491 0.361 -12.554 93 HG1 THR 13 HG1 THR 13 -6.878 -0.892 -10.900 94 HG21 THR 13 3HG2 THR 13 -8.394 1.722 -13.305 95 HG22 THR 13 1HG2 THR 13 -8.392 1.546 -11.550 96 HG23 THR 13 2HG2 THR 13 -9.508 0.598 -12.529 97 HA PRO 14 HA PRO 14 -4.566 -3.226 -15.628 98 HB2 PRO 14 2HB PRO 14 -2.574 -1.621 -16.537 99 HB3 PRO 14 3HB PRO 14 -4.054 -1.919 -17.459 100 HG2 PRO 14 2HG PRO 14 -3.364 0.415 -15.697 101 HG3 PRO 14 3HG PRO 14 -4.075 0.420 -17.323 102 HD2 PRO 14 2HD PRO 14 -5.578 0.722 -15.099 103 HD3 PRO 14 3HD PRO 14 -6.187 -0.123 -16.538 104 H LEU 15 H LEU 15 -2.578 -4.073 -14.906 105 HA LEU 15 HA LEU 15 -1.496 -2.846 -12.447 106 HB2 LEU 15 2HB LEU 15 -1.010 -5.236 -11.735 107 HB3 LEU 15 3HB LEU 15 -2.686 -4.731 -11.724 108 HG LEU 15 HG LEU 15 -2.957 -5.901 -13.959 109 HD11 LEU 15 1HD1 LEU 15 -0.639 -6.029 -14.654 110 HD12 LEU 15 2HD1 LEU 15 -1.311 -7.654 -14.511 111 HD13 LEU 15 3HD1 LEU 15 -0.245 -7.026 -13.252 112 HD21 LEU 15 3HD2 LEU 15 -3.759 -6.881 -11.874 113 HD22 LEU 15 1HD2 LEU 15 -2.170 -7.589 -11.580 114 HD23 LEU 15 2HD2 LEU 15 -3.135 -8.129 -12.953 115 H THR 16 H THR 16 0.705 -4.151 -11.889 116 HA THR 16 HA THR 16 2.339 -4.643 -14.241 117 HB THR 16 HB THR 16 2.502 -2.182 -13.976 118 HG1 THR 16 HG1 THR 16 4.321 -3.527 -14.698 119 HG21 THR 16 3HG2 THR 16 3.663 -1.229 -12.039 120 HG22 THR 16 1HG2 THR 16 3.745 -2.824 -11.291 121 HG23 THR 16 2HG2 THR 16 2.180 -2.046 -11.542 122 H GLY 17 H GLY 17 4.731 -5.071 -13.443 123 HA2 GLY 17 2HA GLY 17 4.598 -7.332 -11.766 124 HA3 GLY 17 3HA GLY 17 6.068 -6.574 -12.344 125 H LYS 18 H LYS 18 5.069 -7.728 -9.679 126 HA LYS 18 HA LYS 18 5.971 -5.478 -7.987 127 HB2 LYS 18 2HB LYS 18 3.856 -7.535 -7.284 128 HB3 LYS 18 3HB LYS 18 4.443 -6.269 -6.217 129 HG2 LYS 18 2HG LYS 18 3.261 -5.488 -8.847 130 HG3 LYS 18 3HG LYS 18 2.183 -6.020 -7.562 131 HD2 LYS 18 2HD LYS 18 2.357 -3.611 -7.513 132 HD3 LYS 18 3HD LYS 18 3.135 -4.277 -6.079 133 HE2 LYS 18 2HE LYS 18 5.330 -3.972 -7.135 134 HE3 LYS 18 3HE LYS 18 4.546 -3.323 -8.576 135 HZ1 LYS 18 3HZ LYS 18 3.809 -1.443 -7.378 136 HZ2 LYS 18 1HZ LYS 18 5.442 -1.637 -6.987 137 HZ3 LYS 18 2HZ LYS 18 4.240 -2.106 -5.888 138 HA PRO 19 HA PRO 19 8.992 -8.581 -6.759 139 HB2 PRO 19 2HB PRO 19 10.426 -7.068 -5.056 140 HB3 PRO 19 3HB PRO 19 10.469 -6.796 -6.803 141 HG2 PRO 19 2HG PRO 19 8.908 -5.331 -4.699 142 HG3 PRO 19 3HG PRO 19 9.843 -4.674 -6.057 143 HD2 PRO 19 2HD PRO 19 7.123 -4.983 -6.112 144 HD3 PRO 19 3HD PRO 19 8.140 -5.039 -7.567 145 H GLY 20 H GLY 20 10.044 -9.176 -4.461 146 HA2 GLY 20 2HA GLY 20 7.829 -9.976 -2.757 147 HA3 GLY 20 3HA GLY 20 9.508 -10.458 -2.587 148 H ALA 21 H ALA 21 9.689 -7.237 -2.867 149 HA ALA 21 HA ALA 21 9.213 -6.687 -0.002 150 HB1 ALA 21 3HB ALA 21 11.168 -5.222 -0.004 151 HB2 ALA 21 1HB ALA 21 11.464 -5.597 -1.704 152 HB3 ALA 21 2HB ALA 21 11.620 -6.859 -0.482 153 H LEU 22 H LEU 22 9.433 -4.071 0.220 154 HA LEU 22 HA LEU 22 7.524 -2.964 -1.742 155 HB2 LEU 22 2HB LEU 22 7.932 -2.262 1.165 156 HB3 LEU 22 3HB LEU 22 6.857 -1.400 0.080 157 HG LEU 22 HG LEU 22 6.579 -4.299 0.895 158 HD11 LEU 22 1HD1 LEU 22 4.598 -3.535 2.109 159 HD12 LEU 22 2HD1 LEU 22 4.977 -1.866 1.678 160 HD13 LEU 22 3HD1 LEU 22 6.071 -2.778 2.719 161 HD21 LEU 22 3HD2 LEU 22 5.756 -3.932 -1.371 162 HD22 LEU 22 1HD2 LEU 22 4.789 -2.564 -0.817 163 HD23 LEU 22 2HD2 LEU 22 4.413 -4.195 -0.263 164 HA PRO 23 HA PRO 23 10.746 -0.002 -2.706 165 HB2 PRO 23 2HB PRO 23 9.327 1.590 -4.366 166 HB3 PRO 23 3HB PRO 23 9.843 -0.032 -4.841 167 HG2 PRO 23 2HG PRO 23 7.167 0.884 -3.838 168 HG3 PRO 23 3HG PRO 23 7.539 -0.208 -5.184 169 HD2 PRO 23 2HD PRO 23 6.786 -1.087 -2.711 170 HD3 PRO 23 3HD PRO 23 7.838 -2.020 -3.796 171 H ALA 24 H ALA 24 11.429 1.816 -1.659 172 HA ALA 24 HA ALA 24 9.931 3.073 0.356 173 HB1 ALA 24 3HB ALA 24 12.369 4.115 -1.093 174 HB2 ALA 24 1HB ALA 24 12.373 3.070 0.326 175 HB3 ALA 24 2HB ALA 24 11.749 4.716 0.445 176 H ASN 25 H ASN 25 9.858 3.539 -3.016 177 HA ASN 25 HA ASN 25 9.098 6.279 -3.113 178 HB2 ASN 25 2HB ASN 25 8.744 4.056 -5.133 179 HB3 ASN 25 3HB ASN 25 8.446 5.762 -5.460 180 HD21 ASN 25 1HD2 ASN 25 10.644 6.745 -3.905 181 HD22 ASN 25 2HD2 ASN 25 12.085 6.343 -4.771 182 H LEU 26 H LEU 26 7.333 3.681 -1.913 183 HA LEU 26 HA LEU 26 4.728 4.145 -2.802 184 HB2 LEU 26 2HB LEU 26 5.681 3.404 -0.026 185 HB3 LEU 26 3HB LEU 26 4.004 3.350 -0.535 186 HG LEU 26 HG LEU 26 6.251 1.680 -1.678 187 HD11 LEU 26 1HD1 LEU 26 5.067 -0.202 -0.630 188 HD12 LEU 26 2HD1 LEU 26 3.940 0.934 0.114 189 HD13 LEU 26 3HD1 LEU 26 5.648 0.968 0.554 190 HD21 LEU 26 3HD2 LEU 26 3.298 1.676 -2.323 191 HD22 LEU 26 1HD2 LEU 26 4.476 0.497 -2.901 192 HD23 LEU 26 2HD2 LEU 26 4.605 2.183 -3.393 193 H ASP 27 H ASP 27 6.686 5.942 -0.514 194 HA ASP 27 HA ASP 27 4.775 7.781 0.404 195 HB2 ASP 27 2HB ASP 27 7.085 7.490 1.309 196 HB3 ASP 27 3HB ASP 27 7.717 8.282 -0.131 197 H ASP 28 H ASP 28 6.969 7.957 -2.393 198 HA ASP 28 HA ASP 28 6.103 10.478 -3.350 199 HB2 ASP 28 2HB ASP 28 7.396 8.217 -4.903 200 HB3 ASP 28 3HB ASP 28 7.331 9.908 -5.390 201 H MET 29 H MET 29 5.002 7.191 -3.967 202 HA MET 29 HA MET 29 3.469 7.668 -6.275 203 HB2 MET 29 2HB MET 29 3.155 5.560 -4.126 204 HB3 MET 29 3HB MET 29 2.283 5.552 -5.654 205 HG2 MET 29 2HG MET 29 4.353 5.345 -6.882 206 HG3 MET 29 3HG MET 29 5.281 5.471 -5.389 207 HE1 MET 29 3HE MET 29 2.467 1.923 -6.293 208 HE2 MET 29 1HE MET 29 2.678 3.283 -7.395 209 HE3 MET 29 2HE MET 29 1.895 3.526 -5.834 210 H LYS 30 H LYS 30 1.258 7.958 -6.590 211 HA LYS 30 HA LYS 30 0.064 9.815 -4.757 212 HB2 LYS 30 2HB LYS 30 -1.232 8.601 -7.205 213 HB3 LYS 30 3HB LYS 30 -1.610 10.134 -6.436 214 HG2 LYS 30 2HG LYS 30 0.488 11.079 -7.150 215 HG3 LYS 30 3HG LYS 30 1.019 9.521 -7.782 216 HD2 LYS 30 2HD LYS 30 0.257 10.982 -9.589 217 HD3 LYS 30 3HD LYS 30 -0.793 9.571 -9.439 218 HE2 LYS 30 2HE LYS 30 -2.099 11.602 -9.786 219 HE3 LYS 30 3HE LYS 30 -2.422 10.913 -8.198 220 HZ1 LYS 30 3HZ LYS 30 -0.873 12.534 -7.247 221 HZ2 LYS 30 1HZ LYS 30 -2.160 13.288 -8.047 222 HZ3 LYS 30 2HZ LYS 30 -0.640 13.215 -8.777 223 H VAL 31 H VAL 31 -2.371 9.596 -4.305 224 HA VAL 31 HA VAL 31 -2.718 7.510 -2.458 225 HB VAL 31 HB VAL 31 -4.874 9.246 -3.686 226 HG11 VAL 31 1HG1 VAL 31 -6.092 8.845 -1.593 227 HG12 VAL 31 2HG1 VAL 31 -4.808 7.759 -1.057 228 HG13 VAL 31 3HG1 VAL 31 -5.782 7.344 -2.467 229 HG21 VAL 31 3HG2 VAL 31 -4.508 10.752 -1.778 230 HG22 VAL 31 1HG2 VAL 31 -3.065 10.615 -2.780 231 HG23 VAL 31 2HG2 VAL 31 -3.157 9.750 -1.246 232 H ALA 32 H ALA 32 -4.132 7.951 -5.709 233 HA ALA 32 HA ALA 32 -5.744 5.630 -5.689 234 HB1 ALA 32 3HB ALA 32 -4.570 7.099 -8.056 235 HB2 ALA 32 1HB ALA 32 -6.101 7.464 -7.260 236 HB3 ALA 32 2HB ALA 32 -5.897 5.935 -8.115 237 H GLU 33 H GLU 33 -2.379 6.130 -6.650 238 HA GLU 33 HA GLU 33 -1.972 3.657 -7.949 239 HB2 GLU 33 2HB GLU 33 0.260 4.987 -6.440 240 HB3 GLU 33 3HB GLU 33 0.306 4.173 -7.995 241 HG2 GLU 33 2HG GLU 33 -0.683 6.929 -7.359 242 HG3 GLU 33 3HG GLU 33 0.636 6.463 -8.425 243 H LEU 34 H LEU 34 -1.382 4.657 -4.590 244 HA LEU 34 HA LEU 34 -0.382 2.233 -3.605 245 HB2 LEU 34 2HB LEU 34 -2.051 4.306 -2.168 246 HB3 LEU 34 3HB LEU 34 -1.093 3.058 -1.389 247 HG LEU 34 HG LEU 34 0.026 5.297 -3.094 248 HD11 LEU 34 1HD1 LEU 34 0.867 6.222 -1.002 249 HD12 LEU 34 2HD1 LEU 34 0.071 4.932 -0.099 250 HD13 LEU 34 3HD1 LEU 34 -0.894 6.117 -0.979 251 HD21 LEU 34 3HD2 LEU 34 1.391 3.282 -3.195 252 HD22 LEU 34 1HD2 LEU 34 1.412 3.191 -1.432 253 HD23 LEU 34 2HD2 LEU 34 2.202 4.537 -2.257 254 H LYS 35 H LYS 35 -3.738 3.417 -3.765 255 HA LYS 35 HA LYS 35 -5.016 1.193 -2.636 256 HB2 LYS 35 2HB LYS 35 -5.994 3.089 -4.783 257 HB3 LYS 35 3HB LYS 35 -7.019 1.934 -3.939 258 HG2 LYS 35 2HG LYS 35 -6.529 3.058 -1.814 259 HG3 LYS 35 3HG LYS 35 -5.512 4.221 -2.671 260 HD2 LYS 35 2HD LYS 35 -7.458 4.957 -3.973 261 HD3 LYS 35 3HD LYS 35 -8.473 3.795 -3.115 262 HE2 LYS 35 2HE LYS 35 -8.009 4.943 -1.007 263 HE3 LYS 35 3HE LYS 35 -6.972 6.090 -1.852 264 HZ1 LYS 35 3HZ LYS 35 -8.904 6.808 -3.133 265 HZ2 LYS 35 1HZ LYS 35 -9.150 7.023 -1.473 266 HZ3 LYS 35 2HZ LYS 35 -9.887 5.731 -2.275 267 H GLN 36 H GLN 36 -3.876 1.755 -5.928 268 HA GLN 36 HA GLN 36 -5.113 -0.416 -7.194 269 HB2 GLN 36 2HB GLN 36 -3.986 1.398 -8.416 270 HB3 GLN 36 3HB GLN 36 -2.428 0.842 -7.820 271 HG2 GLN 36 2HG GLN 36 -2.797 0.140 -10.124 272 HG3 GLN 36 3HG GLN 36 -2.686 -1.251 -9.050 273 HE21 GLN 36 1HE2 GLN 36 -3.792 -2.552 -10.535 274 HE22 GLN 36 2HE2 GLN 36 -5.489 -2.406 -10.798 275 H GLU 37 H GLU 37 -1.948 -0.253 -5.536 276 HA GLU 37 HA GLU 37 -1.320 -2.988 -5.968 277 HB2 GLU 37 2HB GLU 37 -0.322 -1.028 -3.890 278 HB3 GLU 37 3HB GLU 37 0.310 -2.661 -4.066 279 HG2 GLU 37 2HG GLU 37 0.796 -2.046 -6.488 280 HG3 GLU 37 3HG GLU 37 0.486 -0.378 -6.013 281 H LEU 38 H LEU 38 -2.898 -1.298 -3.255 282 HA LEU 38 HA LEU 38 -3.205 -3.396 -1.471 283 HB2 LEU 38 2HB LEU 38 -5.082 -1.127 -2.119 284 HB3 LEU 38 3HB LEU 38 -5.364 -2.239 -0.793 285 HG LEU 38 HG LEU 38 -2.971 -0.404 -1.058 286 HD11 LEU 38 1HD1 LEU 38 -5.037 0.814 -0.610 287 HD12 LEU 38 2HD1 LEU 38 -3.978 0.821 0.801 288 HD13 LEU 38 3HD1 LEU 38 -5.380 -0.250 0.756 289 HD21 LEU 38 3HD2 LEU 38 -2.405 -2.450 0.143 290 HD22 LEU 38 1HD2 LEU 38 -3.804 -2.244 1.199 291 HD23 LEU 38 2HD2 LEU 38 -2.475 -1.083 1.252 292 H LYS 39 H LYS 39 -5.617 -2.445 -3.950 293 HA LYS 39 HA LYS 39 -7.417 -4.527 -3.493 294 HB2 LYS 39 2HB LYS 39 -8.360 -4.012 -5.693 295 HB3 LYS 39 3HB LYS 39 -7.968 -2.538 -4.818 296 HG2 LYS 39 2HG LYS 39 -5.837 -2.424 -6.131 297 HG3 LYS 39 3HG LYS 39 -6.442 -3.765 -7.103 298 HD2 LYS 39 2HD LYS 39 -6.871 -1.629 -8.206 299 HD3 LYS 39 3HD LYS 39 -8.386 -2.414 -7.758 300 HE2 LYS 39 2HE LYS 39 -8.671 -0.948 -5.882 301 HE3 LYS 39 3HE LYS 39 -7.051 -0.281 -6.088 302 HZ1 LYS 39 3HZ LYS 39 -7.706 0.776 -8.089 303 HZ2 LYS 39 1HZ LYS 39 -8.879 1.146 -6.932 304 HZ3 LYS 39 2HZ LYS 39 -9.201 -0.018 -8.115 305 H LEU 40 H LEU 40 -4.546 -4.493 -5.577 306 HA LEU 40 HA LEU 40 -5.018 -7.013 -6.806 307 HB2 LEU 40 2HB LEU 40 -2.420 -5.540 -6.335 308 HB3 LEU 40 3HB LEU 40 -2.610 -6.926 -7.392 309 HG LEU 40 HG LEU 40 -3.975 -4.254 -7.783 310 HD11 LEU 40 1HD1 LEU 40 -1.610 -5.463 -9.221 311 HD12 LEU 40 2HD1 LEU 40 -1.576 -4.070 -8.137 312 HD13 LEU 40 3HD1 LEU 40 -2.440 -3.972 -9.671 313 HD21 LEU 40 3HD2 LEU 40 -3.857 -6.687 -9.569 314 HD22 LEU 40 1HD2 LEU 40 -4.590 -5.136 -9.979 315 HD23 LEU 40 2HD2 LEU 40 -5.273 -6.118 -8.684 316 H ARG 41 H ARG 41 -3.588 -6.057 -3.768 317 HA ARG 41 HA ARG 41 -2.629 -8.774 -3.220 318 HB2 ARG 41 2HB ARG 41 -2.377 -6.284 -1.513 319 HB3 ARG 41 3HB ARG 41 -1.531 -7.809 -1.278 320 HG2 ARG 41 2HG ARG 41 -0.343 -7.472 -3.400 321 HG3 ARG 41 3HG ARG 41 -1.186 -5.937 -3.623 322 HD2 ARG 41 2HD ARG 41 -0.204 -5.222 -1.404 323 HD3 ARG 41 3HD ARG 41 0.811 -6.661 -1.483 324 HE ARG 41 HE ARG 41 0.914 -4.390 -3.360 325 HH11 ARG 41 1HH1 ARG 41 2.328 -7.266 -2.109 326 HH12 ARG 41 2HH1 ARG 41 3.906 -6.868 -2.689 327 HH21 ARG 41 1HH2 ARG 41 2.955 -3.888 -4.095 328 HH22 ARG 41 2HH2 ARG 41 4.257 -4.992 -3.793 329 H SER 42 H SER 42 -5.555 -7.690 -3.218 330 HA SER 42 HA SER 42 -7.504 -8.247 -2.177 331 HB2 SER 42 2HB SER 42 -5.759 -10.106 -0.534 332 HB3 SER 42 3HB SER 42 -7.520 -10.156 -0.601 333 HG SER 42 HG SER 42 -5.634 -10.816 -2.593 334 H LEU 43 H LEU 43 -5.813 -6.067 -1.160 335 HA LEU 43 HA LEU 43 -6.577 -5.938 1.679 336 HB2 LEU 43 2HB LEU 43 -4.675 -4.282 0.018 337 HB3 LEU 43 3HB LEU 43 -5.055 -3.936 1.694 338 HG LEU 43 HG LEU 43 -3.880 -6.590 0.847 339 HD11 LEU 43 1HD1 LEU 43 -2.343 -4.826 0.113 340 HD12 LEU 43 2HD1 LEU 43 -1.680 -5.736 1.469 341 HD13 LEU 43 3HD1 LEU 43 -2.362 -4.129 1.734 342 HD21 LEU 43 3HD2 LEU 43 -4.935 -6.522 3.043 343 HD22 LEU 43 1HD2 LEU 43 -3.970 -5.110 3.480 344 HD23 LEU 43 2HD2 LEU 43 -3.186 -6.666 3.202 345 HA PRO 44 HA PRO 44 -9.869 -3.057 0.750 346 HB2 PRO 44 2HB PRO 44 -10.109 -1.805 3.152 347 HB3 PRO 44 3HB PRO 44 -10.661 -3.462 2.874 348 HG2 PRO 44 2HG PRO 44 -8.107 -2.501 4.125 349 HG3 PRO 44 3HG PRO 44 -9.197 -3.794 4.662 350 HD2 PRO 44 2HD PRO 44 -6.910 -4.307 3.309 351 HD3 PRO 44 3HD PRO 44 -8.363 -5.312 3.127 352 H VAL 45 H VAL 45 -9.766 -1.236 -0.400 353 HA VAL 45 HA VAL 45 -7.414 0.449 -0.270 354 HB VAL 45 HB VAL 45 -8.291 1.532 -2.275 355 HG11 VAL 45 1HG1 VAL 45 -8.577 -1.475 -2.401 356 HG12 VAL 45 2HG1 VAL 45 -7.065 -0.574 -2.519 357 HG13 VAL 45 3HG1 VAL 45 -8.294 -0.403 -3.772 358 HG21 VAL 45 3HG2 VAL 45 -10.671 1.551 -1.698 359 HG22 VAL 45 1HG2 VAL 45 -10.741 -0.200 -1.894 360 HG23 VAL 45 2HG2 VAL 45 -10.413 0.832 -3.287 361 H SER 46 H SER 46 -10.541 0.598 1.110 362 HA SER 46 HA SER 46 -10.917 3.426 1.054 363 HB2 SER 46 2HB SER 46 -12.141 1.342 2.883 364 HB3 SER 46 3HB SER 46 -12.670 3.021 2.767 365 HG SER 46 HG SER 46 -13.824 1.375 1.466 366 H GLY 47 H GLY 47 -8.768 4.113 1.742 367 HA2 GLY 47 2HA GLY 47 -8.798 4.737 4.583 368 HA3 GLY 47 3HA GLY 47 -7.432 3.763 4.059 369 H THR 48 H THR 48 -6.821 6.098 5.191 370 HA THR 48 HA THR 48 -6.504 8.237 3.276 371 HB THR 48 HB THR 48 -5.144 9.344 4.988 372 HG1 THR 48 HG1 THR 48 -5.135 7.960 7.098 373 HG21 THR 48 3HG2 THR 48 -6.795 9.459 6.803 374 HG22 THR 48 1HG2 THR 48 -7.573 8.000 6.189 375 HG23 THR 48 2HG2 THR 48 -7.582 9.478 5.225 376 H LYS 49 H LYS 49 -4.348 9.064 2.582 377 HA LYS 49 HA LYS 49 -2.910 7.207 1.147 378 HB2 LYS 49 2HB LYS 49 -2.819 9.695 0.838 379 HB3 LYS 49 3HB LYS 49 -1.729 9.782 2.217 380 HG2 LYS 49 2HG LYS 49 -0.123 8.345 1.020 381 HG3 LYS 49 3HG LYS 49 -1.213 8.305 -0.366 382 HD2 LYS 49 2HD LYS 49 -1.024 10.802 -0.489 383 HD3 LYS 49 3HD LYS 49 0.204 10.717 0.775 384 HE2 LYS 49 2HE LYS 49 0.354 9.430 -1.958 385 HE3 LYS 49 3HE LYS 49 1.237 10.858 -1.431 386 HZ1 LYS 49 3HZ LYS 49 2.650 8.932 -1.345 387 HZ2 LYS 49 1HZ LYS 49 1.554 8.112 -0.354 388 HZ3 LYS 49 2HZ LYS 49 2.360 9.476 0.231 389 H THR 50 H THR 50 -2.142 8.418 4.401 390 HA THR 50 HA THR 50 0.229 6.978 4.833 391 HB THR 50 HB THR 50 -1.890 7.729 6.872 392 HG1 THR 50 HG1 THR 50 0.442 9.199 6.735 393 HG21 THR 50 3HG2 THR 50 1.033 7.021 7.249 394 HG22 THR 50 1HG2 THR 50 -0.344 6.046 7.762 395 HG23 THR 50 2HG2 THR 50 -0.045 7.614 8.512 396 H GLU 51 H GLU 51 -3.117 6.117 5.750 397 HA GLU 51 HA GLU 51 -2.634 3.610 6.840 398 HB2 GLU 51 2HB GLU 51 -5.064 4.674 5.387 399 HB3 GLU 51 3HB GLU 51 -5.045 3.130 6.227 400 HG2 GLU 51 2HG GLU 51 -4.421 5.759 7.560 401 HG3 GLU 51 3HG GLU 51 -6.029 5.039 7.513 402 H LEU 52 H LEU 52 -3.042 4.517 3.457 403 HA LEU 52 HA LEU 52 -3.257 1.934 2.352 404 HB2 LEU 52 2HB LEU 52 -1.919 4.312 1.057 405 HB3 LEU 52 3HB LEU 52 -2.639 2.935 0.246 406 HG LEU 52 HG LEU 52 -4.119 5.071 1.787 407 HD11 LEU 52 1HD1 LEU 52 -4.057 4.472 -1.171 408 HD12 LEU 52 2HD1 LEU 52 -3.275 5.836 -0.370 409 HD13 LEU 52 3HD1 LEU 52 -5.034 5.710 -0.377 410 HD21 LEU 52 3HD2 LEU 52 -5.197 2.872 2.019 411 HD22 LEU 52 1HD2 LEU 52 -5.253 2.723 0.264 412 HD23 LEU 52 2HD2 LEU 52 -6.171 3.995 1.074 413 H ILE 53 H ILE 53 -0.387 4.005 2.823 414 HA ILE 53 HA ILE 53 1.548 2.184 1.894 415 HB ILE 53 HB ILE 53 1.877 4.318 4.022 416 HG12 ILE 53 2HG1 ILE 53 2.341 4.475 1.024 417 HG13 ILE 53 3HG1 ILE 53 0.981 5.197 1.877 418 HG21 ILE 53 1HG2 ILE 53 3.938 2.934 2.299 419 HG22 ILE 53 2HG2 ILE 53 3.725 2.732 4.039 420 HG23 ILE 53 3HG2 ILE 53 4.256 4.283 3.390 421 HD11 ILE 53 3HD1 ILE 53 2.510 6.655 3.089 422 HD12 ILE 53 1HD1 ILE 53 2.685 6.842 1.344 423 HD13 ILE 53 2HD1 ILE 53 3.879 5.921 2.256 424 H GLU 54 H GLU 54 0.477 2.866 5.232 425 HA GLU 54 HA GLU 54 2.011 0.978 6.586 426 HB2 GLU 54 2HB GLU 54 -0.827 1.784 7.282 427 HB3 GLU 54 3HB GLU 54 0.381 1.148 8.386 428 HG2 GLU 54 2HG GLU 54 0.568 3.791 6.949 429 HG3 GLU 54 3HG GLU 54 0.041 3.572 8.615 430 H ARG 55 H ARG 55 -1.121 0.600 4.986 431 HA ARG 55 HA ARG 55 -1.651 -2.037 5.879 432 HB2 ARG 55 2HB ARG 55 -3.309 -0.376 4.972 433 HB3 ARG 55 3HB ARG 55 -2.689 -0.720 3.364 434 HG2 ARG 55 2HG ARG 55 -3.605 -2.846 3.320 435 HG3 ARG 55 3HG ARG 55 -3.688 -2.958 5.082 436 HD2 ARG 55 2HD ARG 55 -5.400 -1.185 3.325 437 HD3 ARG 55 3HD ARG 55 -5.922 -2.666 4.135 438 HE ARG 55 HE ARG 55 -4.926 -1.035 6.122 439 HH11 ARG 55 1HH1 ARG 55 -7.443 -0.759 3.780 440 HH12 ARG 55 2HH1 ARG 55 -8.424 0.218 4.816 441 HH21 ARG 55 1HH2 ARG 55 -6.174 0.227 7.407 442 HH22 ARG 55 2HH2 ARG 55 -7.722 0.762 6.849 443 H LEU 56 H LEU 56 -0.114 -0.768 2.939 444 HA LEU 56 HA LEU 56 0.423 -3.221 1.675 445 HB2 LEU 56 2HB LEU 56 1.950 -0.612 1.667 446 HB3 LEU 56 3HB LEU 56 2.394 -1.976 0.659 447 HG LEU 56 HG LEU 56 -0.277 -0.558 0.530 448 HD11 LEU 56 1HD1 LEU 56 0.544 0.379 -1.591 449 HD12 LEU 56 2HD1 LEU 56 2.140 -0.297 -1.259 450 HD13 LEU 56 3HD1 LEU 56 1.471 0.945 -0.201 451 HD21 LEU 56 3HD2 LEU 56 0.968 -2.621 -1.294 452 HD22 LEU 56 1HD2 LEU 56 -0.575 -1.807 -1.549 453 HD23 LEU 56 2HD2 LEU 56 -0.373 -2.896 -0.179 454 H ARG 57 H ARG 57 2.228 -1.434 4.156 455 HA ARG 57 HA ARG 57 4.465 -3.130 4.310 456 HB2 ARG 57 2HB ARG 57 3.232 -1.602 6.614 457 HB3 ARG 57 3HB ARG 57 4.884 -2.194 6.512 458 HG2 ARG 57 2HG ARG 57 5.213 -0.659 4.552 459 HG3 ARG 57 3HG ARG 57 3.625 0.021 4.908 460 HD2 ARG 57 2HD ARG 57 6.110 0.084 6.605 461 HD3 ARG 57 3HD ARG 57 5.184 1.445 5.971 462 HE ARG 57 HE ARG 57 3.430 0.116 7.593 463 HH11 ARG 57 1HH1 ARG 57 6.507 1.583 8.015 464 HH12 ARG 57 2HH1 ARG 57 6.254 1.906 9.689 465 HH21 ARG 57 1HH2 ARG 57 3.110 0.517 9.736 466 HH22 ARG 57 2HH2 ARG 57 4.338 1.314 10.653 467 H ALA 58 H ALA 58 1.506 -3.125 6.314 468 HA ALA 58 HA ALA 58 2.045 -5.230 7.999 469 HB1 ALA 58 3HB ALA 58 -0.370 -5.481 8.256 470 HB2 ALA 58 1HB ALA 58 -0.631 -4.537 6.786 471 HB3 ALA 58 2HB ALA 58 0.092 -3.779 8.208 472 H TYR 59 H TYR 59 0.470 -5.464 4.804 473 HA TYR 59 HA TYR 59 0.099 -8.232 4.719 474 HB2 TYR 59 2HB TYR 59 -0.979 -6.854 3.092 475 HB3 TYR 59 3HB TYR 59 0.555 -6.201 2.528 476 HD1 TYR 59 HD2 TYR 59 -1.556 -9.263 2.560 477 HD2 TYR 59 HD1 TYR 59 1.795 -7.290 0.822 478 HE1 TYR 59 HE2 TYR 59 -1.472 -10.966 0.785 479 HE2 TYR 59 HE1 TYR 59 1.882 -8.986 -0.951 480 HH TYR 59 HH TYR 59 1.178 -11.246 -1.382 481 H GLN 60 H GLN 60 2.793 -6.359 3.310 482 HA GLN 60 HA GLN 60 4.255 -8.617 2.422 483 HB2 GLN 60 2HB GLN 60 4.385 -6.264 1.545 484 HB3 GLN 60 3HB GLN 60 5.286 -5.825 2.984 485 HG2 GLN 60 2HG GLN 60 6.248 -8.013 1.178 486 HG3 GLN 60 3HG GLN 60 6.551 -6.323 0.790 487 HE21 GLN 60 1HE2 GLN 60 8.452 -8.401 1.374 488 HE22 GLN 60 2HE2 GLN 60 9.352 -7.876 2.752 489 H ASP 61 H ASP 61 4.220 -6.853 5.422 490 HA ASP 61 HA ASP 61 6.697 -7.646 6.502 491 HB2 ASP 61 2HB ASP 61 5.426 -5.725 7.336 492 HB3 ASP 61 3HB ASP 61 4.144 -6.793 7.895 493 H GLN 62 H GLN 62 3.569 -9.238 6.427 494 HA GLN 62 HA GLN 62 3.894 -11.099 8.497 495 HB2 GLN 62 2HB GLN 62 2.431 -11.452 5.869 496 HB3 GLN 62 3HB GLN 62 2.240 -12.487 7.279 497 HG2 GLN 62 2HG GLN 62 1.369 -10.586 8.554 498 HG3 GLN 62 3HG GLN 62 1.568 -9.548 7.143 499 HE21 GLN 62 1HE2 GLN 62 0.221 -9.901 5.339 500 HE22 GLN 62 2HE2 GLN 62 -1.290 -10.723 5.488 501 H ILE 63 H ILE 63 5.005 -11.222 5.140 502 HA ILE 63 HA ILE 63 6.255 -13.842 5.632 503 HB ILE 63 HB ILE 63 6.564 -13.978 3.192 504 HG12 ILE 63 2HG1 ILE 63 5.063 -11.339 3.143 505 HG13 ILE 63 3HG1 ILE 63 6.753 -11.568 2.705 506 HG21 ILE 63 1HG2 ILE 63 3.729 -13.367 4.047 507 HG22 ILE 63 2HG2 ILE 63 4.553 -14.919 4.196 508 HG23 ILE 63 3HG2 ILE 63 4.194 -14.264 2.600 509 HD11 ILE 63 3HD1 ILE 63 6.064 -12.989 0.835 510 HD12 ILE 63 1HD1 ILE 63 5.370 -11.372 0.732 511 HD13 ILE 63 2HD1 ILE 63 4.373 -12.726 1.266 512 H SER 64 H SER 64 7.062 -10.528 5.360 513 HA SER 64 HA SER 64 9.695 -10.786 4.279 514 HB2 SER 64 2HB SER 64 8.423 -8.662 4.204 515 HB3 SER 64 3HB SER 64 8.550 -8.536 5.957 516 HG SER 64 HG SER 64 10.405 -7.623 5.636 517 HA PRO 65 HA PRO 65 12.039 -12.110 7.888 518 HB2 PRO 65 2HB PRO 65 14.131 -10.333 6.703 519 HB3 PRO 65 3HB PRO 65 14.244 -12.024 7.206 520 HG2 PRO 65 2HG PRO 65 14.123 -11.396 4.623 521 HG3 PRO 65 3HG PRO 65 13.255 -12.812 5.250 522 HD2 PRO 65 2HD PRO 65 12.190 -10.109 4.504 523 HD3 PRO 65 3HD PRO 65 11.474 -11.714 4.245 524 H VAL 66 H VAL 66 10.972 -11.018 9.552 525 HA VAL 66 HA VAL 66 11.303 -8.171 9.938 526 HB VAL 66 HB VAL 66 9.941 -8.498 11.982 527 HG11 VAL 66 1HG1 VAL 66 8.844 -8.110 9.837 528 HG12 VAL 66 2HG1 VAL 66 7.876 -9.184 10.846 529 HG13 VAL 66 3HG1 VAL 66 8.826 -9.846 9.515 530 HG21 VAL 66 3HG2 VAL 66 9.989 -11.424 11.207 531 HG22 VAL 66 1HG2 VAL 66 8.975 -10.714 12.464 532 HG23 VAL 66 2HG2 VAL 66 10.730 -10.713 12.641 533 HA PRO 67 HA PRO 67 14.888 -8.339 12.551 534 HB2 PRO 67 2HB PRO 67 14.633 -6.030 13.936 535 HB3 PRO 67 3HB PRO 67 14.993 -6.055 12.204 536 HG2 PRO 67 2HG PRO 67 12.359 -5.633 13.581 537 HG3 PRO 67 3HG PRO 67 13.066 -4.734 12.225 538 HD2 PRO 67 2HD PRO 67 11.191 -6.673 11.887 539 HD3 PRO 67 3HD PRO 67 12.449 -6.333 10.681 540 H GLY 68 H GLY 68 13.501 -10.242 13.624 541 HA2 GLY 68 2HA GLY 68 13.176 -11.366 15.618 542 HA3 GLY 68 3HA GLY 68 13.784 -9.953 16.465 543 H ALA 69 H ALA 69 10.922 -10.743 14.478 544 HA ALA 69 HA ALA 69 8.697 -10.411 14.744 545 HB1 ALA 69 3HB ALA 69 7.724 -10.354 16.974 546 HB2 ALA 69 1HB ALA 69 9.318 -10.068 17.676 547 HB3 ALA 69 2HB ALA 69 8.972 -11.595 16.867 548 HA PRO 70 HA PRO 70 8.269 -5.984 14.319 549 HB2 PRO 70 2HB PRO 70 5.524 -5.869 14.268 550 HB3 PRO 70 3HB PRO 70 6.520 -6.319 12.881 551 HG2 PRO 70 2HG PRO 70 5.067 -8.083 14.822 552 HG3 PRO 70 3HG PRO 70 5.190 -8.219 13.056 553 HD2 PRO 70 2HD PRO 70 6.692 -9.744 14.689 554 HD3 PRO 70 3HD PRO 70 7.325 -9.136 13.145 555 H LYS 71 H LYS 71 8.392 -4.447 15.847 556 HA LYS 71 HA LYS 71 7.866 -4.974 18.570 557 HB2 LYS 71 2HB LYS 71 9.592 -3.405 17.867 558 HB3 LYS 71 3HB LYS 71 8.381 -2.344 17.163 559 HG2 LYS 71 2HG LYS 71 9.145 -1.465 19.288 560 HG3 LYS 71 3HG LYS 71 7.447 -1.932 19.396 561 HD2 LYS 71 2HD LYS 71 8.130 -4.057 20.468 562 HD3 LYS 71 3HD LYS 71 9.812 -3.520 20.410 563 HE2 LYS 71 2HE LYS 71 9.250 -1.601 21.830 564 HE3 LYS 71 3HE LYS 71 7.565 -2.117 21.871 565 HZ1 LYS 71 3HZ LYS 71 9.883 -3.597 22.975 566 HZ2 LYS 71 1HZ LYS 71 8.294 -4.170 22.960 567 HZ3 LYS 71 2HZ LYS 71 8.695 -2.795 23.863 568 H ALA 72 H ALA 72 6.028 -3.122 16.161 569 HA ALA 72 HA ALA 72 4.014 -2.340 18.097 570 HB1 ALA 72 3HB ALA 72 4.628 -0.814 16.289 571 HB2 ALA 72 1HB ALA 72 2.918 -1.239 16.209 572 HB3 ALA 72 2HB ALA 72 4.067 -1.986 15.097 573 HA PRO 73 HA PRO 73 1.712 -6.173 17.526 574 HB2 PRO 73 2HB PRO 73 -0.480 -5.437 18.997 575 HB3 PRO 73 3HB PRO 73 1.028 -6.015 19.711 576 HG2 PRO 73 2HG PRO 73 0.059 -3.200 19.353 577 HG3 PRO 73 3HG PRO 73 0.851 -3.940 20.760 578 HD2 PRO 73 2HD PRO 73 2.206 -2.387 19.021 579 HD3 PRO 73 3HD PRO 73 2.963 -3.785 19.813 580 H ALA 74 H ALA 74 0.868 -6.486 15.556 581 HA ALA 74 HA ALA 74 -0.434 -4.613 13.958 582 HB1 ALA 74 3HB ALA 74 0.650 -6.649 13.105 583 HB2 ALA 74 1HB ALA 74 -0.994 -6.465 12.491 584 HB3 ALA 74 2HB ALA 74 -0.660 -7.618 13.783 585 H ALA 75 H ALA 75 -2.359 -3.691 14.186 586 HA ALA 75 HA ALA 75 -4.532 -5.115 15.572 587 HB1 ALA 75 3HB ALA 75 -5.562 -2.926 15.880 588 HB2 ALA 75 1HB ALA 75 -4.279 -2.172 14.932 589 HB3 ALA 75 2HB ALA 75 -3.905 -2.926 16.482 Start of MODEL 6 1 H1 MET 1 1H MET 1 -6.394 -61.406 -8.893 2 H2 MET 1 2H MET 1 -5.848 -62.913 -8.355 3 H3 MET 1 3H MET 1 -6.190 -62.673 -9.993 4 HA MET 1 HA MET 1 -4.019 -61.353 -8.458 5 HB2 MET 1 2HB MET 1 -3.912 -63.464 -10.631 6 HB3 MET 1 3HB MET 1 -2.511 -62.674 -9.919 7 HG2 MET 1 2HG MET 1 -3.029 -63.659 -7.760 8 HG3 MET 1 3HG MET 1 -4.477 -64.405 -8.434 9 HE1 MET 1 3HE MET 1 -2.933 -66.961 -10.991 10 HE2 MET 1 1HE MET 1 -3.408 -65.297 -11.333 11 HE3 MET 1 2HE MET 1 -4.420 -66.310 -10.305 12 H GLY 2 H GLY 2 -2.725 -59.877 -9.651 13 HA2 GLY 2 2HA GLY 2 -2.451 -59.256 -12.201 14 HA3 GLY 2 3HA GLY 2 -4.096 -58.693 -11.965 15 H HIS 3 H HIS 3 -1.925 -57.062 -12.774 16 HA HIS 3 HA HIS 3 -2.205 -54.947 -10.871 17 HB2 HIS 3 2HB HIS 3 0.144 -54.636 -10.295 18 HB3 HIS 3 3HB HIS 3 -0.395 -56.227 -9.776 19 HD1 HIS 3 HD1 HIS 3 0.393 -58.265 -11.388 20 HD2 HIS 3 HD2 HIS 3 2.366 -54.640 -11.862 21 HE1 HIS 3 HE1 HIS 3 2.487 -58.801 -12.654 22 HE2 HIS 3 HE2 HIS 3 3.543 -56.568 -13.116 23 H HIS 4 H HIS 4 -2.562 -53.247 -12.180 24 HA HIS 4 HA HIS 4 -1.706 -53.111 -14.876 25 HB2 HIS 4 2HB HIS 4 -2.616 -50.898 -14.934 26 HB3 HIS 4 3HB HIS 4 -3.660 -51.848 -13.883 27 HD1 HIS 4 HD1 HIS 4 -1.690 -48.785 -13.996 28 HD2 HIS 4 HD2 HIS 4 -3.218 -51.271 -11.039 29 HE1 HIS 4 HE1 HIS 4 -1.585 -47.451 -11.877 30 HE2 HIS 4 HE2 HIS 4 -2.595 -48.937 -10.120 31 H HIS 5 H HIS 5 0.171 -52.472 -15.764 32 HA HIS 5 HA HIS 5 2.476 -52.092 -14.198 33 HB2 HIS 5 2HB HIS 5 2.538 -53.023 -16.471 34 HB3 HIS 5 3HB HIS 5 2.038 -51.469 -17.131 35 HD1 HIS 5 HD1 HIS 5 3.937 -50.190 -18.064 36 HD2 HIS 5 HD2 HIS 5 5.132 -52.608 -14.904 37 HE1 HIS 5 HE1 HIS 5 6.408 -49.832 -17.837 38 HE2 HIS 5 HE2 HIS 5 7.129 -51.409 -16.023 39 H HIS 6 H HIS 6 2.923 -50.341 -12.978 40 HA HIS 6 HA HIS 6 2.193 -47.680 -14.025 41 HB2 HIS 6 2HB HIS 6 2.236 -46.858 -11.752 42 HB3 HIS 6 3HB HIS 6 1.212 -48.284 -11.830 43 HD1 HIS 6 HD1 HIS 6 1.670 -50.034 -10.115 44 HD2 HIS 6 HD2 HIS 6 4.886 -47.450 -10.600 45 HE1 HIS 6 HE1 HIS 6 3.318 -50.669 -8.335 46 HE2 HIS 6 HE2 HIS 6 5.159 -48.968 -8.530 47 H HIS 7 H HIS 7 3.725 -45.886 -13.114 48 HA HIS 7 HA HIS 7 6.539 -46.669 -13.113 49 HB2 HIS 7 2HB HIS 7 7.078 -45.137 -14.994 50 HB3 HIS 7 3HB HIS 7 6.065 -46.488 -15.495 51 HD1 HIS 7 HD1 HIS 7 3.702 -45.957 -16.318 52 HD2 HIS 7 HD2 HIS 7 5.803 -42.599 -15.062 53 HE1 HIS 7 HE1 HIS 7 2.346 -43.992 -17.078 54 HE2 HIS 7 HE2 HIS 7 3.581 -41.979 -16.225 55 H HIS 8 H HIS 8 7.947 -44.577 -13.031 56 HA HIS 8 HA HIS 8 6.775 -42.769 -11.043 57 HB2 HIS 8 2HB HIS 8 9.639 -43.075 -11.992 58 HB3 HIS 8 3HB HIS 8 9.110 -41.997 -10.704 59 HD1 HIS 8 HD1 HIS 8 9.923 -45.541 -11.433 60 HD2 HIS 8 HD2 HIS 8 8.374 -43.308 -8.288 61 HE1 HIS 8 HE1 HIS 8 10.031 -47.042 -9.429 62 HE2 HIS 8 HE2 HIS 8 9.321 -45.590 -7.507 63 H SER 9 H SER 9 6.261 -40.679 -11.465 64 HA SER 9 HA SER 9 6.854 -39.620 -14.156 65 HB2 SER 9 2HB SER 9 4.761 -38.769 -12.137 66 HB3 SER 9 3HB SER 9 5.021 -37.993 -13.699 67 HG SER 9 HG SER 9 4.318 -39.805 -14.728 68 H HIS 10 H HIS 10 7.964 -37.737 -14.452 69 HA HIS 10 HA HIS 10 9.265 -36.601 -12.060 70 HB2 HIS 10 2HB HIS 10 10.986 -35.759 -13.647 71 HB3 HIS 10 3HB HIS 10 10.823 -37.512 -13.688 72 HD1 HIS 10 HD1 HIS 10 9.820 -38.562 -15.847 73 HD2 HIS 10 HD2 HIS 10 10.321 -34.437 -16.026 74 HE1 HIS 10 HE1 HIS 10 9.529 -37.952 -18.261 75 HE2 HIS 10 HE2 HIS 10 10.011 -35.489 -18.369 76 H MET 11 H MET 11 8.964 -34.500 -11.483 77 HA MET 11 HA MET 11 7.579 -32.721 -13.394 78 HB2 MET 11 2HB MET 11 6.335 -31.736 -11.490 79 HB3 MET 11 3HB MET 11 5.948 -33.427 -11.758 80 HG2 MET 11 2HG MET 11 6.092 -33.112 -9.423 81 HG3 MET 11 3HG MET 11 7.540 -33.994 -9.906 82 HE1 MET 11 3HE MET 11 8.801 -31.791 -6.920 83 HE2 MET 11 1HE MET 11 8.729 -33.420 -7.589 84 HE3 MET 11 2HE MET 11 7.247 -32.606 -7.093 85 H SER 12 H SER 12 7.639 -30.339 -12.346 86 HA SER 12 HA SER 12 10.409 -29.796 -11.472 87 HB2 SER 12 2HB SER 12 10.460 -27.830 -13.013 88 HB3 SER 12 3HB SER 12 10.353 -29.368 -13.866 89 HG SER 12 HG SER 12 8.370 -28.906 -14.512 90 H THR 13 H THR 13 10.729 -27.866 -10.273 91 HA THR 13 HA THR 13 8.400 -27.086 -8.715 92 HB THR 13 HB THR 13 10.024 -25.849 -7.304 93 HG1 THR 13 HG1 THR 13 11.549 -25.385 -9.012 94 HG21 THR 13 3HG2 THR 13 10.861 -28.694 -7.906 95 HG22 THR 13 1HG2 THR 13 9.547 -28.216 -6.833 96 HG23 THR 13 2HG2 THR 13 11.210 -27.802 -6.428 97 HA PRO 14 HA PRO 14 7.663 -23.337 -11.099 98 HB2 PRO 14 2HB PRO 14 5.998 -22.140 -9.267 99 HB3 PRO 14 3HB PRO 14 5.480 -23.374 -10.420 100 HG2 PRO 14 2HG PRO 14 6.225 -23.672 -7.531 101 HG3 PRO 14 3HG PRO 14 4.880 -24.413 -8.420 102 HD2 PRO 14 2HD PRO 14 7.122 -25.787 -7.862 103 HD3 PRO 14 3HD PRO 14 6.245 -26.029 -9.387 104 H LEU 15 H LEU 15 9.517 -22.134 -11.144 105 HA LEU 15 HA LEU 15 10.643 -20.964 -8.759 106 HB2 LEU 15 2HB LEU 15 12.240 -19.884 -10.402 107 HB3 LEU 15 3HB LEU 15 12.237 -21.633 -10.337 108 HG LEU 15 HG LEU 15 10.721 -21.566 -12.398 109 HD11 LEU 15 1HD1 LEU 15 10.035 -19.236 -12.304 110 HD12 LEU 15 2HD1 LEU 15 10.897 -19.563 -13.809 111 HD13 LEU 15 3HD1 LEU 15 11.710 -18.715 -12.493 112 HD21 LEU 15 3HD2 LEU 15 12.624 -21.301 -13.917 113 HD22 LEU 15 1HD2 LEU 15 13.056 -22.239 -12.487 114 HD23 LEU 15 2HD2 LEU 15 13.557 -20.551 -12.620 115 H THR 16 H THR 16 11.035 -18.660 -8.445 116 HA THR 16 HA THR 16 8.644 -17.109 -9.163 117 HB THR 16 HB THR 16 9.316 -15.546 -7.393 118 HG1 THR 16 HG1 THR 16 11.215 -15.713 -6.357 119 HG21 THR 16 3HG2 THR 16 9.075 -17.049 -5.460 120 HG22 THR 16 1HG2 THR 16 9.414 -18.434 -6.499 121 HG23 THR 16 2HG2 THR 16 7.956 -17.474 -6.755 122 H GLY 17 H GLY 17 12.185 -16.688 -9.138 123 HA2 GLY 17 2HA GLY 17 13.473 -15.636 -10.794 124 HA3 GLY 17 3HA GLY 17 12.007 -14.997 -11.511 125 H LYS 18 H LYS 18 10.833 -13.463 -9.730 126 HA LYS 18 HA LYS 18 12.904 -11.532 -8.880 127 HB2 LYS 18 2HB LYS 18 11.175 -9.765 -9.242 128 HB3 LYS 18 3HB LYS 18 11.654 -10.611 -10.706 129 HG2 LYS 18 2HG LYS 18 9.618 -11.977 -10.577 130 HG3 LYS 18 3HG LYS 18 9.135 -11.105 -9.124 131 HD2 LYS 18 2HD LYS 18 7.932 -10.146 -10.942 132 HD3 LYS 18 3HD LYS 18 9.182 -8.989 -10.490 133 HE2 LYS 18 2HE LYS 18 9.450 -10.960 -12.765 134 HE3 LYS 18 3HE LYS 18 8.875 -9.307 -12.959 135 HZ1 LYS 18 3HZ LYS 18 11.006 -8.531 -12.076 136 HZ2 LYS 18 1HZ LYS 18 11.201 -9.443 -13.485 137 HZ3 LYS 18 2HZ LYS 18 11.556 -10.126 -11.986 138 HA PRO 19 HA PRO 19 11.554 -12.074 -4.683 139 HB2 PRO 19 2HB PRO 19 12.446 -9.267 -4.300 140 HB3 PRO 19 3HB PRO 19 12.993 -10.740 -3.493 141 HG2 PRO 19 2HG PRO 19 14.536 -9.523 -5.297 142 HG3 PRO 19 3HG PRO 19 14.456 -11.294 -5.215 143 HD2 PRO 19 2HD PRO 19 13.100 -9.425 -7.135 144 HD3 PRO 19 3HD PRO 19 13.914 -10.973 -7.455 145 H GLY 20 H GLY 20 9.641 -11.818 -3.671 146 HA2 GLY 20 2HA GLY 20 7.711 -9.874 -4.640 147 HA3 GLY 20 3HA GLY 20 7.422 -11.141 -3.463 148 H ALA 21 H ALA 21 8.571 -7.868 -3.926 149 HA ALA 21 HA ALA 21 8.284 -7.372 -1.021 150 HB1 ALA 21 3HB ALA 21 10.316 -6.123 -2.879 151 HB2 ALA 21 1HB ALA 21 10.648 -7.352 -1.660 152 HB3 ALA 21 2HB ALA 21 10.111 -5.744 -1.168 153 H LEU 22 H LEU 22 8.455 -4.690 -0.895 154 HA LEU 22 HA LEU 22 6.216 -3.704 -2.542 155 HB2 LEU 22 2HB LEU 22 7.354 -2.699 0.074 156 HB3 LEU 22 3HB LEU 22 6.065 -1.904 -0.807 157 HG LEU 22 HG LEU 22 5.901 -4.687 0.367 158 HD11 LEU 22 1HD1 LEU 22 6.006 -2.989 2.107 159 HD12 LEU 22 2HD1 LEU 22 4.385 -3.676 2.009 160 HD13 LEU 22 3HD1 LEU 22 4.710 -2.082 1.327 161 HD21 LEU 22 3HD2 LEU 22 4.496 -4.405 -1.618 162 HD22 LEU 22 1HD2 LEU 22 3.775 -2.956 -0.910 163 HD23 LEU 22 2HD2 LEU 22 3.518 -4.534 -0.156 164 HA PRO 23 HA PRO 23 8.822 -0.616 -4.573 165 HB2 PRO 23 2HB PRO 23 6.616 1.318 -4.091 166 HB3 PRO 23 3HB PRO 23 7.374 0.833 -5.612 167 HG2 PRO 23 2HG PRO 23 4.914 -0.006 -4.979 168 HG3 PRO 23 3HG PRO 23 6.060 -1.078 -5.809 169 HD2 PRO 23 2HD PRO 23 5.282 -1.020 -2.908 170 HD3 PRO 23 3HD PRO 23 5.539 -2.418 -3.975 171 H ALA 24 H ALA 24 10.319 0.875 -3.873 172 HA ALA 24 HA ALA 24 10.671 1.357 -1.135 173 HB1 ALA 24 3HB ALA 24 12.500 2.835 -1.792 174 HB2 ALA 24 1HB ALA 24 11.905 2.848 -3.454 175 HB3 ALA 24 2HB ALA 24 12.511 1.349 -2.744 176 H ASN 25 H ASN 25 9.705 3.696 -3.669 177 HA ASN 25 HA ASN 25 9.054 5.671 -1.614 178 HB2 ASN 25 2HB ASN 25 8.977 5.907 -4.629 179 HB3 ASN 25 3HB ASN 25 8.809 7.231 -3.482 180 HD21 ASN 25 1HD2 ASN 25 10.769 6.835 -5.597 181 HD22 ASN 25 2HD2 ASN 25 12.310 6.885 -4.820 182 H LEU 26 H LEU 26 7.176 4.591 -0.746 183 HA LEU 26 HA LEU 26 4.832 4.312 -2.430 184 HB2 LEU 26 2HB LEU 26 5.176 4.044 0.562 185 HB3 LEU 26 3HB LEU 26 3.692 3.692 -0.303 186 HG LEU 26 HG LEU 26 6.316 2.227 -0.670 187 HD11 LEU 26 1HD1 LEU 26 5.304 1.734 1.490 188 HD12 LEU 26 2HD1 LEU 26 5.195 0.345 0.412 189 HD13 LEU 26 3HD1 LEU 26 3.773 1.347 0.705 190 HD21 LEU 26 3HD2 LEU 26 5.028 0.670 -2.038 191 HD22 LEU 26 1HD2 LEU 26 4.982 2.295 -2.722 192 HD23 LEU 26 2HD2 LEU 26 3.586 1.670 -1.842 193 H ASP 27 H ASP 27 6.107 6.617 -0.110 194 HA ASP 27 HA ASP 27 3.760 8.146 0.295 195 HB2 ASP 27 2HB ASP 27 6.619 9.138 0.434 196 HB3 ASP 27 3HB ASP 27 5.217 9.807 1.265 197 H ASP 28 H ASP 28 6.412 8.436 -2.039 198 HA ASP 28 HA ASP 28 5.702 10.864 -3.223 199 HB2 ASP 28 2HB ASP 28 7.061 8.464 -4.466 200 HB3 ASP 28 3HB ASP 28 7.054 10.092 -5.144 201 H MET 29 H MET 29 4.699 7.558 -4.090 202 HA MET 29 HA MET 29 3.199 8.310 -6.377 203 HB2 MET 29 2HB MET 29 2.930 5.849 -4.634 204 HB3 MET 29 3HB MET 29 2.201 6.055 -6.222 205 HG2 MET 29 2HG MET 29 4.482 6.313 -7.172 206 HG3 MET 29 3HG MET 29 5.143 5.938 -5.583 207 HE1 MET 29 3HE MET 29 2.895 3.720 -4.656 208 HE2 MET 29 1HE MET 29 4.622 3.590 -4.319 209 HE3 MET 29 2HE MET 29 3.770 2.250 -5.085 210 H LYS 30 H LYS 30 0.829 8.140 -6.604 211 HA LYS 30 HA LYS 30 -0.413 9.843 -4.638 212 HB2 LYS 30 2HB LYS 30 -1.590 8.616 -7.144 213 HB3 LYS 30 3HB LYS 30 -2.273 9.950 -6.221 214 HG2 LYS 30 2HG LYS 30 -0.365 11.352 -6.795 215 HG3 LYS 30 3HG LYS 30 0.374 10.010 -7.669 216 HD2 LYS 30 2HD LYS 30 -2.253 11.339 -8.358 217 HD3 LYS 30 3HD LYS 30 -0.718 11.585 -9.197 218 HE2 LYS 30 2HE LYS 30 -0.693 9.203 -9.817 219 HE3 LYS 30 3HE LYS 30 -2.240 8.979 -8.997 220 HZ1 LYS 30 3HZ LYS 30 -1.725 10.685 -11.369 221 HZ2 LYS 30 1HZ LYS 30 -3.197 10.621 -10.538 222 HZ3 LYS 30 2HZ LYS 30 -2.610 9.246 -11.328 223 H VAL 31 H VAL 31 -2.564 9.427 -3.727 224 HA VAL 31 HA VAL 31 -2.816 7.051 -2.298 225 HB VAL 31 HB VAL 31 -5.083 8.893 -3.120 226 HG11 VAL 31 1HG1 VAL 31 -6.169 8.112 -1.054 227 HG12 VAL 31 2HG1 VAL 31 -4.842 6.980 -0.791 228 HG13 VAL 31 3HG1 VAL 31 -5.896 6.794 -2.194 229 HG21 VAL 31 3HG2 VAL 31 -3.277 9.033 -0.699 230 HG22 VAL 31 1HG2 VAL 31 -4.674 10.064 -1.007 231 HG23 VAL 31 2HG2 VAL 31 -3.268 10.147 -2.065 232 H ALA 32 H ALA 32 -4.267 7.978 -5.396 233 HA ALA 32 HA ALA 32 -5.869 5.726 -5.847 234 HB1 ALA 32 3HB ALA 32 -5.949 7.793 -7.190 235 HB2 ALA 32 1HB ALA 32 -5.808 6.351 -8.194 236 HB3 ALA 32 2HB ALA 32 -4.396 7.367 -7.908 237 H GLU 33 H GLU 33 -2.432 6.257 -6.521 238 HA GLU 33 HA GLU 33 -1.927 3.855 -7.926 239 HB2 GLU 33 2HB GLU 33 0.031 5.365 -6.174 240 HB3 GLU 33 3HB GLU 33 0.418 4.290 -7.511 241 HG2 GLU 33 2HG GLU 33 -0.969 6.960 -7.724 242 HG3 GLU 33 3HG GLU 33 0.715 6.630 -8.122 243 H LEU 34 H LEU 34 -1.615 4.706 -4.485 244 HA LEU 34 HA LEU 34 -0.652 2.246 -3.541 245 HB2 LEU 34 2HB LEU 34 -2.422 4.249 -2.126 246 HB3 LEU 34 3HB LEU 34 -1.538 2.951 -1.341 247 HG LEU 34 HG LEU 34 -0.289 5.269 -2.826 248 HD11 LEU 34 1HD1 LEU 34 -1.331 5.961 -0.735 249 HD12 LEU 34 2HD1 LEU 34 0.426 6.031 -0.621 250 HD13 LEU 34 3HD1 LEU 34 -0.453 4.701 0.134 251 HD21 LEU 34 3HD2 LEU 34 1.834 4.450 -1.945 252 HD22 LEU 34 1HD2 LEU 34 1.071 3.231 -2.964 253 HD23 LEU 34 2HD2 LEU 34 1.017 3.073 -1.209 254 H LYS 35 H LYS 35 -4.004 3.357 -4.002 255 HA LYS 35 HA LYS 35 -5.286 1.093 -2.931 256 HB2 LYS 35 2HB LYS 35 -6.187 3.009 -5.090 257 HB3 LYS 35 3HB LYS 35 -7.230 1.792 -4.365 258 HG2 LYS 35 2HG LYS 35 -6.893 2.842 -2.164 259 HG3 LYS 35 3HG LYS 35 -5.895 4.082 -2.924 260 HD2 LYS 35 2HD LYS 35 -7.795 4.814 -4.268 261 HD3 LYS 35 3HD LYS 35 -8.798 3.536 -3.578 262 HE2 LYS 35 2HE LYS 35 -8.531 4.539 -1.352 263 HE3 LYS 35 3HE LYS 35 -7.534 5.815 -2.049 264 HZ1 LYS 35 3HZ LYS 35 -9.426 6.512 -3.383 265 HZ2 LYS 35 1HZ LYS 35 -9.805 6.546 -1.735 266 HZ3 LYS 35 2HZ LYS 35 -10.378 5.289 -2.709 267 H GLN 36 H GLN 36 -4.039 1.728 -6.182 268 HA GLN 36 HA GLN 36 -4.938 -0.659 -7.393 269 HB2 GLN 36 2HB GLN 36 -4.194 1.044 -8.846 270 HB3 GLN 36 3HB GLN 36 -2.681 1.256 -7.981 271 HG2 GLN 36 2HG GLN 36 -3.223 -1.353 -9.338 272 HG3 GLN 36 3HG GLN 36 -2.752 0.045 -10.305 273 HE21 GLN 36 1HE2 GLN 36 -1.357 -2.512 -9.624 274 HE22 GLN 36 2HE2 GLN 36 0.171 -2.028 -8.958 275 H GLU 37 H GLU 37 -1.933 0.107 -5.656 276 HA GLU 37 HA GLU 37 -0.774 -2.457 -5.860 277 HB2 GLU 37 2HB GLU 37 -0.399 -0.204 -3.885 278 HB3 GLU 37 3HB GLU 37 0.516 -1.703 -3.778 279 HG2 GLU 37 2HG GLU 37 0.490 0.084 -6.209 280 HG3 GLU 37 3HG GLU 37 1.705 0.156 -4.933 281 H LEU 38 H LEU 38 -2.966 -1.077 -3.438 282 HA LEU 38 HA LEU 38 -2.910 -3.115 -1.540 283 HB2 LEU 38 2HB LEU 38 -5.127 -1.250 -2.368 284 HB3 LEU 38 3HB LEU 38 -5.278 -2.356 -1.014 285 HG LEU 38 HG LEU 38 -3.175 -0.191 -1.219 286 HD11 LEU 38 1HD1 LEU 38 -5.403 0.780 -1.057 287 HD12 LEU 38 2HD1 LEU 38 -4.498 1.012 0.437 288 HD13 LEU 38 3HD1 LEU 38 -5.751 -0.225 0.348 289 HD21 LEU 38 3HD2 LEU 38 -3.988 -1.977 1.089 290 HD22 LEU 38 1HD2 LEU 38 -2.814 -0.659 1.163 291 HD23 LEU 38 2HD2 LEU 38 -2.485 -2.076 0.170 292 H LYS 39 H LYS 39 -5.190 -2.768 -4.288 293 HA LYS 39 HA LYS 39 -6.660 -5.092 -3.764 294 HB2 LYS 39 2HB LYS 39 -7.453 -4.946 -6.083 295 HB3 LYS 39 3HB LYS 39 -7.458 -3.374 -5.295 296 HG2 LYS 39 2HG LYS 39 -5.339 -2.828 -6.433 297 HG3 LYS 39 3HG LYS 39 -5.417 -4.376 -7.274 298 HD2 LYS 39 2HD LYS 39 -6.251 -2.565 -8.691 299 HD3 LYS 39 3HD LYS 39 -7.534 -3.715 -8.312 300 HE2 LYS 39 2HE LYS 39 -8.366 -2.200 -6.564 301 HE3 LYS 39 3HE LYS 39 -7.088 -1.048 -6.956 302 HZ1 LYS 39 3HZ LYS 39 -9.191 -1.952 -8.848 303 HZ2 LYS 39 1HZ LYS 39 -8.017 -0.772 -9.141 304 HZ3 LYS 39 2HZ LYS 39 -9.225 -0.493 -7.991 305 H LEU 40 H LEU 40 -3.630 -4.704 -5.552 306 HA LEU 40 HA LEU 40 -3.503 -7.372 -6.541 307 HB2 LEU 40 2HB LEU 40 -1.245 -5.462 -5.922 308 HB3 LEU 40 3HB LEU 40 -1.101 -6.935 -6.864 309 HG LEU 40 HG LEU 40 -2.628 -4.441 -7.622 310 HD11 LEU 40 1HD1 LEU 40 -0.205 -5.777 -8.824 311 HD12 LEU 40 2HD1 LEU 40 -0.225 -4.265 -7.917 312 HD13 LEU 40 3HD1 LEU 40 -1.031 -4.363 -9.481 313 HD21 LEU 40 3HD2 LEU 40 -3.878 -6.415 -8.341 314 HD22 LEU 40 1HD2 LEU 40 -2.427 -7.060 -9.113 315 HD23 LEU 40 2HD2 LEU 40 -3.165 -5.577 -9.719 316 H ARG 41 H ARG 41 -2.900 -5.983 -3.452 317 HA ARG 41 HA ARG 41 -1.568 -8.409 -2.457 318 HB2 ARG 41 2HB ARG 41 -1.549 -5.558 -1.705 319 HB3 ARG 41 3HB ARG 41 -1.647 -6.652 -0.336 320 HG2 ARG 41 2HG ARG 41 0.665 -5.955 -0.959 321 HG3 ARG 41 3HG ARG 41 0.407 -7.695 -0.900 322 HD2 ARG 41 2HD ARG 41 1.769 -7.044 -2.821 323 HD3 ARG 41 3HD ARG 41 0.252 -7.779 -3.320 324 HE ARG 41 HE ARG 41 -0.512 -5.394 -3.667 325 HH11 ARG 41 1HH1 ARG 41 2.821 -6.243 -3.877 326 HH12 ARG 41 2HH1 ARG 41 3.150 -5.078 -5.113 327 HH21 ARG 41 1HH2 ARG 41 -0.086 -3.955 -5.285 328 HH22 ARG 41 2HH2 ARG 41 1.521 -3.781 -5.896 329 H SER 42 H SER 42 -4.577 -7.808 -3.042 330 HA SER 42 HA SER 42 -6.604 -8.450 -2.232 331 HB2 SER 42 2HB SER 42 -4.948 -10.005 -0.219 332 HB3 SER 42 3HB SER 42 -6.683 -10.207 -0.470 333 HG SER 42 HG SER 42 -6.092 -10.689 -2.729 334 H LEU 43 H LEU 43 -5.080 -6.112 -1.023 335 HA LEU 43 HA LEU 43 -6.296 -5.871 1.621 336 HB2 LEU 43 2HB LEU 43 -4.330 -4.182 0.078 337 HB3 LEU 43 3HB LEU 43 -4.992 -3.688 1.626 338 HG LEU 43 HG LEU 43 -3.452 -6.267 1.252 339 HD11 LEU 43 1HD1 LEU 43 -2.420 -3.584 2.185 340 HD12 LEU 43 2HD1 LEU 43 -1.990 -4.392 0.676 341 HD13 LEU 43 3HD1 LEU 43 -1.526 -5.106 2.222 342 HD21 LEU 43 3HD2 LEU 43 -3.211 -6.100 3.701 343 HD22 LEU 43 1HD2 LEU 43 -4.902 -6.207 3.203 344 HD23 LEU 43 2HD2 LEU 43 -4.218 -4.651 3.683 345 HA PRO 44 HA PRO 44 -9.670 -3.338 0.146 346 HB2 PRO 44 2HB PRO 44 -10.353 -2.059 2.427 347 HB3 PRO 44 3HB PRO 44 -10.649 -3.787 2.193 348 HG2 PRO 44 2HG PRO 44 -8.399 -2.435 3.652 349 HG3 PRO 44 3HG PRO 44 -9.390 -3.818 4.161 350 HD2 PRO 44 2HD PRO 44 -6.911 -4.118 3.091 351 HD3 PRO 44 3HD PRO 44 -8.203 -5.314 2.849 352 H VAL 45 H VAL 45 -10.074 -1.271 -0.598 353 HA VAL 45 HA VAL 45 -7.765 0.510 -0.641 354 HB VAL 45 HB VAL 45 -8.941 1.672 -2.462 355 HG11 VAL 45 1HG1 VAL 45 -8.907 -0.147 -4.101 356 HG12 VAL 45 2HG1 VAL 45 -8.938 -1.334 -2.799 357 HG13 VAL 45 3HG1 VAL 45 -7.544 -0.271 -2.988 358 HG21 VAL 45 3HG2 VAL 45 -11.244 1.402 -1.659 359 HG22 VAL 45 1HG2 VAL 45 -11.163 -0.330 -1.982 360 HG23 VAL 45 2HG2 VAL 45 -11.084 0.823 -3.317 361 H SER 46 H SER 46 -9.742 0.334 1.717 362 HA SER 46 HA SER 46 -10.771 3.094 1.732 363 HB2 SER 46 2HB SER 46 -12.409 1.352 2.282 364 HB3 SER 46 3HB SER 46 -11.383 0.786 3.599 365 HG SER 46 HG SER 46 -13.031 2.168 4.362 366 H GLY 47 H GLY 47 -9.195 4.470 2.401 367 HA2 GLY 47 2HA GLY 47 -8.515 4.729 5.082 368 HA3 GLY 47 3HA GLY 47 -7.209 3.815 4.344 369 H THR 48 H THR 48 -6.173 5.892 5.284 370 HA THR 48 HA THR 48 -6.349 8.169 3.431 371 HB THR 48 HB THR 48 -5.050 9.430 5.040 372 HG1 THR 48 HG1 THR 48 -4.508 8.284 7.087 373 HG21 THR 48 3HG2 THR 48 -7.446 9.289 5.480 374 HG22 THR 48 1HG2 THR 48 -6.552 9.344 7.000 375 HG23 THR 48 2HG2 THR 48 -7.206 7.813 6.416 376 H LYS 49 H LYS 49 -4.189 9.263 2.925 377 HA LYS 49 HA LYS 49 -2.634 7.697 1.281 378 HB2 LYS 49 2HB LYS 49 -2.639 10.128 1.147 379 HB3 LYS 49 3HB LYS 49 -1.842 10.247 2.709 380 HG2 LYS 49 2HG LYS 49 -0.311 10.638 0.814 381 HG3 LYS 49 3HG LYS 49 0.177 9.267 1.810 382 HD2 LYS 49 2HD LYS 49 -0.828 7.734 0.180 383 HD3 LYS 49 3HD LYS 49 -1.314 9.108 -0.812 384 HE2 LYS 49 2HE LYS 49 1.548 8.489 -0.084 385 HE3 LYS 49 3HE LYS 49 0.772 7.939 -1.568 386 HZ1 LYS 49 3HZ LYS 49 0.353 10.276 -2.131 387 HZ2 LYS 49 1HZ LYS 49 2.001 9.936 -1.987 388 HZ3 LYS 49 2HZ LYS 49 1.200 10.762 -0.752 389 H THR 50 H THR 50 -1.651 8.805 4.550 390 HA THR 50 HA THR 50 0.703 7.243 4.681 391 HB THR 50 HB THR 50 -0.996 8.250 6.986 392 HG1 THR 50 HG1 THR 50 1.398 9.504 6.239 393 HG21 THR 50 3HG2 THR 50 0.596 6.495 7.675 394 HG22 THR 50 1HG2 THR 50 1.045 8.072 8.327 395 HG23 THR 50 2HG2 THR 50 1.913 7.410 6.943 396 H GLU 51 H GLU 51 -2.610 6.581 5.791 397 HA GLU 51 HA GLU 51 -2.198 4.260 7.245 398 HB2 GLU 51 2HB GLU 51 -4.326 5.751 6.763 399 HB3 GLU 51 3HB GLU 51 -4.637 4.551 5.523 400 HG2 GLU 51 2HG GLU 51 -4.303 3.994 8.458 401 HG3 GLU 51 3HG GLU 51 -5.837 4.101 7.603 402 H LEU 52 H LEU 52 -3.115 4.493 3.790 403 HA LEU 52 HA LEU 52 -3.233 1.769 3.249 404 HB2 LEU 52 2HB LEU 52 -2.339 3.900 1.302 405 HB3 LEU 52 3HB LEU 52 -3.033 2.337 0.904 406 HG LEU 52 HG LEU 52 -4.433 4.670 2.214 407 HD11 LEU 52 1HD1 LEU 52 -5.852 4.620 0.229 408 HD12 LEU 52 2HD1 LEU 52 -4.879 3.307 -0.439 409 HD13 LEU 52 3HD1 LEU 52 -4.161 4.900 -0.184 410 HD21 LEU 52 3HD2 LEU 52 -5.224 2.617 3.252 411 HD22 LEU 52 1HD2 LEU 52 -5.525 1.907 1.666 412 HD23 LEU 52 2HD2 LEU 52 -6.463 3.300 2.202 413 H ILE 53 H ILE 53 -0.426 3.925 3.107 414 HA ILE 53 HA ILE 53 1.470 2.091 2.120 415 HB ILE 53 HB ILE 53 1.887 4.373 4.068 416 HG12 ILE 53 2HG1 ILE 53 2.193 4.326 1.050 417 HG13 ILE 53 3HG1 ILE 53 0.826 5.027 1.910 418 HG21 ILE 53 1HG2 ILE 53 4.224 4.358 3.302 419 HG22 ILE 53 2HG2 ILE 53 3.889 2.924 2.333 420 HG23 ILE 53 3HG2 ILE 53 3.781 2.844 4.090 421 HD11 ILE 53 3HD1 ILE 53 2.300 6.658 2.949 422 HD12 ILE 53 1HD1 ILE 53 2.411 6.726 1.190 423 HD13 ILE 53 2HD1 ILE 53 3.686 5.947 2.124 424 H GLU 54 H GLU 54 0.467 2.863 5.436 425 HA GLU 54 HA GLU 54 2.238 1.104 6.772 426 HB2 GLU 54 2HB GLU 54 -0.466 2.154 7.659 427 HB3 GLU 54 3HB GLU 54 0.734 1.416 8.711 428 HG2 GLU 54 2HG GLU 54 1.109 3.975 7.156 429 HG3 GLU 54 3HG GLU 54 0.726 3.863 8.873 430 H ARG 55 H ARG 55 -0.993 0.673 5.438 431 HA ARG 55 HA ARG 55 -1.466 -1.914 6.514 432 HB2 ARG 55 2HB ARG 55 -3.196 -0.318 5.563 433 HB3 ARG 55 3HB ARG 55 -2.643 -0.783 3.961 434 HG2 ARG 55 2HG ARG 55 -3.287 -3.094 4.389 435 HG3 ARG 55 3HG ARG 55 -3.791 -2.666 6.024 436 HD2 ARG 55 2HD ARG 55 -5.004 -1.688 3.435 437 HD3 ARG 55 3HD ARG 55 -5.730 -2.810 4.586 438 HE ARG 55 HE ARG 55 -5.165 0.019 5.245 439 HH11 ARG 55 1HH1 ARG 55 -7.202 -2.763 5.401 440 HH12 ARG 55 2HH1 ARG 55 -8.474 -1.913 6.205 441 HH21 ARG 55 1HH2 ARG 55 -6.782 1.087 6.256 442 HH22 ARG 55 2HH2 ARG 55 -8.233 0.248 6.701 443 H LEU 56 H LEU 56 -0.089 -0.783 3.439 444 HA LEU 56 HA LEU 56 0.383 -3.272 2.236 445 HB2 LEU 56 2HB LEU 56 1.819 -0.629 2.041 446 HB3 LEU 56 3HB LEU 56 2.351 -2.027 1.126 447 HG LEU 56 HG LEU 56 -0.411 -0.810 0.909 448 HD11 LEU 56 1HD1 LEU 56 0.350 0.116 -1.226 449 HD12 LEU 56 2HD1 LEU 56 1.979 -0.485 -0.913 450 HD13 LEU 56 3HD1 LEU 56 1.285 0.763 0.123 451 HD21 LEU 56 3HD2 LEU 56 -0.557 -2.190 -1.128 452 HD22 LEU 56 1HD2 LEU 56 -0.350 -3.171 0.321 453 HD23 LEU 56 2HD2 LEU 56 1.018 -2.893 -0.757 454 H ARG 57 H ARG 57 2.613 -1.326 4.264 455 HA ARG 57 HA ARG 57 4.720 -3.158 4.319 456 HB2 ARG 57 2HB ARG 57 3.909 -1.198 6.483 457 HB3 ARG 57 3HB ARG 57 5.462 -2.014 6.390 458 HG2 ARG 57 2HG ARG 57 5.767 -0.905 4.130 459 HG3 ARG 57 3HG ARG 57 4.358 0.082 4.533 460 HD2 ARG 57 2HD ARG 57 6.956 -0.081 6.077 461 HD3 ARG 57 3HD ARG 57 6.410 1.268 5.086 462 HE ARG 57 HE ARG 57 4.737 1.744 6.731 463 HH11 ARG 57 1HH1 ARG 57 7.030 -0.644 7.705 464 HH12 ARG 57 2HH1 ARG 57 6.704 -0.429 9.387 465 HH21 ARG 57 1HH2 ARG 57 4.380 2.050 8.894 466 HH22 ARG 57 2HH2 ARG 57 5.245 1.099 10.053 467 H ALA 58 H ALA 58 1.969 -2.842 6.554 468 HA ALA 58 HA ALA 58 2.719 -4.830 8.386 469 HB1 ALA 58 3HB ALA 58 0.960 -3.187 8.831 470 HB2 ALA 58 1HB ALA 58 0.381 -4.834 9.090 471 HB3 ALA 58 2HB ALA 58 -0.074 -3.959 7.628 472 H TYR 59 H TYR 59 1.021 -5.091 5.302 473 HA TYR 59 HA TYR 59 0.293 -7.848 5.625 474 HB2 TYR 59 2HB TYR 59 -0.962 -6.339 4.140 475 HB3 TYR 59 3HB TYR 59 0.455 -6.160 3.113 476 HD1 TYR 59 HD2 TYR 59 -2.226 -8.440 4.174 477 HD2 TYR 59 HD1 TYR 59 1.094 -7.917 1.561 478 HE1 TYR 59 HE2 TYR 59 -2.953 -10.398 2.871 479 HE2 TYR 59 HE1 TYR 59 0.381 -9.868 0.252 480 HH TYR 59 HH TYR 59 -2.675 -11.274 0.564 481 H GLN 60 H GLN 60 2.760 -6.217 3.612 482 HA GLN 60 HA GLN 60 3.892 -8.551 2.532 483 HB2 GLN 60 2HB GLN 60 4.175 -6.151 1.745 484 HB3 GLN 60 3HB GLN 60 5.361 -5.954 3.024 485 HG2 GLN 60 2HG GLN 60 5.710 -8.186 1.072 486 HG3 GLN 60 3HG GLN 60 6.073 -6.542 0.561 487 HE21 GLN 60 1HE2 GLN 60 7.854 -8.807 0.869 488 HE22 GLN 60 2HE2 GLN 60 9.070 -8.308 1.989 489 H ASP 61 H ASP 61 4.544 -6.843 5.530 490 HA ASP 61 HA ASP 61 6.855 -8.124 6.413 491 HB2 ASP 61 2HB ASP 61 5.938 -6.205 7.552 492 HB3 ASP 61 3HB ASP 61 4.457 -7.072 7.931 493 H GLN 62 H GLN 62 3.564 -9.326 6.276 494 HA GLN 62 HA GLN 62 4.000 -11.525 8.094 495 HB2 GLN 62 2HB GLN 62 1.700 -11.024 6.188 496 HB3 GLN 62 3HB GLN 62 1.712 -12.184 7.511 497 HG2 GLN 62 2HG GLN 62 1.868 -10.380 9.126 498 HG3 GLN 62 3HG GLN 62 1.964 -9.197 7.824 499 HE21 GLN 62 1HE2 GLN 62 0.150 -8.106 8.488 500 HE22 GLN 62 2HE2 GLN 62 -1.445 -8.751 8.330 501 H ILE 63 H ILE 63 3.964 -11.096 4.588 502 HA ILE 63 HA ILE 63 4.197 -13.957 4.102 503 HB ILE 63 HB ILE 63 4.259 -13.383 1.719 504 HG12 ILE 63 2HG1 ILE 63 4.122 -10.498 2.655 505 HG13 ILE 63 3HG1 ILE 63 5.511 -11.257 1.887 506 HG21 ILE 63 1HG2 ILE 63 2.081 -11.951 3.248 507 HG22 ILE 63 2HG2 ILE 63 2.097 -13.655 2.794 508 HG23 ILE 63 3HG2 ILE 63 2.001 -12.414 1.547 509 HD11 ILE 63 3HD1 ILE 63 4.200 -11.576 -0.156 510 HD12 ILE 63 1HD1 ILE 63 4.291 -9.877 0.316 511 HD13 ILE 63 2HD1 ILE 63 2.815 -10.799 0.619 512 H SER 64 H SER 64 6.317 -11.268 4.512 513 HA SER 64 HA SER 64 8.579 -12.627 3.239 514 HB2 SER 64 2HB SER 64 8.323 -10.211 2.839 515 HB3 SER 64 3HB SER 64 8.429 -9.906 4.573 516 HG SER 64 HG SER 64 10.543 -10.367 4.553 517 HA PRO 65 HA PRO 65 9.977 -14.468 7.082 518 HB2 PRO 65 2HB PRO 65 12.669 -14.233 5.823 519 HB3 PRO 65 3HB PRO 65 11.856 -15.653 6.490 520 HG2 PRO 65 2HG PRO 65 12.078 -15.332 3.855 521 HG3 PRO 65 3HG PRO 65 10.600 -16.003 4.571 522 HD2 PRO 65 2HD PRO 65 11.113 -13.239 3.526 523 HD3 PRO 65 3HD PRO 65 9.661 -14.252 3.369 524 H VAL 66 H VAL 66 9.801 -12.948 8.673 525 HA VAL 66 HA VAL 66 11.280 -10.525 8.799 526 HB VAL 66 HB VAL 66 10.445 -10.351 11.111 527 HG11 VAL 66 1HG1 VAL 66 8.367 -11.300 9.132 528 HG12 VAL 66 2HG1 VAL 66 8.992 -9.658 9.286 529 HG13 VAL 66 3HG1 VAL 66 8.038 -10.364 10.589 530 HG21 VAL 66 3HG2 VAL 66 9.389 -13.153 10.662 531 HG22 VAL 66 1HG2 VAL 66 9.014 -12.128 12.049 532 HG23 VAL 66 2HG2 VAL 66 10.667 -12.685 11.784 533 HA PRO 67 HA PRO 67 15.244 -11.502 10.472 534 HB2 PRO 67 2HB PRO 67 15.313 -10.025 12.854 535 HB3 PRO 67 3HB PRO 67 15.740 -9.425 11.251 536 HG2 PRO 67 2HG PRO 67 13.168 -9.155 12.752 537 HG3 PRO 67 3HG PRO 67 14.002 -7.968 11.730 538 HD2 PRO 67 2HD PRO 67 11.865 -9.284 10.824 539 HD3 PRO 67 3HD PRO 67 13.244 -8.962 9.750 540 H GLY 68 H GLY 68 12.529 -11.910 12.679 541 HA2 GLY 68 2HA GLY 68 14.008 -13.624 14.499 542 HA3 GLY 68 3HA GLY 68 12.291 -13.269 14.562 543 H ALA 69 H ALA 69 12.242 -14.083 11.581 544 HA ALA 69 HA ALA 69 11.678 -16.901 12.126 545 HB1 ALA 69 3HB ALA 69 10.441 -16.852 10.014 546 HB2 ALA 69 1HB ALA 69 10.993 -15.204 9.720 547 HB3 ALA 69 2HB ALA 69 9.926 -15.548 11.081 548 HA PRO 70 HA PRO 70 15.159 -18.323 9.670 549 HB2 PRO 70 2HB PRO 70 14.359 -20.806 9.030 550 HB3 PRO 70 3HB PRO 70 14.734 -20.360 10.700 551 HG2 PRO 70 2HG PRO 70 12.060 -20.590 9.360 552 HG3 PRO 70 3HG PRO 70 12.562 -21.164 10.961 553 HD2 PRO 70 2HD PRO 70 11.184 -18.826 10.544 554 HD3 PRO 70 3HD PRO 70 12.258 -19.099 11.930 555 H LYS 71 H LYS 71 15.825 -18.663 7.504 556 HA LYS 71 HA LYS 71 13.904 -17.809 5.490 557 HB2 LYS 71 2HB LYS 71 16.890 -18.257 5.396 558 HB3 LYS 71 3HB LYS 71 15.946 -17.920 3.952 559 HG2 LYS 71 2HG LYS 71 16.797 -15.842 4.566 560 HG3 LYS 71 3HG LYS 71 15.142 -15.816 5.169 561 HD2 LYS 71 2HD LYS 71 16.577 -14.885 6.853 562 HD3 LYS 71 3HD LYS 71 16.025 -16.463 7.419 563 HE2 LYS 71 2HE LYS 71 18.127 -17.473 6.852 564 HE3 LYS 71 3HE LYS 71 18.677 -16.003 6.050 565 HZ1 LYS 71 3HZ LYS 71 18.653 -14.873 8.187 566 HZ2 LYS 71 1HZ LYS 71 19.659 -16.231 8.239 567 HZ3 LYS 71 2HZ LYS 71 18.130 -16.282 8.957 568 H ALA 72 H ALA 72 13.133 -19.010 3.818 569 HA ALA 72 HA ALA 72 12.435 -20.824 2.660 570 HB1 ALA 72 3HB ALA 72 14.813 -21.220 2.169 571 HB2 ALA 72 1HB ALA 72 13.900 -22.721 2.298 572 HB3 ALA 72 2HB ALA 72 14.940 -22.205 3.625 573 HA PRO 73 HA PRO 73 10.587 -22.700 6.443 574 HB2 PRO 73 2HB PRO 73 8.013 -22.274 5.771 575 HB3 PRO 73 3HB PRO 73 9.022 -20.988 6.447 576 HG2 PRO 73 2HG PRO 73 8.294 -21.514 3.585 577 HG3 PRO 73 3HG PRO 73 8.315 -19.974 4.467 578 HD2 PRO 73 2HD PRO 73 10.337 -20.796 2.814 579 HD3 PRO 73 3HD PRO 73 10.586 -19.714 4.199 580 H ALA 74 H ALA 74 8.102 -24.039 5.988 581 HA ALA 74 HA ALA 74 8.946 -26.514 4.969 582 HB1 ALA 74 3HB ALA 74 7.106 -26.255 6.579 583 HB2 ALA 74 1HB ALA 74 6.633 -27.229 5.188 584 HB3 ALA 74 2HB ALA 74 6.105 -25.549 5.313 585 H ALA 75 H ALA 75 9.801 -26.257 2.885 586 HA ALA 75 HA ALA 75 8.154 -25.301 0.706 587 HB1 ALA 75 3HB ALA 75 10.079 -25.797 -0.705 588 HB2 ALA 75 1HB ALA 75 10.867 -26.629 0.637 589 HB3 ALA 75 2HB ALA 75 10.571 -24.893 0.727 Start of MODEL 7 1 H1 MET 1 1H MET 1 9.668 3.819 -45.443 2 H2 MET 1 2H MET 1 8.410 3.031 -46.247 3 H3 MET 1 3H MET 1 10.007 2.829 -46.772 4 HA MET 1 HA MET 1 8.891 1.929 -44.176 5 HB2 MET 1 2HB MET 1 9.790 0.337 -46.595 6 HB3 MET 1 3HB MET 1 9.275 -0.350 -45.061 7 HG2 MET 1 2HG MET 1 7.498 -0.485 -46.694 8 HG3 MET 1 3HG MET 1 7.045 0.598 -45.377 9 HE1 MET 1 3HE MET 1 5.279 2.219 -48.497 10 HE2 MET 1 1HE MET 1 5.051 1.591 -46.865 11 HE3 MET 1 2HE MET 1 5.496 0.499 -48.177 12 H GLY 2 H GLY 2 10.350 0.873 -42.774 13 HA2 GLY 2 2HA GLY 2 13.150 1.657 -43.133 14 HA3 GLY 2 3HA GLY 2 12.416 1.053 -41.656 15 H HIS 3 H HIS 3 14.062 0.213 -44.591 16 HA HIS 3 HA HIS 3 13.595 -2.554 -44.640 17 HB2 HIS 3 2HB HIS 3 15.690 -2.705 -46.001 18 HB3 HIS 3 3HB HIS 3 14.529 -1.522 -46.581 19 HD1 HIS 3 HD1 HIS 3 16.659 -0.553 -47.864 20 HD2 HIS 3 HD2 HIS 3 16.698 -0.121 -43.731 21 HE1 HIS 3 HE1 HIS 3 18.425 1.164 -47.382 22 HE2 HIS 3 HE2 HIS 3 18.333 1.510 -44.893 23 H HIS 4 H HIS 4 15.604 -0.717 -42.531 24 HA HIS 4 HA HIS 4 16.293 -3.190 -41.118 25 HB2 HIS 4 2HB HIS 4 18.294 -1.091 -41.972 26 HB3 HIS 4 3HB HIS 4 18.596 -2.170 -40.614 27 HD1 HIS 4 HD1 HIS 4 18.832 -4.737 -41.185 28 HD2 HIS 4 HD2 HIS 4 18.697 -2.205 -44.473 29 HE1 HIS 4 HE1 HIS 4 19.630 -6.113 -43.120 30 HE2 HIS 4 HE2 HIS 4 19.747 -4.498 -45.043 31 H HIS 5 H HIS 5 15.090 -2.873 -39.346 32 HA HIS 5 HA HIS 5 14.614 -0.278 -38.226 33 HB2 HIS 5 2HB HIS 5 13.953 -3.018 -37.118 34 HB3 HIS 5 3HB HIS 5 13.328 -1.488 -36.505 35 HD1 HIS 5 HD1 HIS 5 12.671 -4.091 -38.981 36 HD2 HIS 5 HD2 HIS 5 11.596 -0.121 -38.417 37 HE1 HIS 5 HE1 HIS 5 10.704 -3.711 -40.488 38 HE2 HIS 5 HE2 HIS 5 9.970 -1.356 -40.000 39 H HIS 6 H HIS 6 16.047 0.790 -37.051 40 HA HIS 6 HA HIS 6 18.192 -0.581 -35.647 41 HB2 HIS 6 2HB HIS 6 17.574 2.369 -35.945 42 HB3 HIS 6 3HB HIS 6 19.025 1.711 -35.193 43 HD1 HIS 6 HD1 HIS 6 17.327 1.941 -38.570 44 HD2 HIS 6 HD2 HIS 6 21.040 1.033 -36.938 45 HE1 HIS 6 HE1 HIS 6 18.900 1.798 -40.518 46 HE2 HIS 6 HE2 HIS 6 21.092 1.073 -39.523 47 H HIS 7 H HIS 7 18.152 -1.088 -33.536 48 HA HIS 7 HA HIS 7 15.905 -0.378 -31.888 49 HB2 HIS 7 2HB HIS 7 18.451 -1.900 -31.277 50 HB3 HIS 7 3HB HIS 7 17.141 -1.678 -30.120 51 HD1 HIS 7 HD1 HIS 7 18.029 -3.519 -33.252 52 HD2 HIS 7 HD2 HIS 7 14.864 -3.238 -30.583 53 HE1 HIS 7 HE1 HIS 7 16.496 -5.416 -33.834 54 HE2 HIS 7 HE2 HIS 7 14.698 -5.340 -32.077 55 H HIS 8 H HIS 8 15.685 1.384 -30.689 56 HA HIS 8 HA HIS 8 17.850 3.282 -30.492 57 HB2 HIS 8 2HB HIS 8 14.977 3.378 -29.558 58 HB3 HIS 8 3HB HIS 8 16.110 4.713 -29.369 59 HD1 HIS 8 HD1 HIS 8 13.653 3.398 -31.667 60 HD2 HIS 8 HD2 HIS 8 17.148 5.624 -31.999 61 HE1 HIS 8 HE1 HIS 8 13.557 4.463 -33.937 62 HE2 HIS 8 HE2 HIS 8 15.733 5.709 -34.161 63 H SER 9 H SER 9 19.330 3.198 -28.934 64 HA SER 9 HA SER 9 18.547 3.196 -26.167 65 HB2 SER 9 2HB SER 9 18.656 0.755 -26.593 66 HB3 SER 9 3HB SER 9 20.329 0.932 -27.122 67 HG SER 9 HG SER 9 20.858 0.779 -25.106 68 H HIS 10 H HIS 10 20.212 3.932 -24.777 69 HA HIS 10 HA HIS 10 22.110 5.623 -26.169 70 HB2 HIS 10 2HB HIS 10 21.647 5.353 -23.188 71 HB3 HIS 10 3HB HIS 10 22.492 6.663 -24.008 72 HD1 HIS 10 HD1 HIS 10 19.278 5.787 -22.675 73 HD2 HIS 10 HD2 HIS 10 20.627 8.144 -25.825 74 HE1 HIS 10 HE1 HIS 10 17.364 7.307 -23.249 75 HE2 HIS 10 HE2 HIS 10 18.248 8.811 -25.058 76 H MET 11 H MET 11 24.350 5.852 -25.351 77 HA MET 11 HA MET 11 25.583 3.250 -24.720 78 HB2 MET 11 2HB MET 11 26.945 5.770 -25.703 79 HB3 MET 11 3HB MET 11 27.638 4.155 -25.615 80 HG2 MET 11 2HG MET 11 25.451 5.097 -27.459 81 HG3 MET 11 3HG MET 11 27.104 4.669 -27.898 82 HE1 MET 11 3HE MET 11 28.079 2.220 -27.695 83 HE2 MET 11 1HE MET 11 27.125 0.798 -27.279 84 HE3 MET 11 2HE MET 11 27.496 2.004 -26.048 85 H SER 12 H SER 12 24.409 5.691 -23.036 86 HA SER 12 HA SER 12 26.598 6.483 -21.352 87 HB2 SER 12 2HB SER 12 23.609 6.819 -20.972 88 HB3 SER 12 3HB SER 12 24.856 7.633 -20.031 89 HG SER 12 HG SER 12 23.809 8.676 -22.033 90 H THR 13 H THR 13 25.411 6.404 -18.779 91 HA THR 13 HA THR 13 26.249 3.926 -17.800 92 HB THR 13 HB THR 13 25.095 4.517 -15.681 93 HG1 THR 13 HG1 THR 13 23.259 5.575 -16.454 94 HG21 THR 13 3HG2 THR 13 26.353 6.571 -15.219 95 HG22 THR 13 1HG2 THR 13 26.606 6.809 -16.949 96 HG23 THR 13 2HG2 THR 13 27.326 5.421 -16.135 97 HA PRO 14 HA PRO 14 22.896 1.128 -18.715 98 HB2 PRO 14 2HB PRO 14 23.784 -0.241 -16.226 99 HB3 PRO 14 3HB PRO 14 23.611 -0.882 -17.863 100 HG2 PRO 14 2HG PRO 14 26.026 -0.403 -16.840 101 HG3 PRO 14 3HG PRO 14 25.677 -0.060 -18.546 102 HD2 PRO 14 2HD PRO 14 25.858 1.836 -16.231 103 HD3 PRO 14 3HD PRO 14 26.446 2.033 -17.896 104 H LEU 15 H LEU 15 20.866 0.439 -17.849 105 HA LEU 15 HA LEU 15 19.734 2.286 -15.943 106 HB2 LEU 15 2HB LEU 15 18.456 -0.079 -17.327 107 HB3 LEU 15 3HB LEU 15 17.610 1.199 -16.472 108 HG LEU 15 HG LEU 15 19.203 1.515 -19.025 109 HD11 LEU 15 1HD1 LEU 15 17.048 1.991 -20.059 110 HD12 LEU 15 2HD1 LEU 15 16.232 1.680 -18.527 111 HD13 LEU 15 3HD1 LEU 15 17.076 0.374 -19.358 112 HD21 LEU 15 3HD2 LEU 15 19.390 3.512 -17.626 113 HD22 LEU 15 1HD2 LEU 15 17.634 3.577 -17.470 114 HD23 LEU 15 2HD2 LEU 15 18.388 3.822 -19.046 115 H THR 16 H THR 16 18.259 1.461 -14.187 116 HA THR 16 HA THR 16 19.443 -0.890 -12.832 117 HB THR 16 HB THR 16 20.138 1.123 -11.659 118 HG1 THR 16 HG1 THR 16 18.066 -0.173 -10.171 119 HG21 THR 16 3HG2 THR 16 17.194 1.744 -11.349 120 HG22 THR 16 1HG2 THR 16 18.340 2.640 -12.346 121 HG23 THR 16 2HG2 THR 16 18.520 2.626 -10.592 122 H GLY 17 H GLY 17 18.088 -2.340 -11.867 123 HA2 GLY 17 2HA GLY 17 15.269 -2.156 -12.599 124 HA3 GLY 17 3HA GLY 17 16.096 -3.574 -11.981 125 H LYS 18 H LYS 18 13.775 -3.350 -10.899 126 HA LYS 18 HA LYS 18 14.127 -1.958 -8.313 127 HB2 LYS 18 2HB LYS 18 11.583 -2.748 -9.752 128 HB3 LYS 18 3HB LYS 18 11.633 -2.067 -8.133 129 HG2 LYS 18 2HG LYS 18 12.696 -0.031 -9.053 130 HG3 LYS 18 3HG LYS 18 12.537 -0.713 -10.673 131 HD2 LYS 18 2HD LYS 18 10.239 -0.128 -8.793 132 HD3 LYS 18 3HD LYS 18 10.738 0.898 -10.137 133 HE2 LYS 18 2HE LYS 18 10.260 -0.942 -11.701 134 HE3 LYS 18 3HE LYS 18 9.729 -1.944 -10.350 135 HZ1 LYS 18 3HZ LYS 18 7.880 -0.888 -11.536 136 HZ2 LYS 18 1HZ LYS 18 8.489 0.638 -11.138 137 HZ3 LYS 18 2HZ LYS 18 7.946 -0.403 -9.917 138 HA PRO 19 HA PRO 19 14.228 -5.932 -6.317 139 HB2 PRO 19 2HB PRO 19 13.473 -5.247 -3.804 140 HB3 PRO 19 3HB PRO 19 15.043 -4.793 -4.477 141 HG2 PRO 19 2HG PRO 19 12.534 -3.160 -4.262 142 HG3 PRO 19 3HG PRO 19 14.204 -2.693 -3.883 143 HD2 PRO 19 2HD PRO 19 12.998 -2.013 -6.214 144 HD3 PRO 19 3HD PRO 19 14.741 -2.334 -6.105 145 H GLY 20 H GLY 20 12.904 -7.613 -5.496 146 HA2 GLY 20 2HA GLY 20 10.146 -7.508 -6.323 147 HA3 GLY 20 3HA GLY 20 10.974 -8.882 -5.611 148 H ALA 21 H ALA 21 9.817 -5.653 -4.673 149 HA ALA 21 HA ALA 21 8.208 -6.639 -2.518 150 HB1 ALA 21 3HB ALA 21 10.733 -5.142 -1.770 151 HB2 ALA 21 1HB ALA 21 10.434 -6.857 -1.477 152 HB3 ALA 21 2HB ALA 21 9.449 -5.639 -0.666 153 H LEU 22 H LEU 22 7.840 -4.459 -0.988 154 HA LEU 22 HA LEU 22 6.371 -2.672 -2.573 155 HB2 LEU 22 2HB LEU 22 7.461 -2.294 0.219 156 HB3 LEU 22 3HB LEU 22 6.264 -1.256 -0.530 157 HG LEU 22 HG LEU 22 5.876 -4.191 0.082 158 HD11 LEU 22 1HD1 LEU 22 4.406 -3.440 1.857 159 HD12 LEU 22 2HD1 LEU 22 4.743 -1.756 1.458 160 HD13 LEU 22 3HD1 LEU 22 6.026 -2.784 2.097 161 HD21 LEU 22 3HD2 LEU 22 3.938 -2.106 -0.938 162 HD22 LEU 22 1HD2 LEU 22 3.523 -3.756 -0.473 163 HD23 LEU 22 2HD2 LEU 22 4.575 -3.470 -1.859 164 HA PRO 23 HA PRO 23 9.567 0.179 -3.975 165 HB2 PRO 23 2HB PRO 23 7.901 2.219 -4.729 166 HB3 PRO 23 3HB PRO 23 8.176 0.776 -5.715 167 HG2 PRO 23 2HG PRO 23 5.894 1.411 -3.877 168 HG3 PRO 23 3HG PRO 23 5.862 0.663 -5.486 169 HD2 PRO 23 2HD PRO 23 5.651 -0.784 -3.203 170 HD3 PRO 23 3HD PRO 23 6.432 -1.422 -4.664 171 H ALA 24 H ALA 24 10.783 1.294 -2.544 172 HA ALA 24 HA ALA 24 9.924 2.187 -0.049 173 HB1 ALA 24 3HB ALA 24 12.098 3.234 0.172 174 HB2 ALA 24 1HB ALA 24 12.339 3.161 -1.575 175 HB3 ALA 24 2HB ALA 24 12.260 1.672 -0.633 176 H ASN 25 H ASN 25 9.375 3.700 -3.028 177 HA ASN 25 HA ASN 25 9.191 6.400 -1.934 178 HB2 ASN 25 2HB ASN 25 8.694 5.333 -4.726 179 HB3 ASN 25 3HB ASN 25 8.621 7.032 -4.271 180 HD21 ASN 25 1HD2 ASN 25 10.532 8.116 -3.747 181 HD22 ASN 25 2HD2 ASN 25 12.075 7.492 -4.208 182 H LEU 26 H LEU 26 7.326 4.404 -0.889 183 HA LEU 26 HA LEU 26 4.791 4.443 -2.029 184 HB2 LEU 26 2HB LEU 26 5.564 4.346 0.889 185 HB3 LEU 26 3HB LEU 26 3.944 4.032 0.294 186 HG LEU 26 HG LEU 26 6.398 2.407 -0.414 187 HD11 LEU 26 1HD1 LEU 26 5.754 2.122 1.927 188 HD12 LEU 26 2HD1 LEU 26 5.424 0.665 0.989 189 HD13 LEU 26 3HD1 LEU 26 4.103 1.746 1.435 190 HD21 LEU 26 3HD2 LEU 26 4.785 0.829 -1.397 191 HD22 LEU 26 1HD2 LEU 26 4.759 2.392 -2.210 192 HD23 LEU 26 2HD2 LEU 26 3.478 1.970 -1.072 193 H ASP 27 H ASP 27 6.333 6.895 -0.010 194 HA ASP 27 HA ASP 27 4.048 8.569 0.286 195 HB2 ASP 27 2HB ASP 27 7.012 9.128 0.445 196 HB3 ASP 27 3HB ASP 27 5.794 10.366 0.741 197 H ASP 28 H ASP 28 6.608 8.398 -2.148 198 HA ASP 28 HA ASP 28 5.830 10.731 -3.580 199 HB2 ASP 28 2HB ASP 28 7.397 8.319 -4.532 200 HB3 ASP 28 3HB ASP 28 7.306 9.873 -5.356 201 H MET 29 H MET 29 4.875 7.355 -3.728 202 HA MET 29 HA MET 29 3.509 7.430 -6.214 203 HB2 MET 29 2HB MET 29 3.086 5.625 -3.819 204 HB3 MET 29 3HB MET 29 2.398 5.355 -5.414 205 HG2 MET 29 2HG MET 29 4.666 5.174 -6.345 206 HG3 MET 29 3HG MET 29 5.331 5.395 -4.727 207 HE1 MET 29 3HE MET 29 3.181 3.105 -7.059 208 HE2 MET 29 1HE MET 29 2.084 3.348 -5.698 209 HE3 MET 29 2HE MET 29 2.785 1.755 -5.991 210 H LYS 30 H LYS 30 1.390 7.824 -6.728 211 HA LYS 30 HA LYS 30 -0.025 9.612 -4.966 212 HB2 LYS 30 2HB LYS 30 -0.634 8.586 -7.746 213 HB3 LYS 30 3HB LYS 30 -1.631 9.762 -6.896 214 HG2 LYS 30 2HG LYS 30 0.199 11.335 -6.816 215 HG3 LYS 30 3HG LYS 30 1.295 10.152 -7.531 216 HD2 LYS 30 2HD LYS 30 -1.181 11.207 -8.913 217 HD3 LYS 30 3HD LYS 30 0.428 11.901 -9.119 218 HE2 LYS 30 2HE LYS 30 1.227 9.688 -9.918 219 HE3 LYS 30 3HE LYS 30 -0.427 9.085 -9.809 220 HZ1 LYS 30 3HZ LYS 30 -1.104 10.720 -11.429 221 HZ2 LYS 30 1HZ LYS 30 0.149 9.777 -12.056 222 HZ3 LYS 30 2HZ LYS 30 0.462 11.346 -11.513 223 H VAL 31 H VAL 31 -2.336 9.398 -4.496 224 HA VAL 31 HA VAL 31 -2.887 7.227 -2.900 225 HB VAL 31 HB VAL 31 -4.902 9.027 -4.266 226 HG11 VAL 31 1HG1 VAL 31 -6.405 8.446 -2.415 227 HG12 VAL 31 2HG1 VAL 31 -5.215 7.295 -1.807 228 HG13 VAL 31 3HG1 VAL 31 -5.980 7.029 -3.375 229 HG21 VAL 31 3HG2 VAL 31 -3.550 9.260 -1.571 230 HG22 VAL 31 1HG2 VAL 31 -4.812 10.331 -2.181 231 HG23 VAL 31 2HG2 VAL 31 -3.240 10.276 -2.979 232 H ALA 32 H ALA 32 -4.125 7.716 -6.218 233 HA ALA 32 HA ALA 32 -5.667 5.387 -6.398 234 HB1 ALA 32 3HB ALA 32 -5.800 7.218 -8.020 235 HB2 ALA 32 1HB ALA 32 -5.544 5.668 -8.821 236 HB3 ALA 32 2HB ALA 32 -4.201 6.798 -8.632 237 H GLU 33 H GLU 33 -2.219 5.882 -6.987 238 HA GLU 33 HA GLU 33 -1.652 3.323 -8.068 239 HB2 GLU 33 2HB GLU 33 0.164 5.213 -6.551 240 HB3 GLU 33 3HB GLU 33 0.703 3.824 -7.485 241 HG2 GLU 33 2HG GLU 33 -0.277 4.883 -9.514 242 HG3 GLU 33 3HG GLU 33 -0.640 6.309 -8.540 243 H LEU 34 H LEU 34 -1.340 4.606 -4.744 244 HA LEU 34 HA LEU 34 -0.427 2.256 -3.524 245 HB2 LEU 34 2HB LEU 34 -2.157 4.443 -2.365 246 HB3 LEU 34 3HB LEU 34 -1.347 3.209 -1.419 247 HG LEU 34 HG LEU 34 0.009 5.334 -3.092 248 HD11 LEU 34 1HD1 LEU 34 0.775 6.217 -0.935 249 HD12 LEU 34 2HD1 LEU 34 -0.188 4.999 -0.096 250 HD13 LEU 34 3HD1 LEU 34 -0.982 6.244 -1.064 251 HD21 LEU 34 3HD2 LEU 34 1.315 3.283 -3.096 252 HD22 LEU 34 1HD2 LEU 34 1.206 3.184 -1.336 253 HD23 LEU 34 2HD2 LEU 34 2.096 4.505 -2.094 254 H LYS 35 H LYS 35 -3.766 3.405 -3.977 255 HA LYS 35 HA LYS 35 -5.044 1.209 -2.759 256 HB2 LYS 35 2HB LYS 35 -6.012 3.092 -4.922 257 HB3 LYS 35 3HB LYS 35 -7.042 1.922 -4.104 258 HG2 LYS 35 2HG LYS 35 -6.480 3.029 -1.942 259 HG3 LYS 35 3HG LYS 35 -5.611 4.264 -2.853 260 HD2 LYS 35 2HD LYS 35 -7.659 4.909 -3.993 261 HD3 LYS 35 3HD LYS 35 -8.544 3.607 -3.192 262 HE2 LYS 35 2HE LYS 35 -8.048 4.661 -1.011 263 HE3 LYS 35 3HE LYS 35 -7.252 5.989 -1.853 264 HZ1 LYS 35 3HZ LYS 35 -9.511 6.554 -1.246 265 HZ2 LYS 35 1HZ LYS 35 -10.108 5.235 -2.115 266 HZ3 LYS 35 2HZ LYS 35 -9.356 6.508 -2.931 267 H GLN 36 H GLN 36 -3.783 1.640 -6.016 268 HA GLN 36 HA GLN 36 -4.894 -0.751 -7.114 269 HB2 GLN 36 2HB GLN 36 -3.908 1.279 -8.352 270 HB3 GLN 36 3HB GLN 36 -2.330 0.591 -8.005 271 HG2 GLN 36 2HG GLN 36 -4.422 -1.033 -9.407 272 HG3 GLN 36 3HG GLN 36 -3.458 0.142 -10.294 273 HE21 GLN 36 1HE2 GLN 36 -3.567 -2.769 -10.534 274 HE22 GLN 36 2HE2 GLN 36 -1.947 -3.315 -10.305 275 H GLU 37 H GLU 37 -1.760 0.040 -5.636 276 HA GLU 37 HA GLU 37 -0.542 -2.469 -5.690 277 HB2 GLU 37 2HB GLU 37 -0.354 -0.211 -3.685 278 HB3 GLU 37 3HB GLU 37 0.685 -1.628 -3.628 279 HG2 GLU 37 2HG GLU 37 0.510 0.181 -6.027 280 HG3 GLU 37 3HG GLU 37 1.657 0.429 -4.712 281 H LEU 38 H LEU 38 -2.977 -1.191 -3.501 282 HA LEU 38 HA LEU 38 -2.859 -3.259 -1.558 283 HB2 LEU 38 2HB LEU 38 -5.061 -1.330 -2.301 284 HB3 LEU 38 3HB LEU 38 -5.164 -2.434 -0.942 285 HG LEU 38 HG LEU 38 -3.059 -0.275 -1.227 286 HD11 LEU 38 1HD1 LEU 38 -4.319 0.949 0.460 287 HD12 LEU 38 2HD1 LEU 38 -5.571 -0.293 0.445 288 HD13 LEU 38 3HD1 LEU 38 -5.291 0.696 -0.987 289 HD21 LEU 38 3HD2 LEU 38 -2.345 -2.161 0.156 290 HD22 LEU 38 1HD2 LEU 38 -3.816 -2.022 1.123 291 HD23 LEU 38 2HD2 LEU 38 -2.620 -0.723 1.140 292 H LYS 39 H LYS 39 -5.236 -2.690 -4.183 293 HA LYS 39 HA LYS 39 -6.808 -4.940 -3.663 294 HB2 LYS 39 2HB LYS 39 -7.809 -4.598 -5.846 295 HB3 LYS 39 3HB LYS 39 -7.546 -3.050 -5.057 296 HG2 LYS 39 2HG LYS 39 -5.572 -2.664 -6.426 297 HG3 LYS 39 3HG LYS 39 -5.776 -4.239 -7.188 298 HD2 LYS 39 2HD LYS 39 -6.663 -2.655 -8.711 299 HD3 LYS 39 3HD LYS 39 -8.052 -3.443 -7.964 300 HE2 LYS 39 2HE LYS 39 -6.934 -0.790 -7.050 301 HE3 LYS 39 3HE LYS 39 -8.232 -0.949 -8.228 302 HZ1 LYS 39 3HZ LYS 39 -9.580 -2.041 -6.561 303 HZ2 LYS 39 1HZ LYS 39 -9.068 -0.533 -6.002 304 HZ3 LYS 39 2HZ LYS 39 -8.333 -1.938 -5.427 305 H LEU 40 H LEU 40 -3.880 -4.680 -5.610 306 HA LEU 40 HA LEU 40 -3.987 -7.126 -6.975 307 HB2 LEU 40 2HB LEU 40 -1.597 -5.652 -5.854 308 HB3 LEU 40 3HB LEU 40 -1.486 -7.007 -6.962 309 HG LEU 40 HG LEU 40 -2.797 -4.355 -7.591 310 HD11 LEU 40 1HD1 LEU 40 -0.126 -5.468 -8.460 311 HD12 LEU 40 2HD1 LEU 40 -0.384 -4.134 -7.335 312 HD13 LEU 40 3HD1 LEU 40 -0.855 -3.964 -9.023 313 HD21 LEU 40 3HD2 LEU 40 -2.219 -6.751 -9.345 314 HD22 LEU 40 1HD2 LEU 40 -2.813 -5.187 -9.909 315 HD23 LEU 40 2HD2 LEU 40 -3.810 -6.175 -8.844 316 H ARG 41 H ARG 41 -3.141 -6.417 -3.653 317 HA ARG 41 HA ARG 41 -2.384 -9.237 -3.206 318 HB2 ARG 41 2HB ARG 41 -1.406 -6.683 -1.932 319 HB3 ARG 41 3HB ARG 41 -1.094 -8.267 -1.229 320 HG2 ARG 41 2HG ARG 41 0.185 -8.954 -3.110 321 HG3 ARG 41 3HG ARG 41 -0.327 -7.556 -4.054 322 HD2 ARG 41 2HD ARG 41 1.290 -7.331 -1.518 323 HD3 ARG 41 3HD ARG 41 2.017 -7.455 -3.120 324 HE ARG 41 HE ARG 41 0.125 -5.290 -2.493 325 HH11 ARG 41 1HH1 ARG 41 3.248 -6.331 -3.497 326 HH12 ARG 41 2HH1 ARG 41 3.730 -4.757 -4.018 327 HH21 ARG 41 1HH2 ARG 41 0.749 -3.282 -3.146 328 HH22 ARG 41 2HH2 ARG 41 2.321 -3.038 -3.830 329 H SER 42 H SER 42 -5.110 -8.171 -3.081 330 HA SER 42 HA SER 42 -6.971 -8.752 -1.901 331 HB2 SER 42 2HB SER 42 -5.753 -10.833 -1.365 332 HB3 SER 42 3HB SER 42 -5.043 -10.053 0.047 333 HG SER 42 HG SER 42 -7.826 -10.011 -0.173 334 H LEU 43 H LEU 43 -5.056 -6.375 -1.068 335 HA LEU 43 HA LEU 43 -5.976 -5.894 1.653 336 HB2 LEU 43 2HB LEU 43 -4.117 -4.404 -0.191 337 HB3 LEU 43 3HB LEU 43 -4.574 -3.790 1.388 338 HG LEU 43 HG LEU 43 -3.204 -6.456 0.969 339 HD11 LEU 43 1HD1 LEU 43 -1.154 -5.361 1.727 340 HD12 LEU 43 2HD1 LEU 43 -1.982 -3.803 1.746 341 HD13 LEU 43 3HD1 LEU 43 -1.734 -4.652 0.220 342 HD21 LEU 43 3HD2 LEU 43 -2.769 -6.295 3.372 343 HD22 LEU 43 1HD2 LEU 43 -4.497 -6.265 3.033 344 HD23 LEU 43 2HD2 LEU 43 -3.653 -4.770 3.436 345 HA PRO 44 HA PRO 44 -9.390 -3.283 0.429 346 HB2 PRO 44 2HB PRO 44 -9.909 -2.103 2.797 347 HB3 PRO 44 3HB PRO 44 -10.227 -3.818 2.517 348 HG2 PRO 44 2HG PRO 44 -7.889 -2.530 3.894 349 HG3 PRO 44 3HG PRO 44 -8.844 -3.941 4.391 350 HD2 PRO 44 2HD PRO 44 -6.428 -4.144 3.140 351 HD3 PRO 44 3HD PRO 44 -7.706 -5.365 2.981 352 H VAL 45 H VAL 45 -9.776 -1.206 -0.266 353 HA VAL 45 HA VAL 45 -7.491 0.640 -0.159 354 HB VAL 45 HB VAL 45 -8.464 1.723 -2.110 355 HG11 VAL 45 1HG1 VAL 45 -8.410 -1.286 -2.378 356 HG12 VAL 45 2HG1 VAL 45 -7.024 -0.200 -2.486 357 HG13 VAL 45 3HG1 VAL 45 -8.292 -0.134 -3.710 358 HG21 VAL 45 3HG2 VAL 45 -10.740 -0.250 -1.807 359 HG22 VAL 45 1HG2 VAL 45 -10.501 0.833 -3.181 360 HG23 VAL 45 2HG2 VAL 45 -10.831 1.496 -1.581 361 H SER 46 H SER 46 -10.234 0.280 1.582 362 HA SER 46 HA SER 46 -11.289 2.966 1.531 363 HB2 SER 46 2HB SER 46 -12.698 2.083 3.455 364 HB3 SER 46 3HB SER 46 -12.855 1.220 1.925 365 HG SER 46 HG SER 46 -11.997 0.318 4.332 366 H GLY 47 H GLY 47 -8.611 3.204 2.165 367 HA2 GLY 47 2HA GLY 47 -8.747 4.120 4.976 368 HA3 GLY 47 3HA GLY 47 -7.335 3.270 4.370 369 H THR 48 H THR 48 -6.857 5.621 5.505 370 HA THR 48 HA THR 48 -6.804 7.804 3.604 371 HB THR 48 HB THR 48 -5.573 9.033 5.321 372 HG1 THR 48 HG1 THR 48 -4.835 8.019 7.169 373 HG21 THR 48 3HG2 THR 48 -8.012 8.880 5.578 374 HG22 THR 48 1HG2 THR 48 -7.210 8.944 7.149 375 HG23 THR 48 2HG2 THR 48 -7.823 7.409 6.533 376 H LYS 49 H LYS 49 -4.563 8.963 3.344 377 HA LYS 49 HA LYS 49 -2.925 7.496 1.678 378 HB2 LYS 49 2HB LYS 49 -2.904 9.951 1.799 379 HB3 LYS 49 3HB LYS 49 -2.130 9.874 3.376 380 HG2 LYS 49 2HG LYS 49 -0.467 10.395 1.732 381 HG3 LYS 49 3HG LYS 49 -0.177 8.759 2.314 382 HD2 LYS 49 2HD LYS 49 -1.227 7.843 0.315 383 HD3 LYS 49 3HD LYS 49 -1.621 9.468 -0.248 384 HE2 LYS 49 2HE LYS 49 1.156 8.344 0.155 385 HE3 LYS 49 3HE LYS 49 0.350 8.592 -1.394 386 HZ1 LYS 49 3HZ LYS 49 0.229 11.008 -0.754 387 HZ2 LYS 49 1HZ LYS 49 1.779 10.415 -1.080 388 HZ3 LYS 49 2HZ LYS 49 1.286 10.653 0.518 389 H THR 50 H THR 50 -2.289 8.253 5.117 390 HA THR 50 HA THR 50 0.072 6.725 5.352 391 HB THR 50 HB THR 50 -1.938 7.488 7.487 392 HG1 THR 50 HG1 THR 50 -0.973 9.357 7.367 393 HG21 THR 50 3HG2 THR 50 0.890 6.454 7.814 394 HG22 THR 50 1HG2 THR 50 -0.582 5.585 8.250 395 HG23 THR 50 2HG2 THR 50 -0.142 7.063 9.110 396 H GLU 51 H GLU 51 -3.339 5.844 5.852 397 HA GLU 51 HA GLU 51 -2.913 3.264 6.881 398 HB2 GLU 51 2HB GLU 51 -5.211 4.454 5.333 399 HB3 GLU 51 3HB GLU 51 -5.239 2.795 5.917 400 HG2 GLU 51 2HG GLU 51 -4.982 5.279 7.606 401 HG3 GLU 51 3HG GLU 51 -6.413 4.258 7.448 402 H LEU 52 H LEU 52 -3.232 4.357 3.511 403 HA LEU 52 HA LEU 52 -3.184 1.853 2.253 404 HB2 LEU 52 2HB LEU 52 -1.856 4.344 1.170 405 HB3 LEU 52 3HB LEU 52 -2.523 3.009 0.253 406 HG LEU 52 HG LEU 52 -4.090 5.054 1.832 407 HD11 LEU 52 1HD1 LEU 52 -3.196 5.939 -0.246 408 HD12 LEU 52 2HD1 LEU 52 -4.945 5.744 -0.354 409 HD13 LEU 52 3HD1 LEU 52 -3.879 4.579 -1.138 410 HD21 LEU 52 3HD2 LEU 52 -5.171 2.864 1.946 411 HD22 LEU 52 1HD2 LEU 52 -5.104 2.736 0.190 412 HD23 LEU 52 2HD2 LEU 52 -6.093 3.984 0.948 413 H ILE 53 H ILE 53 -0.499 4.037 3.071 414 HA ILE 53 HA ILE 53 1.608 2.405 2.144 415 HB ILE 53 HB ILE 53 1.613 4.545 4.285 416 HG12 ILE 53 2HG1 ILE 53 2.342 4.659 1.341 417 HG13 ILE 53 3HG1 ILE 53 0.882 5.322 2.064 418 HG21 ILE 53 1HG2 ILE 53 3.964 3.314 2.837 419 HG22 ILE 53 2HG2 ILE 53 3.566 3.098 4.541 420 HG23 ILE 53 3HG2 ILE 53 4.037 4.686 3.940 421 HD11 ILE 53 3HD1 ILE 53 2.534 7.044 1.602 422 HD12 ILE 53 1HD1 ILE 53 3.691 6.230 2.653 423 HD13 ILE 53 2HD1 ILE 53 2.211 6.910 3.331 424 H GLU 54 H GLU 54 0.455 2.911 5.499 425 HA GLU 54 HA GLU 54 2.198 1.109 6.748 426 HB2 GLU 54 2HB GLU 54 -0.534 2.113 7.566 427 HB3 GLU 54 3HB GLU 54 0.479 1.130 8.614 428 HG2 GLU 54 2HG GLU 54 1.276 3.804 7.472 429 HG3 GLU 54 3HG GLU 54 0.614 3.554 9.087 430 H ARG 55 H ARG 55 -1.064 0.575 5.448 431 HA ARG 55 HA ARG 55 -1.354 -2.066 6.435 432 HB2 ARG 55 2HB ARG 55 -3.120 -0.397 5.488 433 HB3 ARG 55 3HB ARG 55 -2.719 -1.103 3.930 434 HG2 ARG 55 2HG ARG 55 -3.517 -3.229 4.568 435 HG3 ARG 55 3HG ARG 55 -3.552 -2.788 6.279 436 HD2 ARG 55 2HD ARG 55 -5.342 -1.715 4.091 437 HD3 ARG 55 3HD ARG 55 -5.809 -2.798 5.404 438 HE ARG 55 HE ARG 55 -4.709 -0.274 6.282 439 HH11 ARG 55 1HH1 ARG 55 -7.571 -2.016 5.505 440 HH12 ARG 55 2HH1 ARG 55 -8.616 -0.870 6.267 441 HH21 ARG 55 1HH2 ARG 55 -6.070 1.206 7.278 442 HH22 ARG 55 2HH2 ARG 55 -7.783 0.942 7.230 443 H LEU 56 H LEU 56 -0.046 -0.760 3.411 444 HA LEU 56 HA LEU 56 0.496 -3.206 2.112 445 HB2 LEU 56 2HB LEU 56 1.773 -0.484 1.969 446 HB3 LEU 56 3HB LEU 56 2.409 -1.825 1.037 447 HG LEU 56 HG LEU 56 -0.433 -0.816 0.811 448 HD11 LEU 56 1HD1 LEU 56 1.929 -0.262 -0.994 449 HD12 LEU 56 2HD1 LEU 56 1.160 0.904 0.085 450 HD13 LEU 56 3HD1 LEU 56 0.259 0.235 -1.275 451 HD21 LEU 56 3HD2 LEU 56 1.171 -2.711 -0.915 452 HD22 LEU 56 1HD2 LEU 56 -0.470 -2.149 -1.242 453 HD23 LEU 56 2HD2 LEU 56 -0.150 -3.156 0.169 454 H ARG 57 H ARG 57 2.571 -1.223 4.244 455 HA ARG 57 HA ARG 57 4.859 -2.834 4.095 456 HB2 ARG 57 2HB ARG 57 3.993 -1.148 6.454 457 HB3 ARG 57 3HB ARG 57 5.623 -1.720 6.128 458 HG2 ARG 57 2HG ARG 57 5.493 -0.393 3.956 459 HG3 ARG 57 3HG ARG 57 4.048 0.359 4.635 460 HD2 ARG 57 2HD ARG 57 5.875 1.799 5.131 461 HD3 ARG 57 3HD ARG 57 5.438 0.993 6.639 462 HE ARG 57 HE ARG 57 7.773 0.319 4.964 463 HH11 ARG 57 1HH1 ARG 57 6.193 0.379 8.024 464 HH12 ARG 57 2HH1 ARG 57 7.562 -0.263 8.861 465 HH21 ARG 57 1HH2 ARG 57 9.516 -0.507 6.046 466 HH22 ARG 57 2HH2 ARG 57 9.417 -0.775 7.755 467 H ALA 58 H ALA 58 2.308 -2.826 6.589 468 HA ALA 58 HA ALA 58 3.318 -4.881 8.188 469 HB1 ALA 58 3HB ALA 58 1.065 -5.064 9.100 470 HB2 ALA 58 1HB ALA 58 0.422 -4.157 7.731 471 HB3 ALA 58 2HB ALA 58 1.511 -3.372 8.874 472 H TYR 59 H TYR 59 0.849 -5.128 5.600 473 HA TYR 59 HA TYR 59 0.471 -7.895 5.707 474 HB2 TYR 59 2HB TYR 59 -1.074 -6.531 4.469 475 HB3 TYR 59 3HB TYR 59 0.200 -5.949 3.403 476 HD1 TYR 59 HD2 TYR 59 -1.893 -8.879 4.256 477 HD2 TYR 59 HD1 TYR 59 0.881 -7.211 1.486 478 HE1 TYR 59 HE2 TYR 59 -2.394 -10.688 2.667 479 HE2 TYR 59 HE1 TYR 59 0.390 -9.017 -0.103 480 HH TYR 59 HH TYR 59 -2.243 -11.170 0.306 481 H GLN 60 H GLN 60 2.540 -6.089 3.426 482 HA GLN 60 HA GLN 60 3.539 -8.291 2.034 483 HB2 GLN 60 2HB GLN 60 3.666 -5.735 1.549 484 HB3 GLN 60 3HB GLN 60 5.153 -5.786 2.475 485 HG2 GLN 60 2HG GLN 60 4.663 -7.521 0.060 486 HG3 GLN 60 3HG GLN 60 5.379 -5.916 -0.036 487 HE21 GLN 60 1HE2 GLN 60 6.878 -6.221 2.452 488 HE22 GLN 60 2HE2 GLN 60 8.156 -7.321 2.102 489 H ASP 61 H ASP 61 4.587 -6.886 5.076 490 HA ASP 61 HA ASP 61 7.075 -8.337 5.186 491 HB2 ASP 61 2HB ASP 61 6.693 -6.117 6.280 492 HB3 ASP 61 3HB ASP 61 5.612 -6.909 7.421 493 H GLN 62 H GLN 62 3.879 -8.677 6.736 494 HA GLN 62 HA GLN 62 4.679 -10.795 8.468 495 HB2 GLN 62 2HB GLN 62 2.330 -10.990 9.049 496 HB3 GLN 62 3HB GLN 62 2.800 -9.298 8.990 497 HG2 GLN 62 2HG GLN 62 1.804 -9.171 6.705 498 HG3 GLN 62 3HG GLN 62 1.222 -10.818 6.918 499 HE21 GLN 62 1HE2 GLN 62 1.321 -8.427 9.474 500 HE22 GLN 62 2HE2 GLN 62 -0.386 -8.260 9.630 501 H ILE 63 H ILE 63 3.289 -10.753 5.224 502 HA ILE 63 HA ILE 63 2.438 -13.458 5.141 503 HB ILE 63 HB ILE 63 2.418 -13.248 2.703 504 HG12 ILE 63 2HG1 ILE 63 3.778 -10.570 3.153 505 HG13 ILE 63 3HG1 ILE 63 4.530 -11.989 2.433 506 HG21 ILE 63 1HG2 ILE 63 1.403 -10.784 4.117 507 HG22 ILE 63 2HG2 ILE 63 0.558 -12.321 3.952 508 HG23 ILE 63 3HG2 ILE 63 0.880 -11.337 2.526 509 HD11 ILE 63 3HD1 ILE 63 3.890 -10.392 0.737 510 HD12 ILE 63 1HD1 ILE 63 2.218 -10.436 1.290 511 HD13 ILE 63 2HD1 ILE 63 2.946 -11.871 0.571 512 H SER 64 H SER 64 5.558 -12.095 5.094 513 HA SER 64 HA SER 64 7.645 -12.989 5.024 514 HB2 SER 64 2HB SER 64 6.753 -14.962 6.197 515 HB3 SER 64 3HB SER 64 6.280 -15.669 4.654 516 HG SER 64 HG SER 64 8.261 -16.519 5.271 517 HA PRO 65 HA PRO 65 7.425 -12.838 0.443 518 HB2 PRO 65 2HB PRO 65 9.044 -10.736 0.085 519 HB3 PRO 65 3HB PRO 65 7.385 -10.529 0.657 520 HG2 PRO 65 2HG PRO 65 9.935 -10.545 2.237 521 HG3 PRO 65 3HG PRO 65 8.556 -9.433 2.353 522 HD2 PRO 65 2HD PRO 65 8.935 -11.570 4.036 523 HD3 PRO 65 3HD PRO 65 7.343 -10.883 3.658 524 H VAL 66 H VAL 66 9.370 -12.518 -1.186 525 HA VAL 66 HA VAL 66 11.403 -14.485 -0.467 526 HB VAL 66 HB VAL 66 12.048 -14.360 -2.883 527 HG11 VAL 66 1HG1 VAL 66 9.138 -14.943 -2.318 528 HG12 VAL 66 2HG1 VAL 66 10.489 -16.057 -2.118 529 HG13 VAL 66 3HG1 VAL 66 10.039 -15.500 -3.728 530 HG21 VAL 66 3HG2 VAL 66 10.548 -13.206 -4.458 531 HG22 VAL 66 1HG2 VAL 66 11.340 -12.067 -3.367 532 HG23 VAL 66 2HG2 VAL 66 9.656 -12.519 -3.101 533 HA PRO 67 HA PRO 67 14.380 -11.158 0.283 534 HB2 PRO 67 2HB PRO 67 16.324 -13.310 0.718 535 HB3 PRO 67 3HB PRO 67 15.697 -12.128 1.869 536 HG2 PRO 67 2HG PRO 67 15.069 -14.764 1.991 537 HG3 PRO 67 3HG PRO 67 13.951 -13.488 2.511 538 HD2 PRO 67 2HD PRO 67 13.996 -15.040 -0.065 539 HD3 PRO 67 3HD PRO 67 12.611 -14.587 0.955 540 H GLY 68 H GLY 68 14.018 -11.113 -2.253 541 HA2 GLY 68 2HA GLY 68 15.132 -10.681 -4.245 542 HA3 GLY 68 3HA GLY 68 16.613 -11.281 -3.519 543 H ALA 69 H ALA 69 16.281 -13.798 -2.953 544 HA ALA 69 HA ALA 69 15.807 -15.108 -5.509 545 HB1 ALA 69 3HB ALA 69 17.827 -15.627 -4.213 546 HB2 ALA 69 1HB ALA 69 16.828 -17.060 -4.462 547 HB3 ALA 69 2HB ALA 69 16.823 -16.242 -2.899 548 HA PRO 70 HA PRO 70 11.754 -16.665 -4.606 549 HB2 PRO 70 2HB PRO 70 11.833 -19.117 -5.847 550 HB3 PRO 70 3HB PRO 70 11.639 -17.583 -6.703 551 HG2 PRO 70 2HG PRO 70 14.123 -19.214 -6.276 552 HG3 PRO 70 3HG PRO 70 13.560 -18.395 -7.747 553 HD2 PRO 70 2HD PRO 70 15.476 -17.329 -6.185 554 HD3 PRO 70 3HD PRO 70 14.282 -16.312 -7.015 555 H LYS 71 H LYS 71 12.112 -16.847 -2.313 556 HA LYS 71 HA LYS 71 13.264 -19.068 -1.028 557 HB2 LYS 71 2HB LYS 71 12.897 -16.929 0.105 558 HB3 LYS 71 3HB LYS 71 11.156 -17.147 -0.009 559 HG2 LYS 71 2HG LYS 71 11.288 -19.090 1.465 560 HG3 LYS 71 3HG LYS 71 13.042 -18.918 1.548 561 HD2 LYS 71 2HD LYS 71 12.051 -17.965 3.540 562 HD3 LYS 71 3HD LYS 71 12.740 -16.671 2.560 563 HE2 LYS 71 2HE LYS 71 10.483 -16.192 1.666 564 HE3 LYS 71 3HE LYS 71 9.822 -17.447 2.713 565 HZ1 LYS 71 3HZ LYS 71 11.168 -14.947 3.579 566 HZ2 LYS 71 1HZ LYS 71 10.676 -16.183 4.628 567 HZ3 LYS 71 2HZ LYS 71 9.528 -15.322 3.736 568 H ALA 72 H ALA 72 9.790 -18.303 -1.383 569 HA ALA 72 HA ALA 72 8.926 -20.871 -2.067 570 HB1 ALA 72 3HB ALA 72 7.933 -21.666 0.035 571 HB2 ALA 72 1HB ALA 72 8.640 -20.295 0.893 572 HB3 ALA 72 2HB ALA 72 9.684 -21.521 0.176 573 HA PRO 73 HA PRO 73 5.235 -18.429 -2.805 574 HB2 PRO 73 2HB PRO 73 3.360 -20.454 -2.800 575 HB3 PRO 73 3HB PRO 73 4.390 -20.057 -4.179 576 HG2 PRO 73 2HG PRO 73 4.728 -22.208 -2.120 577 HG3 PRO 73 3HG PRO 73 4.990 -22.280 -3.874 578 HD2 PRO 73 2HD PRO 73 7.046 -22.045 -2.150 579 HD3 PRO 73 3HD PRO 73 7.065 -21.240 -3.733 580 H ALA 74 H ALA 74 4.704 -17.170 -1.088 581 HA ALA 74 HA ALA 74 4.004 -18.403 1.474 582 HB1 ALA 74 3HB ALA 74 4.336 -16.181 2.414 583 HB2 ALA 74 1HB ALA 74 4.564 -15.520 0.791 584 HB3 ALA 74 2HB ALA 74 5.727 -16.674 1.446 585 H ALA 75 H ALA 75 2.430 -16.828 2.775 586 HA ALA 75 HA ALA 75 0.298 -16.189 3.199 587 HB1 ALA 75 3HB ALA 75 0.068 -15.672 0.232 588 HB2 ALA 75 1HB ALA 75 0.648 -14.516 1.431 589 HB3 ALA 75 2HB ALA 75 -1.022 -15.079 1.484 Start of MODEL 8 1 H1 MET 1 1H MET 1 -27.967 -48.490 -9.200 2 H2 MET 1 2H MET 1 -29.412 -49.058 -9.862 3 H3 MET 1 3H MET 1 -29.158 -47.397 -9.699 4 HA MET 1 HA MET 1 -27.612 -49.222 -11.444 5 HB2 MET 1 2HB MET 1 -29.686 -47.127 -12.157 6 HB3 MET 1 3HB MET 1 -28.696 -48.001 -13.319 7 HG2 MET 1 2HG MET 1 -29.699 -50.128 -12.419 8 HG3 MET 1 3HG MET 1 -30.827 -49.120 -11.511 9 HE1 MET 1 3HE MET 1 -32.568 -47.432 -12.705 10 HE2 MET 1 1HE MET 1 -32.683 -47.248 -14.457 11 HE3 MET 1 2HE MET 1 -31.235 -46.709 -13.607 12 H GLY 2 H GLY 2 -27.057 -47.252 -13.376 13 HA2 GLY 2 2HA GLY 2 -24.615 -46.315 -12.563 14 HA3 GLY 2 3HA GLY 2 -25.525 -45.644 -13.898 15 H HIS 3 H HIS 3 -24.157 -45.039 -10.906 16 HA HIS 3 HA HIS 3 -25.149 -42.269 -11.012 17 HB2 HIS 3 2HB HIS 3 -25.171 -42.193 -8.518 18 HB3 HIS 3 3HB HIS 3 -26.376 -43.291 -9.174 19 HD1 HIS 3 HD1 HIS 3 -25.981 -45.844 -8.803 20 HD2 HIS 3 HD2 HIS 3 -23.218 -43.385 -6.912 21 HE1 HIS 3 HE1 HIS 3 -24.778 -47.315 -7.173 22 HE2 HIS 3 HE2 HIS 3 -23.252 -45.774 -5.917 23 H HIS 4 H HIS 4 -22.880 -43.233 -12.186 24 HA HIS 4 HA HIS 4 -20.604 -43.282 -10.387 25 HB2 HIS 4 2HB HIS 4 -20.961 -44.913 -12.239 26 HB3 HIS 4 3HB HIS 4 -20.775 -43.606 -13.397 27 HD1 HIS 4 HD1 HIS 4 -18.456 -43.121 -14.173 28 HD2 HIS 4 HD2 HIS 4 -18.514 -45.507 -10.774 29 HE1 HIS 4 HE1 HIS 4 -16.098 -43.910 -13.868 30 HE2 HIS 4 HE2 HIS 4 -16.207 -45.519 -11.939 31 H HIS 5 H HIS 5 -21.947 -40.660 -10.778 32 HA HIS 5 HA HIS 5 -20.515 -39.048 -12.619 33 HB2 HIS 5 2HB HIS 5 -21.573 -37.145 -11.543 34 HB3 HIS 5 3HB HIS 5 -22.744 -38.443 -11.730 35 HD1 HIS 5 HD1 HIS 5 -23.680 -39.518 -9.576 36 HD2 HIS 5 HD2 HIS 5 -20.898 -36.509 -8.877 37 HE1 HIS 5 HE1 HIS 5 -23.866 -38.985 -7.135 38 HE2 HIS 5 HE2 HIS 5 -22.269 -37.081 -6.759 39 H HIS 6 H HIS 6 -18.729 -37.741 -12.406 40 HA HIS 6 HA HIS 6 -17.373 -37.635 -9.788 41 HB2 HIS 6 2HB HIS 6 -16.141 -38.302 -12.462 42 HB3 HIS 6 3HB HIS 6 -15.184 -37.775 -11.084 43 HD1 HIS 6 HD1 HIS 6 -17.049 -40.687 -12.440 44 HD2 HIS 6 HD2 HIS 6 -14.947 -39.653 -9.007 45 HE1 HIS 6 HE1 HIS 6 -16.664 -42.839 -11.205 46 HE2 HIS 6 HE2 HIS 6 -15.382 -42.196 -9.144 47 H HIS 7 H HIS 7 -15.683 -35.951 -9.689 48 HA HIS 7 HA HIS 7 -15.526 -33.897 -11.661 49 HB2 HIS 7 2HB HIS 7 -17.657 -33.232 -10.612 50 HB3 HIS 7 3HB HIS 7 -16.879 -33.214 -9.033 51 HD1 HIS 7 HD1 HIS 7 -15.325 -31.223 -8.496 52 HD2 HIS 7 HD2 HIS 7 -17.079 -31.018 -12.258 53 HE1 HIS 7 HE1 HIS 7 -14.887 -28.892 -9.314 54 HE2 HIS 7 HE2 HIS 7 -15.994 -28.777 -11.564 55 H HIS 8 H HIS 8 -13.554 -32.955 -11.510 56 HA HIS 8 HA HIS 8 -12.183 -32.710 -8.966 57 HB2 HIS 8 2HB HIS 8 -10.200 -34.020 -9.700 58 HB3 HIS 8 3HB HIS 8 -11.637 -35.012 -9.490 59 HD1 HIS 8 HD1 HIS 8 -12.685 -36.046 -11.634 60 HD2 HIS 8 HD2 HIS 8 -9.184 -33.913 -12.298 61 HE1 HIS 8 HE1 HIS 8 -11.966 -36.642 -13.960 62 HE2 HIS 8 HE2 HIS 8 -9.751 -35.497 -14.258 63 H SER 9 H SER 9 -9.763 -31.946 -9.502 64 HA SER 9 HA SER 9 -10.025 -29.509 -10.972 65 HB2 SER 9 2HB SER 9 -7.720 -29.081 -10.348 66 HB3 SER 9 3HB SER 9 -8.558 -29.779 -8.965 67 HG SER 9 HG SER 9 -6.336 -30.616 -9.901 68 H HIS 10 H HIS 10 -7.821 -29.039 -12.416 69 HA HIS 10 HA HIS 10 -7.962 -31.062 -14.569 70 HB2 HIS 10 2HB HIS 10 -7.683 -28.060 -14.747 71 HB3 HIS 10 3HB HIS 10 -7.445 -29.139 -16.120 72 HD1 HIS 10 HD1 HIS 10 -10.011 -27.268 -14.387 73 HD2 HIS 10 HD2 HIS 10 -9.870 -30.716 -16.704 74 HE1 HIS 10 HE1 HIS 10 -12.376 -27.688 -15.116 75 HE2 HIS 10 HE2 HIS 10 -12.222 -29.655 -16.670 76 H MET 11 H MET 11 -5.728 -28.402 -13.634 77 HA MET 11 HA MET 11 -3.462 -30.218 -13.886 78 HB2 MET 11 2HB MET 11 -3.896 -29.557 -16.199 79 HB3 MET 11 3HB MET 11 -3.843 -27.860 -15.746 80 HG2 MET 11 2HG MET 11 -1.465 -28.146 -15.109 81 HG3 MET 11 3HG MET 11 -1.548 -29.814 -15.681 82 HE1 MET 11 3HE MET 11 -2.015 -30.477 -18.238 83 HE2 MET 11 1HE MET 11 -2.307 -29.290 -19.510 84 HE3 MET 11 2HE MET 11 -3.481 -29.497 -18.212 85 H SER 12 H SER 12 -1.864 -29.671 -12.523 86 HA SER 12 HA SER 12 -1.941 -27.100 -11.148 87 HB2 SER 12 2HB SER 12 -0.068 -29.465 -10.803 88 HB3 SER 12 3HB SER 12 -0.114 -28.040 -9.764 89 HG SER 12 HG SER 12 -1.322 -29.871 -8.960 90 H THR 13 H THR 13 -1.238 -25.503 -12.481 91 HA THR 13 HA THR 13 0.566 -25.794 -14.604 92 HB THR 13 HB THR 13 0.628 -23.334 -14.702 93 HG1 THR 13 HG1 THR 13 0.526 -23.219 -12.246 94 HG21 THR 13 3HG2 THR 13 -1.776 -22.946 -14.997 95 HG22 THR 13 1HG2 THR 13 -2.133 -24.419 -14.095 96 HG23 THR 13 2HG2 THR 13 -1.307 -24.515 -15.650 97 HA PRO 14 HA PRO 14 4.550 -25.579 -12.434 98 HB2 PRO 14 2HB PRO 14 5.589 -25.265 -15.189 99 HB3 PRO 14 3HB PRO 14 5.985 -26.482 -13.974 100 HG2 PRO 14 2HG PRO 14 4.520 -27.092 -16.141 101 HG3 PRO 14 3HG PRO 14 4.209 -27.846 -14.565 102 HD2 PRO 14 2HD PRO 14 2.737 -25.609 -15.921 103 HD3 PRO 14 3HD PRO 14 2.094 -26.992 -15.009 104 H LEU 15 H LEU 15 4.012 -23.495 -11.578 105 HA LEU 15 HA LEU 15 3.856 -21.132 -13.076 106 HB2 LEU 15 2HB LEU 15 4.102 -19.979 -10.860 107 HB3 LEU 15 3HB LEU 15 2.819 -21.164 -10.968 108 HG LEU 15 HG LEU 15 4.505 -22.792 -9.840 109 HD11 LEU 15 1HD1 LEU 15 5.776 -20.150 -9.115 110 HD12 LEU 15 2HD1 LEU 15 6.510 -21.443 -10.064 111 HD13 LEU 15 3HD1 LEU 15 6.137 -21.703 -8.361 112 HD21 LEU 15 3HD2 LEU 15 2.484 -21.949 -8.759 113 HD22 LEU 15 1HD2 LEU 15 3.336 -20.480 -8.286 114 HD23 LEU 15 2HD2 LEU 15 3.823 -22.038 -7.616 115 H THR 16 H THR 16 5.227 -19.405 -13.415 116 HA THR 16 HA THR 16 8.052 -19.703 -12.616 117 HB THR 16 HB THR 16 7.916 -20.377 -14.974 118 HG1 THR 16 HG1 THR 16 9.178 -18.182 -15.643 119 HG21 THR 16 3HG2 THR 16 7.249 -18.766 -16.711 120 HG22 THR 16 1HG2 THR 16 6.779 -17.612 -15.463 121 HG23 THR 16 2HG2 THR 16 5.904 -19.135 -15.631 122 H GLY 17 H GLY 17 9.274 -17.598 -12.843 123 HA2 GLY 17 2HA GLY 17 8.700 -15.091 -13.145 124 HA3 GLY 17 3HA GLY 17 7.535 -15.415 -11.872 125 H LYS 18 H LYS 18 8.749 -13.656 -10.768 126 HA LYS 18 HA LYS 18 10.884 -14.803 -9.121 127 HB2 LYS 18 2HB LYS 18 12.325 -12.844 -9.373 128 HB3 LYS 18 3HB LYS 18 12.068 -13.629 -10.925 129 HG2 LYS 18 2HG LYS 18 10.523 -11.929 -11.611 130 HG3 LYS 18 3HG LYS 18 10.527 -11.202 -10.003 131 HD2 LYS 18 2HD LYS 18 12.933 -11.386 -11.829 132 HD3 LYS 18 3HD LYS 18 11.912 -9.959 -11.642 133 HE2 LYS 18 2HE LYS 18 13.497 -11.279 -9.430 134 HE3 LYS 18 3HE LYS 18 13.975 -9.818 -10.295 135 HZ1 LYS 18 3HZ LYS 18 12.947 -9.288 -8.181 136 HZ2 LYS 18 1HZ LYS 18 11.538 -10.115 -8.613 137 HZ3 LYS 18 2HZ LYS 18 11.992 -8.715 -9.446 138 HA PRO 19 HA PRO 19 8.785 -12.289 -6.020 139 HB2 PRO 19 2HB PRO 19 10.425 -12.703 -3.940 140 HB3 PRO 19 3HB PRO 19 9.392 -13.995 -4.571 141 HG2 PRO 19 2HG PRO 19 12.320 -13.527 -5.005 142 HG3 PRO 19 3HG PRO 19 11.457 -15.054 -4.742 143 HD2 PRO 19 2HD PRO 19 12.245 -14.095 -7.223 144 HD3 PRO 19 3HD PRO 19 10.948 -15.278 -6.963 145 H GLY 20 H GLY 20 10.150 -10.923 -3.978 146 HA2 GLY 20 2HA GLY 20 12.365 -9.451 -4.397 147 HA3 GLY 20 3HA GLY 20 11.198 -8.635 -5.424 148 H ALA 21 H ALA 21 9.777 -7.244 -4.529 149 HA ALA 21 HA ALA 21 8.909 -7.111 -1.877 150 HB1 ALA 21 3HB ALA 21 11.263 -6.738 -1.314 151 HB2 ALA 21 1HB ALA 21 10.295 -5.311 -0.949 152 HB3 ALA 21 2HB ALA 21 11.311 -5.342 -2.392 153 H LEU 22 H LEU 22 8.561 -4.496 -1.349 154 HA LEU 22 HA LEU 22 7.158 -3.403 -3.701 155 HB2 LEU 22 2HB LEU 22 6.830 -2.760 -0.759 156 HB3 LEU 22 3HB LEU 22 5.900 -2.042 -2.058 157 HG LEU 22 HG LEU 22 5.842 -4.960 -1.260 158 HD11 LEU 22 1HD1 LEU 22 3.580 -4.475 -0.470 159 HD12 LEU 22 2HD1 LEU 22 3.793 -2.773 -0.883 160 HD13 LEU 22 3HD1 LEU 22 4.777 -3.503 0.387 161 HD21 LEU 22 3HD2 LEU 22 5.454 -4.692 -3.649 162 HD22 LEU 22 1HD2 LEU 22 4.234 -3.458 -3.330 163 HD23 LEU 22 2HD2 LEU 22 3.956 -5.123 -2.825 164 HA PRO 23 HA PRO 23 9.921 0.149 -3.834 165 HB2 PRO 23 2HB PRO 23 8.167 2.218 -4.275 166 HB3 PRO 23 3HB PRO 23 8.695 1.093 -5.533 167 HG2 PRO 23 2HG PRO 23 6.170 1.084 -3.918 168 HG3 PRO 23 3HG PRO 23 6.387 0.778 -5.653 169 HD2 PRO 23 2HD PRO 23 6.055 -1.231 -3.881 170 HD3 PRO 23 3HD PRO 23 7.104 -1.402 -5.304 171 H ALA 24 H ALA 24 10.876 1.326 -2.228 172 HA ALA 24 HA ALA 24 9.704 1.443 0.358 173 HB1 ALA 24 3HB ALA 24 11.739 2.590 1.043 174 HB2 ALA 24 1HB ALA 24 12.179 2.849 -0.647 175 HB3 ALA 24 2HB ALA 24 12.116 1.213 0.008 176 H ASN 25 H ASN 25 9.836 3.734 -2.267 177 HA ASN 25 HA ASN 25 9.022 5.967 -0.584 178 HB2 ASN 25 2HB ASN 25 9.572 5.737 -3.546 179 HB3 ASN 25 3HB ASN 25 8.972 7.213 -2.795 180 HD21 ASN 25 1HD2 ASN 25 10.292 8.300 -1.301 181 HD22 ASN 25 2HD2 ASN 25 12.002 8.066 -1.286 182 H LEU 26 H LEU 26 7.121 4.090 -0.289 183 HA LEU 26 HA LEU 26 4.876 4.276 -1.974 184 HB2 LEU 26 2HB LEU 26 4.962 3.900 1.027 185 HB3 LEU 26 3HB LEU 26 3.570 3.581 0.008 186 HG LEU 26 HG LEU 26 6.212 2.114 -0.164 187 HD11 LEU 26 1HD1 LEU 26 5.027 0.231 0.831 188 HD12 LEU 26 2HD1 LEU 26 3.574 1.219 1.001 189 HD13 LEU 26 3HD1 LEU 26 5.027 1.622 1.916 190 HD21 LEU 26 3HD2 LEU 26 3.574 1.625 -1.554 191 HD22 LEU 26 1HD2 LEU 26 4.978 0.559 -1.618 192 HD23 LEU 26 2HD2 LEU 26 5.070 2.178 -2.308 193 H ASP 27 H ASP 27 6.156 6.450 0.420 194 HA ASP 27 HA ASP 27 3.912 8.155 0.721 195 HB2 ASP 27 2HB ASP 27 5.606 9.785 1.584 196 HB3 ASP 27 3HB ASP 27 5.693 8.197 2.343 197 H ASP 28 H ASP 28 6.399 7.918 -1.718 198 HA ASP 28 HA ASP 28 5.991 10.528 -2.845 199 HB2 ASP 28 2HB ASP 28 8.154 9.379 -3.041 200 HB3 ASP 28 3HB ASP 28 7.399 8.092 -3.978 201 H MET 29 H MET 29 4.839 7.259 -3.604 202 HA MET 29 HA MET 29 3.692 7.939 -6.117 203 HB2 MET 29 2HB MET 29 3.106 5.602 -4.287 204 HB3 MET 29 3HB MET 29 2.495 5.760 -5.929 205 HG2 MET 29 2HG MET 29 4.906 5.894 -6.679 206 HG3 MET 29 3HG MET 29 5.347 5.411 -5.041 207 HE1 MET 29 3HE MET 29 2.806 3.443 -4.426 208 HE2 MET 29 1HE MET 29 4.462 3.108 -3.922 209 HE3 MET 29 2HE MET 29 3.547 1.889 -4.810 210 H LYS 30 H LYS 30 1.436 7.914 -6.683 211 HA LYS 30 HA LYS 30 -0.114 9.708 -5.112 212 HB2 LYS 30 2HB LYS 30 -0.799 8.084 -7.575 213 HB3 LYS 30 3HB LYS 30 -1.848 9.318 -6.886 214 HG2 LYS 30 2HG LYS 30 -0.255 11.042 -7.362 215 HG3 LYS 30 3HG LYS 30 0.963 9.859 -7.832 216 HD2 LYS 30 2HD LYS 30 -1.666 10.263 -9.269 217 HD3 LYS 30 3HD LYS 30 -0.141 11.002 -9.759 218 HE2 LYS 30 2HE LYS 30 0.829 8.716 -9.967 219 HE3 LYS 30 3HE LYS 30 -0.769 8.051 -9.633 220 HZ1 LYS 30 3HZ LYS 30 -0.244 8.167 -12.014 221 HZ2 LYS 30 1HZ LYS 30 -0.131 9.851 -11.904 222 HZ3 LYS 30 2HZ LYS 30 -1.607 9.078 -11.612 223 H VAL 31 H VAL 31 -2.255 9.373 -4.277 224 HA VAL 31 HA VAL 31 -2.598 7.214 -2.558 225 HB VAL 31 HB VAL 31 -4.823 8.886 -3.761 226 HG11 VAL 31 1HG1 VAL 31 -6.019 8.409 -1.674 227 HG12 VAL 31 2HG1 VAL 31 -4.684 7.392 -1.135 228 HG13 VAL 31 3HG1 VAL 31 -5.635 6.924 -2.544 229 HG21 VAL 31 3HG2 VAL 31 -4.526 10.378 -1.835 230 HG22 VAL 31 1HG2 VAL 31 -3.083 10.326 -2.847 231 HG23 VAL 31 2HG2 VAL 31 -3.123 9.439 -1.323 232 H ALA 32 H ALA 32 -3.929 7.699 -5.814 233 HA ALA 32 HA ALA 32 -5.492 5.374 -5.993 234 HB1 ALA 32 3HB ALA 32 -4.066 6.850 -8.212 235 HB2 ALA 32 1HB ALA 32 -5.663 7.235 -7.570 236 HB3 ALA 32 2HB ALA 32 -5.397 5.709 -8.415 237 H GLU 33 H GLU 33 -2.036 5.865 -6.529 238 HA GLU 33 HA GLU 33 -1.484 3.324 -7.677 239 HB2 GLU 33 2HB GLU 33 0.333 5.169 -6.100 240 HB3 GLU 33 3HB GLU 33 0.872 3.782 -7.034 241 HG2 GLU 33 2HG GLU 33 -0.434 6.278 -8.108 242 HG3 GLU 33 3HG GLU 33 1.260 5.814 -8.270 243 H LEU 34 H LEU 34 -1.328 4.547 -4.353 244 HA LEU 34 HA LEU 34 -0.446 2.217 -3.084 245 HB2 LEU 34 2HB LEU 34 -2.371 4.267 -1.978 246 HB3 LEU 34 3HB LEU 34 -1.356 3.179 -1.049 247 HG LEU 34 HG LEU 34 -0.359 5.421 -2.819 248 HD11 LEU 34 1HD1 LEU 34 0.293 6.499 -0.717 249 HD12 LEU 34 2HD1 LEU 34 -0.496 5.201 0.185 250 HD13 LEU 34 3HD1 LEU 34 -1.452 6.278 -0.836 251 HD21 LEU 34 3HD2 LEU 34 1.218 3.558 -2.736 252 HD22 LEU 34 1HD2 LEU 34 1.161 3.577 -0.972 253 HD23 LEU 34 2HD2 LEU 34 1.836 4.951 -1.849 254 H LYS 35 H LYS 35 -3.782 3.350 -3.658 255 HA LYS 35 HA LYS 35 -5.094 1.088 -2.605 256 HB2 LYS 35 2HB LYS 35 -6.002 3.060 -4.715 257 HB3 LYS 35 3HB LYS 35 -7.055 1.876 -3.945 258 HG2 LYS 35 2HG LYS 35 -6.562 2.911 -1.753 259 HG3 LYS 35 3HG LYS 35 -5.595 4.135 -2.577 260 HD2 LYS 35 2HD LYS 35 -7.571 4.890 -3.803 261 HD3 LYS 35 3HD LYS 35 -8.546 3.640 -3.025 262 HE2 LYS 35 2HE LYS 35 -8.073 4.660 -0.830 263 HE3 LYS 35 3HE LYS 35 -7.138 5.922 -1.630 264 HZ1 LYS 35 3HZ LYS 35 -9.169 6.571 -2.819 265 HZ2 LYS 35 1HZ LYS 35 -9.335 6.713 -1.140 266 HZ3 LYS 35 2HZ LYS 35 -10.043 5.413 -1.955 267 H GLN 36 H GLN 36 -3.674 1.675 -5.766 268 HA GLN 36 HA GLN 36 -4.748 -0.579 -7.099 269 HB2 GLN 36 2HB GLN 36 -3.635 1.269 -8.285 270 HB3 GLN 36 3HB GLN 36 -2.104 0.834 -7.542 271 HG2 GLN 36 2HG GLN 36 -2.215 0.053 -9.838 272 HG3 GLN 36 3HG GLN 36 -2.122 -1.305 -8.719 273 HE21 GLN 36 1HE2 GLN 36 -2.994 -2.715 -10.226 274 HE22 GLN 36 2HE2 GLN 36 -4.663 -2.693 -10.661 275 H GLU 37 H GLU 37 -1.666 -0.137 -5.365 276 HA GLU 37 HA GLU 37 -0.759 -2.794 -5.617 277 HB2 GLU 37 2HB GLU 37 -0.134 -0.811 -3.417 278 HB3 GLU 37 3HB GLU 37 0.813 -2.234 -3.828 279 HG2 GLU 37 2HG GLU 37 0.354 0.132 -5.643 280 HG3 GLU 37 3HG GLU 37 1.801 -0.148 -4.677 281 H LEU 38 H LEU 38 -3.112 -1.385 -3.491 282 HA LEU 38 HA LEU 38 -3.186 -3.535 -1.589 283 HB2 LEU 38 2HB LEU 38 -5.197 -1.381 -2.261 284 HB3 LEU 38 3HB LEU 38 -5.408 -2.540 -0.962 285 HG LEU 38 HG LEU 38 -3.160 -0.518 -1.122 286 HD11 LEU 38 1HD1 LEU 38 -5.677 -0.552 0.542 287 HD12 LEU 38 2HD1 LEU 38 -5.292 0.579 -0.755 288 HD13 LEU 38 3HD1 LEU 38 -4.343 0.586 0.731 289 HD21 LEU 38 3HD2 LEU 38 -2.727 -1.176 1.208 290 HD22 LEU 38 1HD2 LEU 38 -2.508 -2.528 0.099 291 HD23 LEU 38 2HD2 LEU 38 -3.968 -2.425 1.085 292 H LYS 39 H LYS 39 -5.399 -2.602 -4.256 293 HA LYS 39 HA LYS 39 -7.158 -4.756 -3.993 294 HB2 LYS 39 2HB LYS 39 -8.031 -4.167 -6.144 295 HB3 LYS 39 3HB LYS 39 -7.545 -2.673 -5.354 296 HG2 LYS 39 2HG LYS 39 -5.467 -2.667 -6.670 297 HG3 LYS 39 3HG LYS 39 -5.982 -4.148 -7.473 298 HD2 LYS 39 2HD LYS 39 -6.459 -2.313 -8.932 299 HD3 LYS 39 3HD LYS 39 -7.993 -2.914 -8.306 300 HE2 LYS 39 2HE LYS 39 -8.202 -1.081 -6.810 301 HE3 LYS 39 3HE LYS 39 -6.534 -0.580 -7.075 302 HZ1 LYS 39 3HZ LYS 39 -7.169 -0.133 -9.424 303 HZ2 LYS 39 1HZ LYS 39 -7.940 0.866 -8.296 304 HZ3 LYS 39 2HZ LYS 39 -8.782 -0.416 -9.002 305 H LEU 40 H LEU 40 -4.119 -4.539 -5.792 306 HA LEU 40 HA LEU 40 -4.393 -6.952 -7.256 307 HB2 LEU 40 2HB LEU 40 -1.878 -5.525 -6.372 308 HB3 LEU 40 3HB LEU 40 -1.947 -6.795 -7.579 309 HG LEU 40 HG LEU 40 -3.223 -4.062 -7.810 310 HD11 LEU 40 1HD1 LEU 40 -0.844 -5.257 -9.237 311 HD12 LEU 40 2HD1 LEU 40 -0.799 -3.979 -8.021 312 HD13 LEU 40 3HD1 LEU 40 -1.572 -3.687 -9.578 313 HD21 LEU 40 3HD2 LEU 40 -3.146 -6.342 -9.790 314 HD22 LEU 40 1HD2 LEU 40 -3.744 -4.716 -10.116 315 HD23 LEU 40 2HD2 LEU 40 -4.573 -5.741 -8.946 316 H ARG 41 H ARG 41 -3.591 -6.364 -3.949 317 HA ARG 41 HA ARG 41 -2.606 -9.139 -3.637 318 HB2 ARG 41 2HB ARG 41 -2.095 -6.769 -1.824 319 HB3 ARG 41 3HB ARG 41 -1.395 -8.376 -1.670 320 HG2 ARG 41 2HG ARG 41 -0.216 -8.063 -3.804 321 HG3 ARG 41 3HG ARG 41 -0.918 -6.451 -3.949 322 HD2 ARG 41 2HD ARG 41 0.997 -7.414 -1.816 323 HD3 ARG 41 3HD ARG 41 1.335 -6.256 -3.104 324 HE ARG 41 HE ARG 41 -0.629 -5.005 -1.879 325 HH11 ARG 41 1HH1 ARG 41 2.105 -6.612 -0.543 326 HH12 ARG 41 2HH1 ARG 41 2.110 -5.654 0.892 327 HH21 ARG 41 1HH2 ARG 41 -0.636 -3.807 -0.013 328 HH22 ARG 41 2HH2 ARG 41 0.560 -4.096 1.196 329 H SER 42 H SER 42 -5.425 -7.811 -3.474 330 HA SER 42 HA SER 42 -7.368 -8.137 -2.343 331 HB2 SER 42 2HB SER 42 -6.873 -10.500 -2.381 332 HB3 SER 42 3HB SER 42 -5.788 -10.348 -1.003 333 HG SER 42 HG SER 42 -7.594 -9.794 0.281 334 H LEU 43 H LEU 43 -6.902 -5.983 -1.453 335 HA LEU 43 HA LEU 43 -6.856 -6.038 1.475 336 HB2 LEU 43 2HB LEU 43 -4.960 -4.457 -0.259 337 HB3 LEU 43 3HB LEU 43 -5.288 -4.016 1.406 338 HG LEU 43 HG LEU 43 -4.216 -6.732 0.620 339 HD11 LEU 43 1HD1 LEU 43 -2.652 -4.311 1.519 340 HD12 LEU 43 2HD1 LEU 43 -2.629 -5.013 -0.098 341 HD13 LEU 43 3HD1 LEU 43 -2.011 -5.935 1.271 342 HD21 LEU 43 3HD2 LEU 43 -3.560 -6.825 2.978 343 HD22 LEU 43 1HD2 LEU 43 -5.302 -6.622 2.802 344 HD23 LEU 43 2HD2 LEU 43 -4.292 -5.245 3.247 345 HA PRO 44 HA PRO 44 -10.107 -3.032 0.944 346 HB2 PRO 44 2HB PRO 44 -10.104 -1.907 3.422 347 HB3 PRO 44 3HB PRO 44 -10.739 -3.525 3.101 348 HG2 PRO 44 2HG PRO 44 -8.064 -2.725 4.197 349 HG3 PRO 44 3HG PRO 44 -9.155 -4.013 4.744 350 HD2 PRO 44 2HD PRO 44 -6.996 -4.508 3.191 351 HD3 PRO 44 3HD PRO 44 -8.489 -5.462 3.068 352 H VAL 45 H VAL 45 -10.081 -1.110 -0.055 353 HA VAL 45 HA VAL 45 -7.741 0.647 0.227 354 HB VAL 45 HB VAL 45 -8.504 1.694 -1.861 355 HG11 VAL 45 1HG1 VAL 45 -8.171 -0.236 -3.352 356 HG12 VAL 45 2HG1 VAL 45 -8.432 -1.326 -1.990 357 HG13 VAL 45 3HG1 VAL 45 -7.039 -0.245 -2.000 358 HG21 VAL 45 3HG2 VAL 45 -10.791 -0.289 -1.756 359 HG22 VAL 45 1HG2 VAL 45 -10.421 0.793 -3.101 360 HG23 VAL 45 2HG2 VAL 45 -10.926 1.457 -1.548 361 H SER 46 H SER 46 -10.034 0.561 2.183 362 HA SER 46 HA SER 46 -11.516 3.020 1.766 363 HB2 SER 46 2HB SER 46 -11.551 1.068 4.083 364 HB3 SER 46 3HB SER 46 -12.662 2.423 3.880 365 HG SER 46 HG SER 46 -13.664 0.617 3.073 366 H GLY 47 H GLY 47 -8.495 2.389 3.094 367 HA2 GLY 47 2HA GLY 47 -8.699 4.265 5.325 368 HA3 GLY 47 3HA GLY 47 -7.283 3.333 4.876 369 H THR 48 H THR 48 -6.901 5.909 5.609 370 HA THR 48 HA THR 48 -6.839 7.718 3.361 371 HB THR 48 HB THR 48 -5.555 9.218 4.823 372 HG1 THR 48 HG1 THR 48 -5.697 7.501 7.017 373 HG21 THR 48 3HG2 THR 48 -7.196 9.465 6.653 374 HG22 THR 48 1HG2 THR 48 -7.858 7.878 6.262 375 HG23 THR 48 2HG2 THR 48 -7.985 9.197 5.098 376 H LYS 49 H LYS 49 -4.683 8.794 2.756 377 HA LYS 49 HA LYS 49 -3.146 7.040 1.306 378 HB2 LYS 49 2HB LYS 49 -3.215 9.485 0.960 379 HB3 LYS 49 3HB LYS 49 -2.236 9.713 2.401 380 HG2 LYS 49 2HG LYS 49 -0.343 8.647 1.369 381 HG3 LYS 49 3HG LYS 49 -1.316 8.158 -0.020 382 HD2 LYS 49 2HD LYS 49 -1.664 10.541 -0.581 383 HD3 LYS 49 3HD LYS 49 -0.638 10.993 0.780 384 HE2 LYS 49 2HE LYS 49 0.272 9.286 -1.541 385 HE3 LYS 49 3HE LYS 49 0.515 11.028 -1.438 386 HZ1 LYS 49 3HZ LYS 49 1.612 8.987 0.418 387 HZ2 LYS 49 1HZ LYS 49 1.773 10.657 0.620 388 HZ3 LYS 49 2HZ LYS 49 2.478 9.896 -0.713 389 H THR 50 H THR 50 -2.275 8.385 4.500 390 HA THR 50 HA THR 50 0.187 7.017 4.748 391 HB THR 50 HB THR 50 -1.645 8.103 6.906 392 HG1 THR 50 HG1 THR 50 0.659 9.139 5.571 393 HG21 THR 50 3HG2 THR 50 -0.128 6.424 7.862 394 HG22 THR 50 1HG2 THR 50 0.322 8.048 8.382 395 HG23 THR 50 2HG2 THR 50 1.249 7.237 7.120 396 H GLU 51 H GLU 51 -3.104 6.115 5.756 397 HA GLU 51 HA GLU 51 -2.393 3.744 7.135 398 HB2 GLU 51 2HB GLU 51 -4.971 4.504 5.747 399 HB3 GLU 51 3HB GLU 51 -4.781 3.092 6.779 400 HG2 GLU 51 2HG GLU 51 -4.262 4.518 8.677 401 HG3 GLU 51 3HG GLU 51 -4.376 5.949 7.653 402 H LEU 52 H LEU 52 -3.255 4.342 3.750 403 HA LEU 52 HA LEU 52 -3.254 1.707 2.806 404 HB2 LEU 52 2HB LEU 52 -2.244 4.122 1.287 405 HB3 LEU 52 3HB LEU 52 -2.889 2.640 0.605 406 HG LEU 52 HG LEU 52 -4.452 4.719 2.148 407 HD11 LEU 52 1HD1 LEU 52 -4.463 3.975 -0.775 408 HD12 LEU 52 2HD1 LEU 52 -3.867 5.480 -0.070 409 HD13 LEU 52 3HD1 LEU 52 -5.587 5.093 -0.001 410 HD21 LEU 52 3HD2 LEU 52 -6.429 3.422 1.620 411 HD22 LEU 52 1HD2 LEU 52 -5.300 2.448 2.560 412 HD23 LEU 52 2HD2 LEU 52 -5.445 2.200 0.819 413 H ILE 53 H ILE 53 -0.605 4.086 2.884 414 HA ILE 53 HA ILE 53 1.500 2.543 1.951 415 HB ILE 53 HB ILE 53 1.543 4.681 4.093 416 HG12 ILE 53 2HG1 ILE 53 2.146 4.833 1.124 417 HG13 ILE 53 3HG1 ILE 53 0.663 5.391 1.887 418 HG21 ILE 53 1HG2 ILE 53 3.853 3.525 2.527 419 HG22 ILE 53 2HG2 ILE 53 3.562 3.339 4.256 420 HG23 ILE 53 3HG2 ILE 53 3.937 4.928 3.593 421 HD11 ILE 53 3HD1 ILE 53 2.142 7.242 1.421 422 HD12 ILE 53 1HD1 ILE 53 3.421 6.488 2.374 423 HD13 ILE 53 2HD1 ILE 53 1.942 7.039 3.162 424 H GLU 54 H GLU 54 0.558 2.991 5.376 425 HA GLU 54 HA GLU 54 2.467 1.259 6.465 426 HB2 GLU 54 2HB GLU 54 0.194 2.747 7.414 427 HB3 GLU 54 3HB GLU 54 0.170 1.145 8.133 428 HG2 GLU 54 2HG GLU 54 1.340 2.718 9.554 429 HG3 GLU 54 3HG GLU 54 2.435 1.467 8.970 430 H ARG 55 H ARG 55 -0.799 0.537 5.243 431 HA ARG 55 HA ARG 55 -0.685 -2.190 6.149 432 HB2 ARG 55 2HB ARG 55 -2.816 -0.863 5.792 433 HB3 ARG 55 3HB ARG 55 -2.574 -1.093 4.062 434 HG2 ARG 55 2HG ARG 55 -2.808 -3.455 4.254 435 HG3 ARG 55 3HG ARG 55 -2.733 -3.383 6.015 436 HD2 ARG 55 2HD ARG 55 -4.859 -2.005 5.925 437 HD3 ARG 55 3HD ARG 55 -4.961 -2.440 4.217 438 HE ARG 55 HE ARG 55 -4.934 -4.820 5.052 439 HH11 ARG 55 1HH1 ARG 55 -6.131 -2.261 7.024 440 HH12 ARG 55 2HH1 ARG 55 -7.172 -3.300 7.926 441 HH21 ARG 55 1HH2 ARG 55 -6.257 -6.135 6.214 442 HH22 ARG 55 2HH2 ARG 55 -7.269 -5.473 7.448 443 H LEU 56 H LEU 56 0.232 -0.513 3.210 444 HA LEU 56 HA LEU 56 0.697 -2.767 1.573 445 HB2 LEU 56 2HB LEU 56 2.091 -0.091 1.715 446 HB3 LEU 56 3HB LEU 56 2.479 -1.305 0.510 447 HG LEU 56 HG LEU 56 -0.241 -0.018 0.833 448 HD11 LEU 56 1HD1 LEU 56 0.292 1.196 -1.227 449 HD12 LEU 56 2HD1 LEU 56 1.927 0.535 -1.196 450 HD13 LEU 56 3HD1 LEU 56 1.389 1.622 0.085 451 HD21 LEU 56 3HD2 LEU 56 -0.703 -1.040 -1.358 452 HD22 LEU 56 1HD2 LEU 56 -0.374 -2.249 -0.116 453 HD23 LEU 56 2HD2 LEU 56 0.865 -1.845 -1.303 454 H ARG 57 H ARG 57 2.820 -1.037 3.822 455 HA ARG 57 HA ARG 57 5.050 -2.756 3.664 456 HB2 ARG 57 2HB ARG 57 4.151 -1.112 6.045 457 HB3 ARG 57 3HB ARG 57 5.784 -1.685 5.722 458 HG2 ARG 57 2HG ARG 57 5.983 -0.224 3.823 459 HG3 ARG 57 3HG ARG 57 4.287 0.248 3.959 460 HD2 ARG 57 2HD ARG 57 5.633 1.998 4.896 461 HD3 ARG 57 3HD ARG 57 4.786 1.183 6.210 462 HE ARG 57 HE ARG 57 7.540 0.395 5.604 463 HH11 ARG 57 1HH1 ARG 57 5.284 1.863 7.767 464 HH12 ARG 57 2HH1 ARG 57 6.436 1.969 9.052 465 HH21 ARG 57 1HH2 ARG 57 8.991 0.548 7.254 466 HH22 ARG 57 2HH2 ARG 57 8.521 1.270 8.754 467 H ALA 58 H ALA 58 2.329 -2.667 5.960 468 HA ALA 58 HA ALA 58 3.053 -4.755 7.642 469 HB1 ALA 58 3HB ALA 58 1.207 -3.193 8.087 470 HB2 ALA 58 1HB ALA 58 0.711 -4.874 8.282 471 HB3 ALA 58 2HB ALA 58 0.247 -3.980 6.834 472 H TYR 59 H TYR 59 0.791 -5.004 4.861 473 HA TYR 59 HA TYR 59 0.416 -7.758 4.926 474 HB2 TYR 59 2HB TYR 59 -0.865 -6.149 3.510 475 HB3 TYR 59 3HB TYR 59 0.521 -6.035 2.433 476 HD1 TYR 59 HD1 TYR 59 1.101 -7.910 0.948 477 HD2 TYR 59 HD2 TYR 59 -2.281 -8.130 3.525 478 HE1 TYR 59 HE1 TYR 59 0.255 -9.829 -0.336 479 HE2 TYR 59 HE2 TYR 59 -3.133 -10.051 2.252 480 HH TYR 59 HH TYR 59 -2.859 -10.906 -0.171 481 H GLN 60 H GLN 60 3.016 -5.909 3.380 482 HA GLN 60 HA GLN 60 4.261 -8.153 2.127 483 HB2 GLN 60 2HB GLN 60 4.599 -5.786 1.419 484 HB3 GLN 60 3HB GLN 60 5.486 -5.489 2.905 485 HG2 GLN 60 2HG GLN 60 6.360 -7.617 0.979 486 HG3 GLN 60 3HG GLN 60 6.797 -5.930 0.732 487 HE21 GLN 60 1HE2 GLN 60 8.473 -8.276 1.303 488 HE22 GLN 60 2HE2 GLN 60 9.359 -7.873 2.725 489 H ASP 61 H ASP 61 4.556 -6.607 5.269 490 HA ASP 61 HA ASP 61 6.854 -8.039 6.142 491 HB2 ASP 61 2HB ASP 61 6.176 -5.908 7.145 492 HB3 ASP 61 3HB ASP 61 4.684 -6.637 7.728 493 H GLN 62 H GLN 62 3.386 -8.676 6.286 494 HA GLN 62 HA GLN 62 3.367 -10.795 8.125 495 HB2 GLN 62 2HB GLN 62 1.573 -10.433 5.711 496 HB3 GLN 62 3HB GLN 62 1.241 -11.470 7.091 497 HG2 GLN 62 2HG GLN 62 1.229 -9.464 8.545 498 HG3 GLN 62 3HG GLN 62 1.431 -8.464 7.110 499 HE21 GLN 62 1HE2 GLN 62 -0.735 -8.444 9.007 500 HE22 GLN 62 2HE2 GLN 62 -2.173 -8.787 8.117 501 H ILE 63 H ILE 63 3.841 -10.839 4.601 502 HA ILE 63 HA ILE 63 4.389 -13.685 4.584 503 HB ILE 63 HB ILE 63 4.838 -13.448 2.214 504 HG12 ILE 63 2HG1 ILE 63 4.600 -10.454 2.654 505 HG13 ILE 63 3HG1 ILE 63 6.086 -11.318 2.279 506 HG21 ILE 63 1HG2 ILE 63 2.438 -11.808 3.056 507 HG22 ILE 63 2HG2 ILE 63 2.504 -13.564 2.899 508 HG23 ILE 63 3HG2 ILE 63 2.671 -12.546 1.470 509 HD11 ILE 63 3HD1 ILE 63 3.683 -11.048 0.488 510 HD12 ILE 63 1HD1 ILE 63 5.142 -11.964 0.109 511 HD13 ILE 63 2HD1 ILE 63 5.226 -10.215 0.315 512 H SER 64 H SER 64 6.170 -10.720 4.833 513 HA SER 64 HA SER 64 8.288 -10.258 5.488 514 HB2 SER 64 2HB SER 64 8.107 -12.342 6.893 515 HB3 SER 64 3HB SER 64 8.858 -13.230 5.568 516 HG SER 64 HG SER 64 9.948 -11.242 7.240 517 HA PRO 65 HA PRO 65 10.369 -10.176 1.570 518 HB2 PRO 65 2HB PRO 65 12.785 -9.171 2.331 519 HB3 PRO 65 3HB PRO 65 11.319 -8.191 2.233 520 HG2 PRO 65 2HG PRO 65 12.597 -9.453 4.634 521 HG3 PRO 65 3HG PRO 65 11.912 -7.825 4.455 522 HD2 PRO 65 2HD PRO 65 10.563 -9.843 5.655 523 HD3 PRO 65 3HD PRO 65 9.742 -8.572 4.725 524 H VAL 66 H VAL 66 10.336 -12.562 1.502 525 HA VAL 66 HA VAL 66 13.074 -13.649 1.643 526 HB VAL 66 HB VAL 66 12.129 -15.874 2.244 527 HG11 VAL 66 1HG1 VAL 66 11.747 -15.382 4.614 528 HG12 VAL 66 2HG1 VAL 66 11.527 -13.675 4.229 529 HG13 VAL 66 3HG1 VAL 66 13.095 -14.441 3.974 530 HG21 VAL 66 3HG2 VAL 66 9.850 -16.008 3.154 531 HG22 VAL 66 1HG2 VAL 66 9.842 -15.551 1.451 532 HG23 VAL 66 2HG2 VAL 66 9.568 -14.330 2.695 533 HA PRO 67 HA PRO 67 12.528 -14.834 -2.655 534 HB2 PRO 67 2HB PRO 67 14.094 -17.246 -1.845 535 HB3 PRO 67 3HB PRO 67 14.381 -16.108 -3.165 536 HG2 PRO 67 2HG PRO 67 15.882 -16.015 -0.970 537 HG3 PRO 67 3HG PRO 67 15.353 -14.519 -1.768 538 HD2 PRO 67 2HD PRO 67 14.302 -15.812 0.725 539 HD3 PRO 67 3HD PRO 67 14.542 -14.089 0.361 540 H GLY 68 H GLY 68 12.308 -17.484 -0.252 541 HA2 GLY 68 2HA GLY 68 10.291 -18.879 -1.808 542 HA3 GLY 68 3HA GLY 68 10.918 -19.352 -0.233 543 H ALA 69 H ALA 69 9.134 -16.557 -1.562 544 HA ALA 69 HA ALA 69 7.737 -15.924 0.778 545 HB1 ALA 69 3HB ALA 69 6.900 -15.378 -2.068 546 HB2 ALA 69 1HB ALA 69 8.011 -14.394 -1.116 547 HB3 ALA 69 2HB ALA 69 6.323 -14.537 -0.628 548 HA PRO 70 HA PRO 70 4.951 -19.419 0.866 549 HB2 PRO 70 2HB PRO 70 3.532 -18.709 3.067 550 HB3 PRO 70 3HB PRO 70 5.190 -19.316 3.153 551 HG2 PRO 70 2HG PRO 70 4.208 -16.482 3.235 552 HG3 PRO 70 3HG PRO 70 5.422 -17.272 4.260 553 HD2 PRO 70 2HD PRO 70 6.098 -15.692 2.164 554 HD3 PRO 70 3HD PRO 70 7.080 -17.091 2.656 555 H LYS 71 H LYS 71 3.974 -16.166 0.343 556 HA LYS 71 HA LYS 71 1.159 -16.511 0.407 557 HB2 LYS 71 2HB LYS 71 1.036 -14.303 -0.602 558 HB3 LYS 71 3HB LYS 71 2.249 -14.320 0.664 559 HG2 LYS 71 2HG LYS 71 3.365 -13.133 -0.941 560 HG3 LYS 71 3HG LYS 71 3.888 -14.767 -1.355 561 HD2 LYS 71 2HD LYS 71 2.026 -14.864 -3.018 562 HD3 LYS 71 3HD LYS 71 1.681 -13.173 -2.668 563 HE2 LYS 71 2HE LYS 71 3.880 -12.532 -3.471 564 HE3 LYS 71 3HE LYS 71 4.310 -14.226 -3.716 565 HZ1 LYS 71 3HZ LYS 71 3.665 -13.211 -5.790 566 HZ2 LYS 71 1HZ LYS 71 2.170 -12.743 -5.150 567 HZ3 LYS 71 2HZ LYS 71 2.525 -14.380 -5.356 568 H ALA 72 H ALA 72 -0.312 -16.325 -1.451 569 HA ALA 72 HA ALA 72 0.062 -18.426 -3.262 570 HB1 ALA 72 3HB ALA 72 -2.028 -17.703 -4.275 571 HB2 ALA 72 1HB ALA 72 -1.901 -16.142 -3.464 572 HB3 ALA 72 2HB ALA 72 -2.129 -17.613 -2.517 573 HA PRO 73 HA PRO 73 2.305 -17.042 -6.844 574 HB2 PRO 73 2HB PRO 73 -0.095 -17.928 -8.405 575 HB3 PRO 73 3HB PRO 73 1.614 -18.303 -8.664 576 HG2 PRO 73 2HG PRO 73 0.020 -20.106 -7.553 577 HG3 PRO 73 3HG PRO 73 1.663 -19.868 -6.925 578 HD2 PRO 73 2HD PRO 73 -0.953 -18.962 -5.787 579 HD3 PRO 73 3HD PRO 73 0.504 -19.535 -4.949 580 H ALA 74 H ALA 74 -0.865 -15.811 -6.201 581 HA ALA 74 HA ALA 74 -1.340 -14.004 -8.222 582 HB1 ALA 74 3HB ALA 74 -2.888 -14.468 -6.368 583 HB2 ALA 74 1HB ALA 74 -2.658 -12.738 -6.623 584 HB3 ALA 74 2HB ALA 74 -1.849 -13.548 -5.280 585 H ALA 75 H ALA 75 -0.207 -12.403 -9.036 586 HA ALA 75 HA ALA 75 0.886 -10.274 -7.515 587 HB1 ALA 75 3HB ALA 75 3.256 -10.535 -8.007 588 HB2 ALA 75 1HB ALA 75 2.941 -12.078 -8.805 589 HB3 ALA 75 2HB ALA 75 2.668 -11.909 -7.071 Start of MODEL 9 1 H1 MET 1 1H MET 1 41.578 -48.776 25.700 2 H2 MET 1 2H MET 1 42.504 -47.855 24.627 3 H3 MET 1 3H MET 1 40.839 -48.014 24.385 4 HA MET 1 HA MET 1 40.367 -46.814 26.397 5 HB2 MET 1 2HB MET 1 43.381 -46.599 26.610 6 HB3 MET 1 3HB MET 1 42.254 -45.680 27.597 7 HG2 MET 1 2HG MET 1 41.355 -47.809 28.487 8 HG3 MET 1 3HG MET 1 42.576 -48.676 27.555 9 HE1 MET 1 3HE MET 1 43.408 -49.900 29.785 10 HE2 MET 1 1HE MET 1 42.181 -49.034 30.705 11 HE3 MET 1 2HE MET 1 43.855 -49.035 31.254 12 H GLY 2 H GLY 2 39.348 -45.367 25.093 13 HA2 GLY 2 2HA GLY 2 40.479 -42.874 24.563 14 HA3 GLY 2 3HA GLY 2 40.632 -43.816 23.090 15 H HIS 3 H HIS 3 38.589 -41.861 24.962 16 HA HIS 3 HA HIS 3 36.118 -42.706 23.664 17 HB2 HIS 3 2HB HIS 3 36.600 -40.347 25.509 18 HB3 HIS 3 3HB HIS 3 35.037 -41.001 25.031 19 HD1 HIS 3 HD1 HIS 3 37.496 -41.183 27.659 20 HD2 HIS 3 HD2 HIS 3 34.682 -43.781 26.054 21 HE1 HIS 3 HE1 HIS 3 37.171 -42.966 29.388 22 HE2 HIS 3 HE2 HIS 3 35.291 -44.379 28.495 23 H HIS 4 H HIS 4 36.089 -42.155 21.511 24 HA HIS 4 HA HIS 4 36.395 -39.340 20.791 25 HB2 HIS 4 2HB HIS 4 38.673 -40.333 20.644 26 HB3 HIS 4 3HB HIS 4 38.068 -41.501 19.476 27 HD1 HIS 4 HD1 HIS 4 38.982 -40.859 17.277 28 HD2 HIS 4 HD2 HIS 4 37.781 -37.532 19.458 29 HE1 HIS 4 HE1 HIS 4 39.384 -38.892 15.776 30 HE2 HIS 4 HE2 HIS 4 38.886 -36.890 17.209 31 H HIS 5 H HIS 5 34.839 -38.774 19.409 32 HA HIS 5 HA HIS 5 33.877 -40.609 17.344 33 HB2 HIS 5 2HB HIS 5 32.460 -41.038 19.352 34 HB3 HIS 5 3HB HIS 5 32.007 -39.341 19.379 35 HD1 HIS 5 HD1 HIS 5 31.138 -42.575 17.859 36 HD2 HIS 5 HD2 HIS 5 30.318 -38.561 17.161 37 HE1 HIS 5 HE1 HIS 5 29.150 -42.549 16.331 38 HE2 HIS 5 HE2 HIS 5 28.658 -40.117 15.936 39 H HIS 6 H HIS 6 32.804 -39.503 15.597 40 HA HIS 6 HA HIS 6 32.913 -36.550 15.719 41 HB2 HIS 6 2HB HIS 6 33.685 -36.513 13.370 42 HB3 HIS 6 3HB HIS 6 34.835 -37.313 14.434 43 HD1 HIS 6 HD1 HIS 6 35.643 -39.530 13.669 44 HD2 HIS 6 HD2 HIS 6 32.067 -38.480 11.838 45 HE1 HIS 6 HE1 HIS 6 35.207 -41.324 11.975 46 HE2 HIS 6 HE2 HIS 6 32.959 -40.759 11.005 47 H HIS 7 H HIS 7 31.475 -35.416 14.270 48 HA HIS 7 HA HIS 7 29.554 -36.880 12.704 49 HB2 HIS 7 2HB HIS 7 27.540 -36.104 13.900 50 HB3 HIS 7 3HB HIS 7 28.519 -37.185 14.884 51 HD1 HIS 7 HD1 HIS 7 26.796 -34.043 15.034 52 HD2 HIS 7 HD2 HIS 7 30.201 -35.630 16.800 53 HE1 HIS 7 HE1 HIS 7 27.240 -32.611 17.044 54 HE2 HIS 7 HE2 HIS 7 29.148 -33.746 18.217 55 H HIS 8 H HIS 8 29.620 -35.706 10.909 56 HA HIS 8 HA HIS 8 29.207 -32.784 11.087 57 HB2 HIS 8 2HB HIS 8 31.516 -33.164 10.445 58 HB3 HIS 8 3HB HIS 8 31.029 -34.299 9.193 59 HD1 HIS 8 HD1 HIS 8 31.216 -30.628 9.937 60 HD2 HIS 8 HD2 HIS 8 30.151 -33.130 6.796 61 HE1 HIS 8 HE1 HIS 8 31.000 -29.137 7.931 62 HE2 HIS 8 HE2 HIS 8 30.450 -30.678 6.028 63 H SER 9 H SER 9 27.311 -32.231 10.217 64 HA SER 9 HA SER 9 26.462 -33.419 7.678 65 HB2 SER 9 2HB SER 9 25.336 -34.799 9.371 66 HB3 SER 9 3HB SER 9 24.681 -33.351 10.133 67 HG SER 9 HG SER 9 23.216 -34.456 8.676 68 H HIS 10 H HIS 10 25.188 -32.070 6.409 69 HA HIS 10 HA HIS 10 23.953 -29.691 7.422 70 HB2 HIS 10 2HB HIS 10 26.319 -28.954 7.360 71 HB3 HIS 10 3HB HIS 10 26.387 -29.338 5.644 72 HD1 HIS 10 HD1 HIS 10 26.049 -27.384 4.192 73 HD2 HIS 10 HD2 HIS 10 24.133 -26.912 7.844 74 HE1 HIS 10 HE1 HIS 10 25.031 -25.092 4.126 75 HE2 HIS 10 HE2 HIS 10 24.039 -24.766 6.407 76 H MET 11 H MET 11 22.146 -30.584 6.409 77 HA MET 11 HA MET 11 22.208 -31.123 3.539 78 HB2 MET 11 2HB MET 11 21.111 -32.692 5.131 79 HB3 MET 11 3HB MET 11 19.948 -31.439 5.534 80 HG2 MET 11 2HG MET 11 19.142 -31.445 3.224 81 HG3 MET 11 3HG MET 11 20.309 -32.707 2.825 82 HE1 MET 11 3HE MET 11 18.449 -34.337 1.890 83 HE2 MET 11 1HE MET 11 17.254 -33.073 2.173 84 HE3 MET 11 2HE MET 11 16.957 -34.712 2.755 85 H SER 12 H SER 12 21.132 -29.946 1.982 86 HA SER 12 HA SER 12 19.809 -27.445 2.864 87 HB2 SER 12 2HB SER 12 21.398 -27.971 0.334 88 HB3 SER 12 3HB SER 12 20.506 -26.483 0.665 89 HG SER 12 HG SER 12 22.968 -27.142 1.439 90 H THR 13 H THR 13 17.839 -26.911 2.069 91 HA THR 13 HA THR 13 16.355 -28.989 0.646 92 HB THR 13 HB THR 13 14.349 -27.669 1.200 93 HG1 THR 13 HG1 THR 13 14.603 -25.600 1.548 94 HG21 THR 13 3HG2 THR 13 14.449 -27.853 3.644 95 HG22 THR 13 1HG2 THR 13 16.205 -27.990 3.568 96 HG23 THR 13 2HG2 THR 13 15.190 -29.255 2.873 97 HA PRO 14 HA PRO 14 16.138 -27.107 -3.410 98 HB2 PRO 14 2HB PRO 14 13.161 -27.262 -3.125 99 HB3 PRO 14 3HB PRO 14 14.198 -27.834 -4.438 100 HG2 PRO 14 2HG PRO 14 13.173 -29.560 -2.705 101 HG3 PRO 14 3HG PRO 14 14.847 -29.743 -3.266 102 HD2 PRO 14 2HD PRO 14 13.826 -28.691 -0.653 103 HD3 PRO 14 3HD PRO 14 15.245 -29.707 -0.982 104 H LEU 15 H LEU 15 15.941 -25.079 -4.321 105 HA LEU 15 HA LEU 15 14.975 -22.947 -2.555 106 HB2 LEU 15 2HB LEU 15 16.703 -22.818 -5.032 107 HB3 LEU 15 3HB LEU 15 16.286 -21.450 -4.015 108 HG LEU 15 HG LEU 15 17.958 -23.833 -3.185 109 HD11 LEU 15 1HD1 LEU 15 19.131 -22.342 -4.707 110 HD12 LEU 15 2HD1 LEU 15 19.787 -22.200 -3.074 111 HD13 LEU 15 3HD1 LEU 15 18.706 -20.956 -3.702 112 HD21 LEU 15 3HD2 LEU 15 16.648 -23.001 -1.300 113 HD22 LEU 15 1HD2 LEU 15 17.189 -21.355 -1.633 114 HD23 LEU 15 2HD2 LEU 15 18.349 -22.574 -1.105 115 H THR 16 H THR 16 12.962 -22.288 -2.878 116 HA THR 16 HA THR 16 11.687 -22.536 -5.496 117 HB THR 16 HB THR 16 10.388 -23.282 -3.568 118 HG1 THR 16 HG1 THR 16 8.494 -22.051 -4.013 119 HG21 THR 16 3HG2 THR 16 9.580 -21.707 -1.876 120 HG22 THR 16 1HG2 THR 16 10.530 -20.414 -2.613 121 HG23 THR 16 2HG2 THR 16 11.342 -21.790 -1.864 122 H GLY 17 H GLY 17 10.136 -20.662 -6.077 123 HA2 GLY 17 2HA GLY 17 11.829 -18.298 -6.364 124 HA3 GLY 17 3HA GLY 17 10.366 -18.649 -7.267 125 H LYS 18 H LYS 18 11.142 -16.152 -5.984 126 HA LYS 18 HA LYS 18 8.652 -15.646 -4.594 127 HB2 LYS 18 2HB LYS 18 9.502 -14.910 -2.517 128 HB3 LYS 18 3HB LYS 18 10.324 -16.430 -2.818 129 HG2 LYS 18 2HG LYS 18 11.494 -13.680 -3.245 130 HG3 LYS 18 3HG LYS 18 11.817 -14.737 -1.874 131 HD2 LYS 18 2HD LYS 18 12.479 -15.346 -4.761 132 HD3 LYS 18 3HD LYS 18 13.628 -14.799 -3.542 133 HE2 LYS 18 2HE LYS 18 13.255 -16.830 -2.249 134 HE3 LYS 18 3HE LYS 18 12.045 -17.370 -3.414 135 HZ1 LYS 18 3HZ LYS 18 13.834 -17.333 -5.117 136 HZ2 LYS 18 1HZ LYS 18 14.090 -18.467 -3.886 137 HZ3 LYS 18 2HZ LYS 18 14.952 -17.013 -3.889 138 HA PRO 19 HA PRO 19 9.102 -11.626 -6.501 139 HB2 PRO 19 2HB PRO 19 7.927 -10.420 -4.057 140 HB3 PRO 19 3HB PRO 19 7.340 -10.381 -5.723 141 HG2 PRO 19 2HG PRO 19 6.121 -11.872 -3.868 142 HG3 PRO 19 3HG PRO 19 6.279 -12.435 -5.542 143 HD2 PRO 19 2HD PRO 19 7.876 -13.218 -3.124 144 HD3 PRO 19 3HD PRO 19 7.247 -14.237 -4.439 145 H GLY 20 H GLY 20 9.822 -9.276 -5.857 146 HA2 GLY 20 2HA GLY 20 12.394 -9.518 -4.494 147 HA3 GLY 20 3HA GLY 20 11.818 -8.128 -5.405 148 H ALA 21 H ALA 21 10.222 -6.739 -4.387 149 HA ALA 21 HA ALA 21 9.419 -6.961 -1.689 150 HB1 ALA 21 3HB ALA 21 11.734 -5.067 -2.144 151 HB2 ALA 21 1HB ALA 21 11.795 -6.562 -1.213 152 HB3 ALA 21 2HB ALA 21 10.798 -5.217 -0.657 153 H LEU 22 H LEU 22 7.946 -5.325 -1.109 154 HA LEU 22 HA LEU 22 6.708 -3.832 -3.139 155 HB2 LEU 22 2HB LEU 22 6.637 -3.407 -0.145 156 HB3 LEU 22 3HB LEU 22 5.548 -2.636 -1.284 157 HG LEU 22 HG LEU 22 5.721 -5.593 -0.672 158 HD11 LEU 22 1HD1 LEU 22 3.528 -3.579 -0.172 159 HD12 LEU 22 2HD1 LEU 22 4.600 -4.271 1.045 160 HD13 LEU 22 3HD1 LEU 22 3.459 -5.306 0.188 161 HD21 LEU 22 3HD2 LEU 22 3.976 -4.142 -2.671 162 HD22 LEU 22 1HD2 LEU 22 3.795 -5.831 -2.193 163 HD23 LEU 22 2HD2 LEU 22 5.251 -5.306 -3.033 164 HA PRO 23 HA PRO 23 9.187 -0.293 -3.956 165 HB2 PRO 23 2HB PRO 23 6.671 1.293 -3.588 166 HB3 PRO 23 3HB PRO 23 7.824 1.305 -4.927 167 HG2 PRO 23 2HG PRO 23 5.502 0.053 -5.188 168 HG3 PRO 23 3HG PRO 23 6.988 -0.671 -5.836 169 HD2 PRO 23 2HD PRO 23 5.454 -1.379 -3.368 170 HD3 PRO 23 3HD PRO 23 6.304 -2.438 -4.513 171 H ALA 24 H ALA 24 10.483 1.007 -2.748 172 HA ALA 24 HA ALA 24 9.859 1.490 0.033 173 HB1 ALA 24 3HB ALA 24 12.081 2.492 0.151 174 HB2 ALA 24 1HB ALA 24 12.221 2.422 -1.606 175 HB3 ALA 24 2HB ALA 24 12.144 0.930 -0.667 176 H ASN 25 H ASN 25 9.285 3.143 -2.876 177 HA ASN 25 HA ASN 25 9.285 5.808 -1.679 178 HB2 ASN 25 2HB ASN 25 8.611 4.965 -4.511 179 HB3 ASN 25 3HB ASN 25 8.865 6.615 -3.948 180 HD21 ASN 25 1HD2 ASN 25 10.992 7.252 -3.342 181 HD22 ASN 25 2HD2 ASN 25 12.370 6.395 -3.940 182 H LEU 26 H LEU 26 7.272 3.775 -0.835 183 HA LEU 26 HA LEU 26 4.785 4.015 -2.003 184 HB2 LEU 26 2HB LEU 26 5.476 3.658 0.915 185 HB3 LEU 26 3HB LEU 26 3.851 3.494 0.276 186 HG LEU 26 HG LEU 26 6.222 1.769 -0.466 187 HD11 LEU 26 1HD1 LEU 26 5.397 1.310 1.780 188 HD12 LEU 26 2HD1 LEU 26 5.012 -0.017 0.684 189 HD13 LEU 26 3HD1 LEU 26 3.756 1.130 1.156 190 HD21 LEU 26 3HD2 LEU 26 4.568 0.410 -1.693 191 HD22 LEU 26 1HD2 LEU 26 4.750 2.028 -2.369 192 HD23 LEU 26 2HD2 LEU 26 3.346 1.640 -1.375 193 H ASP 27 H ASP 27 6.245 6.252 0.360 194 HA ASP 27 HA ASP 27 3.853 7.825 0.605 195 HB2 ASP 27 2HB ASP 27 5.612 7.705 2.381 196 HB3 ASP 27 3HB ASP 27 6.679 8.633 1.329 197 H ASP 28 H ASP 28 6.696 7.929 -1.447 198 HA ASP 28 HA ASP 28 6.147 10.485 -2.620 199 HB2 ASP 28 2HB ASP 28 8.402 9.415 -2.613 200 HB3 ASP 28 3HB ASP 28 7.801 8.194 -3.729 201 H MET 29 H MET 29 5.008 7.258 -3.109 202 HA MET 29 HA MET 29 3.910 7.580 -5.718 203 HB2 MET 29 2HB MET 29 3.253 5.653 -3.480 204 HB3 MET 29 3HB MET 29 2.550 5.560 -5.089 205 HG2 MET 29 2HG MET 29 4.701 5.142 -6.070 206 HG3 MET 29 3HG MET 29 5.506 5.414 -4.526 207 HE1 MET 29 3HE MET 29 2.580 1.899 -5.132 208 HE2 MET 29 1HE MET 29 2.882 3.094 -6.393 209 HE3 MET 29 2HE MET 29 2.092 3.577 -4.892 210 H LYS 30 H LYS 30 1.592 7.544 -6.204 211 HA LYS 30 HA LYS 30 0.211 9.584 -4.630 212 HB2 LYS 30 2HB LYS 30 -0.298 8.436 -7.383 213 HB3 LYS 30 3HB LYS 30 -1.295 9.682 -6.634 214 HG2 LYS 30 2HG LYS 30 0.342 11.299 -6.810 215 HG3 LYS 30 3HG LYS 30 1.655 10.123 -6.856 216 HD2 LYS 30 2HD LYS 30 1.332 11.214 -9.030 217 HD3 LYS 30 3HD LYS 30 1.029 9.480 -9.117 218 HE2 LYS 30 2HE LYS 30 -1.386 9.910 -8.993 219 HE3 LYS 30 3HE LYS 30 -1.071 11.645 -8.937 220 HZ1 LYS 30 3HZ LYS 30 -0.046 11.488 -11.116 221 HZ2 LYS 30 1HZ LYS 30 -1.631 10.909 -11.168 222 HZ3 LYS 30 2HZ LYS 30 -0.337 9.824 -11.165 223 H VAL 31 H VAL 31 -2.096 9.413 -4.218 224 HA VAL 31 HA VAL 31 -2.757 7.238 -2.634 225 HB VAL 31 HB VAL 31 -4.705 9.110 -4.008 226 HG11 VAL 31 1HG1 VAL 31 -5.819 7.163 -3.050 227 HG12 VAL 31 2HG1 VAL 31 -6.188 8.610 -2.112 228 HG13 VAL 31 3HG1 VAL 31 -5.012 7.443 -1.504 229 HG21 VAL 31 3HG2 VAL 31 -4.552 10.455 -1.950 230 HG22 VAL 31 1HG2 VAL 31 -3.001 10.355 -2.784 231 HG23 VAL 31 2HG2 VAL 31 -3.294 9.378 -1.346 232 H ALA 32 H ALA 32 -3.856 7.864 -5.969 233 HA ALA 32 HA ALA 32 -5.504 5.600 -6.244 234 HB1 ALA 32 3HB ALA 32 -5.406 6.015 -8.635 235 HB2 ALA 32 1HB ALA 32 -3.998 7.056 -8.422 236 HB3 ALA 32 2HB ALA 32 -5.560 7.539 -7.762 237 H GLU 33 H GLU 33 -2.040 6.014 -6.732 238 HA GLU 33 HA GLU 33 -1.608 3.510 -8.051 239 HB2 GLU 33 2HB GLU 33 0.404 5.222 -6.569 240 HB3 GLU 33 3HB GLU 33 0.761 3.984 -7.769 241 HG2 GLU 33 2HG GLU 33 -0.451 5.341 -9.460 242 HG3 GLU 33 3HG GLU 33 -0.661 6.603 -8.248 243 H LEU 34 H LEU 34 -1.432 4.612 -4.707 244 HA LEU 34 HA LEU 34 -0.455 2.213 -3.559 245 HB2 LEU 34 2HB LEU 34 -2.240 4.344 -2.364 246 HB3 LEU 34 3HB LEU 34 -1.425 3.090 -1.448 247 HG LEU 34 HG LEU 34 -0.015 5.229 -3.058 248 HD11 LEU 34 1HD1 LEU 34 -1.195 6.202 -1.153 249 HD12 LEU 34 2HD1 LEU 34 0.550 6.234 -0.896 250 HD13 LEU 34 3HD1 LEU 34 -0.440 5.028 -0.073 251 HD21 LEU 34 3HD2 LEU 34 1.047 3.175 -1.111 252 HD22 LEU 34 1HD2 LEU 34 1.993 4.455 -1.871 253 HD23 LEU 34 2HD2 LEU 34 1.289 3.176 -2.858 254 H LYS 35 H LYS 35 -3.794 3.449 -3.887 255 HA LYS 35 HA LYS 35 -5.197 1.244 -2.930 256 HB2 LYS 35 2HB LYS 35 -5.895 3.205 -5.127 257 HB3 LYS 35 3HB LYS 35 -7.034 2.021 -4.500 258 HG2 LYS 35 2HG LYS 35 -7.012 3.046 -2.334 259 HG3 LYS 35 3HG LYS 35 -5.692 4.123 -2.801 260 HD2 LYS 35 2HD LYS 35 -7.111 5.254 -4.398 261 HD3 LYS 35 3HD LYS 35 -8.414 4.097 -4.120 262 HE2 LYS 35 2HE LYS 35 -7.306 5.879 -1.953 263 HE3 LYS 35 3HE LYS 35 -8.654 6.348 -2.988 264 HZ1 LYS 35 3HZ LYS 35 -8.571 4.051 -1.109 265 HZ2 LYS 35 1HZ LYS 35 -9.822 4.329 -2.215 266 HZ3 LYS 35 2HZ LYS 35 -9.517 5.444 -0.985 267 H GLN 36 H GLN 36 -3.928 1.859 -6.174 268 HA GLN 36 HA GLN 36 -5.063 -0.271 -7.559 269 HB2 GLN 36 2HB GLN 36 -3.809 1.668 -8.530 270 HB3 GLN 36 3HB GLN 36 -2.310 0.939 -7.987 271 HG2 GLN 36 2HG GLN 36 -4.149 -0.546 -9.827 272 HG3 GLN 36 3HG GLN 36 -3.053 0.681 -10.451 273 HE21 GLN 36 1HE2 GLN 36 -3.108 -2.172 -10.985 274 HE22 GLN 36 2HE2 GLN 36 -1.550 -2.769 -10.525 275 H GLU 37 H GLU 37 -1.934 -0.178 -5.837 276 HA GLU 37 HA GLU 37 -1.330 -2.923 -6.312 277 HB2 GLU 37 2HB GLU 37 -0.224 -0.881 -4.396 278 HB3 GLU 37 3HB GLU 37 0.337 -2.545 -4.404 279 HG2 GLU 37 2HG GLU 37 0.894 -2.265 -6.825 280 HG3 GLU 37 3HG GLU 37 0.517 -0.553 -6.651 281 H LEU 38 H LEU 38 -2.847 -1.229 -3.586 282 HA LEU 38 HA LEU 38 -3.026 -3.337 -1.772 283 HB2 LEU 38 2HB LEU 38 -4.890 -1.035 -2.326 284 HB3 LEU 38 3HB LEU 38 -5.172 -2.169 -1.018 285 HG LEU 38 HG LEU 38 -2.687 -0.466 -1.276 286 HD11 LEU 38 1HD1 LEU 38 -4.649 0.934 -0.928 287 HD12 LEU 38 2HD1 LEU 38 -3.646 0.885 0.521 288 HD13 LEU 38 3HD1 LEU 38 -5.133 -0.062 0.445 289 HD21 LEU 38 3HD2 LEU 38 -3.747 -2.139 1.013 290 HD22 LEU 38 1HD2 LEU 38 -2.312 -1.113 1.055 291 HD23 LEU 38 2HD2 LEU 38 -2.354 -2.525 0.001 292 H LYS 39 H LYS 39 -5.419 -2.393 -4.252 293 HA LYS 39 HA LYS 39 -7.275 -4.408 -3.607 294 HB2 LYS 39 2HB LYS 39 -8.473 -3.743 -5.559 295 HB3 LYS 39 3HB LYS 39 -7.764 -2.298 -4.854 296 HG2 LYS 39 2HG LYS 39 -5.930 -2.457 -6.538 297 HG3 LYS 39 3HG LYS 39 -6.827 -3.769 -7.308 298 HD2 LYS 39 2HD LYS 39 -7.761 -0.917 -6.914 299 HD3 LYS 39 3HD LYS 39 -7.315 -1.681 -8.439 300 HE2 LYS 39 2HE LYS 39 -9.202 -3.193 -8.282 301 HE3 LYS 39 3HE LYS 39 -9.610 -2.573 -6.685 302 HZ1 LYS 39 3HZ LYS 39 -9.680 -1.023 -9.214 303 HZ2 LYS 39 1HZ LYS 39 -10.070 -0.424 -7.682 304 HZ3 LYS 39 2HZ LYS 39 -11.023 -1.626 -8.386 305 H LEU 40 H LEU 40 -4.445 -4.498 -5.671 306 HA LEU 40 HA LEU 40 -5.111 -6.944 -6.999 307 HB2 LEU 40 2HB LEU 40 -2.422 -5.652 -6.507 308 HB3 LEU 40 3HB LEU 40 -2.681 -7.046 -7.541 309 HG LEU 40 HG LEU 40 -3.724 -4.245 -7.977 310 HD11 LEU 40 1HD1 LEU 40 -2.356 -4.352 -10.015 311 HD12 LEU 40 2HD1 LEU 40 -1.746 -5.928 -9.511 312 HD13 LEU 40 3HD1 LEU 40 -1.394 -4.494 -8.545 313 HD21 LEU 40 3HD2 LEU 40 -4.685 -5.100 -10.075 314 HD22 LEU 40 1HD2 LEU 40 -5.439 -5.820 -8.653 315 HD23 LEU 40 2HD2 LEU 40 -4.263 -6.743 -9.590 316 H ARG 41 H ARG 41 -3.576 -6.159 -3.941 317 HA ARG 41 HA ARG 41 -3.187 -9.012 -3.361 318 HB2 ARG 41 2HB ARG 41 -2.223 -6.494 -2.024 319 HB3 ARG 41 3HB ARG 41 -2.259 -8.006 -1.129 320 HG2 ARG 41 2HG ARG 41 -0.081 -7.889 -1.945 321 HG3 ARG 41 3HG ARG 41 -0.892 -8.985 -3.061 322 HD2 ARG 41 2HD ARG 41 0.364 -7.566 -4.438 323 HD3 ARG 41 3HD ARG 41 -1.273 -6.918 -4.531 324 HE ARG 41 HE ARG 41 -0.372 -5.352 -2.678 325 HH11 ARG 41 1HH1 ARG 41 1.429 -6.524 -5.376 326 HH12 ARG 41 2HH1 ARG 41 2.429 -5.114 -5.457 327 HH21 ARG 41 1HH2 ARG 41 0.977 -3.582 -2.766 328 HH22 ARG 41 2HH2 ARG 41 2.182 -3.477 -3.997 329 H SER 42 H SER 42 -5.806 -7.383 -3.483 330 HA SER 42 HA SER 42 -7.872 -7.521 -2.550 331 HB2 SER 42 2HB SER 42 -7.372 -9.937 -2.459 332 HB3 SER 42 3HB SER 42 -6.675 -9.726 -0.856 333 HG SER 42 HG SER 42 -8.722 -9.093 -0.100 334 H LEU 43 H LEU 43 -5.603 -5.960 -1.188 335 HA LEU 43 HA LEU 43 -6.356 -5.845 1.591 336 HB2 LEU 43 2HB LEU 43 -4.482 -4.223 -0.125 337 HB3 LEU 43 3HB LEU 43 -4.747 -3.868 1.571 338 HG LEU 43 HG LEU 43 -3.778 -6.573 0.635 339 HD11 LEU 43 1HD1 LEU 43 -2.176 -4.887 -0.128 340 HD12 LEU 43 2HD1 LEU 43 -1.513 -5.854 1.188 341 HD13 LEU 43 3HD1 LEU 43 -2.094 -4.218 1.503 342 HD21 LEU 43 3HD2 LEU 43 -3.643 -5.147 3.292 343 HD22 LEU 43 1HD2 LEU 43 -3.021 -6.762 2.947 344 HD23 LEU 43 2HD2 LEU 43 -4.755 -6.454 2.873 345 HA PRO 44 HA PRO 44 -9.747 -2.940 1.296 346 HB2 PRO 44 2HB PRO 44 -8.722 -2.031 3.951 347 HB3 PRO 44 3HB PRO 44 -10.352 -2.536 3.487 348 HG2 PRO 44 2HG PRO 44 -8.811 -4.163 4.908 349 HG3 PRO 44 3HG PRO 44 -9.823 -4.803 3.599 350 HD2 PRO 44 2HD PRO 44 -6.873 -4.268 3.626 351 HD3 PRO 44 3HD PRO 44 -7.765 -5.629 2.914 352 H VAL 45 H VAL 45 -9.694 -1.137 0.102 353 HA VAL 45 HA VAL 45 -7.371 0.647 0.230 354 HB VAL 45 HB VAL 45 -8.218 1.603 -1.883 355 HG11 VAL 45 1HG1 VAL 45 -8.044 -1.414 -1.897 356 HG12 VAL 45 2HG1 VAL 45 -6.682 -0.294 -1.948 357 HG13 VAL 45 3HG1 VAL 45 -7.819 -0.360 -3.295 358 HG21 VAL 45 3HG2 VAL 45 -10.119 0.553 -3.041 359 HG22 VAL 45 1HG2 VAL 45 -10.615 1.300 -1.519 360 HG23 VAL 45 2HG2 VAL 45 -10.425 -0.452 -1.621 361 H SER 46 H SER 46 -10.003 0.618 2.013 362 HA SER 46 HA SER 46 -11.239 3.150 1.501 363 HB2 SER 46 2HB SER 46 -12.471 1.313 2.558 364 HB3 SER 46 3HB SER 46 -11.401 1.388 3.957 365 HG SER 46 HG SER 46 -13.590 2.867 3.389 366 H GLY 47 H GLY 47 -8.439 2.251 3.326 367 HA2 GLY 47 2HA GLY 47 -8.520 4.297 5.302 368 HA3 GLY 47 3HA GLY 47 -7.103 3.378 4.832 369 H THR 48 H THR 48 -6.792 5.992 5.531 370 HA THR 48 HA THR 48 -6.780 7.780 3.281 371 HB THR 48 HB THR 48 -5.473 9.286 4.690 372 HG1 THR 48 HG1 THR 48 -5.313 7.988 6.990 373 HG21 THR 48 3HG2 THR 48 -7.886 9.174 5.122 374 HG22 THR 48 1HG2 THR 48 -6.990 9.504 6.605 375 HG23 THR 48 2HG2 THR 48 -7.618 7.884 6.297 376 H LYS 49 H LYS 49 -4.612 8.865 2.638 377 HA LYS 49 HA LYS 49 -3.073 7.133 1.163 378 HB2 LYS 49 2HB LYS 49 -3.072 9.544 0.806 379 HB3 LYS 49 3HB LYS 49 -2.234 9.794 2.332 380 HG2 LYS 49 2HG LYS 49 -0.257 8.679 1.474 381 HG3 LYS 49 3HG LYS 49 -1.092 8.309 -0.038 382 HD2 LYS 49 2HD LYS 49 -1.286 10.698 -0.531 383 HD3 LYS 49 3HD LYS 49 -0.509 11.090 1.005 384 HE2 LYS 49 2HE LYS 49 0.778 9.516 -1.232 385 HE3 LYS 49 3HE LYS 49 1.031 11.233 -0.934 386 HZ1 LYS 49 3HZ LYS 49 1.913 10.660 1.260 387 HZ2 LYS 49 1HZ LYS 49 2.811 9.953 0.016 388 HZ3 LYS 49 2HZ LYS 49 1.729 9.018 0.914 389 H THR 50 H THR 50 -2.305 8.341 4.438 390 HA THR 50 HA THR 50 0.162 6.971 4.705 391 HB THR 50 HB THR 50 -1.765 7.838 6.881 392 HG1 THR 50 HG1 THR 50 0.591 9.105 5.861 393 HG21 THR 50 3HG2 THR 50 0.204 7.753 8.370 394 HG22 THR 50 1HG2 THR 50 1.147 7.040 7.063 395 HG23 THR 50 2HG2 THR 50 -0.223 6.160 7.743 396 H GLU 51 H GLU 51 -3.158 6.053 5.601 397 HA GLU 51 HA GLU 51 -2.490 3.611 6.863 398 HB2 GLU 51 2HB GLU 51 -5.079 4.442 5.524 399 HB3 GLU 51 3HB GLU 51 -4.889 3.039 6.571 400 HG2 GLU 51 2HG GLU 51 -4.244 4.538 8.420 401 HG3 GLU 51 3HG GLU 51 -4.521 5.925 7.368 402 H LEU 52 H LEU 52 -3.179 4.416 3.491 403 HA LEU 52 HA LEU 52 -3.313 1.800 2.447 404 HB2 LEU 52 2HB LEU 52 -2.159 4.214 1.035 405 HB3 LEU 52 3HB LEU 52 -2.842 2.784 0.287 406 HG LEU 52 HG LEU 52 -4.343 4.914 1.817 407 HD11 LEU 52 1HD1 LEU 52 -3.687 5.592 -0.425 408 HD12 LEU 52 2HD1 LEU 52 -5.431 5.348 -0.324 409 HD13 LEU 52 3HD1 LEU 52 -4.414 4.129 -1.094 410 HD21 LEU 52 3HD2 LEU 52 -5.328 2.722 2.270 411 HD22 LEU 52 1HD2 LEU 52 -5.432 2.405 0.538 412 HD23 LEU 52 2HD2 LEU 52 -6.383 3.703 1.258 413 H ILE 53 H ILE 53 -0.577 4.004 2.882 414 HA ILE 53 HA ILE 53 1.491 2.370 1.922 415 HB ILE 53 HB ILE 53 1.579 4.457 4.116 416 HG12 ILE 53 2HG1 ILE 53 2.197 4.731 1.159 417 HG13 ILE 53 3HG1 ILE 53 0.703 5.263 1.923 418 HG21 ILE 53 1HG2 ILE 53 3.556 3.077 4.227 419 HG22 ILE 53 2HG2 ILE 53 3.983 4.649 3.550 420 HG23 ILE 53 3HG2 ILE 53 3.817 3.246 2.490 421 HD11 ILE 53 3HD1 ILE 53 3.464 6.317 2.481 422 HD12 ILE 53 1HD1 ILE 53 1.988 6.839 3.292 423 HD13 ILE 53 2HD1 ILE 53 2.191 7.123 1.565 424 H GLU 54 H GLU 54 0.371 2.847 5.289 425 HA GLU 54 HA GLU 54 2.044 0.934 6.489 426 HB2 GLU 54 2HB GLU 54 -0.666 1.960 7.360 427 HB3 GLU 54 3HB GLU 54 0.393 0.988 8.371 428 HG2 GLU 54 2HG GLU 54 1.092 3.690 7.235 429 HG3 GLU 54 3HG GLU 54 0.500 3.402 8.869 430 H ARG 55 H ARG 55 -1.019 0.579 4.827 431 HA ARG 55 HA ARG 55 -1.663 -2.019 5.763 432 HB2 ARG 55 2HB ARG 55 -3.233 -0.402 4.613 433 HB3 ARG 55 3HB ARG 55 -2.450 -0.824 3.096 434 HG2 ARG 55 2HG ARG 55 -4.362 -2.155 3.140 435 HG3 ARG 55 3HG ARG 55 -3.074 -3.244 3.652 436 HD2 ARG 55 2HD ARG 55 -5.000 -1.806 5.487 437 HD3 ARG 55 3HD ARG 55 -5.108 -3.501 5.017 438 HE ARG 55 HE ARG 55 -3.007 -2.332 6.728 439 HH11 ARG 55 1HH1 ARG 55 -4.772 -5.057 5.586 440 HH12 ARG 55 2HH1 ARG 55 -4.109 -6.123 6.772 441 HH21 ARG 55 1HH2 ARG 55 -2.165 -3.692 8.240 442 HH22 ARG 55 2HH2 ARG 55 -2.633 -5.358 8.260 443 H LEU 56 H LEU 56 -0.110 -0.934 2.718 444 HA LEU 56 HA LEU 56 0.545 -3.479 1.716 445 HB2 LEU 56 2HB LEU 56 1.839 -0.780 1.347 446 HB3 LEU 56 3HB LEU 56 2.443 -2.211 0.533 447 HG LEU 56 HG LEU 56 -0.338 -1.058 0.210 448 HD11 LEU 56 1HD1 LEU 56 2.026 -1.014 -1.667 449 HD12 LEU 56 2HD1 LEU 56 1.370 0.369 -0.791 450 HD13 LEU 56 3HD1 LEU 56 0.402 -0.429 -2.030 451 HD21 LEU 56 3HD2 LEU 56 -0.316 -3.481 -0.074 452 HD22 LEU 56 1HD2 LEU 56 1.022 -3.354 -1.214 453 HD23 LEU 56 2HD2 LEU 56 -0.555 -2.679 -1.624 454 H ARG 57 H ARG 57 2.520 -1.247 3.666 455 HA ARG 57 HA ARG 57 4.801 -2.834 3.908 456 HB2 ARG 57 2HB ARG 57 3.626 -0.577 5.466 457 HB3 ARG 57 3HB ARG 57 4.968 -1.462 6.182 458 HG2 ARG 57 2HG ARG 57 6.475 -0.724 4.631 459 HG3 ARG 57 3HG ARG 57 5.265 -0.552 3.365 460 HD2 ARG 57 2HD ARG 57 6.302 1.577 4.319 461 HD3 ARG 57 3HD ARG 57 4.550 1.516 4.167 462 HE ARG 57 HE ARG 57 4.365 1.623 6.445 463 HH11 ARG 57 1HH1 ARG 57 7.656 0.943 5.665 464 HH12 ARG 57 2HH1 ARG 57 8.210 1.282 7.268 465 HH21 ARG 57 1HH2 ARG 57 5.077 2.077 8.459 466 HH22 ARG 57 2HH2 ARG 57 6.760 1.904 8.845 467 H ALA 58 H ALA 58 1.867 -2.825 5.923 468 HA ALA 58 HA ALA 58 2.809 -4.693 7.845 469 HB1 ALA 58 3HB ALA 58 -0.043 -4.155 7.002 470 HB2 ALA 58 1HB ALA 58 0.852 -3.250 8.225 471 HB3 ALA 58 2HB ALA 58 0.477 -4.954 8.488 472 H TYR 59 H TYR 59 1.076 -5.088 4.778 473 HA TYR 59 HA TYR 59 0.601 -7.862 4.948 474 HB2 TYR 59 2HB TYR 59 -0.536 -6.390 3.333 475 HB3 TYR 59 3HB TYR 59 0.981 -6.138 2.480 476 HD1 TYR 59 HD2 TYR 59 -1.684 -8.573 3.221 477 HD2 TYR 59 HD1 TYR 59 1.849 -7.815 0.964 478 HE1 TYR 59 HE2 TYR 59 -2.171 -10.530 1.814 479 HE2 TYR 59 HE1 TYR 59 1.370 -9.771 -0.450 480 HH TYR 59 HH TYR 59 0.080 -11.929 -0.237 481 H GLN 60 H GLN 60 3.379 -6.031 3.719 482 HA GLN 60 HA GLN 60 4.789 -8.358 2.772 483 HB2 GLN 60 2HB GLN 60 5.018 -5.776 2.147 484 HB3 GLN 60 3HB GLN 60 6.212 -5.800 3.430 485 HG2 GLN 60 2HG GLN 60 6.255 -7.538 0.965 486 HG3 GLN 60 3HG GLN 60 7.208 -6.079 1.209 487 HE21 GLN 60 1HE2 GLN 60 8.930 -6.132 2.693 488 HE22 GLN 60 2HE2 GLN 60 9.610 -7.626 3.227 489 H ASP 61 H ASP 61 5.002 -6.285 5.638 490 HA ASP 61 HA ASP 61 7.289 -7.267 6.835 491 HB2 ASP 61 2HB ASP 61 5.971 -5.264 7.532 492 HB3 ASP 61 3HB ASP 61 4.780 -6.339 8.254 493 H GLN 62 H GLN 62 4.118 -8.758 6.740 494 HA GLN 62 HA GLN 62 4.744 -10.665 8.842 495 HB2 GLN 62 2HB GLN 62 2.491 -11.590 8.337 496 HB3 GLN 62 3HB GLN 62 2.483 -9.874 8.726 497 HG2 GLN 62 2HG GLN 62 2.414 -9.380 6.290 498 HG3 GLN 62 3HG GLN 62 2.246 -11.110 5.990 499 HE21 GLN 62 1HE2 GLN 62 0.721 -8.275 7.306 500 HE22 GLN 62 2HE2 GLN 62 -0.883 -8.916 7.342 501 H ILE 63 H ILE 63 4.971 -10.581 5.373 502 HA ILE 63 HA ILE 63 5.268 -13.508 5.231 503 HB ILE 63 HB ILE 63 5.160 -13.270 2.800 504 HG12 ILE 63 2HG1 ILE 63 4.845 -10.299 3.346 505 HG13 ILE 63 3HG1 ILE 63 6.240 -11.061 2.593 506 HG21 ILE 63 1HG2 ILE 63 3.080 -13.560 4.019 507 HG22 ILE 63 2HG2 ILE 63 2.821 -12.512 2.624 508 HG23 ILE 63 3HG2 ILE 63 2.939 -11.815 4.241 509 HD11 ILE 63 3HD1 ILE 63 3.453 -10.943 1.465 510 HD12 ILE 63 1HD1 ILE 63 4.825 -11.755 0.714 511 HD13 ILE 63 2HD1 ILE 63 4.847 -10.006 0.930 512 H SER 64 H SER 64 7.167 -10.678 5.343 513 HA SER 64 HA SER 64 9.343 -11.426 3.700 514 HB2 SER 64 2HB SER 64 8.945 -9.098 4.425 515 HB3 SER 64 3HB SER 64 9.347 -9.548 6.081 516 HG SER 64 HG SER 64 11.054 -9.583 3.813 517 HA PRO 65 HA PRO 65 11.351 -14.405 6.385 518 HB2 PRO 65 2HB PRO 65 13.712 -14.169 4.682 519 HB3 PRO 65 3HB PRO 65 12.603 -15.528 4.862 520 HG2 PRO 65 2HG PRO 65 12.740 -14.033 2.596 521 HG3 PRO 65 3HG PRO 65 11.252 -14.832 3.141 522 HD2 PRO 65 2HD PRO 65 12.067 -11.956 3.425 523 HD3 PRO 65 3HD PRO 65 10.485 -12.642 2.993 524 H VAL 66 H VAL 66 11.586 -12.961 8.198 525 HA VAL 66 HA VAL 66 13.815 -11.175 8.400 526 HB VAL 66 HB VAL 66 13.236 -10.976 10.774 527 HG11 VAL 66 1HG1 VAL 66 10.822 -10.939 8.954 528 HG12 VAL 66 2HG1 VAL 66 11.994 -9.638 9.170 529 HG13 VAL 66 3HG1 VAL 66 10.947 -10.111 10.509 530 HG21 VAL 66 3HG2 VAL 66 11.352 -12.232 11.726 531 HG22 VAL 66 1HG2 VAL 66 12.664 -13.307 11.241 532 HG23 VAL 66 2HG2 VAL 66 11.222 -13.166 10.235 533 HA PRO 67 HA PRO 67 17.479 -13.314 9.475 534 HB2 PRO 67 2HB PRO 67 17.016 -12.363 12.294 535 HB3 PRO 67 3HB PRO 67 18.521 -12.409 11.361 536 HG2 PRO 67 2HG PRO 67 17.127 -10.143 11.589 537 HG3 PRO 67 3HG PRO 67 17.935 -10.571 10.070 538 HD2 PRO 67 2HD PRO 67 15.045 -10.526 10.709 539 HD3 PRO 67 3HD PRO 67 15.855 -10.431 9.132 540 H GLY 68 H GLY 68 15.339 -13.685 12.356 541 HA2 GLY 68 2HA GLY 68 16.031 -16.575 12.321 542 HA3 GLY 68 3HA GLY 68 15.867 -15.642 13.797 543 H ALA 69 H ALA 69 13.885 -16.326 10.880 544 HA ALA 69 HA ALA 69 11.889 -17.641 12.487 545 HB1 ALA 69 3HB ALA 69 11.330 -15.271 12.894 546 HB2 ALA 69 1HB ALA 69 10.042 -16.135 12.051 547 HB3 ALA 69 2HB ALA 69 11.103 -15.045 11.158 548 HA PRO 70 HA PRO 70 11.139 -19.556 8.514 549 HB2 PRO 70 2HB PRO 70 8.782 -20.790 9.016 550 HB3 PRO 70 3HB PRO 70 10.306 -21.341 9.725 551 HG2 PRO 70 2HG PRO 70 8.157 -19.635 10.946 552 HG3 PRO 70 3HG PRO 70 9.029 -21.008 11.655 553 HD2 PRO 70 2HD PRO 70 9.677 -18.423 12.185 554 HD3 PRO 70 3HD PRO 70 10.882 -19.727 12.166 555 H LYS 71 H LYS 71 9.523 -19.587 6.717 556 HA LYS 71 HA LYS 71 7.528 -17.469 6.739 557 HB2 LYS 71 2HB LYS 71 8.517 -16.170 4.936 558 HB3 LYS 71 3HB LYS 71 9.627 -16.245 6.295 559 HG2 LYS 71 2HG LYS 71 9.833 -18.004 3.852 560 HG3 LYS 71 3HG LYS 71 10.703 -16.485 4.053 561 HD2 LYS 71 2HD LYS 71 11.799 -17.408 6.069 562 HD3 LYS 71 3HD LYS 71 10.950 -18.932 5.815 563 HE2 LYS 71 2HE LYS 71 12.085 -19.228 3.675 564 HE3 LYS 71 3HE LYS 71 12.902 -17.679 3.879 565 HZ1 LYS 71 3HZ LYS 71 13.232 -20.074 5.607 566 HZ2 LYS 71 1HZ LYS 71 13.971 -18.577 5.877 567 HZ3 LYS 71 2HZ LYS 71 14.357 -19.475 4.498 568 H ALA 72 H ALA 72 6.439 -17.232 4.594 569 HA ALA 72 HA ALA 72 6.623 -19.614 2.869 570 HB1 ALA 72 3HB ALA 72 4.725 -19.917 4.414 571 HB2 ALA 72 1HB ALA 72 4.205 -19.773 2.733 572 HB3 ALA 72 2HB ALA 72 4.027 -18.403 3.833 573 HA PRO 73 HA PRO 73 6.904 -16.008 0.126 574 HB2 PRO 73 2HB PRO 73 7.949 -17.294 -2.009 575 HB3 PRO 73 3HB PRO 73 8.911 -16.896 -0.580 576 HG2 PRO 73 2HG PRO 73 7.634 -19.504 -1.334 577 HG3 PRO 73 3HG PRO 73 9.255 -19.198 -0.681 578 HD2 PRO 73 2HD PRO 73 7.161 -20.040 0.855 579 HD3 PRO 73 3HD PRO 73 8.489 -19.045 1.486 580 H ALA 74 H ALA 74 5.289 -15.153 -1.042 581 HA ALA 74 HA ALA 74 3.351 -16.913 -2.366 582 HB1 ALA 74 3HB ALA 74 2.488 -15.177 -0.857 583 HB2 ALA 74 1HB ALA 74 1.919 -14.945 -2.511 584 HB3 ALA 74 2HB ALA 74 3.217 -13.934 -1.874 585 H ALA 75 H ALA 75 4.246 -17.519 -4.305 586 HA ALA 75 HA ALA 75 4.617 -15.412 -6.315 587 HB1 ALA 75 3HB ALA 75 6.730 -16.365 -7.102 588 HB2 ALA 75 1HB ALA 75 6.691 -17.555 -5.800 589 HB3 ALA 75 2HB ALA 75 6.860 -15.841 -5.424 Start of MODEL 10 1 H1 MET 1 1H MET 1 4.723 7.450 -62.041 2 H2 MET 1 2H MET 1 3.818 7.841 -63.416 3 H3 MET 1 3H MET 1 4.845 6.497 -63.433 4 HA MET 1 HA MET 1 2.402 6.819 -61.784 5 HB2 MET 1 2HB MET 1 1.934 6.385 -64.157 6 HB3 MET 1 3HB MET 1 3.007 4.992 -64.126 7 HG2 MET 1 2HG MET 1 1.495 3.971 -62.408 8 HG3 MET 1 3HG MET 1 0.381 5.307 -62.691 9 HE1 MET 1 3HE MET 1 1.564 2.203 -65.902 10 HE2 MET 1 1HE MET 1 2.164 2.179 -64.244 11 HE3 MET 1 2HE MET 1 2.655 3.469 -65.342 12 H GLY 2 H GLY 2 2.884 5.987 -59.816 13 HA2 GLY 2 2HA GLY 2 2.971 3.416 -59.134 14 HA3 GLY 2 3HA GLY 2 4.647 3.658 -59.593 15 H HIS 3 H HIS 3 2.151 5.195 -57.545 16 HA HIS 3 HA HIS 3 4.001 6.419 -55.777 17 HB2 HIS 3 2HB HIS 3 1.096 5.678 -55.343 18 HB3 HIS 3 3HB HIS 3 2.037 6.705 -54.264 19 HD1 HIS 3 HD1 HIS 3 -0.124 6.847 -57.167 20 HD2 HIS 3 HD2 HIS 3 2.978 9.153 -55.648 21 HE1 HIS 3 HE1 HIS 3 -0.348 9.083 -58.268 22 HE2 HIS 3 HE2 HIS 3 1.652 10.385 -57.489 23 H HIS 4 H HIS 4 5.433 5.288 -54.618 24 HA HIS 4 HA HIS 4 5.078 2.588 -53.806 25 HB2 HIS 4 2HB HIS 4 7.109 4.662 -52.937 26 HB3 HIS 4 3HB HIS 4 7.191 2.952 -52.514 27 HD1 HIS 4 HD1 HIS 4 8.612 5.193 -54.831 28 HD2 HIS 4 HD2 HIS 4 7.037 1.361 -55.153 29 HE1 HIS 4 HE1 HIS 4 9.572 4.245 -56.946 30 HE2 HIS 4 HE2 HIS 4 8.532 1.965 -57.170 31 H HIS 5 H HIS 5 3.959 1.811 -52.138 32 HA HIS 5 HA HIS 5 2.569 3.622 -50.403 33 HB2 HIS 5 2HB HIS 5 1.445 1.615 -49.520 34 HB3 HIS 5 3HB HIS 5 1.426 1.660 -51.278 35 HD1 HIS 5 HD1 HIS 5 3.256 -0.082 -48.441 36 HD2 HIS 5 HD2 HIS 5 2.455 -0.561 -52.491 37 HE1 HIS 5 HE1 HIS 5 4.086 -2.372 -49.021 38 HE2 HIS 5 HE2 HIS 5 3.561 -2.659 -51.464 39 H HIS 6 H HIS 6 2.443 3.535 -48.132 40 HA HIS 6 HA HIS 6 4.770 2.411 -46.705 41 HB2 HIS 6 2HB HIS 6 4.625 4.395 -45.166 42 HB3 HIS 6 3HB HIS 6 5.125 4.795 -46.804 43 HD1 HIS 6 HD1 HIS 6 3.960 6.738 -47.789 44 HD2 HIS 6 HD2 HIS 6 1.687 4.940 -44.814 45 HE1 HIS 6 HE1 HIS 6 1.920 8.177 -47.541 46 HE2 HIS 6 HE2 HIS 6 0.632 7.152 -45.639 47 H HIS 7 H HIS 7 4.312 1.961 -44.361 48 HA HIS 7 HA HIS 7 1.553 2.006 -43.522 49 HB2 HIS 7 2HB HIS 7 1.200 -0.357 -43.264 50 HB3 HIS 7 3HB HIS 7 1.639 -0.043 -44.937 51 HD1 HIS 7 HD1 HIS 7 2.387 -2.218 -42.195 52 HD2 HIS 7 HD2 HIS 7 4.536 -0.665 -45.394 53 HE1 HIS 7 HE1 HIS 7 4.398 -3.701 -42.436 54 HE2 HIS 7 HE2 HIS 7 5.742 -2.676 -44.295 55 H HIS 8 H HIS 8 1.432 2.325 -41.417 56 HA HIS 8 HA HIS 8 3.793 2.283 -39.760 57 HB2 HIS 8 2HB HIS 8 2.198 3.111 -37.986 58 HB3 HIS 8 3HB HIS 8 2.263 4.104 -39.438 59 HD1 HIS 8 HD1 HIS 8 0.111 4.403 -40.748 60 HD2 HIS 8 HD2 HIS 8 -0.227 1.573 -37.722 61 HE1 HIS 8 HE1 HIS 8 -2.326 3.827 -40.633 62 HE2 HIS 8 HE2 HIS 8 -2.485 2.014 -38.907 63 H SER 9 H SER 9 4.358 0.814 -38.206 64 HA SER 9 HA SER 9 2.428 -1.289 -37.486 65 HB2 SER 9 2HB SER 9 4.201 -3.013 -37.675 66 HB3 SER 9 3HB SER 9 3.840 -2.258 -39.227 67 HG SER 9 HG SER 9 6.042 -2.323 -39.048 68 H HIS 10 H HIS 10 2.252 -1.524 -35.359 69 HA HIS 10 HA HIS 10 4.579 -1.448 -33.638 70 HB2 HIS 10 2HB HIS 10 3.812 0.947 -33.760 71 HB3 HIS 10 3HB HIS 10 2.279 0.440 -33.059 72 HD1 HIS 10 HD1 HIS 10 2.307 -0.266 -30.541 73 HD2 HIS 10 HD2 HIS 10 5.953 1.121 -31.967 74 HE1 HIS 10 HE1 HIS 10 3.708 0.157 -28.503 75 HE2 HIS 10 HE2 HIS 10 5.951 0.848 -29.396 76 H MET 11 H MET 11 4.270 -2.535 -31.671 77 HA MET 11 HA MET 11 1.755 -4.085 -31.508 78 HB2 MET 11 2HB MET 11 3.727 -5.418 -32.119 79 HB3 MET 11 3HB MET 11 4.564 -4.867 -30.676 80 HG2 MET 11 2HG MET 11 2.897 -6.002 -29.286 81 HG3 MET 11 3HG MET 11 2.073 -6.560 -30.741 82 HE1 MET 11 3HE MET 11 5.339 -6.769 -28.578 83 HE2 MET 11 1HE MET 11 5.977 -6.276 -30.147 84 HE3 MET 11 2HE MET 11 6.329 -7.885 -29.516 85 H SER 12 H SER 12 0.782 -4.436 -29.501 86 HA SER 12 HA SER 12 2.030 -3.242 -27.109 87 HB2 SER 12 2HB SER 12 0.379 -1.608 -27.906 88 HB3 SER 12 3HB SER 12 -0.872 -2.850 -27.911 89 HG SER 12 HG SER 12 -0.872 -2.888 -25.727 90 H THR 13 H THR 13 2.529 -5.209 -26.214 91 HA THR 13 HA THR 13 0.278 -7.021 -25.586 92 HB THR 13 HB THR 13 1.967 -8.861 -25.446 93 HG1 THR 13 HG1 THR 13 4.027 -8.469 -26.381 94 HG21 THR 13 3HG2 THR 13 2.241 -9.149 -27.870 95 HG22 THR 13 1HG2 THR 13 1.812 -7.456 -28.123 96 HG23 THR 13 2HG2 THR 13 0.618 -8.583 -27.472 97 HA PRO 14 HA PRO 14 1.490 -5.864 -21.367 98 HB2 PRO 14 2HB PRO 14 -0.697 -6.906 -20.144 99 HB3 PRO 14 3HB PRO 14 -0.736 -5.359 -20.997 100 HG2 PRO 14 2HG PRO 14 -1.624 -8.065 -21.941 101 HG3 PRO 14 3HG PRO 14 -2.439 -6.497 -22.118 102 HD2 PRO 14 2HD PRO 14 -0.990 -7.641 -24.116 103 HD3 PRO 14 3HD PRO 14 -1.135 -5.882 -23.920 104 H LEU 15 H LEU 15 2.951 -7.040 -20.260 105 HA LEU 15 HA LEU 15 3.025 -9.925 -20.578 106 HB2 LEU 15 2HB LEU 15 5.192 -9.729 -19.294 107 HB3 LEU 15 3HB LEU 15 5.127 -8.919 -20.846 108 HG LEU 15 HG LEU 15 4.689 -6.762 -19.585 109 HD11 LEU 15 1HD1 LEU 15 5.525 -8.427 -17.206 110 HD12 LEU 15 2HD1 LEU 15 3.954 -7.666 -17.451 111 HD13 LEU 15 3HD1 LEU 15 5.388 -6.667 -17.230 112 HD21 LEU 15 3HD2 LEU 15 6.856 -7.269 -20.550 113 HD22 LEU 15 1HD2 LEU 15 7.304 -8.193 -19.115 114 HD23 LEU 15 2HD2 LEU 15 7.054 -6.450 -19.002 115 H THR 16 H THR 16 3.699 -11.242 -18.574 116 HA THR 16 HA THR 16 1.830 -10.590 -16.379 117 HB THR 16 HB THR 16 1.797 -13.031 -15.899 118 HG1 THR 16 HG1 THR 16 3.088 -14.350 -16.949 119 HG21 THR 16 3HG2 THR 16 0.040 -12.041 -17.290 120 HG22 THR 16 1HG2 THR 16 0.415 -13.679 -17.828 121 HG23 THR 16 2HG2 THR 16 1.026 -12.293 -18.731 122 H GLY 17 H GLY 17 2.421 -11.418 -14.222 123 HA2 GLY 17 2HA GLY 17 4.591 -12.432 -13.128 124 HA3 GLY 17 3HA GLY 17 5.262 -10.903 -13.675 125 H LYS 18 H LYS 18 4.672 -12.139 -10.928 126 HA LYS 18 HA LYS 18 3.494 -9.712 -9.785 127 HB2 LYS 18 2HB LYS 18 2.117 -11.143 -8.206 128 HB3 LYS 18 3HB LYS 18 1.561 -11.075 -9.873 129 HG2 LYS 18 2HG LYS 18 2.539 -13.264 -10.313 130 HG3 LYS 18 3HG LYS 18 3.162 -13.332 -8.664 131 HD2 LYS 18 2HD LYS 18 1.099 -14.650 -8.913 132 HD3 LYS 18 3HD LYS 18 0.886 -13.317 -7.779 133 HE2 LYS 18 2HE LYS 18 -0.241 -12.009 -9.497 134 HE3 LYS 18 3HE LYS 18 0.033 -13.289 -10.679 135 HZ1 LYS 18 3HZ LYS 18 -1.396 -14.737 -9.463 136 HZ2 LYS 18 1HZ LYS 18 -2.222 -13.284 -9.711 137 HZ3 LYS 18 2HZ LYS 18 -1.556 -13.636 -8.195 138 HA PRO 19 HA PRO 19 7.043 -10.897 -7.138 139 HB2 PRO 19 2HB PRO 19 8.256 -8.508 -7.091 140 HB3 PRO 19 3HB PRO 19 8.404 -9.582 -8.485 141 HG2 PRO 19 2HG PRO 19 6.691 -7.157 -8.137 142 HG3 PRO 19 3HG PRO 19 7.584 -7.700 -9.567 143 HD2 PRO 19 2HD PRO 19 4.859 -8.092 -9.125 144 HD3 PRO 19 3HD PRO 19 5.852 -9.009 -10.276 145 H GLY 20 H GLY 20 6.582 -11.017 -4.999 146 HA2 GLY 20 2HA GLY 20 4.743 -9.206 -3.723 147 HA3 GLY 20 3HA GLY 20 5.605 -10.530 -2.956 148 H ALA 21 H ALA 21 6.136 -7.256 -4.257 149 HA ALA 21 HA ALA 21 7.866 -6.671 -1.952 150 HB1 ALA 21 3HB ALA 21 9.580 -5.672 -3.363 151 HB2 ALA 21 1HB ALA 21 8.671 -6.112 -4.810 152 HB3 ALA 21 2HB ALA 21 9.354 -7.371 -3.779 153 H LEU 22 H LEU 22 8.506 -4.255 -1.999 154 HA LEU 22 HA LEU 22 6.309 -2.562 -3.022 155 HB2 LEU 22 2HB LEU 22 7.629 -2.355 -0.308 156 HB3 LEU 22 3HB LEU 22 6.486 -1.197 -0.956 157 HG LEU 22 HG LEU 22 5.887 -4.073 -0.240 158 HD11 LEU 22 1HD1 LEU 22 4.524 -3.097 1.539 159 HD12 LEU 22 2HD1 LEU 22 5.048 -1.480 1.066 160 HD13 LEU 22 3HD1 LEU 22 6.217 -2.637 1.706 161 HD21 LEU 22 3HD2 LEU 22 3.549 -3.499 -0.699 162 HD22 LEU 22 1HD2 LEU 22 4.546 -3.363 -2.146 163 HD23 LEU 22 2HD2 LEU 22 4.051 -1.909 -1.280 164 HA PRO 23 HA PRO 23 9.704 0.117 -4.372 165 HB2 PRO 23 2HB PRO 23 8.246 2.393 -4.774 166 HB3 PRO 23 3HB PRO 23 8.267 1.047 -5.920 167 HG2 PRO 23 2HG PRO 23 6.226 1.736 -3.838 168 HG3 PRO 23 3HG PRO 23 5.980 1.175 -5.503 169 HD2 PRO 23 2HD PRO 23 5.769 -0.468 -3.350 170 HD3 PRO 23 3HD PRO 23 6.322 -1.036 -4.939 171 H ALA 24 H ALA 24 10.969 1.794 -3.450 172 HA ALA 24 HA ALA 24 10.772 2.046 -0.630 173 HB1 ALA 24 3HB ALA 24 12.914 2.058 -1.817 174 HB2 ALA 24 1HB ALA 24 12.732 3.482 -0.794 175 HB3 ALA 24 2HB ALA 24 12.508 3.615 -2.538 176 H ASN 25 H ASN 25 9.981 4.257 -3.281 177 HA ASN 25 HA ASN 25 9.225 6.354 -1.385 178 HB2 ASN 25 2HB ASN 25 9.268 6.374 -4.412 179 HB3 ASN 25 3HB ASN 25 8.888 7.759 -3.392 180 HD21 ASN 25 1HD2 ASN 25 10.563 9.063 -3.861 181 HD22 ASN 25 2HD2 ASN 25 12.225 8.659 -3.612 182 H LEU 26 H LEU 26 7.460 4.914 -0.577 183 HA LEU 26 HA LEU 26 5.170 4.430 -2.213 184 HB2 LEU 26 2HB LEU 26 5.563 4.367 0.779 185 HB3 LEU 26 3HB LEU 26 4.049 3.945 0.002 186 HG LEU 26 HG LEU 26 6.678 2.522 -0.479 187 HD11 LEU 26 1HD1 LEU 26 5.866 2.168 1.806 188 HD12 LEU 26 2HD1 LEU 26 5.746 0.698 0.838 189 HD13 LEU 26 3HD1 LEU 26 4.302 1.654 1.172 190 HD21 LEU 26 3HD2 LEU 26 5.270 0.832 -1.583 191 HD22 LEU 26 1HD2 LEU 26 5.193 2.396 -2.396 192 HD23 LEU 26 2HD2 LEU 26 3.863 1.873 -1.363 193 H ASP 27 H ASP 27 6.115 7.055 -0.044 194 HA ASP 27 HA ASP 27 3.544 8.314 -0.053 195 HB2 ASP 27 2HB ASP 27 5.209 8.724 1.733 196 HB3 ASP 27 3HB ASP 27 6.241 9.547 0.563 197 H ASP 28 H ASP 28 6.287 8.393 -2.213 198 HA ASP 28 HA ASP 28 5.439 10.712 -3.670 199 HB2 ASP 28 2HB ASP 28 7.389 8.495 -4.316 200 HB3 ASP 28 3HB ASP 28 7.054 9.823 -5.427 201 H MET 29 H MET 29 4.384 7.470 -3.570 202 HA MET 29 HA MET 29 3.208 7.442 -6.212 203 HB2 MET 29 2HB MET 29 2.766 5.603 -3.843 204 HB3 MET 29 3HB MET 29 2.150 5.329 -5.469 205 HG2 MET 29 2HG MET 29 4.439 5.179 -6.314 206 HG3 MET 29 3HG MET 29 5.058 5.472 -4.690 207 HE1 MET 29 3HE MET 29 2.673 1.703 -5.881 208 HE2 MET 29 1HE MET 29 3.092 2.988 -7.013 209 HE3 MET 29 2HE MET 29 1.934 3.296 -5.718 210 H LYS 30 H LYS 30 1.130 7.902 -6.760 211 HA LYS 30 HA LYS 30 -0.387 9.641 -5.116 212 HB2 LYS 30 2HB LYS 30 -1.129 8.197 -7.671 213 HB3 LYS 30 3HB LYS 30 -2.098 9.464 -6.929 214 HG2 LYS 30 2HG LYS 30 -0.325 11.078 -7.272 215 HG3 LYS 30 3HG LYS 30 0.738 9.821 -7.902 216 HD2 LYS 30 2HD LYS 30 -1.898 10.585 -9.163 217 HD3 LYS 30 3HD LYS 30 -0.342 11.255 -9.651 218 HE2 LYS 30 2HE LYS 30 0.455 9.063 -10.289 219 HE3 LYS 30 3HE LYS 30 -1.017 8.310 -9.674 220 HZ1 LYS 30 3HZ LYS 30 -0.874 10.220 -11.946 221 HZ2 LYS 30 1HZ LYS 30 -2.281 9.486 -11.360 222 HZ3 LYS 30 2HZ LYS 30 -1.072 8.546 -12.077 223 H VAL 31 H VAL 31 -2.596 9.322 -4.346 224 HA VAL 31 HA VAL 31 -2.867 7.132 -2.651 225 HB VAL 31 HB VAL 31 -5.069 8.917 -3.720 226 HG11 VAL 31 1HG1 VAL 31 -6.339 8.265 -1.726 227 HG12 VAL 31 2HG1 VAL 31 -5.060 7.137 -1.273 228 HG13 VAL 31 3HG1 VAL 31 -5.994 6.867 -2.745 229 HG21 VAL 31 3HG2 VAL 31 -3.279 10.158 -2.606 230 HG22 VAL 31 1HG2 VAL 31 -3.416 9.108 -1.193 231 HG23 VAL 31 2HG2 VAL 31 -4.751 10.174 -1.634 232 H ALA 32 H ALA 32 -4.319 7.613 -5.864 233 HA ALA 32 HA ALA 32 -5.838 5.238 -5.941 234 HB1 ALA 32 3HB ALA 32 -5.942 5.581 -8.349 235 HB2 ALA 32 1HB ALA 32 -4.614 6.741 -8.259 236 HB3 ALA 32 2HB ALA 32 -6.162 7.112 -7.500 237 H GLU 33 H GLU 33 -2.448 5.866 -6.663 238 HA GLU 33 HA GLU 33 -1.888 3.332 -7.856 239 HB2 GLU 33 2HB GLU 33 0.017 5.234 -6.462 240 HB3 GLU 33 3HB GLU 33 0.473 3.909 -7.522 241 HG2 GLU 33 2HG GLU 33 -1.012 6.414 -8.287 242 HG3 GLU 33 3HG GLU 33 0.642 5.984 -8.714 243 H LEU 34 H LEU 34 -1.387 4.637 -4.574 244 HA LEU 34 HA LEU 34 -0.382 2.339 -3.350 245 HB2 LEU 34 2HB LEU 34 -2.141 4.510 -2.190 246 HB3 LEU 34 3HB LEU 34 -1.279 3.319 -1.234 247 HG LEU 34 HG LEU 34 0.015 5.402 -3.011 248 HD11 LEU 34 1HD1 LEU 34 0.727 6.458 -0.925 249 HD12 LEU 34 2HD1 LEU 34 -0.163 5.248 0.001 250 HD13 LEU 34 3HD1 LEU 34 -1.033 6.385 -1.028 251 HD21 LEU 34 3HD2 LEU 34 1.253 3.416 -1.095 252 HD22 LEU 34 1HD2 LEU 34 2.114 4.667 -1.993 253 HD23 LEU 34 2HD2 LEU 34 1.334 3.343 -2.858 254 H LYS 35 H LYS 35 -3.777 3.390 -3.709 255 HA LYS 35 HA LYS 35 -4.939 1.163 -2.427 256 HB2 LYS 35 2HB LYS 35 -6.068 3.021 -4.533 257 HB3 LYS 35 3HB LYS 35 -7.023 1.823 -3.670 258 HG2 LYS 35 2HG LYS 35 -6.368 2.948 -1.532 259 HG3 LYS 35 3HG LYS 35 -5.617 4.219 -2.499 260 HD2 LYS 35 2HD LYS 35 -8.536 3.427 -2.588 261 HD3 LYS 35 3HD LYS 35 -7.881 4.837 -1.757 262 HE2 LYS 35 2HE LYS 35 -7.102 5.741 -3.893 263 HE3 LYS 35 3HE LYS 35 -7.737 4.322 -4.727 264 HZ1 LYS 35 3HZ LYS 35 -9.257 6.186 -4.878 265 HZ2 LYS 35 1HZ LYS 35 -9.345 6.290 -3.190 266 HZ3 LYS 35 2HZ LYS 35 -9.955 4.930 -3.989 267 H GLN 36 H GLN 36 -3.881 1.647 -5.756 268 HA GLN 36 HA GLN 36 -5.005 -0.719 -6.848 269 HB2 GLN 36 2HB GLN 36 -4.033 1.210 -8.160 270 HB3 GLN 36 3HB GLN 36 -2.434 0.637 -7.711 271 HG2 GLN 36 2HG GLN 36 -2.957 -0.105 -9.939 272 HG3 GLN 36 3HG GLN 36 -2.903 -1.498 -8.860 273 HE21 GLN 36 1HE2 GLN 36 -4.170 -2.697 -10.309 274 HE22 GLN 36 2HE2 GLN 36 -5.866 -2.428 -10.475 275 H GLU 37 H GLU 37 -1.752 -0.026 -5.567 276 HA GLU 37 HA GLU 37 -0.622 -2.562 -5.673 277 HB2 GLU 37 2HB GLU 37 -0.247 -0.309 -3.694 278 HB3 GLU 37 3HB GLU 37 0.735 -1.766 -3.667 279 HG2 GLU 37 2HG GLU 37 0.515 0.067 -6.047 280 HG3 GLU 37 3HG GLU 37 1.774 0.189 -4.819 281 H LEU 38 H LEU 38 -2.907 -1.241 -3.352 282 HA LEU 38 HA LEU 38 -2.775 -3.391 -1.481 283 HB2 LEU 38 2HB LEU 38 -4.877 -1.298 -2.013 284 HB3 LEU 38 3HB LEU 38 -5.009 -2.472 -0.718 285 HG LEU 38 HG LEU 38 -2.778 -0.441 -0.966 286 HD11 LEU 38 1HD1 LEU 38 -4.921 0.646 -0.541 287 HD12 LEU 38 2HD1 LEU 38 -3.883 0.713 0.883 288 HD13 LEU 38 3HD1 LEU 38 -5.215 -0.442 0.818 289 HD21 LEU 38 3HD2 LEU 38 -2.279 -1.083 1.354 290 HD22 LEU 38 1HD2 LEU 38 -2.100 -2.443 0.246 291 HD23 LEU 38 2HD2 LEU 38 -3.527 -2.330 1.277 292 H LYS 39 H LYS 39 -5.334 -2.547 -3.844 293 HA LYS 39 HA LYS 39 -6.924 -4.782 -3.303 294 HB2 LYS 39 2HB LYS 39 -8.161 -4.209 -5.333 295 HB3 LYS 39 3HB LYS 39 -7.793 -2.779 -4.382 296 HG2 LYS 39 2HG LYS 39 -5.858 -2.358 -5.921 297 HG3 LYS 39 3HG LYS 39 -6.462 -3.674 -6.929 298 HD2 LYS 39 2HD LYS 39 -7.933 -1.123 -6.226 299 HD3 LYS 39 3HD LYS 39 -7.228 -1.530 -7.791 300 HE2 LYS 39 2HE LYS 39 -8.783 -3.442 -7.966 301 HE3 LYS 39 3HE LYS 39 -9.509 -2.973 -6.430 302 HZ1 LYS 39 3HZ LYS 39 -10.781 -2.181 -8.335 303 HZ2 LYS 39 1HZ LYS 39 -9.450 -1.288 -8.874 304 HZ3 LYS 39 2HZ LYS 39 -10.197 -0.896 -7.409 305 H LEU 40 H LEU 40 -4.292 -4.439 -5.653 306 HA LEU 40 HA LEU 40 -4.770 -6.849 -7.066 307 HB2 LEU 40 2HB LEU 40 -2.172 -5.374 -6.597 308 HB3 LEU 40 3HB LEU 40 -2.387 -6.674 -7.755 309 HG LEU 40 HG LEU 40 -3.758 -3.977 -7.849 310 HD11 LEU 40 1HD1 LEU 40 -2.389 -3.611 -9.852 311 HD12 LEU 40 2HD1 LEU 40 -1.580 -5.155 -9.581 312 HD13 LEU 40 3HD1 LEU 40 -1.392 -3.845 -8.415 313 HD21 LEU 40 3HD2 LEU 40 -4.616 -4.700 -10.024 314 HD22 LEU 40 1HD2 LEU 40 -5.197 -5.752 -8.733 315 HD23 LEU 40 2HD2 LEU 40 -3.894 -6.290 -9.792 316 H ARG 41 H ARG 41 -3.426 -6.246 -3.951 317 HA ARG 41 HA ARG 41 -2.571 -9.060 -3.700 318 HB2 ARG 41 2HB ARG 41 -1.680 -6.531 -2.342 319 HB3 ARG 41 3HB ARG 41 -1.453 -8.081 -1.540 320 HG2 ARG 41 2HG ARG 41 -0.070 -8.887 -3.322 321 HG3 ARG 41 3HG ARG 41 -0.436 -7.476 -4.315 322 HD2 ARG 41 2HD ARG 41 0.939 -7.267 -1.638 323 HD3 ARG 41 3HD ARG 41 1.827 -7.506 -3.142 324 HE ARG 41 HE ARG 41 0.010 -5.213 -2.873 325 HH11 ARG 41 1HH1 ARG 41 3.210 -6.438 -3.237 326 HH12 ARG 41 2HH1 ARG 41 3.862 -4.914 -3.723 327 HH21 ARG 41 1HH2 ARG 41 0.847 -3.278 -3.495 328 HH22 ARG 41 2HH2 ARG 41 2.517 -3.138 -3.915 329 H SER 42 H SER 42 -5.338 -7.956 -3.505 330 HA SER 42 HA SER 42 -7.230 -8.608 -2.430 331 HB2 SER 42 2HB SER 42 -6.098 -10.781 -2.106 332 HB3 SER 42 3HB SER 42 -5.411 -10.195 -0.594 333 HG SER 42 HG SER 42 -7.204 -10.732 0.334 334 H LEU 43 H LEU 43 -5.115 -6.512 -1.231 335 HA LEU 43 HA LEU 43 -6.147 -6.191 1.455 336 HB2 LEU 43 2HB LEU 43 -4.258 -4.530 -0.217 337 HB3 LEU 43 3HB LEU 43 -4.681 -4.149 1.441 338 HG LEU 43 HG LEU 43 -3.393 -6.767 0.659 339 HD11 LEU 43 1HD1 LEU 43 -1.908 -4.942 -0.015 340 HD12 LEU 43 2HD1 LEU 43 -1.257 -5.818 1.370 341 HD13 LEU 43 3HD1 LEU 43 -2.022 -4.245 1.602 342 HD21 LEU 43 3HD2 LEU 43 -2.783 -6.820 3.045 343 HD22 LEU 43 1HD2 LEU 43 -4.530 -6.767 2.807 344 HD23 LEU 43 2HD2 LEU 43 -3.662 -5.309 3.291 345 HA PRO 44 HA PRO 44 -9.515 -3.463 0.372 346 HB2 PRO 44 2HB PRO 44 -9.892 -2.228 2.760 347 HB3 PRO 44 3HB PRO 44 -10.359 -3.910 2.468 348 HG2 PRO 44 2HG PRO 44 -7.891 -2.836 3.795 349 HG3 PRO 44 3HG PRO 44 -8.948 -4.167 4.311 350 HD2 PRO 44 2HD PRO 44 -6.603 -4.612 3.032 351 HD3 PRO 44 3HD PRO 44 -8.018 -5.663 2.805 352 H VAL 45 H VAL 45 -9.823 -1.377 -0.321 353 HA VAL 45 HA VAL 45 -7.449 0.340 -0.296 354 HB VAL 45 HB VAL 45 -8.473 1.518 -2.170 355 HG11 VAL 45 1HG1 VAL 45 -8.548 -1.486 -2.492 356 HG12 VAL 45 2HG1 VAL 45 -7.128 -0.450 -2.652 357 HG13 VAL 45 3HG1 VAL 45 -8.453 -0.319 -3.808 358 HG21 VAL 45 3HG2 VAL 45 -10.821 1.375 -1.543 359 HG22 VAL 45 1HG2 VAL 45 -10.806 -0.371 -1.806 360 HG23 VAL 45 2HG2 VAL 45 -10.586 0.728 -3.168 361 H SER 46 H SER 46 -9.644 0.085 1.868 362 HA SER 46 HA SER 46 -10.666 2.816 1.977 363 HB2 SER 46 2HB SER 46 -12.171 0.953 2.600 364 HB3 SER 46 3HB SER 46 -11.086 0.527 3.924 365 HG SER 46 HG SER 46 -12.023 2.003 5.076 366 H GLY 47 H GLY 47 -8.754 4.019 2.317 367 HA2 GLY 47 2HA GLY 47 -8.080 4.393 5.064 368 HA3 GLY 47 3HA GLY 47 -6.788 3.557 4.221 369 H THR 48 H THR 48 -6.065 5.827 5.310 370 HA THR 48 HA THR 48 -6.272 8.023 3.382 371 HB THR 48 HB THR 48 -5.092 9.365 5.047 372 HG1 THR 48 HG1 THR 48 -4.408 8.394 7.006 373 HG21 THR 48 3HG2 THR 48 -7.265 7.672 6.306 374 HG22 THR 48 1HG2 THR 48 -7.514 9.123 5.331 375 HG23 THR 48 2HG2 THR 48 -6.715 9.239 6.899 376 H LYS 49 H LYS 49 -4.128 9.238 2.965 377 HA LYS 49 HA LYS 49 -2.460 7.832 1.335 378 HB2 LYS 49 2HB LYS 49 -2.488 10.279 1.471 379 HB3 LYS 49 3HB LYS 49 -1.696 10.215 3.041 380 HG2 LYS 49 2HG LYS 49 -0.028 10.766 1.456 381 HG3 LYS 49 3HG LYS 49 0.246 9.082 1.901 382 HD2 LYS 49 2HD LYS 49 -0.897 8.360 -0.150 383 HD3 LYS 49 3HD LYS 49 -1.181 10.048 -0.586 384 HE2 LYS 49 2HE LYS 49 1.477 8.636 -0.351 385 HE3 LYS 49 3HE LYS 49 0.724 9.267 -1.816 386 HZ1 LYS 49 3HZ LYS 49 2.348 10.820 -1.167 387 HZ2 LYS 49 1HZ LYS 49 1.855 10.804 0.450 388 HZ3 LYS 49 2HZ LYS 49 0.869 11.511 -0.729 389 H THR 50 H THR 50 -1.675 8.634 4.730 390 HA THR 50 HA THR 50 0.722 7.091 4.770 391 HB THR 50 HB THR 50 -0.927 8.047 7.129 392 HG1 THR 50 HG1 THR 50 1.152 9.574 6.878 393 HG21 THR 50 3HG2 THR 50 1.190 7.904 8.368 394 HG22 THR 50 1HG2 THR 50 1.982 7.239 6.940 395 HG23 THR 50 2HG2 THR 50 0.705 6.326 7.748 396 H GLU 51 H GLU 51 -2.593 6.440 5.872 397 HA GLU 51 HA GLU 51 -2.230 4.043 7.197 398 HB2 GLU 51 2HB GLU 51 -4.318 5.554 6.860 399 HB3 GLU 51 3HB GLU 51 -4.614 4.574 5.435 400 HG2 GLU 51 2HG GLU 51 -4.309 3.440 8.197 401 HG3 GLU 51 3HG GLU 51 -5.854 3.926 7.514 402 H LEU 52 H LEU 52 -2.913 4.548 3.731 403 HA LEU 52 HA LEU 52 -2.978 1.891 2.893 404 HB2 LEU 52 2HB LEU 52 -1.862 4.210 1.302 405 HB3 LEU 52 3HB LEU 52 -2.532 2.722 0.661 406 HG LEU 52 HG LEU 52 -4.076 4.885 2.107 407 HD11 LEU 52 1HD1 LEU 52 -3.382 5.546 -0.133 408 HD12 LEU 52 2HD1 LEU 52 -5.126 5.293 -0.056 409 HD13 LEU 52 3HD1 LEU 52 -4.091 4.071 -0.798 410 HD21 LEU 52 3HD2 LEU 52 -6.077 3.622 1.538 411 HD22 LEU 52 1HD2 LEU 52 -5.007 2.671 2.565 412 HD23 LEU 52 2HD2 LEU 52 -5.089 2.344 0.834 413 H ILE 53 H ILE 53 -0.212 4.111 3.076 414 HA ILE 53 HA ILE 53 1.799 2.453 2.091 415 HB ILE 53 HB ILE 53 1.986 4.570 4.249 416 HG12 ILE 53 2HG1 ILE 53 2.528 4.724 1.268 417 HG13 ILE 53 3HG1 ILE 53 1.100 5.362 2.075 418 HG21 ILE 53 1HG2 ILE 53 3.931 3.104 4.344 419 HG22 ILE 53 2HG2 ILE 53 4.382 4.685 3.708 420 HG23 ILE 53 3HG2 ILE 53 4.194 3.317 2.613 421 HD11 ILE 53 3HD1 ILE 53 2.542 6.905 3.342 422 HD12 ILE 53 1HD1 ILE 53 2.651 7.139 1.598 423 HD13 ILE 53 2HD1 ILE 53 3.938 6.293 2.454 424 H GLU 54 H GLU 54 0.834 2.924 5.503 425 HA GLU 54 HA GLU 54 2.631 0.973 6.516 426 HB2 GLU 54 2HB GLU 54 0.170 2.199 7.778 427 HB3 GLU 54 3HB GLU 54 1.342 1.204 8.634 428 HG2 GLU 54 2HG GLU 54 3.097 2.884 7.988 429 HG3 GLU 54 3HG GLU 54 1.799 3.905 7.377 430 H ARG 55 H ARG 55 -0.647 0.770 5.294 431 HA ARG 55 HA ARG 55 -1.245 -1.815 6.334 432 HB2 ARG 55 2HB ARG 55 -2.974 -0.246 5.470 433 HB3 ARG 55 3HB ARG 55 -2.358 -0.491 3.839 434 HG2 ARG 55 2HG ARG 55 -2.931 -2.878 3.998 435 HG3 ARG 55 3HG ARG 55 -3.566 -2.608 5.621 436 HD2 ARG 55 2HD ARG 55 -4.604 -1.342 3.084 437 HD3 ARG 55 3HD ARG 55 -5.358 -2.679 3.952 438 HE ARG 55 HE ARG 55 -5.211 0.121 4.846 439 HH11 ARG 55 1HH1 ARG 55 -6.388 -3.078 5.349 440 HH12 ARG 55 2HH1 ARG 55 -7.656 -2.562 6.392 441 HH21 ARG 55 1HH2 ARG 55 -6.850 0.767 6.142 442 HH22 ARG 55 2HH2 ARG 55 -7.918 -0.403 6.840 443 H LEU 56 H LEU 56 0.207 -0.680 3.304 444 HA LEU 56 HA LEU 56 0.591 -3.122 2.016 445 HB2 LEU 56 2HB LEU 56 2.225 -0.588 2.045 446 HB3 LEU 56 3HB LEU 56 2.688 -1.967 1.064 447 HG LEU 56 HG LEU 56 0.037 -0.525 0.820 448 HD11 LEU 56 1HD1 LEU 56 0.951 0.436 -1.239 449 HD12 LEU 56 2HD1 LEU 56 2.520 -0.290 -0.883 450 HD13 LEU 56 3HD1 LEU 56 1.862 0.957 0.180 451 HD21 LEU 56 3HD2 LEU 56 1.367 -2.606 -0.922 452 HD22 LEU 56 1HD2 LEU 56 -0.136 -1.763 -1.296 453 HD23 LEU 56 2HD2 LEU 56 -0.056 -2.847 0.091 454 H ARG 57 H ARG 57 2.754 -1.488 4.352 455 HA ARG 57 HA ARG 57 4.727 -3.495 4.440 456 HB2 ARG 57 2HB ARG 57 3.910 -1.647 6.691 457 HB3 ARG 57 3HB ARG 57 5.424 -2.531 6.576 458 HG2 ARG 57 2HG ARG 57 5.871 -1.219 4.447 459 HG3 ARG 57 3HG ARG 57 4.497 -0.207 4.902 460 HD2 ARG 57 2HD ARG 57 7.064 -0.632 6.436 461 HD3 ARG 57 3HD ARG 57 6.490 0.863 5.697 462 HE ARG 57 HE ARG 57 4.561 0.136 7.526 463 HH11 ARG 57 1HH1 ARG 57 7.929 0.825 7.658 464 HH12 ARG 57 2HH1 ARG 57 7.845 1.485 9.252 465 HH21 ARG 57 1HH2 ARG 57 4.467 0.966 9.588 466 HH22 ARG 57 2HH2 ARG 57 5.907 1.579 10.322 467 H ALA 58 H ALA 58 1.765 -3.075 6.366 468 HA ALA 58 HA ALA 58 2.129 -5.096 8.240 469 HB1 ALA 58 3HB ALA 58 -0.485 -4.254 6.978 470 HB2 ALA 58 1HB ALA 58 0.314 -3.441 8.325 471 HB3 ALA 58 2HB ALA 58 -0.286 -5.086 8.521 472 H TYR 59 H TYR 59 0.786 -5.324 4.962 473 HA TYR 59 HA TYR 59 0.236 -8.120 5.054 474 HB2 TYR 59 2HB TYR 59 -0.818 -6.598 3.429 475 HB3 TYR 59 3HB TYR 59 0.744 -6.312 2.673 476 HD1 TYR 59 HD2 TYR 59 -1.740 -8.999 3.392 477 HD2 TYR 59 HD1 TYR 59 1.492 -7.716 0.930 478 HE1 TYR 59 HE2 TYR 59 -2.135 -10.902 1.884 479 HE2 TYR 59 HE1 TYR 59 1.100 -9.615 -0.581 480 HH TYR 59 HH TYR 59 -1.711 -11.553 -0.417 481 H GLN 60 H GLN 60 2.909 -6.254 3.607 482 HA GLN 60 HA GLN 60 4.447 -8.399 2.688 483 HB2 GLN 60 2HB GLN 60 5.265 -5.636 3.602 484 HB3 GLN 60 3HB GLN 60 6.371 -6.765 2.828 485 HG2 GLN 60 2HG GLN 60 3.871 -5.583 1.632 486 HG3 GLN 60 3HG GLN 60 5.538 -5.179 1.217 487 HE21 GLN 60 1HE2 GLN 60 6.814 -6.790 0.174 488 HE22 GLN 60 2HE2 GLN 60 6.065 -8.049 -0.732 489 H ASP 61 H ASP 61 4.174 -7.064 5.886 490 HA ASP 61 HA ASP 61 6.495 -8.278 7.007 491 HB2 ASP 61 2HB ASP 61 5.452 -6.309 8.014 492 HB3 ASP 61 3HB ASP 61 3.972 -7.212 8.311 493 H GLN 62 H GLN 62 3.057 -9.202 6.921 494 HA GLN 62 HA GLN 62 3.501 -11.520 8.582 495 HB2 GLN 62 2HB GLN 62 1.108 -11.947 8.294 496 HB3 GLN 62 3HB GLN 62 1.418 -10.284 8.776 497 HG2 GLN 62 2HG GLN 62 1.182 -9.630 6.372 498 HG3 GLN 62 3HG GLN 62 0.673 -11.285 6.036 499 HE21 GLN 62 1HE2 GLN 62 -0.182 -8.285 7.572 500 HE22 GLN 62 2HE2 GLN 62 -1.851 -8.655 7.809 501 H ILE 63 H ILE 63 3.584 -10.935 5.162 502 HA ILE 63 HA ILE 63 3.247 -13.773 4.545 503 HB ILE 63 HB ILE 63 3.537 -13.200 2.210 504 HG12 ILE 63 2HG1 ILE 63 4.002 -10.343 3.117 505 HG13 ILE 63 3HG1 ILE 63 5.265 -11.425 2.539 506 HG21 ILE 63 1HG2 ILE 63 1.694 -11.260 3.613 507 HG22 ILE 63 2HG2 ILE 63 1.319 -12.930 3.188 508 HG23 ILE 63 3HG2 ILE 63 1.590 -11.738 1.918 509 HD11 ILE 63 3HD1 ILE 63 4.577 -9.894 0.800 510 HD12 ILE 63 1HD1 ILE 63 2.907 -10.445 0.945 511 HD13 ILE 63 2HD1 ILE 63 4.153 -11.551 0.364 512 H SER 64 H SER 64 5.838 -11.587 5.200 513 HA SER 64 HA SER 64 7.820 -13.413 4.003 514 HB2 SER 64 2HB SER 64 7.995 -11.023 3.386 515 HB3 SER 64 3HB SER 64 8.212 -10.609 5.083 516 HG SER 64 HG SER 64 10.080 -11.226 3.372 517 HA PRO 65 HA PRO 65 8.802 -15.149 8.012 518 HB2 PRO 65 2HB PRO 65 11.508 -15.481 6.795 519 HB3 PRO 65 3HB PRO 65 10.468 -16.679 7.576 520 HG2 PRO 65 2HG PRO 65 10.733 -16.651 4.930 521 HG3 PRO 65 3HG PRO 65 9.156 -16.972 5.678 522 HD2 PRO 65 2HD PRO 65 10.167 -14.458 4.389 523 HD3 PRO 65 3HD PRO 65 8.554 -15.201 4.304 524 H VAL 66 H VAL 66 9.211 -13.931 9.766 525 HA VAL 66 HA VAL 66 10.719 -11.525 9.670 526 HB VAL 66 HB VAL 66 10.439 -11.463 12.148 527 HG11 VAL 66 1HG1 VAL 66 8.728 -10.533 10.664 528 HG12 VAL 66 2HG1 VAL 66 7.997 -11.220 12.113 529 HG13 VAL 66 3HG1 VAL 66 7.927 -12.101 10.587 530 HG21 VAL 66 3HG2 VAL 66 10.549 -13.855 12.630 531 HG22 VAL 66 1HG2 VAL 66 9.044 -14.119 11.747 532 HG23 VAL 66 2HG2 VAL 66 9.040 -13.177 13.237 533 HA PRO 67 HA PRO 67 14.729 -13.548 9.998 534 HB2 PRO 67 2HB PRO 67 15.783 -10.790 10.073 535 HB3 PRO 67 3HB PRO 67 16.084 -12.077 8.901 536 HG2 PRO 67 2HG PRO 67 14.588 -9.937 8.271 537 HG3 PRO 67 3HG PRO 67 14.218 -11.554 7.639 538 HD2 PRO 67 2HD PRO 67 12.926 -10.072 9.916 539 HD3 PRO 67 3HD PRO 67 12.169 -11.016 8.613 540 H GLY 68 H GLY 68 14.556 -14.344 12.131 541 HA2 GLY 68 2HA GLY 68 15.391 -14.522 14.283 542 HA3 GLY 68 3HA GLY 68 16.152 -12.951 14.085 543 H ALA 69 H ALA 69 14.204 -11.190 13.782 544 HA ALA 69 HA ALA 69 12.566 -9.974 14.769 545 HB1 ALA 69 3HB ALA 69 11.150 -11.972 14.459 546 HB2 ALA 69 1HB ALA 69 10.717 -11.051 15.903 547 HB3 ALA 69 2HB ALA 69 11.643 -12.545 16.051 548 HA PRO 70 HA PRO 70 14.344 -8.608 18.612 549 HB2 PRO 70 2HB PRO 70 11.585 -7.671 19.258 550 HB3 PRO 70 3HB PRO 70 13.105 -6.772 19.248 551 HG2 PRO 70 2HG PRO 70 11.337 -6.438 17.292 552 HG3 PRO 70 3HG PRO 70 13.076 -6.491 16.934 553 HD2 PRO 70 2HD PRO 70 10.994 -8.614 16.555 554 HD3 PRO 70 3HD PRO 70 12.353 -8.170 15.500 555 H LYS 71 H LYS 71 14.574 -9.361 20.705 556 HA LYS 71 HA LYS 71 13.034 -11.681 21.442 557 HB2 LYS 71 2HB LYS 71 14.545 -11.668 23.495 558 HB3 LYS 71 3HB LYS 71 15.317 -11.890 21.936 559 HG2 LYS 71 2HG LYS 71 16.732 -10.437 23.096 560 HG3 LYS 71 3HG LYS 71 15.832 -9.392 22.001 561 HD2 LYS 71 2HD LYS 71 16.023 -8.364 24.191 562 HD3 LYS 71 3HD LYS 71 14.339 -8.763 23.855 563 HE2 LYS 71 2HE LYS 71 14.878 -9.335 26.149 564 HE3 LYS 71 3HE LYS 71 14.578 -10.808 25.228 565 HZ1 LYS 71 3HZ LYS 71 16.513 -11.005 26.665 566 HZ2 LYS 71 1HZ LYS 71 17.257 -9.707 25.880 567 HZ3 LYS 71 2HZ LYS 71 16.953 -11.142 25.040 568 H ALA 72 H ALA 72 11.619 -11.937 23.128 569 HA ALA 72 HA ALA 72 10.383 -9.488 24.139 570 HB1 ALA 72 3HB ALA 72 9.453 -12.356 24.350 571 HB2 ALA 72 1HB ALA 72 8.969 -11.208 23.102 572 HB3 ALA 72 2HB ALA 72 8.523 -10.922 24.783 573 HA PRO 73 HA PRO 73 12.196 -9.717 28.219 574 HB2 PRO 73 2HB PRO 73 9.544 -8.739 29.171 575 HB3 PRO 73 3HB PRO 73 11.152 -8.053 29.422 576 HG2 PRO 73 2HG PRO 73 9.444 -6.924 27.717 577 HG3 PRO 73 3HG PRO 73 11.177 -7.010 27.344 578 HD2 PRO 73 2HD PRO 73 8.924 -8.688 26.294 579 HD3 PRO 73 3HD PRO 73 10.337 -8.037 25.438 580 H ALA 74 H ALA 74 12.409 -11.854 28.795 581 HA ALA 74 HA ALA 74 10.183 -13.603 29.241 582 HB1 ALA 74 3HB ALA 74 12.328 -14.442 28.424 583 HB2 ALA 74 1HB ALA 74 11.868 -15.238 29.932 584 HB3 ALA 74 2HB ALA 74 13.098 -13.971 29.941 585 H ALA 75 H ALA 75 9.203 -14.203 31.116 586 HA ALA 75 HA ALA 75 9.719 -12.647 33.515 587 HB1 ALA 75 3HB ALA 75 7.648 -14.788 33.000 588 HB2 ALA 75 1HB ALA 75 7.416 -13.052 32.787 589 HB3 ALA 75 2HB ALA 75 7.703 -13.712 34.397 Start of MODEL 11 1 H1 MET 1 1H MET 1 10.424 -38.751 -49.815 2 H2 MET 1 2H MET 1 8.950 -38.084 -49.329 3 H3 MET 1 3H MET 1 9.788 -39.126 -48.296 4 HA MET 1 HA MET 1 11.593 -37.539 -48.096 5 HB2 MET 1 2HB MET 1 9.795 -35.685 -49.685 6 HB3 MET 1 3HB MET 1 11.390 -35.310 -49.049 7 HG2 MET 1 2HG MET 1 10.744 -37.278 -51.231 8 HG3 MET 1 3HG MET 1 11.513 -35.705 -51.422 9 HE1 MET 1 3HE MET 1 14.394 -38.241 -52.243 10 HE2 MET 1 1HE MET 1 13.483 -36.844 -52.818 11 HE3 MET 1 2HE MET 1 12.679 -38.403 -52.628 12 H GLY 2 H GLY 2 11.543 -36.008 -46.338 13 HA2 GLY 2 2HA GLY 2 9.708 -34.478 -45.224 14 HA3 GLY 2 3HA GLY 2 8.984 -36.039 -44.884 15 H HIS 3 H HIS 3 9.584 -34.348 -42.817 16 HA HIS 3 HA HIS 3 11.642 -35.850 -41.394 17 HB2 HIS 3 2HB HIS 3 11.791 -32.874 -41.858 18 HB3 HIS 3 3HB HIS 3 12.610 -33.648 -40.505 19 HD1 HIS 3 HD1 HIS 3 12.989 -32.883 -44.051 20 HD2 HIS 3 HD2 HIS 3 14.626 -35.584 -41.352 21 HE1 HIS 3 HE1 HIS 3 15.083 -33.737 -45.141 22 HE2 HIS 3 HE2 HIS 3 16.164 -35.176 -43.395 23 H HIS 4 H HIS 4 11.857 -34.732 -39.064 24 HA HIS 4 HA HIS 4 9.288 -33.902 -37.977 25 HB2 HIS 4 2HB HIS 4 9.422 -35.810 -36.253 26 HB3 HIS 4 3HB HIS 4 8.880 -36.232 -37.873 27 HD1 HIS 4 HD1 HIS 4 10.518 -37.632 -39.345 28 HD2 HIS 4 HD2 HIS 4 11.836 -36.977 -35.460 29 HE1 HIS 4 HE1 HIS 4 12.434 -39.211 -39.010 30 HE2 HIS 4 HE2 HIS 4 13.204 -38.820 -36.651 31 H HIS 5 H HIS 5 9.679 -32.365 -36.458 32 HA HIS 5 HA HIS 5 12.146 -32.486 -34.871 33 HB2 HIS 5 2HB HIS 5 12.735 -31.260 -36.923 34 HB3 HIS 5 3HB HIS 5 11.423 -30.127 -36.632 35 HD1 HIS 5 HD1 HIS 5 11.964 -28.120 -35.238 36 HD2 HIS 5 HD2 HIS 5 14.870 -31.076 -34.928 37 HE1 HIS 5 HE1 HIS 5 13.853 -27.076 -33.960 38 HE2 HIS 5 HE2 HIS 5 15.538 -28.914 -33.672 39 H HIS 6 H HIS 6 11.948 -31.675 -32.865 40 HA HIS 6 HA HIS 6 9.605 -29.995 -32.211 41 HB2 HIS 6 2HB HIS 6 11.176 -31.906 -30.454 42 HB3 HIS 6 3HB HIS 6 9.939 -30.806 -29.855 43 HD1 HIS 6 HD1 HIS 6 10.395 -34.100 -31.416 44 HD2 HIS 6 HD2 HIS 6 7.281 -31.429 -30.773 45 HE1 HIS 6 HE1 HIS 6 8.291 -35.426 -31.762 46 HE2 HIS 6 HE2 HIS 6 6.432 -33.839 -31.177 47 H HIS 7 H HIS 7 10.179 -28.708 -30.025 48 HA HIS 7 HA HIS 7 12.865 -27.514 -30.351 49 HB2 HIS 7 2HB HIS 7 11.919 -25.295 -29.846 50 HB3 HIS 7 3HB HIS 7 11.227 -25.983 -31.311 51 HD1 HIS 7 HD1 HIS 7 10.357 -25.053 -27.787 52 HD2 HIS 7 HD2 HIS 7 8.488 -26.518 -31.201 53 HE1 HIS 7 HE1 HIS 7 7.897 -24.862 -27.342 54 HE2 HIS 7 HE2 HIS 7 6.789 -25.881 -29.355 55 H HIS 8 H HIS 8 13.633 -26.329 -28.398 56 HA HIS 8 HA HIS 8 13.287 -28.021 -26.097 57 HB2 HIS 8 2HB HIS 8 14.981 -25.559 -26.549 58 HB3 HIS 8 3HB HIS 8 14.986 -26.481 -25.050 59 HD1 HIS 8 HD1 HIS 8 15.844 -29.010 -25.265 60 HD2 HIS 8 HD2 HIS 8 16.636 -26.531 -28.505 61 HE1 HIS 8 HE1 HIS 8 17.643 -30.170 -26.572 62 HE2 HIS 8 HE2 HIS 8 18.247 -28.549 -28.397 63 H SER 9 H SER 9 13.047 -27.125 -23.910 64 HA SER 9 HA SER 9 10.853 -25.204 -23.707 65 HB2 SER 9 2HB SER 9 10.837 -25.914 -21.303 66 HB3 SER 9 3HB SER 9 10.641 -27.262 -22.424 67 HG SER 9 HG SER 9 12.148 -27.818 -20.855 68 H HIS 10 H HIS 10 11.029 -23.620 -21.750 69 HA HIS 10 HA HIS 10 13.661 -22.301 -21.965 70 HB2 HIS 10 2HB HIS 10 10.916 -21.175 -21.424 71 HB3 HIS 10 3HB HIS 10 12.393 -20.234 -21.228 72 HD1 HIS 10 HD1 HIS 10 9.919 -21.171 -23.710 73 HD2 HIS 10 HD2 HIS 10 13.906 -20.019 -23.745 74 HE1 HIS 10 HE1 HIS 10 10.380 -20.426 -26.057 75 HE2 HIS 10 HE2 HIS 10 12.726 -19.523 -25.988 76 H MET 11 H MET 11 14.700 -23.425 -20.322 77 HA MET 11 HA MET 11 13.663 -23.070 -17.587 78 HB2 MET 11 2HB MET 11 15.851 -24.893 -18.619 79 HB3 MET 11 3HB MET 11 15.319 -24.795 -16.945 80 HG2 MET 11 2HG MET 11 13.676 -25.709 -19.300 81 HG3 MET 11 3HG MET 11 14.343 -26.722 -18.018 82 HE1 MET 11 3HE MET 11 11.274 -26.849 -18.848 83 HE2 MET 11 1HE MET 11 10.510 -26.886 -17.259 84 HE3 MET 11 2HE MET 11 11.982 -27.813 -17.551 85 H SER 12 H SER 12 14.536 -21.529 -16.333 86 HA SER 12 HA SER 12 17.162 -20.407 -17.117 87 HB2 SER 12 2HB SER 12 15.294 -18.833 -17.471 88 HB3 SER 12 3HB SER 12 14.851 -18.977 -15.770 89 HG SER 12 HG SER 12 16.127 -17.121 -16.179 90 H THR 13 H THR 13 18.098 -19.058 -15.189 91 HA THR 13 HA THR 13 18.133 -20.794 -12.796 92 HB THR 13 HB THR 13 20.378 -19.933 -12.333 93 HG1 THR 13 HG1 THR 13 20.962 -18.104 -13.215 94 HG21 THR 13 3HG2 THR 13 21.584 -20.920 -14.218 95 HG22 THR 13 1HG2 THR 13 20.128 -20.838 -15.210 96 HG23 THR 13 2HG2 THR 13 20.177 -21.899 -13.801 97 HA PRO 14 HA PRO 14 16.497 -17.356 -10.420 98 HB2 PRO 14 2HB PRO 14 17.818 -18.530 -8.062 99 HB3 PRO 14 3HB PRO 14 16.095 -18.323 -8.391 100 HG2 PRO 14 2HG PRO 14 17.256 -20.751 -8.401 101 HG3 PRO 14 3HG PRO 14 15.931 -20.343 -9.507 102 HD2 PRO 14 2HD PRO 14 18.886 -20.437 -10.045 103 HD3 PRO 14 3HD PRO 14 17.544 -21.047 -11.039 104 H LEU 15 H LEU 15 17.279 -15.708 -8.758 105 HA LEU 15 HA LEU 15 19.821 -14.640 -9.615 106 HB2 LEU 15 2HB LEU 15 17.909 -13.619 -7.507 107 HB3 LEU 15 3HB LEU 15 19.260 -12.729 -8.184 108 HG LEU 15 HG LEU 15 16.757 -13.581 -9.657 109 HD11 LEU 15 1HD1 LEU 15 16.448 -11.685 -8.124 110 HD12 LEU 15 2HD1 LEU 15 16.285 -11.207 -9.812 111 HD13 LEU 15 3HD1 LEU 15 17.765 -10.830 -8.929 112 HD21 LEU 15 3HD2 LEU 15 19.173 -12.078 -10.674 113 HD22 LEU 15 1HD2 LEU 15 17.669 -12.330 -11.563 114 HD23 LEU 15 2HD2 LEU 15 18.686 -13.708 -11.139 115 H THR 16 H THR 16 21.640 -14.236 -8.319 116 HA THR 16 HA THR 16 22.507 -16.220 -6.608 117 HB THR 16 HB THR 16 23.491 -13.365 -6.405 118 HG1 THR 16 HG1 THR 16 24.267 -15.337 -8.324 119 HG21 THR 16 3HG2 THR 16 24.890 -16.031 -6.075 120 HG22 THR 16 1HG2 THR 16 24.462 -14.915 -4.779 121 HG23 THR 16 2HG2 THR 16 25.667 -14.451 -5.979 122 H GLY 17 H GLY 17 21.219 -13.022 -5.655 123 HA2 GLY 17 2HA GLY 17 19.759 -13.928 -3.459 124 HA3 GLY 17 3HA GLY 17 21.350 -13.493 -2.858 125 H LYS 18 H LYS 18 18.891 -12.089 -5.055 126 HA LYS 18 HA LYS 18 19.475 -9.437 -3.943 127 HB2 LYS 18 2HB LYS 18 18.132 -10.396 -6.447 128 HB3 LYS 18 3HB LYS 18 17.745 -8.795 -5.834 129 HG2 LYS 18 2HG LYS 18 19.453 -8.586 -7.496 130 HG3 LYS 18 3HG LYS 18 20.157 -8.222 -5.922 131 HD2 LYS 18 2HD LYS 18 21.129 -10.482 -5.839 132 HD3 LYS 18 3HD LYS 18 20.420 -10.840 -7.417 133 HE2 LYS 18 2HE LYS 18 21.732 -8.979 -8.390 134 HE3 LYS 18 3HE LYS 18 22.484 -8.712 -6.818 135 HZ1 LYS 18 3HZ LYS 18 22.692 -11.182 -8.456 136 HZ2 LYS 18 1HZ LYS 18 23.388 -10.965 -6.928 137 HZ3 LYS 18 2HZ LYS 18 23.906 -10.032 -8.238 138 HA PRO 19 HA PRO 19 15.840 -9.701 -1.361 139 HB2 PRO 19 2HB PRO 19 15.787 -7.159 -0.455 140 HB3 PRO 19 3HB PRO 19 17.037 -8.307 0.042 141 HG2 PRO 19 2HG PRO 19 17.171 -6.154 -2.046 142 HG3 PRO 19 3HG PRO 19 18.360 -6.575 -0.798 143 HD2 PRO 19 2HD PRO 19 18.569 -7.400 -3.390 144 HD3 PRO 19 3HD PRO 19 19.209 -8.334 -2.023 145 H GLY 20 H GLY 20 13.847 -9.877 -2.223 146 HA2 GLY 20 2HA GLY 20 12.855 -7.777 -4.034 147 HA3 GLY 20 3HA GLY 20 12.200 -9.398 -3.880 148 H ALA 21 H ALA 21 11.418 -6.297 -3.362 149 HA ALA 21 HA ALA 21 9.304 -6.953 -1.514 150 HB1 ALA 21 3HB ALA 21 11.353 -4.921 -0.619 151 HB2 ALA 21 1HB ALA 21 11.209 -6.559 0.018 152 HB3 ALA 21 2HB ALA 21 9.895 -5.406 0.249 153 H LEU 22 H LEU 22 8.216 -4.693 -0.816 154 HA LEU 22 HA LEU 22 7.363 -3.442 -3.242 155 HB2 LEU 22 2HB LEU 22 6.803 -2.736 -0.350 156 HB3 LEU 22 3HB LEU 22 5.998 -2.006 -1.727 157 HG LEU 22 HG LEU 22 5.834 -4.930 -0.953 158 HD11 LEU 22 1HD1 LEU 22 3.513 -4.420 -0.353 159 HD12 LEU 22 2HD1 LEU 22 3.804 -2.711 -0.683 160 HD13 LEU 22 3HD1 LEU 22 4.658 -3.515 0.636 161 HD21 LEU 22 3HD2 LEU 22 4.079 -5.060 -2.661 162 HD22 LEU 22 1HD2 LEU 22 5.637 -4.618 -3.362 163 HD23 LEU 22 2HD2 LEU 22 4.399 -3.386 -3.117 164 HA PRO 23 HA PRO 23 10.047 0.094 -3.709 165 HB2 PRO 23 2HB PRO 23 7.552 1.751 -3.587 166 HB3 PRO 23 3HB PRO 23 8.862 1.779 -4.776 167 HG2 PRO 23 2HG PRO 23 6.545 0.612 -5.363 168 HG3 PRO 23 3HG PRO 23 8.078 -0.119 -5.878 169 HD2 PRO 23 2HD PRO 23 6.244 -0.924 -3.658 170 HD3 PRO 23 3HD PRO 23 7.233 -1.936 -4.730 171 H ALA 24 H ALA 24 11.237 1.155 -2.218 172 HA ALA 24 HA ALA 24 10.648 1.208 0.499 173 HB1 ALA 24 3HB ALA 24 12.910 1.384 -0.406 174 HB2 ALA 24 1HB ALA 24 12.578 2.689 0.733 175 HB3 ALA 24 2HB ALA 24 12.554 3.005 -1.004 176 H ASN 25 H ASN 25 10.282 3.833 -1.885 177 HA ASN 25 HA ASN 25 8.979 5.489 0.157 178 HB2 ASN 25 2HB ASN 25 10.048 6.136 -2.592 179 HB3 ASN 25 3HB ASN 25 9.063 7.267 -1.671 180 HD21 ASN 25 1HD2 ASN 25 10.090 6.678 0.902 181 HD22 ASN 25 2HD2 ASN 25 11.724 7.244 0.953 182 H LEU 26 H LEU 26 7.212 3.697 -0.060 183 HA LEU 26 HA LEU 26 5.275 3.933 -2.104 184 HB2 LEU 26 2HB LEU 26 4.917 3.289 0.834 185 HB3 LEU 26 3HB LEU 26 3.671 3.086 -0.385 186 HG LEU 26 HG LEU 26 6.313 1.607 -0.340 187 HD11 LEU 26 1HD1 LEU 26 4.994 -0.348 0.288 188 HD12 LEU 26 2HD1 LEU 26 3.535 0.642 0.359 189 HD13 LEU 26 3HD1 LEU 26 4.853 0.926 1.499 190 HD21 LEU 26 3HD2 LEU 26 3.889 1.250 -2.112 191 HD22 LEU 26 1HD2 LEU 26 5.334 0.236 -2.114 192 HD23 LEU 26 2HD2 LEU 26 5.443 1.927 -2.606 193 H ASP 27 H ASP 27 6.061 5.898 0.643 194 HA ASP 27 HA ASP 27 3.741 7.489 0.789 195 HB2 ASP 27 2HB ASP 27 5.220 9.085 2.009 196 HB3 ASP 27 3HB ASP 27 5.317 7.434 2.613 197 H ASP 28 H ASP 28 6.425 7.528 -1.404 198 HA ASP 28 HA ASP 28 5.941 10.218 -2.358 199 HB2 ASP 28 2HB ASP 28 8.217 9.199 -2.246 200 HB3 ASP 28 3HB ASP 28 7.733 8.063 -3.499 201 H MET 29 H MET 29 4.450 7.273 -2.878 202 HA MET 29 HA MET 29 3.845 7.657 -5.703 203 HB2 MET 29 2HB MET 29 2.842 5.577 -3.743 204 HB3 MET 29 3HB MET 29 2.552 5.568 -5.477 205 HG2 MET 29 2HG MET 29 4.929 5.300 -5.899 206 HG3 MET 29 3HG MET 29 5.262 5.381 -4.170 207 HE1 MET 29 3HE MET 29 2.245 3.562 -5.949 208 HE2 MET 29 1HE MET 29 2.907 1.943 -6.170 209 HE3 MET 29 2HE MET 29 3.590 3.304 -7.059 210 H LYS 30 H LYS 30 1.511 7.494 -6.410 211 HA LYS 30 HA LYS 30 -0.043 9.518 -5.026 212 HB2 LYS 30 2HB LYS 30 -0.655 7.978 -7.559 213 HB3 LYS 30 3HB LYS 30 -1.553 9.365 -6.963 214 HG2 LYS 30 2HG LYS 30 0.345 10.809 -7.308 215 HG3 LYS 30 3HG LYS 30 1.355 9.432 -7.751 216 HD2 LYS 30 2HD LYS 30 0.644 10.608 -9.750 217 HD3 LYS 30 3HD LYS 30 -0.104 9.012 -9.697 218 HE2 LYS 30 2HE LYS 30 -1.748 10.619 -10.405 219 HE3 LYS 30 3HE LYS 30 -2.163 10.063 -8.784 220 HZ1 LYS 30 3HZ LYS 30 -2.429 12.420 -8.893 221 HZ2 LYS 30 1HZ LYS 30 -0.867 12.631 -9.503 222 HZ3 LYS 30 2HZ LYS 30 -1.087 12.099 -7.916 223 H VAL 31 H VAL 31 -2.246 9.257 -4.374 224 HA VAL 31 HA VAL 31 -2.751 7.099 -2.708 225 HB VAL 31 HB VAL 31 -4.816 8.911 -3.987 226 HG11 VAL 31 1HG1 VAL 31 -5.864 6.940 -3.012 227 HG12 VAL 31 2HG1 VAL 31 -6.212 8.366 -2.032 228 HG13 VAL 31 3HG1 VAL 31 -4.995 7.204 -1.498 229 HG21 VAL 31 3HG2 VAL 31 -3.329 9.193 -1.366 230 HG22 VAL 31 1HG2 VAL 31 -4.617 10.255 -1.940 231 HG23 VAL 31 2HG2 VAL 31 -3.085 10.177 -2.810 232 H ALA 32 H ALA 32 -4.345 7.693 -5.861 233 HA ALA 32 HA ALA 32 -5.825 5.325 -5.959 234 HB1 ALA 32 3HB ALA 32 -4.754 6.949 -8.266 235 HB2 ALA 32 1HB ALA 32 -6.276 7.222 -7.417 236 HB3 ALA 32 2HB ALA 32 -6.043 5.750 -8.362 237 H GLU 33 H GLU 33 -2.459 5.880 -6.755 238 HA GLU 33 HA GLU 33 -2.095 3.429 -8.198 239 HB2 GLU 33 2HB GLU 33 0.011 5.156 -6.870 240 HB3 GLU 33 3HB GLU 33 0.280 3.947 -8.121 241 HG2 GLU 33 2HG GLU 33 -1.261 6.520 -8.429 242 HG3 GLU 33 3HG GLU 33 0.354 6.191 -9.050 243 H LEU 34 H LEU 34 -1.511 4.471 -4.855 244 HA LEU 34 HA LEU 34 -0.511 2.027 -3.849 245 HB2 LEU 34 2HB LEU 34 -2.167 4.143 -2.447 246 HB3 LEU 34 3HB LEU 34 -1.279 2.863 -1.640 247 HG LEU 34 HG LEU 34 -0.031 5.076 -3.283 248 HD11 LEU 34 1HD1 LEU 34 0.764 5.946 -1.137 249 HD12 LEU 34 2HD1 LEU 34 -0.137 4.691 -0.289 250 HD13 LEU 34 3HD1 LEU 34 -0.996 5.925 -1.208 251 HD21 LEU 34 3HD2 LEU 34 1.283 3.023 -3.349 252 HD22 LEU 34 1HD2 LEU 34 1.238 2.920 -1.588 253 HD23 LEU 34 2HD2 LEU 34 2.092 4.250 -2.374 254 H LYS 35 H LYS 35 -3.810 3.312 -4.095 255 HA LYS 35 HA LYS 35 -5.242 1.217 -2.951 256 HB2 LYS 35 2HB LYS 35 -6.004 3.019 -5.262 257 HB3 LYS 35 3HB LYS 35 -7.132 1.981 -4.399 258 HG2 LYS 35 2HG LYS 35 -6.834 3.220 -2.373 259 HG3 LYS 35 3HG LYS 35 -5.516 4.156 -3.080 260 HD2 LYS 35 2HD LYS 35 -7.589 5.454 -3.015 261 HD3 LYS 35 3HD LYS 35 -7.070 5.163 -4.675 262 HE2 LYS 35 2HE LYS 35 -8.690 3.321 -4.846 263 HE3 LYS 35 3HE LYS 35 -9.213 3.638 -3.192 264 HZ1 LYS 35 3HZ LYS 35 -9.902 5.855 -3.892 265 HZ2 LYS 35 1HZ LYS 35 -10.710 4.655 -4.765 266 HZ3 LYS 35 2HZ LYS 35 -9.444 5.517 -5.483 267 H GLN 36 H GLN 36 -4.113 1.578 -6.304 268 HA GLN 36 HA GLN 36 -5.218 -0.734 -7.412 269 HB2 GLN 36 2HB GLN 36 -4.034 1.029 -8.698 270 HB3 GLN 36 3HB GLN 36 -2.509 0.495 -8.011 271 HG2 GLN 36 2HG GLN 36 -2.675 -0.373 -10.222 272 HG3 GLN 36 3HG GLN 36 -2.860 -1.719 -9.098 273 HE21 GLN 36 1HE2 GLN 36 -3.935 -2.978 -10.624 274 HE22 GLN 36 2HE2 GLN 36 -5.555 -2.646 -11.116 275 H GLU 37 H GLU 37 -1.988 -0.348 -5.918 276 HA GLU 37 HA GLU 37 -1.187 -3.021 -6.007 277 HB2 GLU 37 2HB GLU 37 -0.463 -0.717 -4.217 278 HB3 GLU 37 3HB GLU 37 0.225 -2.309 -3.937 279 HG2 GLU 37 2HG GLU 37 0.441 -0.774 -6.523 280 HG3 GLU 37 3HG GLU 37 1.680 -0.822 -5.269 281 H LEU 38 H LEU 38 -3.153 -1.348 -3.589 282 HA LEU 38 HA LEU 38 -3.262 -3.448 -1.692 283 HB2 LEU 38 2HB LEU 38 -5.165 -1.179 -2.284 284 HB3 LEU 38 3HB LEU 38 -5.375 -2.278 -0.935 285 HG LEU 38 HG LEU 38 -2.935 -0.527 -1.300 286 HD11 LEU 38 1HD1 LEU 38 -3.918 0.903 0.428 287 HD12 LEU 38 2HD1 LEU 38 -5.390 -0.069 0.396 288 HD13 LEU 38 3HD1 LEU 38 -4.916 0.862 -1.026 289 HD21 LEU 38 3HD2 LEU 38 -2.563 -1.042 1.077 290 HD22 LEU 38 1HD2 LEU 38 -2.548 -2.499 0.083 291 HD23 LEU 38 2HD2 LEU 38 -3.963 -2.115 1.062 292 H LYS 39 H LYS 39 -5.685 -2.457 -4.136 293 HA LYS 39 HA LYS 39 -7.500 -4.528 -3.583 294 HB2 LYS 39 2HB LYS 39 -8.661 -3.865 -5.597 295 HB3 LYS 39 3HB LYS 39 -8.082 -2.432 -4.759 296 HG2 LYS 39 2HG LYS 39 -6.142 -2.382 -6.338 297 HG3 LYS 39 3HG LYS 39 -6.921 -3.684 -7.241 298 HD2 LYS 39 2HD LYS 39 -8.036 -0.917 -6.736 299 HD3 LYS 39 3HD LYS 39 -7.429 -1.541 -8.271 300 HE2 LYS 39 2HE LYS 39 -9.233 -3.251 -8.229 301 HE3 LYS 39 3HE LYS 39 -9.861 -2.512 -6.761 302 HZ1 LYS 39 3HZ LYS 39 -10.250 -0.474 -7.977 303 HZ2 LYS 39 1HZ LYS 39 -11.044 -1.762 -8.731 304 HZ3 LYS 39 2HZ LYS 39 -9.611 -1.151 -9.386 305 H LEU 40 H LEU 40 -4.716 -4.453 -5.736 306 HA LEU 40 HA LEU 40 -5.313 -6.847 -7.145 307 HB2 LEU 40 2HB LEU 40 -2.683 -5.471 -6.598 308 HB3 LEU 40 3HB LEU 40 -2.841 -6.879 -7.632 309 HG LEU 40 HG LEU 40 -4.143 -4.190 -8.117 310 HD11 LEU 40 1HD1 LEU 40 -1.835 -5.543 -9.517 311 HD12 LEU 40 2HD1 LEU 40 -1.726 -4.137 -8.456 312 HD13 LEU 40 3HD1 LEU 40 -2.585 -4.019 -9.991 313 HD21 LEU 40 3HD2 LEU 40 -4.800 -5.117 -10.280 314 HD22 LEU 40 1HD2 LEU 40 -5.506 -6.045 -8.958 315 HD23 LEU 40 2HD2 LEU 40 -4.111 -6.678 -9.832 316 H ARG 41 H ARG 41 -3.983 -6.256 -3.983 317 HA ARG 41 HA ARG 41 -3.355 -9.125 -3.672 318 HB2 ARG 41 2HB ARG 41 -2.276 -6.681 -2.258 319 HB3 ARG 41 3HB ARG 41 -2.019 -8.313 -1.649 320 HG2 ARG 41 2HG ARG 41 -0.907 -8.917 -3.758 321 HG3 ARG 41 3HG ARG 41 -1.135 -7.270 -4.344 322 HD2 ARG 41 2HD ARG 41 0.372 -7.917 -1.814 323 HD3 ARG 41 3HD ARG 41 1.152 -7.830 -3.392 324 HE ARG 41 HE ARG 41 0.026 -5.607 -1.871 325 HH11 ARG 41 1HH1 ARG 41 1.560 -6.713 -4.747 326 HH12 ARG 41 2HH1 ARG 41 2.134 -5.139 -5.174 327 HH21 ARG 41 1HH2 ARG 41 0.821 -3.593 -2.435 328 HH22 ARG 41 2HH2 ARG 41 1.738 -3.419 -3.890 329 H SER 42 H SER 42 -6.019 -7.742 -3.409 330 HA SER 42 HA SER 42 -7.925 -8.090 -2.212 331 HB2 SER 42 2HB SER 42 -7.144 -10.435 -2.157 332 HB3 SER 42 3HB SER 42 -6.269 -10.103 -0.667 333 HG SER 42 HG SER 42 -8.239 -9.699 0.361 334 H LEU 43 H LEU 43 -6.153 -5.983 -1.359 335 HA LEU 43 HA LEU 43 -6.622 -5.894 1.548 336 HB2 LEU 43 2HB LEU 43 -4.780 -4.318 -0.248 337 HB3 LEU 43 3HB LEU 43 -5.046 -3.910 1.436 338 HG LEU 43 HG LEU 43 -4.016 -6.616 0.576 339 HD11 LEU 43 1HD1 LEU 43 -1.769 -5.839 1.086 340 HD12 LEU 43 2HD1 LEU 43 -2.378 -4.218 1.417 341 HD13 LEU 43 3HD1 LEU 43 -2.463 -4.875 -0.217 342 HD21 LEU 43 3HD2 LEU 43 -5.001 -6.487 2.804 343 HD22 LEU 43 1HD2 LEU 43 -3.951 -5.125 3.201 344 HD23 LEU 43 2HD2 LEU 43 -3.254 -6.719 2.903 345 HA PRO 44 HA PRO 44 -9.935 -2.949 0.919 346 HB2 PRO 44 2HB PRO 44 -9.960 -1.834 3.423 347 HB3 PRO 44 3HB PRO 44 -10.667 -3.407 3.042 348 HG2 PRO 44 2HG PRO 44 -8.012 -2.771 4.273 349 HG3 PRO 44 3HG PRO 44 -9.173 -4.040 4.709 350 HD2 PRO 44 2HD PRO 44 -6.954 -4.549 3.243 351 HD3 PRO 44 3HD PRO 44 -8.471 -5.440 3.003 352 H VAL 45 H VAL 45 -9.985 -0.941 0.062 353 HA VAL 45 HA VAL 45 -7.563 0.724 0.314 354 HB VAL 45 HB VAL 45 -8.247 1.756 -1.814 355 HG11 VAL 45 1HG1 VAL 45 -7.902 -0.200 -3.267 356 HG12 VAL 45 2HG1 VAL 45 -8.204 -1.263 -1.892 357 HG13 VAL 45 3HG1 VAL 45 -6.801 -0.193 -1.888 358 HG21 VAL 45 3HG2 VAL 45 -10.671 1.578 -1.631 359 HG22 VAL 45 1HG2 VAL 45 -10.571 -0.183 -1.720 360 HG23 VAL 45 2HG2 VAL 45 -10.120 0.797 -3.114 361 H SER 46 H SER 46 -10.072 0.694 2.096 362 HA SER 46 HA SER 46 -11.373 3.230 1.618 363 HB2 SER 46 2HB SER 46 -11.616 1.272 3.912 364 HB3 SER 46 3HB SER 46 -12.632 2.693 3.696 365 HG SER 46 HG SER 46 -13.388 0.536 2.875 366 H GLY 47 H GLY 47 -8.388 2.971 2.574 367 HA2 GLY 47 2HA GLY 47 -8.593 4.580 5.042 368 HA3 GLY 47 3HA GLY 47 -7.188 3.657 4.544 369 H THR 48 H THR 48 -6.755 6.171 5.372 370 HA THR 48 HA THR 48 -6.681 8.077 3.207 371 HB THR 48 HB THR 48 -5.389 9.497 4.692 372 HG1 THR 48 HG1 THR 48 -5.087 8.268 6.928 373 HG21 THR 48 3HG2 THR 48 -7.797 9.349 5.155 374 HG22 THR 48 1HG2 THR 48 -6.881 9.619 6.635 375 HG23 THR 48 2HG2 THR 48 -7.503 8.013 6.266 376 H LYS 49 H LYS 49 -4.510 9.081 2.553 377 HA LYS 49 HA LYS 49 -2.853 7.459 1.139 378 HB2 LYS 49 2HB LYS 49 -2.717 9.869 0.978 379 HB3 LYS 49 3HB LYS 49 -2.131 9.993 2.629 380 HG2 LYS 49 2HG LYS 49 -0.276 10.327 1.189 381 HG3 LYS 49 3HG LYS 49 -0.085 8.736 1.918 382 HD2 LYS 49 2HD LYS 49 -0.942 7.692 -0.125 383 HD3 LYS 49 3HD LYS 49 -1.166 9.289 -0.849 384 HE2 LYS 49 2HE LYS 49 1.455 8.031 -0.020 385 HE3 LYS 49 3HE LYS 49 0.888 8.304 -1.667 386 HZ1 LYS 49 3HZ LYS 49 2.425 10.015 -1.102 387 HZ2 LYS 49 1HZ LYS 49 1.609 10.371 0.335 388 HZ3 LYS 49 2HZ LYS 49 0.889 10.714 -1.156 389 H THR 50 H THR 50 -2.236 8.488 4.498 390 HA THR 50 HA THR 50 0.154 7.067 4.893 391 HB THR 50 HB THR 50 -1.901 7.767 7.010 392 HG1 THR 50 HG1 THR 50 -0.610 9.697 7.222 393 HG21 THR 50 3HG2 THR 50 1.083 7.298 7.206 394 HG22 THR 50 1HG2 THR 50 -0.179 6.228 7.820 395 HG23 THR 50 2HG2 THR 50 0.041 7.829 8.525 396 H GLU 51 H GLU 51 -3.218 6.128 5.614 397 HA GLU 51 HA GLU 51 -2.577 3.689 6.903 398 HB2 GLU 51 2HB GLU 51 -5.142 4.454 5.487 399 HB3 GLU 51 3HB GLU 51 -4.954 3.138 6.644 400 HG2 GLU 51 2HG GLU 51 -4.296 4.820 8.355 401 HG3 GLU 51 3HG GLU 51 -4.663 6.086 7.186 402 H LEU 52 H LEU 52 -3.299 4.444 3.517 403 HA LEU 52 HA LEU 52 -3.394 1.808 2.522 404 HB2 LEU 52 2HB LEU 52 -2.306 4.214 1.047 405 HB3 LEU 52 3HB LEU 52 -2.985 2.759 0.341 406 HG LEU 52 HG LEU 52 -4.488 4.889 1.869 407 HD11 LEU 52 1HD1 LEU 52 -4.597 4.073 -1.033 408 HD12 LEU 52 2HD1 LEU 52 -3.881 5.550 -0.389 409 HD13 LEU 52 3HD1 LEU 52 -5.620 5.287 -0.261 410 HD21 LEU 52 3HD2 LEU 52 -5.584 2.366 0.619 411 HD22 LEU 52 1HD2 LEU 52 -6.513 3.637 1.411 412 HD23 LEU 52 2HD2 LEU 52 -5.396 2.648 2.348 413 H ILE 53 H ILE 53 -0.685 4.063 2.895 414 HA ILE 53 HA ILE 53 1.386 2.450 1.891 415 HB ILE 53 HB ILE 53 1.514 4.536 4.089 416 HG12 ILE 53 2HG1 ILE 53 2.104 4.896 1.141 417 HG13 ILE 53 3HG1 ILE 53 0.537 5.258 1.854 418 HG21 ILE 53 1HG2 ILE 53 3.884 4.757 3.496 419 HG22 ILE 53 2HG2 ILE 53 3.717 3.443 2.331 420 HG23 ILE 53 3HG2 ILE 53 3.509 3.127 4.054 421 HD11 ILE 53 3HD1 ILE 53 1.575 6.925 3.295 422 HD12 ILE 53 1HD1 ILE 53 1.881 7.260 1.590 423 HD13 ILE 53 2HD1 ILE 53 3.149 6.554 2.590 424 H GLU 54 H GLU 54 0.408 2.975 5.296 425 HA GLU 54 HA GLU 54 2.150 1.185 6.507 426 HB2 GLU 54 2HB GLU 54 -0.645 1.978 7.348 427 HB3 GLU 54 3HB GLU 54 0.506 1.148 8.386 428 HG2 GLU 54 2HG GLU 54 0.812 3.908 7.210 429 HG3 GLU 54 3HG GLU 54 0.458 3.511 8.891 430 H ARG 55 H ARG 55 -1.068 0.580 5.158 431 HA ARG 55 HA ARG 55 -1.347 -2.088 6.018 432 HB2 ARG 55 2HB ARG 55 -3.186 -0.645 5.204 433 HB3 ARG 55 3HB ARG 55 -2.532 -0.745 3.577 434 HG2 ARG 55 2HG ARG 55 -3.162 -2.974 3.319 435 HG3 ARG 55 3HG ARG 55 -3.286 -3.238 5.060 436 HD2 ARG 55 2HD ARG 55 -5.135 -1.481 3.433 437 HD3 ARG 55 3HD ARG 55 -5.498 -3.128 3.957 438 HE ARG 55 HE ARG 55 -4.928 -1.943 6.285 439 HH11 ARG 55 1HH1 ARG 55 -6.999 -0.921 3.712 440 HH12 ARG 55 2HH1 ARG 55 -8.065 -0.077 4.784 441 HH21 ARG 55 1HH2 ARG 55 -6.290 -0.869 7.617 442 HH22 ARG 55 2HH2 ARG 55 -7.667 -0.039 6.968 443 H LEU 56 H LEU 56 0.088 -0.713 3.066 444 HA LEU 56 HA LEU 56 0.731 -3.209 1.853 445 HB2 LEU 56 2HB LEU 56 1.845 -0.428 1.502 446 HB3 LEU 56 3HB LEU 56 2.441 -1.797 0.581 447 HG LEU 56 HG LEU 56 -0.406 -0.769 0.539 448 HD11 LEU 56 1HD1 LEU 56 1.098 0.780 -0.556 449 HD12 LEU 56 2HD1 LEU 56 0.131 -0.069 -1.759 450 HD13 LEU 56 3HD1 LEU 56 1.813 -0.530 -1.496 451 HD21 LEU 56 3HD2 LEU 56 -0.313 -3.175 0.169 452 HD22 LEU 56 1HD2 LEU 56 0.929 -2.959 -1.064 453 HD23 LEU 56 2HD2 LEU 56 -0.699 -2.339 -1.334 454 H ARG 57 H ARG 57 2.642 -0.980 3.881 455 HA ARG 57 HA ARG 57 5.064 -2.364 3.900 456 HB2 ARG 57 2HB ARG 57 3.835 -0.803 6.189 457 HB3 ARG 57 3HB ARG 57 5.537 -1.206 6.020 458 HG2 ARG 57 2HG ARG 57 5.733 0.212 4.083 459 HG3 ARG 57 3HG ARG 57 3.996 0.523 4.093 460 HD2 ARG 57 2HD ARG 57 5.043 2.429 5.070 461 HD3 ARG 57 3HD ARG 57 4.284 1.533 6.381 462 HE ARG 57 HE ARG 57 7.112 1.032 5.885 463 HH11 ARG 57 1HH1 ARG 57 4.723 2.615 7.815 464 HH12 ARG 57 2HH1 ARG 57 5.832 2.943 9.096 465 HH21 ARG 57 1HH2 ARG 57 8.522 1.492 7.514 466 HH22 ARG 57 2HH2 ARG 57 7.961 2.307 8.933 467 H ALA 58 H ALA 58 2.270 -2.718 6.068 468 HA ALA 58 HA ALA 58 3.397 -4.756 7.695 469 HB1 ALA 58 3HB ALA 58 1.142 -5.022 8.579 470 HB2 ALA 58 1HB ALA 58 0.496 -4.049 7.256 471 HB3 ALA 58 2HB ALA 58 1.572 -3.316 8.446 472 H TYR 59 H TYR 59 1.237 -4.870 4.860 473 HA TYR 59 HA TYR 59 0.825 -7.665 4.875 474 HB2 TYR 59 2HB TYR 59 -0.485 -5.971 3.537 475 HB3 TYR 59 3HB TYR 59 0.877 -5.887 2.426 476 HD1 TYR 59 HD2 TYR 59 -1.733 -8.152 3.790 477 HD2 TYR 59 HD1 TYR 59 1.172 -7.545 0.733 478 HE1 TYR 59 HE2 TYR 59 -2.645 -10.065 2.549 479 HE2 TYR 59 HE1 TYR 59 0.261 -9.461 -0.513 480 HH TYR 59 HH TYR 59 -2.724 -10.841 0.167 481 H GLN 60 H GLN 60 3.458 -5.691 3.712 482 HA GLN 60 HA GLN 60 4.773 -7.814 2.282 483 HB2 GLN 60 2HB GLN 60 5.005 -5.282 1.880 484 HB3 GLN 60 3HB GLN 60 6.065 -5.266 3.280 485 HG2 GLN 60 2HG GLN 60 6.537 -6.999 0.864 486 HG3 GLN 60 3HG GLN 60 7.194 -5.373 1.034 487 HE21 GLN 60 1HE2 GLN 60 8.501 -8.008 0.815 488 HE22 GLN 60 2HE2 GLN 60 9.538 -8.121 2.186 489 H ASP 61 H ASP 61 5.190 -6.248 5.464 490 HA ASP 61 HA ASP 61 7.441 -7.600 6.364 491 HB2 ASP 61 2HB ASP 61 6.625 -5.745 7.617 492 HB3 ASP 61 3HB ASP 61 5.055 -6.507 7.857 493 H GLN 62 H GLN 62 4.031 -8.607 6.649 494 HA GLN 62 HA GLN 62 4.537 -10.892 8.241 495 HB2 GLN 62 2HB GLN 62 2.233 -11.602 7.582 496 HB3 GLN 62 3HB GLN 62 2.337 -9.971 8.229 497 HG2 GLN 62 2HG GLN 62 2.328 -9.112 5.887 498 HG3 GLN 62 3HG GLN 62 2.039 -10.760 5.337 499 HE21 GLN 62 1HE2 GLN 62 0.716 -8.063 7.117 500 HE22 GLN 62 2HE2 GLN 62 -0.932 -8.577 7.039 501 H ILE 63 H ILE 63 4.863 -10.416 4.809 502 HA ILE 63 HA ILE 63 5.121 -13.323 4.397 503 HB ILE 63 HB ILE 63 5.103 -12.881 1.989 504 HG12 ILE 63 2HG1 ILE 63 4.717 -9.974 2.760 505 HG13 ILE 63 3HG1 ILE 63 6.165 -10.647 2.018 506 HG21 ILE 63 1HG2 ILE 63 2.824 -11.532 3.439 507 HG22 ILE 63 2HG2 ILE 63 2.988 -13.264 3.148 508 HG23 ILE 63 3HG2 ILE 63 2.775 -12.159 1.790 509 HD11 ILE 63 3HD1 ILE 63 3.429 -10.508 0.762 510 HD12 ILE 63 1HD1 ILE 63 4.873 -11.198 0.016 511 HD13 ILE 63 2HD1 ILE 63 4.811 -9.477 0.392 512 H SER 64 H SER 64 7.006 -10.495 4.764 513 HA SER 64 HA SER 64 9.248 -10.166 4.950 514 HB2 SER 64 2HB SER 64 9.390 -12.394 5.981 515 HB3 SER 64 3HB SER 64 9.521 -13.134 4.388 516 HG SER 64 HG SER 64 11.583 -12.770 4.494 517 HA PRO 65 HA PRO 65 10.653 -9.318 0.769 518 HB2 PRO 65 2HB PRO 65 13.402 -9.365 1.908 519 HB3 PRO 65 3HB PRO 65 12.571 -8.082 1.019 520 HG2 PRO 65 2HG PRO 65 12.968 -7.889 3.655 521 HG3 PRO 65 3HG PRO 65 11.470 -7.302 2.908 522 HD2 PRO 65 2HD PRO 65 11.958 -9.837 4.441 523 HD3 PRO 65 3HD PRO 65 10.560 -8.741 4.492 524 H VAL 66 H VAL 66 10.380 -11.144 -0.449 525 HA VAL 66 HA VAL 66 12.106 -13.465 0.030 526 HB VAL 66 HB VAL 66 10.565 -14.694 -1.472 527 HG11 VAL 66 1HG1 VAL 66 8.619 -14.681 0.049 528 HG12 VAL 66 2HG1 VAL 66 9.219 -13.194 0.786 529 HG13 VAL 66 3HG1 VAL 66 10.149 -14.687 0.928 530 HG21 VAL 66 3HG2 VAL 66 8.482 -13.654 -2.223 531 HG22 VAL 66 1HG2 VAL 66 9.874 -12.803 -2.893 532 HG23 VAL 66 2HG2 VAL 66 8.987 -12.110 -1.535 533 HA PRO 67 HA PRO 67 14.681 -12.707 -3.526 534 HB2 PRO 67 2HB PRO 67 15.432 -15.286 -4.072 535 HB3 PRO 67 3HB PRO 67 16.110 -14.332 -2.748 536 HG2 PRO 67 2HG PRO 67 13.934 -16.399 -2.674 537 HG3 PRO 67 3HG PRO 67 15.298 -16.170 -1.561 538 HD2 PRO 67 2HD PRO 67 12.818 -15.310 -0.958 539 HD3 PRO 67 3HD PRO 67 14.267 -14.415 -0.454 540 H GLY 68 H GLY 68 13.936 -12.219 -5.507 541 HA2 GLY 68 2HA GLY 68 13.339 -13.261 -7.707 542 HA3 GLY 68 3HA GLY 68 12.067 -14.103 -6.835 543 H ALA 69 H ALA 69 11.357 -11.804 -5.193 544 HA ALA 69 HA ALA 69 9.542 -10.456 -6.935 545 HB1 ALA 69 3HB ALA 69 10.324 -9.872 -4.072 546 HB2 ALA 69 1HB ALA 69 9.001 -10.911 -4.598 547 HB3 ALA 69 2HB ALA 69 8.938 -9.177 -4.914 548 HA PRO 70 HA PRO 70 11.515 -6.699 -8.364 549 HB2 PRO 70 2HB PRO 70 9.881 -5.217 -6.319 550 HB3 PRO 70 3HB PRO 70 10.175 -4.822 -8.020 551 HG2 PRO 70 2HG PRO 70 7.879 -5.947 -7.288 552 HG3 PRO 70 3HG PRO 70 8.682 -6.438 -8.790 553 HD2 PRO 70 2HD PRO 70 8.462 -7.888 -6.200 554 HD3 PRO 70 3HD PRO 70 8.593 -8.531 -7.848 555 H LYS 71 H LYS 71 13.597 -6.362 -7.857 556 HA LYS 71 HA LYS 71 14.738 -6.571 -5.314 557 HB2 LYS 71 2HB LYS 71 16.763 -5.547 -6.377 558 HB3 LYS 71 3HB LYS 71 16.086 -6.902 -7.268 559 HG2 LYS 71 2HG LYS 71 15.013 -5.354 -8.831 560 HG3 LYS 71 3HG LYS 71 15.674 -3.986 -7.932 561 HD2 LYS 71 2HD LYS 71 17.958 -4.785 -8.446 562 HD3 LYS 71 3HD LYS 71 17.264 -6.111 -9.382 563 HE2 LYS 71 2HE LYS 71 16.190 -4.485 -10.877 564 HE3 LYS 71 3HE LYS 71 16.910 -3.164 -9.957 565 HZ1 LYS 71 3HZ LYS 71 19.103 -4.004 -10.569 566 HZ2 LYS 71 1HZ LYS 71 18.182 -3.638 -11.938 567 HZ3 LYS 71 2HZ LYS 71 18.389 -5.248 -11.472 568 H ALA 72 H ALA 72 14.241 -5.285 -3.634 569 HA ALA 72 HA ALA 72 14.850 -2.463 -3.761 570 HB1 ALA 72 3HB ALA 72 12.644 -1.672 -3.051 571 HB2 ALA 72 1HB ALA 72 12.001 -3.308 -3.199 572 HB3 ALA 72 2HB ALA 72 12.571 -2.453 -4.631 573 HA PRO 73 HA PRO 73 15.637 -3.813 0.529 574 HB2 PRO 73 2HB PRO 73 17.581 -2.002 1.036 575 HB3 PRO 73 3HB PRO 73 17.897 -3.486 0.128 576 HG2 PRO 73 2HG PRO 73 17.416 -0.707 -0.897 577 HG3 PRO 73 3HG PRO 73 18.639 -1.888 -1.404 578 HD2 PRO 73 2HD PRO 73 16.320 -1.473 -2.776 579 HD3 PRO 73 3HD PRO 73 17.154 -3.038 -2.746 580 H ALA 74 H ALA 74 15.539 -2.550 2.601 581 HA ALA 74 HA ALA 74 13.240 -0.918 2.650 582 HB1 ALA 74 3HB ALA 74 15.323 -1.297 4.800 583 HB2 ALA 74 1HB ALA 74 13.915 -2.323 4.529 584 HB3 ALA 74 2HB ALA 74 13.699 -0.646 5.033 585 H ALA 75 H ALA 75 13.032 1.278 3.449 586 HA ALA 75 HA ALA 75 14.642 3.114 2.010 587 HB1 ALA 75 3HB ALA 75 12.617 3.657 4.187 588 HB2 ALA 75 1HB ALA 75 12.281 3.534 2.459 589 HB3 ALA 75 2HB ALA 75 13.277 4.854 3.072 Start of MODEL 12 1 H1 MET 1 1H MET 1 25.163 19.282 -55.949 2 H2 MET 1 2H MET 1 26.466 20.257 -56.409 3 H3 MET 1 3H MET 1 25.238 20.891 -55.436 4 HA MET 1 HA MET 1 27.049 18.686 -54.643 5 HB2 MET 1 2HB MET 1 28.133 20.338 -53.166 6 HB3 MET 1 3HB MET 1 28.301 20.768 -54.863 7 HG2 MET 1 2HG MET 1 26.494 22.398 -54.631 8 HG3 MET 1 3HG MET 1 26.327 21.971 -52.928 9 HE1 MET 1 3HE MET 1 26.567 24.607 -52.365 10 HE2 MET 1 1HE MET 1 26.768 24.937 -54.085 11 HE3 MET 1 2HE MET 1 27.926 25.582 -52.922 12 H GLY 2 H GLY 2 27.098 18.735 -52.081 13 HA2 GLY 2 2HA GLY 2 25.944 18.470 -50.095 14 HA3 GLY 2 3HA GLY 2 24.668 19.472 -50.760 15 H HIS 3 H HIS 3 25.768 16.539 -52.339 16 HA HIS 3 HA HIS 3 23.069 15.463 -52.200 17 HB2 HIS 3 2HB HIS 3 24.379 15.489 -54.325 18 HB3 HIS 3 3HB HIS 3 25.509 14.347 -53.609 19 HD1 HIS 3 HD1 HIS 3 25.049 11.998 -54.193 20 HD2 HIS 3 HD2 HIS 3 21.601 14.311 -54.316 21 HE1 HIS 3 HE1 HIS 3 23.233 10.452 -54.961 22 HE2 HIS 3 HE2 HIS 3 21.130 11.827 -54.854 23 H HIS 4 H HIS 4 25.339 15.418 -49.986 24 HA HIS 4 HA HIS 4 26.044 12.896 -49.221 25 HB2 HIS 4 2HB HIS 4 25.941 13.681 -46.877 26 HB3 HIS 4 3HB HIS 4 26.683 14.873 -47.941 27 HD1 HIS 4 HD1 HIS 4 23.626 14.279 -45.849 28 HD2 HIS 4 HD2 HIS 4 25.247 17.265 -48.244 29 HE1 HIS 4 HE1 HIS 4 22.238 16.323 -45.414 30 HE2 HIS 4 HE2 HIS 4 23.116 18.049 -47.016 31 H HIS 5 H HIS 5 25.120 11.130 -48.228 32 HA HIS 5 HA HIS 5 22.359 11.241 -47.322 33 HB2 HIS 5 2HB HIS 5 21.679 9.297 -48.755 34 HB3 HIS 5 3HB HIS 5 21.977 10.783 -49.650 35 HD1 HIS 5 HD1 HIS 5 23.036 7.269 -49.384 36 HD2 HIS 5 HD2 HIS 5 24.419 10.750 -51.182 37 HE1 HIS 5 HE1 HIS 5 24.729 6.526 -51.076 38 HE2 HIS 5 HE2 HIS 5 25.477 8.632 -52.216 39 H HIS 6 H HIS 6 22.896 10.637 -45.288 40 HA HIS 6 HA HIS 6 23.360 7.839 -44.836 41 HB2 HIS 6 2HB HIS 6 25.368 8.153 -43.371 42 HB3 HIS 6 3HB HIS 6 25.679 8.446 -45.075 43 HD1 HIS 6 HD1 HIS 6 26.735 10.627 -45.659 44 HD2 HIS 6 HD2 HIS 6 25.194 10.628 -41.803 45 HE1 HIS 6 HE1 HIS 6 27.507 12.777 -44.632 46 HE2 HIS 6 HE2 HIS 6 26.543 12.779 -42.313 47 H HIS 7 H HIS 7 22.255 7.216 -43.082 48 HA HIS 7 HA HIS 7 22.050 8.683 -40.672 49 HB2 HIS 7 2HB HIS 7 19.711 9.376 -40.737 50 HB3 HIS 7 3HB HIS 7 20.598 10.146 -42.048 51 HD1 HIS 7 HD1 HIS 7 17.577 8.306 -41.389 52 HD2 HIS 7 HD2 HIS 7 20.164 8.692 -44.617 53 HE1 HIS 7 HE1 HIS 7 16.280 7.520 -43.389 54 HE2 HIS 7 HE2 HIS 7 17.864 7.748 -45.326 55 H HIS 8 H HIS 8 21.282 7.405 -39.031 56 HA HIS 8 HA HIS 8 19.488 5.214 -39.466 57 HB2 HIS 8 2HB HIS 8 21.497 4.148 -40.339 58 HB3 HIS 8 3HB HIS 8 22.393 4.578 -38.887 59 HD1 HIS 8 HD1 HIS 8 22.634 2.691 -37.325 60 HD2 HIS 8 HD2 HIS 8 19.126 2.408 -39.540 61 HE1 HIS 8 HE1 HIS 8 21.531 0.564 -36.572 62 HE2 HIS 8 HE2 HIS 8 19.344 0.499 -37.808 63 H SER 9 H SER 9 18.241 5.434 -37.724 64 HA SER 9 HA SER 9 19.403 6.173 -35.135 65 HB2 SER 9 2HB SER 9 16.505 5.907 -35.990 66 HB3 SER 9 3HB SER 9 17.043 6.429 -34.393 67 HG SER 9 HG SER 9 16.618 7.944 -36.461 68 H HIS 10 H HIS 10 19.174 4.917 -33.259 69 HA HIS 10 HA HIS 10 18.670 2.056 -33.751 70 HB2 HIS 10 2HB HIS 10 20.125 3.465 -31.500 71 HB3 HIS 10 3HB HIS 10 19.840 1.728 -31.551 72 HD1 HIS 10 HD1 HIS 10 21.283 0.334 -33.148 73 HD2 HIS 10 HD2 HIS 10 22.062 4.411 -33.334 74 HE1 HIS 10 HE1 HIS 10 23.417 0.552 -34.447 75 HE2 HIS 10 HE2 HIS 10 23.915 3.014 -34.476 76 H MET 11 H MET 11 17.459 0.794 -32.226 77 HA MET 11 HA MET 11 15.406 2.334 -30.761 78 HB2 MET 11 2HB MET 11 15.280 -0.484 -31.864 79 HB3 MET 11 3HB MET 11 13.998 0.299 -30.950 80 HG2 MET 11 2HG MET 11 13.798 1.998 -32.717 81 HG3 MET 11 3HG MET 11 15.056 1.167 -33.636 82 HE1 MET 11 3HE MET 11 11.781 0.368 -35.672 83 HE2 MET 11 1HE MET 11 13.419 1.015 -35.761 84 HE3 MET 11 2HE MET 11 12.183 1.867 -34.837 85 H SER 12 H SER 12 15.184 2.060 -28.601 86 HA SER 12 HA SER 12 16.759 -0.078 -27.299 87 HB2 SER 12 2HB SER 12 16.505 2.792 -26.345 88 HB3 SER 12 3HB SER 12 17.352 1.500 -25.494 89 HG SER 12 HG SER 12 18.113 2.974 -27.716 90 H THR 13 H THR 13 15.718 -1.232 -25.761 91 HA THR 13 HA THR 13 12.906 -0.602 -25.257 92 HB THR 13 HB THR 13 12.779 -2.852 -24.238 93 HG1 THR 13 HG1 THR 13 14.899 -3.073 -23.455 94 HG21 THR 13 3HG2 THR 13 13.150 -4.152 -26.284 95 HG22 THR 13 1HG2 THR 13 14.123 -2.841 -26.950 96 HG23 THR 13 2HG2 THR 13 12.401 -2.600 -26.652 97 HA PRO 14 HA PRO 14 13.543 0.940 -21.157 98 HB2 PRO 14 2HB PRO 14 11.189 0.352 -19.972 99 HB3 PRO 14 3HB PRO 14 11.319 1.556 -21.261 100 HG2 PRO 14 2HG PRO 14 10.445 -1.315 -21.432 101 HG3 PRO 14 3HG PRO 14 9.700 0.125 -22.156 102 HD2 PRO 14 2HD PRO 14 11.320 -1.548 -23.556 103 HD3 PRO 14 3HD PRO 14 11.222 0.192 -23.892 104 H LEU 15 H LEU 15 12.665 0.103 -18.736 105 HA LEU 15 HA LEU 15 13.512 -2.667 -18.328 106 HB2 LEU 15 2HB LEU 15 15.164 -2.107 -16.650 107 HB3 LEU 15 3HB LEU 15 15.586 -1.345 -18.170 108 HG LEU 15 HG LEU 15 14.226 0.130 -15.898 109 HD11 LEU 15 1HD1 LEU 15 16.415 1.053 -15.342 110 HD12 LEU 15 2HD1 LEU 15 17.168 0.023 -16.561 111 HD13 LEU 15 3HD1 LEU 15 16.400 -0.702 -15.148 112 HD21 LEU 15 3HD2 LEU 15 13.944 1.185 -18.081 113 HD22 LEU 15 1HD2 LEU 15 15.685 1.121 -18.354 114 HD23 LEU 15 2HD2 LEU 15 15.031 2.136 -17.068 115 H THR 16 H THR 16 13.570 -2.864 -15.631 116 HA THR 16 HA THR 16 10.806 -2.547 -14.906 117 HB THR 16 HB THR 16 11.421 -3.561 -12.749 118 HG1 THR 16 HG1 THR 16 13.807 -4.280 -12.767 119 HG21 THR 16 3HG2 THR 16 11.032 -5.053 -14.657 120 HG22 THR 16 1HG2 THR 16 12.269 -5.713 -13.584 121 HG23 THR 16 2HG2 THR 16 12.738 -4.942 -15.100 122 H GLY 17 H GLY 17 13.812 -1.283 -13.434 123 HA2 GLY 17 2HA GLY 17 14.228 0.654 -12.262 124 HA3 GLY 17 3HA GLY 17 12.732 1.304 -12.912 125 H LYS 18 H LYS 18 12.668 -1.688 -11.157 126 HA LYS 18 HA LYS 18 11.693 -0.394 -8.716 127 HB2 LYS 18 2HB LYS 18 10.051 -2.214 -10.482 128 HB3 LYS 18 3HB LYS 18 9.671 -1.957 -8.786 129 HG2 LYS 18 2HG LYS 18 9.311 0.400 -9.183 130 HG3 LYS 18 3HG LYS 18 9.805 0.220 -10.867 131 HD2 LYS 18 2HD LYS 18 7.333 0.323 -10.542 132 HD3 LYS 18 3HD LYS 18 7.886 -1.138 -11.357 133 HE2 LYS 18 2HE LYS 18 7.460 -1.120 -8.384 134 HE3 LYS 18 3HE LYS 18 6.096 -1.319 -9.482 135 HZ1 LYS 18 3HZ LYS 18 7.108 -3.274 -10.403 136 HZ2 LYS 18 1HZ LYS 18 7.045 -3.444 -8.722 137 HZ3 LYS 18 2HZ LYS 18 8.506 -3.064 -9.476 138 HA PRO 19 HA PRO 19 13.526 -4.019 -6.773 139 HB2 PRO 19 2HB PRO 19 11.698 -3.607 -4.510 140 HB3 PRO 19 3HB PRO 19 13.454 -3.430 -4.573 141 HG2 PRO 19 2HG PRO 19 11.801 -1.308 -4.324 142 HG3 PRO 19 3HG PRO 19 13.344 -1.213 -5.189 143 HD2 PRO 19 2HD PRO 19 10.567 -1.501 -6.296 144 HD3 PRO 19 3HD PRO 19 11.901 -0.467 -6.856 145 H GLY 20 H GLY 20 12.939 -6.167 -6.004 146 HA2 GLY 20 2HA GLY 20 10.857 -7.412 -7.398 147 HA3 GLY 20 3HA GLY 20 11.711 -8.113 -6.031 148 H ALA 21 H ALA 21 10.963 -6.479 -3.961 149 HA ALA 21 HA ALA 21 8.166 -7.211 -3.587 150 HB1 ALA 21 3HB ALA 21 10.146 -6.002 -1.650 151 HB2 ALA 21 1HB ALA 21 9.823 -7.724 -1.849 152 HB3 ALA 21 2HB ALA 21 8.557 -6.656 -1.244 153 H LEU 22 H LEU 22 7.330 -5.295 -1.761 154 HA LEU 22 HA LEU 22 6.421 -3.188 -3.409 155 HB2 LEU 22 2HB LEU 22 6.404 -3.406 -0.392 156 HB3 LEU 22 3HB LEU 22 5.489 -2.235 -1.327 157 HG LEU 22 HG LEU 22 5.110 -5.238 -1.397 158 HD11 LEU 22 1HD1 LEU 22 2.950 -4.761 -0.342 159 HD12 LEU 22 2HD1 LEU 22 3.382 -3.055 -0.232 160 HD13 LEU 22 3HD1 LEU 22 4.302 -4.257 0.672 161 HD21 LEU 22 3HD2 LEU 22 3.158 -4.761 -2.805 162 HD22 LEU 22 1HD2 LEU 22 4.657 -4.241 -3.577 163 HD23 LEU 22 2HD2 LEU 22 3.591 -3.051 -2.829 164 HA PRO 23 HA PRO 23 10.041 -0.642 -3.406 165 HB2 PRO 23 2HB PRO 23 8.229 1.589 -4.120 166 HB3 PRO 23 3HB PRO 23 9.572 0.895 -5.032 167 HG2 PRO 23 2HG PRO 23 7.019 0.489 -5.756 168 HG3 PRO 23 3HG PRO 23 8.254 -0.766 -5.960 169 HD2 PRO 23 2HD PRO 23 6.140 -0.514 -3.853 170 HD3 PRO 23 3HD PRO 23 6.716 -1.962 -4.706 171 H ALA 24 H ALA 24 10.988 1.251 -2.419 172 HA ALA 24 HA ALA 24 9.858 1.905 0.182 173 HB1 ALA 24 3HB ALA 24 12.247 1.391 -0.017 174 HB2 ALA 24 1HB ALA 24 11.988 3.023 0.597 175 HB3 ALA 24 2HB ALA 24 12.459 2.779 -1.084 176 H ASN 25 H ASN 25 8.912 2.951 -2.586 177 HA ASN 25 HA ASN 25 9.103 5.850 -2.111 178 HB2 ASN 25 2HB ASN 25 8.176 4.364 -4.585 179 HB3 ASN 25 3HB ASN 25 8.433 6.102 -4.447 180 HD21 ASN 25 1HD2 ASN 25 10.513 6.900 -4.463 181 HD22 ASN 25 2HD2 ASN 25 11.879 5.935 -4.890 182 H LEU 26 H LEU 26 7.125 3.611 -1.014 183 HA LEU 26 HA LEU 26 4.574 4.038 -2.079 184 HB2 LEU 26 2HB LEU 26 5.230 3.342 0.787 185 HB3 LEU 26 3HB LEU 26 3.706 3.047 -0.030 186 HG LEU 26 HG LEU 26 6.352 1.724 -0.660 187 HD11 LEU 26 1HD1 LEU 26 5.356 0.891 1.392 188 HD12 LEU 26 2HD1 LEU 26 5.248 -0.322 0.117 189 HD13 LEU 26 3HD1 LEU 26 3.822 0.619 0.560 190 HD21 LEU 26 3HD2 LEU 26 5.118 0.357 -2.259 191 HD22 LEU 26 1HD2 LEU 26 5.032 2.063 -2.696 192 HD23 LEU 26 2HD2 LEU 26 3.646 1.278 -1.934 193 H ASP 27 H ASP 27 6.379 5.932 0.228 194 HA ASP 27 HA ASP 27 4.341 7.582 1.229 195 HB2 ASP 27 2HB ASP 27 7.235 8.305 0.670 196 HB3 ASP 27 3HB ASP 27 6.143 9.172 1.747 197 H ASP 28 H ASP 28 6.527 8.135 -1.552 198 HA ASP 28 HA ASP 28 5.168 10.502 -2.420 199 HB2 ASP 28 2HB ASP 28 7.197 8.740 -3.821 200 HB3 ASP 28 3HB ASP 28 6.616 10.280 -4.449 201 H MET 29 H MET 29 4.946 7.089 -3.242 202 HA MET 29 HA MET 29 3.495 7.252 -5.622 203 HB2 MET 29 2HB MET 29 3.439 5.157 -3.443 204 HB3 MET 29 3HB MET 29 2.586 4.980 -4.972 205 HG2 MET 29 2HG MET 29 4.691 5.139 -6.185 206 HG3 MET 29 3HG MET 29 5.561 5.343 -4.667 207 HE1 MET 29 3HE MET 29 2.488 2.947 -5.294 208 HE2 MET 29 1HE MET 29 3.307 1.468 -5.797 209 HE3 MET 29 2HE MET 29 3.356 2.898 -6.830 210 H LYS 30 H LYS 30 1.515 7.886 -6.096 211 HA LYS 30 HA LYS 30 0.035 9.317 -4.142 212 HB2 LYS 30 2HB LYS 30 -0.556 8.697 -7.037 213 HB3 LYS 30 3HB LYS 30 -1.442 9.863 -6.064 214 HG2 LYS 30 2HG LYS 30 0.547 11.216 -5.791 215 HG3 LYS 30 3HG LYS 30 1.517 10.007 -6.631 216 HD2 LYS 30 2HD LYS 30 1.027 11.844 -8.125 217 HD3 LYS 30 3HD LYS 30 0.193 10.391 -8.676 218 HE2 LYS 30 2HE LYS 30 -1.896 11.186 -7.778 219 HE3 LYS 30 3HE LYS 30 -1.098 12.565 -7.022 220 HZ1 LYS 30 3HZ LYS 30 -2.200 13.207 -9.065 221 HZ2 LYS 30 1HZ LYS 30 -1.306 12.070 -9.945 222 HZ3 LYS 30 2HZ LYS 30 -0.524 13.385 -9.225 223 H VAL 31 H VAL 31 -2.415 9.176 -4.064 224 HA VAL 31 HA VAL 31 -3.111 6.953 -2.587 225 HB VAL 31 HB VAL 31 -5.058 8.712 -4.096 226 HG11 VAL 31 1HG1 VAL 31 -6.643 8.128 -2.319 227 HG12 VAL 31 2HG1 VAL 31 -5.450 7.046 -1.605 228 HG13 VAL 31 3HG1 VAL 31 -6.111 6.696 -3.203 229 HG21 VAL 31 3HG2 VAL 31 -3.525 10.058 -2.763 230 HG22 VAL 31 1HG2 VAL 31 -3.866 9.071 -1.342 231 HG23 VAL 31 2HG2 VAL 31 -5.137 10.068 -2.050 232 H ALA 32 H ALA 32 -4.198 7.570 -5.969 233 HA ALA 32 HA ALA 32 -5.593 5.143 -6.275 234 HB1 ALA 32 3HB ALA 32 -5.508 5.587 -8.672 235 HB2 ALA 32 1HB ALA 32 -4.261 6.809 -8.409 236 HB3 ALA 32 2HB ALA 32 -5.887 7.056 -7.771 237 H GLU 33 H GLU 33 -2.236 5.984 -6.978 238 HA GLU 33 HA GLU 33 -1.388 3.611 -8.183 239 HB2 GLU 33 2HB GLU 33 0.027 5.702 -6.536 240 HB3 GLU 33 3HB GLU 33 0.892 4.306 -7.159 241 HG2 GLU 33 2HG GLU 33 1.053 6.413 -8.526 242 HG3 GLU 33 3HG GLU 33 0.567 4.963 -9.398 243 H LEU 34 H LEU 34 -1.384 4.506 -4.731 244 HA LEU 34 HA LEU 34 -0.366 2.056 -3.737 245 HB2 LEU 34 2HB LEU 34 -2.194 4.057 -2.387 246 HB3 LEU 34 3HB LEU 34 -1.315 2.778 -1.568 247 HG LEU 34 HG LEU 34 -0.044 5.102 -3.035 248 HD11 LEU 34 1HD1 LEU 34 0.579 5.916 -0.826 249 HD12 LEU 34 2HD1 LEU 34 -0.291 4.577 -0.073 250 HD13 LEU 34 3HD1 LEU 34 -1.177 5.804 -0.981 251 HD21 LEU 34 3HD2 LEU 34 1.207 2.948 -1.328 252 HD22 LEU 34 1HD2 LEU 34 2.045 4.315 -2.061 253 HD23 LEU 34 2HD2 LEU 34 1.330 3.070 -3.083 254 H LYS 35 H LYS 35 -3.693 3.232 -4.145 255 HA LYS 35 HA LYS 35 -5.040 0.990 -3.126 256 HB2 LYS 35 2HB LYS 35 -5.886 3.042 -5.180 257 HB3 LYS 35 3HB LYS 35 -6.979 1.839 -4.504 258 HG2 LYS 35 2HG LYS 35 -6.778 2.763 -2.319 259 HG3 LYS 35 3HG LYS 35 -5.460 3.822 -2.820 260 HD2 LYS 35 2HD LYS 35 -7.555 5.061 -2.595 261 HD3 LYS 35 3HD LYS 35 -6.989 5.068 -4.262 262 HE2 LYS 35 2HE LYS 35 -8.994 3.042 -3.325 263 HE3 LYS 35 3HE LYS 35 -9.502 4.664 -3.782 264 HZ1 LYS 35 3HZ LYS 35 -8.529 4.314 -5.966 265 HZ2 LYS 35 1HZ LYS 35 -9.687 3.130 -5.631 266 HZ3 LYS 35 2HZ LYS 35 -8.042 2.756 -5.536 267 H GLN 36 H GLN 36 -3.628 1.559 -6.292 268 HA GLN 36 HA GLN 36 -4.874 -0.530 -7.707 269 HB2 GLN 36 2HB GLN 36 -3.524 1.282 -8.753 270 HB3 GLN 36 3HB GLN 36 -2.069 0.551 -8.090 271 HG2 GLN 36 2HG GLN 36 -2.350 -0.015 -10.440 272 HG3 GLN 36 3HG GLN 36 -2.447 -1.454 -9.427 273 HE21 GLN 36 1HE2 GLN 36 -3.571 -2.567 -11.041 274 HE22 GLN 36 2HE2 GLN 36 -5.235 -2.248 -11.374 275 H GLU 37 H GLU 37 -1.790 -0.491 -5.902 276 HA GLU 37 HA GLU 37 -1.170 -3.223 -6.180 277 HB2 GLU 37 2HB GLU 37 -0.462 -1.187 -4.062 278 HB3 GLU 37 3HB GLU 37 0.134 -2.840 -4.001 279 HG2 GLU 37 2HG GLU 37 0.593 -0.957 -6.310 280 HG3 GLU 37 3HG GLU 37 1.725 -1.203 -4.981 281 H LEU 38 H LEU 38 -3.009 -1.500 -3.682 282 HA LEU 38 HA LEU 38 -3.433 -3.608 -1.901 283 HB2 LEU 38 2HB LEU 38 -5.154 -1.224 -2.542 284 HB3 LEU 38 3HB LEU 38 -5.442 -2.284 -1.174 285 HG LEU 38 HG LEU 38 -2.931 -0.650 -1.590 286 HD11 LEU 38 1HD1 LEU 38 -3.790 0.787 0.190 287 HD12 LEU 38 2HD1 LEU 38 -5.290 -0.144 0.221 288 HD13 LEU 38 3HD1 LEU 38 -4.857 0.786 -1.214 289 HD21 LEU 38 3HD2 LEU 38 -2.460 -1.221 0.756 290 HD22 LEU 38 1HD2 LEU 38 -2.531 -2.657 -0.267 291 HD23 LEU 38 2HD2 LEU 38 -3.886 -2.259 0.788 292 H LYS 39 H LYS 39 -5.633 -2.497 -4.520 293 HA LYS 39 HA LYS 39 -7.675 -4.347 -4.043 294 HB2 LYS 39 2HB LYS 39 -8.515 -3.823 -6.252 295 HB3 LYS 39 3HB LYS 39 -7.920 -2.355 -5.493 296 HG2 LYS 39 2HG LYS 39 -5.879 -2.475 -6.824 297 HG3 LYS 39 3HG LYS 39 -6.435 -3.979 -7.558 298 HD2 LYS 39 2HD LYS 39 -6.865 -2.183 -9.095 299 HD3 LYS 39 3HD LYS 39 -8.411 -2.741 -8.453 300 HE2 LYS 39 2HE LYS 39 -8.432 -0.867 -6.876 301 HE3 LYS 39 3HE LYS 39 -6.877 -0.319 -7.502 302 HZ1 LYS 39 3HZ LYS 39 -7.980 -0.099 -9.704 303 HZ2 LYS 39 1HZ LYS 39 -8.576 0.959 -8.526 304 HZ3 LYS 39 2HZ LYS 39 -9.462 -0.411 -8.951 305 H LEU 40 H LEU 40 -4.771 -4.676 -6.047 306 HA LEU 40 HA LEU 40 -5.423 -7.175 -7.217 307 HB2 LEU 40 2HB LEU 40 -2.719 -5.954 -6.629 308 HB3 LEU 40 3HB LEU 40 -2.985 -7.346 -7.661 309 HG LEU 40 HG LEU 40 -4.037 -4.557 -8.196 310 HD11 LEU 40 1HD1 LEU 40 -2.385 -4.497 -9.996 311 HD12 LEU 40 2HD1 LEU 40 -1.772 -6.074 -9.499 312 HD13 LEU 40 3HD1 LEU 40 -1.606 -4.686 -8.425 313 HD21 LEU 40 3HD2 LEU 40 -4.135 -7.073 -9.869 314 HD22 LEU 40 1HD2 LEU 40 -4.623 -5.463 -10.406 315 HD23 LEU 40 2HD2 LEU 40 -5.505 -6.263 -9.108 316 H ARG 41 H ARG 41 -4.296 -6.313 -4.071 317 HA ARG 41 HA ARG 41 -3.575 -9.105 -3.443 318 HB2 ARG 41 2HB ARG 41 -2.963 -6.610 -1.843 319 HB3 ARG 41 3HB ARG 41 -2.287 -8.220 -1.606 320 HG2 ARG 41 2HG ARG 41 -1.118 -8.091 -3.719 321 HG3 ARG 41 3HG ARG 41 -1.875 -6.541 -4.078 322 HD2 ARG 41 2HD ARG 41 -0.759 -5.614 -2.038 323 HD3 ARG 41 3HD ARG 41 0.111 -7.142 -1.886 324 HE ARG 41 HE ARG 41 0.598 -5.036 -3.795 325 HH11 ARG 41 1HH1 ARG 41 1.026 -8.386 -3.075 326 HH12 ARG 41 2HH1 ARG 41 2.363 -8.560 -4.156 327 HH21 ARG 41 1HH2 ARG 41 2.337 -5.273 -5.165 328 HH22 ARG 41 2HH2 ARG 41 3.104 -6.814 -5.318 329 H SER 42 H SER 42 -6.302 -7.548 -3.451 330 HA SER 42 HA SER 42 -8.284 -7.687 -2.342 331 HB2 SER 42 2HB SER 42 -6.872 -9.899 -0.825 332 HB3 SER 42 3HB SER 42 -8.603 -9.571 -0.741 333 HG SER 42 HG SER 42 -7.077 -10.458 -2.963 334 H LEU 43 H LEU 43 -6.029 -6.004 -1.286 335 HA LEU 43 HA LEU 43 -6.559 -5.818 1.571 336 HB2 LEU 43 2HB LEU 43 -4.699 -4.348 -0.298 337 HB3 LEU 43 3HB LEU 43 -4.874 -3.917 1.391 338 HG LEU 43 HG LEU 43 -4.053 -6.692 0.536 339 HD11 LEU 43 1HD1 LEU 43 -1.732 -6.021 0.971 340 HD12 LEU 43 2HD1 LEU 43 -2.255 -4.349 1.188 341 HD13 LEU 43 3HD1 LEU 43 -2.419 -5.130 -0.386 342 HD21 LEU 43 3HD2 LEU 43 -3.175 -6.787 2.827 343 HD22 LEU 43 1HD2 LEU 43 -4.906 -6.445 2.814 344 HD23 LEU 43 2HD2 LEU 43 -3.752 -5.143 3.114 345 HA PRO 44 HA PRO 44 -9.683 -2.623 1.453 346 HB2 PRO 44 2HB PRO 44 -8.109 -1.349 3.644 347 HB3 PRO 44 3HB PRO 44 -9.822 -1.780 3.590 348 HG2 PRO 44 2HG PRO 44 -8.094 -3.241 4.987 349 HG3 PRO 44 3HG PRO 44 -9.410 -4.009 4.080 350 HD2 PRO 44 2HD PRO 44 -6.499 -3.839 3.418 351 HD3 PRO 44 3HD PRO 44 -7.642 -5.168 3.143 352 H VAL 45 H VAL 45 -9.700 -1.174 -0.149 353 HA VAL 45 HA VAL 45 -7.398 0.565 -0.639 354 HB VAL 45 HB VAL 45 -8.520 1.189 -2.722 355 HG11 VAL 45 1HG1 VAL 45 -8.480 -1.797 -2.255 356 HG12 VAL 45 2HG1 VAL 45 -7.110 -0.795 -2.730 357 HG13 VAL 45 3HG1 VAL 45 -8.469 -1.008 -3.832 358 HG21 VAL 45 3HG2 VAL 45 -10.846 1.124 -1.956 359 HG22 VAL 45 1HG2 VAL 45 -10.762 -0.632 -1.809 360 HG23 VAL 45 2HG2 VAL 45 -10.635 0.129 -3.395 361 H SER 46 H SER 46 -10.467 0.739 0.876 362 HA SER 46 HA SER 46 -10.856 3.585 0.444 363 HB2 SER 46 2HB SER 46 -12.386 1.628 2.183 364 HB3 SER 46 3HB SER 46 -12.858 3.299 1.882 365 HG SER 46 HG SER 46 -13.834 2.546 0.192 366 H GLY 47 H GLY 47 -8.423 3.332 1.603 367 HA2 GLY 47 2HA GLY 47 -8.909 4.448 4.307 368 HA3 GLY 47 3HA GLY 47 -7.506 3.457 3.937 369 H THR 48 H THR 48 -7.196 5.969 5.046 370 HA THR 48 HA THR 48 -6.674 7.941 3.016 371 HB THR 48 HB THR 48 -5.605 9.264 4.808 372 HG1 THR 48 HG1 THR 48 -6.319 7.213 6.638 373 HG21 THR 48 3HG2 THR 48 -8.029 9.400 4.525 374 HG22 THR 48 1HG2 THR 48 -7.591 9.552 6.225 375 HG23 THR 48 2HG2 THR 48 -8.244 8.032 5.616 376 H LYS 49 H LYS 49 -4.474 8.985 2.849 377 HA LYS 49 HA LYS 49 -2.754 7.393 1.464 378 HB2 LYS 49 2HB LYS 49 -2.787 9.917 1.605 379 HB3 LYS 49 3HB LYS 49 -1.847 9.779 3.082 380 HG2 LYS 49 2HG LYS 49 -0.347 10.261 1.296 381 HG3 LYS 49 3HG LYS 49 -0.087 8.585 1.778 382 HD2 LYS 49 2HD LYS 49 -1.252 7.762 -0.130 383 HD3 LYS 49 3HD LYS 49 -1.886 9.363 -0.519 384 HE2 LYS 49 2HE LYS 49 -0.100 8.843 -2.044 385 HE3 LYS 49 3HE LYS 49 0.434 10.125 -0.960 386 HZ1 LYS 49 3HZ LYS 49 1.194 7.261 -0.888 387 HZ2 LYS 49 1HZ LYS 49 1.533 8.335 0.376 388 HZ3 LYS 49 2HZ LYS 49 2.196 8.593 -1.153 389 H THR 50 H THR 50 -2.217 8.382 4.864 390 HA THR 50 HA THR 50 0.136 6.889 5.257 391 HB THR 50 HB THR 50 -1.886 7.713 7.356 392 HG1 THR 50 HG1 THR 50 0.386 9.040 6.247 393 HG21 THR 50 3HG2 THR 50 0.005 7.602 8.919 394 HG22 THR 50 1HG2 THR 50 1.047 7.005 7.623 395 HG23 THR 50 2HG2 THR 50 -0.308 6.026 8.190 396 H GLU 51 H GLU 51 -3.272 6.045 5.906 397 HA GLU 51 HA GLU 51 -2.860 3.556 7.124 398 HB2 GLU 51 2HB GLU 51 -5.132 4.460 5.336 399 HB3 GLU 51 3HB GLU 51 -5.150 2.978 6.281 400 HG2 GLU 51 2HG GLU 51 -4.957 4.303 8.341 401 HG3 GLU 51 3HG GLU 51 -4.983 5.781 7.379 402 H LEU 52 H LEU 52 -3.094 4.414 3.698 403 HA LEU 52 HA LEU 52 -3.002 1.792 2.645 404 HB2 LEU 52 2HB LEU 52 -1.921 4.284 1.320 405 HB3 LEU 52 3HB LEU 52 -2.481 2.822 0.530 406 HG LEU 52 HG LEU 52 -4.190 4.837 2.001 407 HD11 LEU 52 1HD1 LEU 52 -3.462 5.610 -0.188 408 HD12 LEU 52 2HD1 LEU 52 -5.185 5.243 -0.201 409 HD13 LEU 52 3HD1 LEU 52 -4.039 4.117 -0.929 410 HD21 LEU 52 3HD2 LEU 52 -6.109 3.512 1.329 411 HD22 LEU 52 1HD2 LEU 52 -5.030 2.559 2.345 412 HD23 LEU 52 2HD2 LEU 52 -5.050 2.307 0.600 413 H ILE 53 H ILE 53 -0.427 4.133 3.371 414 HA ILE 53 HA ILE 53 1.730 2.615 2.338 415 HB ILE 53 HB ILE 53 1.792 4.704 4.531 416 HG12 ILE 53 2HG1 ILE 53 2.244 5.014 1.547 417 HG13 ILE 53 3HG1 ILE 53 0.775 5.488 2.393 418 HG21 ILE 53 1HG2 ILE 53 3.831 3.356 4.480 419 HG22 ILE 53 2HG2 ILE 53 4.151 4.992 3.903 420 HG23 ILE 53 3HG2 ILE 53 4.004 3.664 2.751 421 HD11 ILE 53 3HD1 ILE 53 2.046 7.122 3.682 422 HD12 ILE 53 1HD1 ILE 53 2.207 7.397 1.949 423 HD13 ILE 53 2HD1 ILE 53 3.520 6.639 2.846 424 H GLU 54 H GLU 54 0.600 3.011 5.724 425 HA GLU 54 HA GLU 54 2.371 1.197 6.912 426 HB2 GLU 54 2HB GLU 54 -0.466 1.886 7.726 427 HB3 GLU 54 3HB GLU 54 0.666 0.990 8.731 428 HG2 GLU 54 2HG GLU 54 2.183 2.983 8.663 429 HG3 GLU 54 3HG GLU 54 0.898 3.862 7.835 430 H ARG 55 H ARG 55 -0.840 0.655 5.528 431 HA ARG 55 HA ARG 55 -1.173 -2.039 6.149 432 HB2 ARG 55 2HB ARG 55 -2.975 -0.660 5.304 433 HB3 ARG 55 3HB ARG 55 -2.149 -0.449 3.769 434 HG2 ARG 55 2HG ARG 55 -2.570 -2.665 3.112 435 HG3 ARG 55 3HG ARG 55 -3.008 -3.158 4.751 436 HD2 ARG 55 2HD ARG 55 -4.555 -1.198 3.042 437 HD3 ARG 55 3HD ARG 55 -4.981 -2.894 3.288 438 HE ARG 55 HE ARG 55 -5.085 -2.249 5.739 439 HH11 ARG 55 1HH1 ARG 55 -5.921 -0.073 3.194 440 HH12 ARG 55 2HH1 ARG 55 -6.892 0.917 4.229 441 HH21 ARG 55 1HH2 ARG 55 -6.345 -0.984 7.031 442 HH22 ARG 55 2HH2 ARG 55 -7.129 0.406 6.365 443 H LEU 56 H LEU 56 0.298 -0.601 3.230 444 HA LEU 56 HA LEU 56 0.940 -3.037 1.958 445 HB2 LEU 56 2HB LEU 56 2.115 -0.268 1.729 446 HB3 LEU 56 3HB LEU 56 2.670 -1.606 0.741 447 HG LEU 56 HG LEU 56 -0.167 -0.554 0.776 448 HD11 LEU 56 1HD1 LEU 56 0.355 0.350 -1.446 449 HD12 LEU 56 2HD1 LEU 56 2.037 -0.145 -1.248 450 HD13 LEU 56 3HD1 LEU 56 1.349 1.085 -0.189 451 HD21 LEU 56 3HD2 LEU 56 1.179 -2.585 -1.014 452 HD22 LEU 56 1HD2 LEU 56 -0.464 -1.967 -1.207 453 HD23 LEU 56 2HD2 LEU 56 -0.044 -2.923 0.214 454 H ARG 57 H ARG 57 2.932 -0.936 4.048 455 HA ARG 57 HA ARG 57 5.267 -2.525 3.901 456 HB2 ARG 57 2HB ARG 57 4.416 -0.580 6.059 457 HB3 ARG 57 3HB ARG 57 6.032 -1.253 5.884 458 HG2 ARG 57 2HG ARG 57 6.197 -0.186 3.656 459 HG3 ARG 57 3HG ARG 57 4.614 0.546 3.920 460 HD2 ARG 57 2HD ARG 57 7.118 1.014 5.546 461 HD3 ARG 57 3HD ARG 57 6.344 2.156 4.447 462 HE ARG 57 HE ARG 57 4.783 1.190 6.721 463 HH11 ARG 57 1HH1 ARG 57 6.610 3.741 5.298 464 HH12 ARG 57 2HH1 ARG 57 5.977 4.934 6.375 465 HH21 ARG 57 1HH2 ARG 57 3.986 2.720 8.093 466 HH22 ARG 57 2HH2 ARG 57 4.501 4.367 7.939 467 H ALA 58 H ALA 58 2.532 -2.590 6.151 468 HA ALA 58 HA ALA 58 3.693 -4.526 7.918 469 HB1 ALA 58 3HB ALA 58 1.480 -4.644 8.932 470 HB2 ALA 58 1HB ALA 58 0.793 -3.752 7.572 471 HB3 ALA 58 2HB ALA 58 1.944 -2.966 8.653 472 H TYR 59 H TYR 59 1.574 -4.689 5.098 473 HA TYR 59 HA TYR 59 0.953 -7.443 5.228 474 HB2 TYR 59 2HB TYR 59 -0.252 -5.866 3.772 475 HB3 TYR 59 3HB TYR 59 1.200 -5.630 2.810 476 HD1 TYR 59 HD2 TYR 59 -1.197 -8.295 3.878 477 HD2 TYR 59 HD1 TYR 59 1.557 -6.960 0.913 478 HE1 TYR 59 HE2 TYR 59 -1.875 -10.149 2.415 479 HE2 TYR 59 HE1 TYR 59 0.879 -8.813 -0.551 480 HH TYR 59 HH TYR 59 -1.879 -10.773 0.123 481 H GLN 60 H GLN 60 3.420 -5.759 3.257 482 HA GLN 60 HA GLN 60 4.733 -8.041 2.296 483 HB2 GLN 60 2HB GLN 60 5.035 -5.779 1.371 484 HB3 GLN 60 3HB GLN 60 5.875 -5.286 2.833 485 HG2 GLN 60 2HG GLN 60 7.442 -5.729 1.038 486 HG3 GLN 60 3HG GLN 60 7.665 -6.879 2.356 487 HE21 GLN 60 1HE2 GLN 60 8.669 -8.366 1.007 488 HE22 GLN 60 2HE2 GLN 60 7.796 -9.279 -0.173 489 H ASP 61 H ASP 61 5.233 -6.175 5.255 490 HA ASP 61 HA ASP 61 7.603 -7.249 6.203 491 HB2 ASP 61 2HB ASP 61 6.354 -5.348 7.204 492 HB3 ASP 61 3HB ASP 61 5.163 -6.481 7.826 493 H GLN 62 H GLN 62 4.301 -8.398 6.960 494 HA GLN 62 HA GLN 62 5.249 -10.554 8.577 495 HB2 GLN 62 2HB GLN 62 2.911 -11.178 8.799 496 HB3 GLN 62 3HB GLN 62 3.108 -9.442 9.003 497 HG2 GLN 62 2HG GLN 62 2.383 -9.147 6.638 498 HG3 GLN 62 3HG GLN 62 2.048 -10.877 6.574 499 HE21 GLN 62 1HE2 GLN 62 1.062 -7.818 7.867 500 HE22 GLN 62 2HE2 GLN 62 -0.484 -8.333 8.443 501 H ILE 63 H ILE 63 4.298 -10.344 5.178 502 HA ILE 63 HA ILE 63 4.158 -13.224 4.871 503 HB ILE 63 HB ILE 63 3.836 -12.836 2.497 504 HG12 ILE 63 2HG1 ILE 63 4.352 -9.904 3.087 505 HG13 ILE 63 3HG1 ILE 63 5.439 -10.975 2.211 506 HG21 ILE 63 1HG2 ILE 63 1.770 -11.507 2.588 507 HG22 ILE 63 2HG2 ILE 63 2.231 -10.906 4.180 508 HG23 ILE 63 3HG2 ILE 63 1.896 -12.623 3.948 509 HD11 ILE 63 3HD1 ILE 63 2.680 -10.150 1.336 510 HD12 ILE 63 1HD1 ILE 63 3.754 -11.243 0.461 511 HD13 ILE 63 2HD1 ILE 63 4.210 -9.555 0.691 512 H SER 64 H SER 64 6.633 -10.847 4.773 513 HA SER 64 HA SER 64 8.495 -12.504 3.260 514 HB2 SER 64 2HB SER 64 8.706 -10.140 2.890 515 HB3 SER 64 3HB SER 64 8.787 -9.814 4.620 516 HG SER 64 HG SER 64 10.835 -10.336 4.642 517 HA PRO 65 HA PRO 65 10.023 -14.589 6.911 518 HB2 PRO 65 2HB PRO 65 12.315 -15.617 5.877 519 HB3 PRO 65 3HB PRO 65 10.718 -16.256 5.474 520 HG2 PRO 65 2HG PRO 65 12.446 -14.362 3.919 521 HG3 PRO 65 3HG PRO 65 11.515 -15.757 3.342 522 HD2 PRO 65 2HD PRO 65 10.631 -13.200 3.094 523 HD3 PRO 65 3HD PRO 65 9.532 -14.578 3.303 524 H VAL 66 H VAL 66 10.860 -13.495 8.604 525 HA VAL 66 HA VAL 66 12.530 -11.258 8.419 526 HB VAL 66 HB VAL 66 12.830 -11.467 10.874 527 HG11 VAL 66 1HG1 VAL 66 10.471 -11.180 11.459 528 HG12 VAL 66 2HG1 VAL 66 9.994 -11.886 9.917 529 HG13 VAL 66 3HG1 VAL 66 10.858 -10.348 9.954 530 HG21 VAL 66 3HG2 VAL 66 12.951 -13.892 11.082 531 HG22 VAL 66 1HG2 VAL 66 11.277 -14.042 10.543 532 HG23 VAL 66 2HG2 VAL 66 11.643 -13.266 12.083 533 HA PRO 67 HA PRO 67 16.410 -13.350 7.753 534 HB2 PRO 67 2HB PRO 67 17.974 -11.180 7.458 535 HB3 PRO 67 3HB PRO 67 16.761 -11.627 6.254 536 HG2 PRO 67 2HG PRO 67 16.617 -9.543 8.402 537 HG3 PRO 67 3HG PRO 67 16.078 -9.451 6.715 538 HD2 PRO 67 2HD PRO 67 14.405 -9.956 8.848 539 HD3 PRO 67 3HD PRO 67 14.069 -10.460 7.181 540 H GLY 68 H GLY 68 16.641 -14.347 9.819 541 HA2 GLY 68 2HA GLY 68 17.810 -14.805 11.747 542 HA3 GLY 68 3HA GLY 68 18.908 -13.516 11.290 543 H ALA 69 H ALA 69 15.637 -12.552 11.628 544 HA ALA 69 HA ALA 69 16.301 -10.852 13.854 545 HB1 ALA 69 3HB ALA 69 14.846 -10.092 12.016 546 HB2 ALA 69 1HB ALA 69 14.062 -9.951 13.593 547 HB3 ALA 69 2HB ALA 69 13.632 -11.274 12.509 548 HA PRO 70 HA PRO 70 15.041 -13.610 17.096 549 HB2 PRO 70 2HB PRO 70 14.607 -11.803 19.091 550 HB3 PRO 70 3HB PRO 70 16.219 -12.274 18.545 551 HG2 PRO 70 2HG PRO 70 14.617 -9.839 17.834 552 HG3 PRO 70 3HG PRO 70 16.343 -9.970 18.225 553 HD2 PRO 70 2HD PRO 70 15.435 -9.783 15.676 554 HD3 PRO 70 3HD PRO 70 16.897 -10.697 16.102 555 H LYS 71 H LYS 71 13.080 -14.301 16.104 556 HA LYS 71 HA LYS 71 10.609 -12.879 16.590 557 HB2 LYS 71 2HB LYS 71 10.973 -14.242 14.543 558 HB3 LYS 71 3HB LYS 71 11.071 -15.686 15.543 559 HG2 LYS 71 2HG LYS 71 8.724 -15.180 16.320 560 HG3 LYS 71 3HG LYS 71 8.665 -13.927 15.079 561 HD2 LYS 71 2HD LYS 71 7.636 -15.942 14.227 562 HD3 LYS 71 3HD LYS 71 9.150 -15.657 13.366 563 HE2 LYS 71 2HE LYS 71 10.273 -17.311 14.782 564 HE3 LYS 71 3HE LYS 71 8.778 -17.573 15.679 565 HZ1 LYS 71 3HZ LYS 71 9.238 -18.171 12.809 566 HZ2 LYS 71 1HZ LYS 71 7.752 -18.340 13.597 567 HZ3 LYS 71 2HZ LYS 71 9.069 -19.297 14.055 568 H ALA 72 H ALA 72 12.503 -15.243 18.229 569 HA ALA 72 HA ALA 72 10.241 -16.033 19.951 570 HB1 ALA 72 3HB ALA 72 11.348 -17.876 18.799 571 HB2 ALA 72 1HB ALA 72 11.565 -17.996 20.545 572 HB3 ALA 72 2HB ALA 72 12.888 -17.420 19.529 573 HA PRO 73 HA PRO 73 12.659 -13.637 23.026 574 HB2 PRO 73 2HB PRO 73 10.593 -12.456 24.252 575 HB3 PRO 73 3HB PRO 73 11.185 -11.867 22.693 576 HG2 PRO 73 2HG PRO 73 8.803 -13.585 23.289 577 HG3 PRO 73 3HG PRO 73 8.949 -12.231 22.152 578 HD2 PRO 73 2HD PRO 73 9.114 -14.906 21.448 579 HD3 PRO 73 3HD PRO 73 9.797 -13.569 20.499 580 H ALA 74 H ALA 74 11.774 -13.425 25.569 581 HA ALA 74 HA ALA 74 10.371 -15.637 26.654 582 HB1 ALA 74 3HB ALA 74 12.223 -16.857 27.695 583 HB2 ALA 74 1HB ALA 74 13.383 -15.810 26.877 584 HB3 ALA 74 2HB ALA 74 12.356 -16.892 25.938 585 H ALA 75 H ALA 75 10.997 -15.818 29.154 586 HA ALA 75 HA ALA 75 10.852 -13.169 30.268 587 HB1 ALA 75 3HB ALA 75 11.130 -15.840 31.650 588 HB2 ALA 75 1HB ALA 75 9.612 -15.038 31.247 589 HB3 ALA 75 2HB ALA 75 10.709 -14.314 32.426 Start of MODEL 13 1 H1 MET 1 1H MET 1 10.538 -61.407 20.241 2 H2 MET 1 2H MET 1 9.422 -61.739 19.016 3 H3 MET 1 3H MET 1 9.870 -60.142 19.342 4 HA MET 1 HA MET 1 12.112 -60.555 18.623 5 HB2 MET 1 2HB MET 1 11.078 -63.344 18.047 6 HB3 MET 1 3HB MET 1 12.640 -62.731 17.523 7 HG2 MET 1 2HG MET 1 13.346 -62.473 19.831 8 HG3 MET 1 3HG MET 1 11.764 -63.007 20.396 9 HE1 MET 1 3HE MET 1 14.714 -65.740 18.121 10 HE2 MET 1 1HE MET 1 15.081 -64.069 18.549 11 HE3 MET 1 2HE MET 1 13.829 -64.420 17.356 12 H GLY 2 H GLY 2 12.714 -60.215 16.414 13 HA2 GLY 2 2HA GLY 2 11.281 -60.822 14.147 14 HA3 GLY 2 3HA GLY 2 10.516 -59.368 14.764 15 H HIS 3 H HIS 3 11.557 -59.247 12.300 16 HA HIS 3 HA HIS 3 14.233 -58.044 12.530 17 HB2 HIS 3 2HB HIS 3 12.678 -58.825 10.048 18 HB3 HIS 3 3HB HIS 3 14.335 -58.227 10.084 19 HD1 HIS 3 HD1 HIS 3 16.161 -59.862 11.061 20 HD2 HIS 3 HD2 HIS 3 12.373 -61.524 10.634 21 HE1 HIS 3 HE1 HIS 3 16.483 -62.340 11.269 22 HE2 HIS 3 HE2 HIS 3 14.210 -63.328 10.854 23 H HIS 4 H HIS 4 13.730 -56.074 13.397 24 HA HIS 4 HA HIS 4 11.815 -54.337 12.023 25 HB2 HIS 4 2HB HIS 4 12.228 -52.811 13.994 26 HB3 HIS 4 3HB HIS 4 11.514 -54.369 14.388 27 HD1 HIS 4 HD1 HIS 4 14.581 -52.321 14.892 28 HD2 HIS 4 HD2 HIS 4 13.184 -56.109 15.862 29 HE1 HIS 4 HE1 HIS 4 16.175 -53.205 16.612 30 HE2 HIS 4 HE2 HIS 4 15.204 -55.412 17.312 31 H HIS 5 H HIS 5 12.926 -53.804 10.158 32 HA HIS 5 HA HIS 5 15.546 -52.520 10.371 33 HB2 HIS 5 2HB HIS 5 15.460 -52.558 7.852 34 HB3 HIS 5 3HB HIS 5 15.394 -54.139 8.620 35 HD1 HIS 5 HD1 HIS 5 13.377 -55.578 8.137 36 HD2 HIS 5 HD2 HIS 5 12.956 -51.691 6.733 37 HE1 HIS 5 HE1 HIS 5 11.279 -55.582 6.766 38 HE2 HIS 5 HE2 HIS 5 11.177 -53.287 5.757 39 H HIS 6 H HIS 6 12.450 -51.487 10.680 40 HA HIS 6 HA HIS 6 11.542 -49.407 10.863 41 HB2 HIS 6 2HB HIS 6 13.817 -48.835 11.737 42 HB3 HIS 6 3HB HIS 6 14.295 -48.382 10.110 43 HD1 HIS 6 HD1 HIS 6 11.974 -47.304 12.889 44 HD2 HIS 6 HD2 HIS 6 13.661 -45.802 9.402 45 HE1 HIS 6 HE1 HIS 6 11.461 -44.848 12.895 46 HE2 HIS 6 HE2 HIS 6 12.618 -43.940 10.857 47 H HIS 7 H HIS 7 10.828 -47.508 9.531 48 HA HIS 7 HA HIS 7 10.672 -48.290 6.704 49 HB2 HIS 7 2HB HIS 7 9.084 -46.279 8.317 50 HB3 HIS 7 3HB HIS 7 8.838 -46.581 6.602 51 HD1 HIS 7 HD1 HIS 7 7.745 -48.858 5.945 52 HD2 HIS 7 HD2 HIS 7 7.978 -48.168 10.031 53 HE1 HIS 7 HE1 HIS 7 6.201 -50.533 6.998 54 HE2 HIS 7 HE2 HIS 7 6.458 -50.177 9.477 55 H HIS 8 H HIS 8 10.692 -46.545 5.036 56 HA HIS 8 HA HIS 8 12.375 -44.235 5.775 57 HB2 HIS 8 2HB HIS 8 12.528 -45.903 3.254 58 HB3 HIS 8 3HB HIS 8 13.275 -44.317 3.407 59 HD1 HIS 8 HD1 HIS 8 15.456 -44.161 4.694 60 HD2 HIS 8 HD2 HIS 8 13.757 -47.946 4.819 61 HE1 HIS 8 HE1 HIS 8 17.213 -45.650 5.681 62 HE2 HIS 8 HE2 HIS 8 16.092 -47.886 5.923 63 H SER 9 H SER 9 10.305 -43.166 6.121 64 HA SER 9 HA SER 9 8.619 -42.638 3.826 65 HB2 SER 9 2HB SER 9 7.371 -41.148 5.378 66 HB3 SER 9 3HB SER 9 7.567 -42.778 6.019 67 HG SER 9 HG SER 9 9.278 -40.605 6.678 68 H HIS 10 H HIS 10 9.105 -41.184 2.325 69 HA HIS 10 HA HIS 10 11.308 -39.358 2.678 70 HB2 HIS 10 2HB HIS 10 9.420 -39.603 0.322 71 HB3 HIS 10 3HB HIS 10 10.987 -38.801 0.329 72 HD1 HIS 10 HD1 HIS 10 13.078 -40.287 0.116 73 HD2 HIS 10 HD2 HIS 10 9.514 -42.424 0.248 74 HE1 HIS 10 HE1 HIS 10 13.669 -42.626 -0.570 75 HE2 HIS 10 HE2 HIS 10 11.481 -43.862 -0.627 76 H MET 11 H MET 11 11.204 -37.304 3.343 77 HA MET 11 HA MET 11 8.744 -35.748 2.932 78 HB2 MET 11 2HB MET 11 8.867 -34.906 5.279 79 HB3 MET 11 3HB MET 11 8.485 -36.618 5.170 80 HG2 MET 11 2HG MET 11 10.844 -37.147 5.656 81 HG3 MET 11 3HG MET 11 11.165 -35.426 5.846 82 HE1 MET 11 3HE MET 11 12.220 -36.015 8.241 83 HE2 MET 11 1HE MET 11 11.803 -37.715 8.047 84 HE3 MET 11 2HE MET 11 11.335 -36.855 9.516 85 H SER 12 H SER 12 9.056 -33.464 2.899 86 HA SER 12 HA SER 12 11.800 -32.465 3.032 87 HB2 SER 12 2HB SER 12 11.738 -31.502 0.776 88 HB3 SER 12 3HB SER 12 11.564 -33.255 0.704 89 HG SER 12 HG SER 12 9.819 -31.281 -0.049 90 H THR 13 H THR 13 11.770 -30.024 2.280 91 HA THR 13 HA THR 13 9.674 -28.683 3.829 92 HB THR 13 HB THR 13 11.140 -26.648 3.522 93 HG1 THR 13 HG1 THR 13 12.685 -26.808 2.080 94 HG21 THR 13 3HG2 THR 13 11.279 -27.991 5.550 95 HG22 THR 13 1HG2 THR 13 12.881 -27.410 5.092 96 HG23 THR 13 2HG2 THR 13 12.423 -29.084 4.772 97 HA PRO 14 HA PRO 14 7.572 -27.145 0.199 98 HB2 PRO 14 2HB PRO 14 6.411 -24.906 1.200 99 HB3 PRO 14 3HB PRO 14 5.864 -26.534 1.619 100 HG2 PRO 14 2HG PRO 14 7.649 -24.682 3.162 101 HG3 PRO 14 3HG PRO 14 6.304 -25.682 3.745 102 HD2 PRO 14 2HD PRO 14 8.903 -26.425 4.017 103 HD3 PRO 14 3HD PRO 14 7.591 -27.602 3.809 104 H LEU 15 H LEU 15 8.185 -25.998 -1.538 105 HA LEU 15 HA LEU 15 10.300 -23.991 -1.218 106 HB2 LEU 15 2HB LEU 15 9.343 -25.401 -3.715 107 HB3 LEU 15 3HB LEU 15 10.750 -24.361 -3.592 108 HG LEU 15 HG LEU 15 10.413 -27.036 -2.209 109 HD11 LEU 15 1HD1 LEU 15 12.167 -27.803 -3.741 110 HD12 LEU 15 2HD1 LEU 15 12.147 -26.239 -4.553 111 HD13 LEU 15 3HD1 LEU 15 10.727 -27.285 -4.613 112 HD21 LEU 15 3HD2 LEU 15 12.760 -26.781 -1.564 113 HD22 LEU 15 1HD2 LEU 15 11.762 -25.499 -0.879 114 HD23 LEU 15 2HD2 LEU 15 12.788 -25.167 -2.276 115 H THR 16 H THR 16 10.286 -22.195 -2.915 116 HA THR 16 HA THR 16 7.698 -21.323 -3.886 117 HB THR 16 HB THR 16 7.560 -20.465 -1.606 118 HG1 THR 16 HG1 THR 16 7.080 -18.364 -2.171 119 HG21 THR 16 3HG2 THR 16 9.953 -20.346 -1.078 120 HG22 THR 16 1HG2 THR 16 9.157 -18.805 -0.757 121 HG23 THR 16 2HG2 THR 16 10.144 -19.003 -2.206 122 H GLY 17 H GLY 17 7.834 -19.512 -5.339 123 HA2 GLY 17 2HA GLY 17 10.566 -18.690 -6.109 124 HA3 GLY 17 3HA GLY 17 9.481 -19.351 -7.322 125 H LYS 18 H LYS 18 8.285 -17.312 -4.746 126 HA LYS 18 HA LYS 18 7.816 -15.162 -6.724 127 HB2 LYS 18 2HB LYS 18 6.197 -15.867 -4.262 128 HB3 LYS 18 3HB LYS 18 5.870 -14.512 -5.336 129 HG2 LYS 18 2HG LYS 18 5.557 -16.158 -7.190 130 HG3 LYS 18 3HG LYS 18 5.697 -17.446 -5.994 131 HD2 LYS 18 2HD LYS 18 3.621 -15.247 -5.944 132 HD3 LYS 18 3HD LYS 18 3.346 -16.878 -6.545 133 HE2 LYS 18 2HE LYS 18 2.474 -16.892 -4.368 134 HE3 LYS 18 3HE LYS 18 4.043 -17.678 -4.221 135 HZ1 LYS 18 3HZ LYS 18 3.575 -14.808 -3.622 136 HZ2 LYS 18 1HZ LYS 18 4.970 -15.707 -3.290 137 HZ3 LYS 18 2HZ LYS 18 3.536 -16.032 -2.456 138 HA PRO 19 HA PRO 19 10.137 -12.517 -3.920 139 HB2 PRO 19 2HB PRO 19 9.958 -10.231 -5.290 140 HB3 PRO 19 3HB PRO 19 10.878 -11.599 -5.931 141 HG2 PRO 19 2HG PRO 19 8.112 -10.685 -6.637 142 HG3 PRO 19 3HG PRO 19 9.418 -11.219 -7.709 143 HD2 PRO 19 2HD PRO 19 7.329 -12.828 -6.871 144 HD3 PRO 19 3HD PRO 19 8.905 -13.436 -7.420 145 H GLY 20 H GLY 20 9.789 -10.534 -2.609 146 HA2 GLY 20 2HA GLY 20 7.045 -9.549 -2.397 147 HA3 GLY 20 3HA GLY 20 7.654 -10.440 -1.013 148 H ALA 21 H ALA 21 8.298 -7.611 -3.066 149 HA ALA 21 HA ALA 21 9.181 -6.159 -0.661 150 HB1 ALA 21 3HB ALA 21 11.065 -5.166 -1.843 151 HB2 ALA 21 1HB ALA 21 10.684 -6.116 -3.279 152 HB3 ALA 21 2HB ALA 21 11.213 -6.923 -1.803 153 H LEU 22 H LEU 22 8.399 -4.119 -0.514 154 HA LEU 22 HA LEU 22 6.541 -3.155 -2.505 155 HB2 LEU 22 2HB LEU 22 7.534 -1.857 0.040 156 HB3 LEU 22 3HB LEU 22 6.189 -1.287 -0.930 157 HG LEU 22 HG LEU 22 6.282 -3.919 0.557 158 HD11 LEU 22 1HD1 LEU 22 6.153 -2.024 2.079 159 HD12 LEU 22 2HD1 LEU 22 4.614 -2.884 2.032 160 HD13 LEU 22 3HD1 LEU 22 4.797 -1.358 1.166 161 HD21 LEU 22 3HD2 LEU 22 4.911 -4.057 -1.457 162 HD22 LEU 22 1HD2 LEU 22 4.037 -2.600 -0.980 163 HD23 LEU 22 2HD2 LEU 22 3.901 -4.070 -0.012 164 HA PRO 23 HA PRO 23 9.285 -0.219 -4.558 165 HB2 PRO 23 2HB PRO 23 6.986 1.605 -4.821 166 HB3 PRO 23 3HB PRO 23 7.915 0.790 -6.081 167 HG2 PRO 23 2HG PRO 23 5.380 0.080 -5.491 168 HG3 PRO 23 3HG PRO 23 6.591 -1.101 -6.026 169 HD2 PRO 23 2HD PRO 23 5.596 -0.529 -3.254 170 HD3 PRO 23 3HD PRO 23 5.943 -2.092 -4.027 171 H ALA 24 H ALA 24 10.688 0.891 -3.281 172 HA ALA 24 HA ALA 24 10.260 1.993 -0.819 173 HB1 ALA 24 3HB ALA 24 12.468 1.595 -1.811 174 HB2 ALA 24 1HB ALA 24 12.345 3.201 -1.094 175 HB3 ALA 24 2HB ALA 24 12.251 3.007 -2.842 176 H ASN 25 H ASN 25 9.576 3.532 -3.889 177 HA ASN 25 HA ASN 25 9.233 6.173 -2.766 178 HB2 ASN 25 2HB ASN 25 8.511 5.120 -5.512 179 HB3 ASN 25 3HB ASN 25 8.593 6.816 -5.041 180 HD21 ASN 25 1HD2 ASN 25 10.630 7.753 -4.663 181 HD22 ASN 25 2HD2 ASN 25 12.079 7.021 -5.255 182 H LEU 26 H LEU 26 7.492 4.104 -1.606 183 HA LEU 26 HA LEU 26 4.890 4.049 -2.520 184 HB2 LEU 26 2HB LEU 26 5.889 4.164 0.329 185 HB3 LEU 26 3HB LEU 26 4.218 3.838 -0.095 186 HG LEU 26 HG LEU 26 6.593 2.123 -0.854 187 HD11 LEU 26 1HD1 LEU 26 6.080 1.990 1.525 188 HD12 LEU 26 2HD1 LEU 26 5.640 0.494 0.702 189 HD13 LEU 26 3HD1 LEU 26 4.387 1.653 1.155 190 HD21 LEU 26 3HD2 LEU 26 3.637 1.681 -1.319 191 HD22 LEU 26 1HD2 LEU 26 4.922 0.521 -1.664 192 HD23 LEU 26 2HD2 LEU 26 4.843 2.039 -2.555 193 H ASP 27 H ASP 27 6.159 6.449 -0.175 194 HA ASP 27 HA ASP 27 3.775 7.958 -0.050 195 HB2 ASP 27 2HB ASP 27 5.666 7.963 1.628 196 HB3 ASP 27 3HB ASP 27 6.565 8.985 0.509 197 H ASP 28 H ASP 28 6.340 7.933 -2.365 198 HA ASP 28 HA ASP 28 5.904 10.544 -3.454 199 HB2 ASP 28 2HB ASP 28 8.066 9.496 -3.724 200 HB3 ASP 28 3HB ASP 28 7.346 8.110 -4.533 201 H MET 29 H MET 29 4.635 7.325 -4.125 202 HA MET 29 HA MET 29 3.398 8.047 -6.610 203 HB2 MET 29 2HB MET 29 2.827 5.686 -4.802 204 HB3 MET 29 3HB MET 29 2.272 5.869 -6.461 205 HG2 MET 29 2HG MET 29 4.696 5.981 -7.141 206 HG3 MET 29 3HG MET 29 5.094 5.505 -5.490 207 HE1 MET 29 3HE MET 29 4.134 3.179 -4.394 208 HE2 MET 29 1HE MET 29 3.215 1.997 -5.326 209 HE3 MET 29 2HE MET 29 2.507 3.570 -4.957 210 H LYS 30 H LYS 30 1.154 8.254 -7.039 211 HA LYS 30 HA LYS 30 -0.194 9.934 -5.182 212 HB2 LYS 30 2HB LYS 30 -1.141 8.674 -7.765 213 HB3 LYS 30 3HB LYS 30 -2.039 9.894 -6.868 214 HG2 LYS 30 2HG LYS 30 -0.290 11.517 -7.230 215 HG3 LYS 30 3HG LYS 30 0.734 10.301 -7.990 216 HD2 LYS 30 2HD LYS 30 -1.949 11.213 -9.053 217 HD3 LYS 30 3HD LYS 30 -0.385 11.804 -9.621 218 HE2 LYS 30 2HE LYS 30 0.228 9.530 -10.303 219 HE3 LYS 30 3HE LYS 30 -1.330 8.934 -9.733 220 HZ1 LYS 30 3HZ LYS 30 -2.413 10.361 -11.374 221 HZ2 LYS 30 1HZ LYS 30 -1.360 9.262 -12.108 222 HZ3 LYS 30 2HZ LYS 30 -0.906 10.879 -11.938 223 H VAL 31 H VAL 31 -2.286 9.621 -4.235 224 HA VAL 31 HA VAL 31 -2.533 7.404 -2.628 225 HB VAL 31 HB VAL 31 -4.773 9.206 -3.581 226 HG11 VAL 31 1HG1 VAL 31 -5.691 7.172 -2.599 227 HG12 VAL 31 2HG1 VAL 31 -5.938 8.538 -1.509 228 HG13 VAL 31 3HG1 VAL 31 -4.660 7.366 -1.182 229 HG21 VAL 31 3HG2 VAL 31 -4.356 10.421 -1.470 230 HG22 VAL 31 1HG2 VAL 31 -2.956 10.446 -2.542 231 HG23 VAL 31 2HG2 VAL 31 -2.980 9.365 -1.149 232 H ALA 32 H ALA 32 -4.187 7.911 -5.757 233 HA ALA 32 HA ALA 32 -5.680 5.546 -5.817 234 HB1 ALA 32 3HB ALA 32 -5.967 7.397 -7.413 235 HB2 ALA 32 1HB ALA 32 -5.795 5.842 -8.226 236 HB3 ALA 32 2HB ALA 32 -4.435 6.966 -8.175 237 H GLU 33 H GLU 33 -2.342 6.133 -6.919 238 HA GLU 33 HA GLU 33 -1.853 3.552 -7.960 239 HB2 GLU 33 2HB GLU 33 0.105 5.560 -6.811 240 HB3 GLU 33 3HB GLU 33 0.548 4.153 -7.770 241 HG2 GLU 33 2HG GLU 33 -0.698 5.059 -9.675 242 HG3 GLU 33 3HG GLU 33 -1.138 6.468 -8.712 243 H LEU 34 H LEU 34 -1.485 4.909 -4.717 244 HA LEU 34 HA LEU 34 -0.262 2.620 -3.544 245 HB2 LEU 34 2HB LEU 34 -1.835 4.894 -2.332 246 HB3 LEU 34 3HB LEU 34 -1.059 3.645 -1.377 247 HG LEU 34 HG LEU 34 0.373 5.566 -3.222 248 HD11 LEU 34 1HD1 LEU 34 -0.527 6.689 -1.260 249 HD12 LEU 34 2HD1 LEU 34 1.229 6.578 -1.169 250 HD13 LEU 34 3HD1 LEU 34 0.226 5.491 -0.207 251 HD21 LEU 34 3HD2 LEU 34 1.532 3.438 -3.093 252 HD22 LEU 34 1HD2 LEU 34 1.441 3.461 -1.330 253 HD23 LEU 34 2HD2 LEU 34 2.419 4.655 -2.181 254 H LYS 35 H LYS 35 -3.660 3.663 -3.805 255 HA LYS 35 HA LYS 35 -4.734 1.411 -2.440 256 HB2 LYS 35 2HB LYS 35 -6.001 3.270 -4.470 257 HB3 LYS 35 3HB LYS 35 -6.888 2.036 -3.576 258 HG2 LYS 35 2HG LYS 35 -6.125 3.137 -1.461 259 HG3 LYS 35 3HG LYS 35 -5.469 4.444 -2.448 260 HD2 LYS 35 2HD LYS 35 -7.711 4.919 -3.319 261 HD3 LYS 35 3HD LYS 35 -8.370 3.586 -2.366 262 HE2 LYS 35 2HE LYS 35 -7.561 4.742 -0.305 263 HE3 LYS 35 3HE LYS 35 -7.084 6.111 -1.306 264 HZ1 LYS 35 3HZ LYS 35 -9.224 6.508 -0.321 265 HZ2 LYS 35 1HZ LYS 35 -9.837 5.062 -0.947 266 HZ3 LYS 35 2HZ LYS 35 -9.420 6.323 -1.992 267 H GLN 36 H GLN 36 -3.709 1.940 -5.749 268 HA GLN 36 HA GLN 36 -4.742 -0.433 -6.892 269 HB2 GLN 36 2HB GLN 36 -3.727 1.499 -8.153 270 HB3 GLN 36 3HB GLN 36 -2.145 0.951 -7.621 271 HG2 GLN 36 2HG GLN 36 -2.505 0.190 -9.860 272 HG3 GLN 36 3HG GLN 36 -2.554 -1.206 -8.784 273 HE21 GLN 36 1HE2 GLN 36 -3.735 -2.400 -10.311 274 HE22 GLN 36 2HE2 GLN 36 -5.411 -2.102 -10.603 275 H GLU 37 H GLU 37 -1.649 0.285 -5.289 276 HA GLU 37 HA GLU 37 -0.401 -2.188 -5.361 277 HB2 GLU 37 2HB GLU 37 -0.461 -0.103 -3.168 278 HB3 GLU 37 3HB GLU 37 0.620 -1.488 -3.147 279 HG2 GLU 37 2HG GLU 37 0.573 0.586 -5.330 280 HG3 GLU 37 3HG GLU 37 1.649 0.634 -3.935 281 H LEU 38 H LEU 38 -2.893 -1.043 -3.131 282 HA LEU 38 HA LEU 38 -2.887 -3.334 -1.447 283 HB2 LEU 38 2HB LEU 38 -4.958 -1.182 -1.894 284 HB3 LEU 38 3HB LEU 38 -5.086 -2.417 -0.654 285 HG LEU 38 HG LEU 38 -2.836 -0.397 -0.810 286 HD11 LEU 38 1HD1 LEU 38 -5.285 -0.418 0.952 287 HD12 LEU 38 2HD1 LEU 38 -4.974 0.705 -0.373 288 HD13 LEU 38 3HD1 LEU 38 -3.940 0.719 1.056 289 HD21 LEU 38 3HD2 LEU 38 -2.213 -2.457 0.338 290 HD22 LEU 38 1HD2 LEU 38 -3.647 -2.343 1.359 291 HD23 LEU 38 2HD2 LEU 38 -2.371 -1.130 1.488 292 H LYS 39 H LYS 39 -5.239 -2.289 -3.953 293 HA LYS 39 HA LYS 39 -6.949 -4.490 -3.638 294 HB2 LYS 39 2HB LYS 39 -7.992 -3.807 -5.729 295 HB3 LYS 39 3HB LYS 39 -7.635 -2.406 -4.732 296 HG2 LYS 39 2HG LYS 39 -5.592 -2.021 -6.112 297 HG3 LYS 39 3HG LYS 39 -6.121 -3.332 -7.168 298 HD2 LYS 39 2HD LYS 39 -6.794 -1.217 -8.129 299 HD3 LYS 39 3HD LYS 39 -8.230 -2.089 -7.590 300 HE2 LYS 39 2HE LYS 39 -8.281 -0.732 -5.542 301 HE3 LYS 39 3HE LYS 39 -6.843 0.135 -6.082 302 HZ1 LYS 39 3HZ LYS 39 -9.475 0.115 -7.455 303 HZ2 LYS 39 1HZ LYS 39 -8.102 0.945 -7.987 304 HZ3 LYS 39 2HZ LYS 39 -8.848 1.387 -6.538 305 H LEU 40 H LEU 40 -4.171 -4.086 -5.821 306 HA LEU 40 HA LEU 40 -4.595 -6.431 -7.347 307 HB2 LEU 40 2HB LEU 40 -2.052 -4.919 -6.731 308 HB3 LEU 40 3HB LEU 40 -2.145 -6.241 -7.881 309 HG LEU 40 HG LEU 40 -3.608 -3.601 -8.102 310 HD11 LEU 40 1HD1 LEU 40 -1.275 -4.705 -9.668 311 HD12 LEU 40 2HD1 LEU 40 -1.220 -3.379 -8.506 312 HD13 LEU 40 3HD1 LEU 40 -2.127 -3.197 -10.009 313 HD21 LEU 40 3HD2 LEU 40 -4.265 -4.382 -10.336 314 HD22 LEU 40 1HD2 LEU 40 -4.924 -5.410 -9.064 315 HD23 LEU 40 2HD2 LEU 40 -3.533 -5.952 -10.003 316 H ARG 41 H ARG 41 -3.646 -6.095 -4.104 317 HA ARG 41 HA ARG 41 -2.728 -8.902 -4.052 318 HB2 ARG 41 2HB ARG 41 -1.685 -6.549 -2.459 319 HB3 ARG 41 3HB ARG 41 -1.321 -8.224 -2.053 320 HG2 ARG 41 2HG ARG 41 -0.261 -8.541 -4.228 321 HG3 ARG 41 3HG ARG 41 -0.661 -6.887 -4.680 322 HD2 ARG 41 2HD ARG 41 1.073 -7.592 -2.315 323 HD3 ARG 41 3HD ARG 41 1.711 -7.270 -3.924 324 HE ARG 41 HE ARG 41 0.271 -5.300 -2.270 325 HH11 ARG 41 1HH1 ARG 41 2.510 -6.048 -4.791 326 HH12 ARG 41 2HH1 ARG 41 3.075 -4.417 -4.916 327 HH21 ARG 41 1HH2 ARG 41 1.022 -3.218 -2.451 328 HH22 ARG 41 2HH2 ARG 41 2.244 -2.842 -3.615 329 H SER 42 H SER 42 -5.406 -7.608 -3.651 330 HA SER 42 HA SER 42 -7.286 -8.085 -2.475 331 HB2 SER 42 2HB SER 42 -5.514 -10.199 -1.227 332 HB3 SER 42 3HB SER 42 -7.254 -10.093 -0.961 333 HG SER 42 HG SER 42 -7.603 -10.888 -2.888 334 H LEU 43 H LEU 43 -5.520 -6.017 -1.428 335 HA LEU 43 HA LEU 43 -6.088 -6.151 1.461 336 HB2 LEU 43 2HB LEU 43 -4.246 -4.403 -0.164 337 HB3 LEU 43 3HB LEU 43 -4.564 -4.129 1.539 338 HG LEU 43 HG LEU 43 -3.427 -6.729 0.494 339 HD11 LEU 43 1HD1 LEU 43 -1.231 -5.909 1.215 340 HD12 LEU 43 2HD1 LEU 43 -1.933 -4.327 1.558 341 HD13 LEU 43 3HD1 LEU 43 -1.888 -4.934 -0.099 342 HD21 LEU 43 3HD2 LEU 43 -4.484 -6.830 2.697 343 HD22 LEU 43 1HD2 LEU 43 -3.483 -5.484 3.247 344 HD23 LEU 43 2HD2 LEU 43 -2.736 -7.027 2.823 345 HA PRO 44 HA PRO 44 -9.469 -3.257 1.161 346 HB2 PRO 44 2HB PRO 44 -8.531 -2.160 3.759 347 HB3 PRO 44 3HB PRO 44 -10.089 -2.882 3.337 348 HG2 PRO 44 2HG PRO 44 -8.331 -4.207 4.850 349 HG3 PRO 44 3HG PRO 44 -9.322 -5.052 3.646 350 HD2 PRO 44 2HD PRO 44 -6.442 -4.215 3.482 351 HD3 PRO 44 3HD PRO 44 -7.208 -5.730 2.953 352 H VAL 45 H VAL 45 -9.734 -1.253 0.279 353 HA VAL 45 HA VAL 45 -7.375 0.535 0.222 354 HB VAL 45 HB VAL 45 -8.245 1.407 -1.897 355 HG11 VAL 45 1HG1 VAL 45 -6.717 -0.509 -1.935 356 HG12 VAL 45 2HG1 VAL 45 -7.855 -0.575 -3.282 357 HG13 VAL 45 3HG1 VAL 45 -8.093 -1.614 -1.875 358 HG21 VAL 45 3HG2 VAL 45 -10.455 -0.632 -1.552 359 HG22 VAL 45 1HG2 VAL 45 -10.165 0.324 -3.006 360 HG23 VAL 45 2HG2 VAL 45 -10.638 1.121 -1.506 361 H SER 46 H SER 46 -9.908 0.419 2.076 362 HA SER 46 HA SER 46 -11.321 2.861 1.480 363 HB2 SER 46 2HB SER 46 -11.494 1.067 3.913 364 HB3 SER 46 3HB SER 46 -12.619 2.363 3.509 365 HG SER 46 HG SER 46 -13.404 0.336 2.833 366 H GLY 47 H GLY 47 -8.322 2.673 2.589 367 HA2 GLY 47 2HA GLY 47 -8.667 4.644 4.765 368 HA3 GLY 47 3HA GLY 47 -7.243 3.651 4.512 369 H THR 48 H THR 48 -6.885 6.284 4.961 370 HA THR 48 HA THR 48 -6.558 7.738 2.473 371 HB THR 48 HB THR 48 -5.474 9.471 3.872 372 HG1 THR 48 HG1 THR 48 -5.265 9.142 6.089 373 HG21 THR 48 3HG2 THR 48 -7.910 9.490 3.623 374 HG22 THR 48 1HG2 THR 48 -7.435 10.062 5.222 375 HG23 THR 48 2HG2 THR 48 -8.068 8.428 5.024 376 H LYS 49 H LYS 49 -4.248 8.910 2.360 377 HA LYS 49 HA LYS 49 -2.518 7.160 1.183 378 HB2 LYS 49 2HB LYS 49 -2.429 9.616 0.956 379 HB3 LYS 49 3HB LYS 49 -1.751 9.734 2.575 380 HG2 LYS 49 2HG LYS 49 0.223 8.485 1.853 381 HG3 LYS 49 3HG LYS 49 -0.460 8.344 0.231 382 HD2 LYS 49 2HD LYS 49 -0.432 10.803 0.020 383 HD3 LYS 49 3HD LYS 49 0.276 10.924 1.635 384 HE2 LYS 49 2HE LYS 49 2.228 9.657 0.872 385 HE3 LYS 49 3HE LYS 49 1.518 9.527 -0.737 386 HZ1 LYS 49 3HZ LYS 49 2.261 12.075 0.599 387 HZ2 LYS 49 1HZ LYS 49 1.645 11.914 -0.970 388 HZ3 LYS 49 2HZ LYS 49 3.170 11.295 -0.592 389 H THR 50 H THR 50 -2.258 8.299 4.570 390 HA THR 50 HA THR 50 0.094 6.838 5.189 391 HB THR 50 HB THR 50 -2.089 7.692 7.112 392 HG1 THR 50 HG1 THR 50 -0.825 9.306 5.685 393 HG21 THR 50 3HG2 THR 50 -0.542 6.037 8.074 394 HG22 THR 50 1HG2 THR 50 -0.323 7.625 8.810 395 HG23 THR 50 2HG2 THR 50 0.826 7.048 7.603 396 H GLU 51 H GLU 51 -3.352 6.050 5.649 397 HA GLU 51 HA GLU 51 -3.122 3.567 6.897 398 HB2 GLU 51 2HB GLU 51 -5.170 4.536 4.884 399 HB3 GLU 51 3HB GLU 51 -5.343 3.054 5.815 400 HG2 GLU 51 2HG GLU 51 -5.006 5.750 7.100 401 HG3 GLU 51 3HG GLU 51 -6.581 5.100 6.649 402 H LEU 52 H LEU 52 -3.088 4.362 3.449 403 HA LEU 52 HA LEU 52 -3.139 1.784 2.382 404 HB2 LEU 52 2HB LEU 52 -1.623 4.103 1.181 405 HB3 LEU 52 3HB LEU 52 -2.349 2.748 0.335 406 HG LEU 52 HG LEU 52 -3.836 4.959 1.755 407 HD11 LEU 52 1HD1 LEU 52 -2.838 5.703 -0.326 408 HD12 LEU 52 2HD1 LEU 52 -4.592 5.602 -0.468 409 HD13 LEU 52 3HD1 LEU 52 -3.579 4.348 -1.183 410 HD21 LEU 52 3HD2 LEU 52 -5.871 3.972 0.841 411 HD22 LEU 52 1HD2 LEU 52 -5.054 2.860 1.940 412 HD23 LEU 52 2HD2 LEU 52 -4.934 2.624 0.195 413 H ILE 53 H ILE 53 -0.293 3.833 3.065 414 HA ILE 53 HA ILE 53 1.674 1.980 2.302 415 HB ILE 53 HB ILE 53 1.869 4.190 4.360 416 HG12 ILE 53 2HG1 ILE 53 2.604 4.129 1.415 417 HG13 ILE 53 3HG1 ILE 53 1.217 4.966 2.108 418 HG21 ILE 53 1HG2 ILE 53 4.302 4.078 3.997 419 HG22 ILE 53 2HG2 ILE 53 4.077 2.678 2.949 420 HG23 ILE 53 3HG2 ILE 53 3.675 2.570 4.664 421 HD11 ILE 53 3HD1 ILE 53 2.745 6.415 3.365 422 HD12 ILE 53 1HD1 ILE 53 2.994 6.519 1.623 423 HD13 ILE 53 2HD1 ILE 53 4.118 5.594 2.619 424 H GLU 54 H GLU 54 0.421 2.687 5.589 425 HA GLU 54 HA GLU 54 2.005 0.781 6.920 426 HB2 GLU 54 2HB GLU 54 -0.690 1.923 7.687 427 HB3 GLU 54 3HB GLU 54 0.313 0.951 8.758 428 HG2 GLU 54 2HG GLU 54 2.129 2.704 8.386 429 HG3 GLU 54 3HG GLU 54 0.859 3.703 7.678 430 H ARG 55 H ARG 55 -1.107 0.472 5.312 431 HA ARG 55 HA ARG 55 -1.776 -2.117 6.229 432 HB2 ARG 55 2HB ARG 55 -3.149 -0.312 4.884 433 HB3 ARG 55 3HB ARG 55 -2.531 -1.168 3.481 434 HG2 ARG 55 2HG ARG 55 -4.093 -2.740 3.695 435 HG3 ARG 55 3HG ARG 55 -3.592 -3.071 5.356 436 HD2 ARG 55 2HD ARG 55 -5.552 -0.965 4.433 437 HD3 ARG 55 3HD ARG 55 -5.922 -2.430 5.343 438 HE ARG 55 HE ARG 55 -4.264 -1.254 7.031 439 HH11 ARG 55 1HH1 ARG 55 -6.802 0.186 5.184 440 HH12 ARG 55 2HH1 ARG 55 -7.135 1.387 6.378 441 HH21 ARG 55 1HH2 ARG 55 -4.656 0.330 8.514 442 HH22 ARG 55 2HH2 ARG 55 -5.910 1.488 8.233 443 H LEU 56 H LEU 56 -0.005 -0.999 3.352 444 HA LEU 56 HA LEU 56 0.635 -3.515 2.266 445 HB2 LEU 56 2HB LEU 56 2.130 -0.889 2.172 446 HB3 LEU 56 3HB LEU 56 2.594 -2.297 1.237 447 HG LEU 56 HG LEU 56 -0.063 -0.871 0.983 448 HD11 LEU 56 1HD1 LEU 56 0.812 -0.003 -1.128 449 HD12 LEU 56 2HD1 LEU 56 2.375 -0.752 -0.799 450 HD13 LEU 56 3HD1 LEU 56 1.783 0.548 0.237 451 HD21 LEU 56 3HD2 LEU 56 -0.337 -2.221 -1.035 452 HD22 LEU 56 1HD2 LEU 56 -0.156 -3.250 0.385 453 HD23 LEU 56 2HD2 LEU 56 1.200 -3.027 -0.721 454 H ARG 57 H ARG 57 2.398 -1.501 4.606 455 HA ARG 57 HA ARG 57 4.642 -3.160 4.920 456 HB2 ARG 57 2HB ARG 57 3.369 -1.274 6.917 457 HB3 ARG 57 3HB ARG 57 4.987 -1.950 7.057 458 HG2 ARG 57 2HG ARG 57 5.639 -0.799 4.980 459 HG3 ARG 57 3HG ARG 57 4.019 -0.109 4.863 460 HD2 ARG 57 2HD ARG 57 5.589 1.502 5.809 461 HD3 ARG 57 3HD ARG 57 4.359 1.056 6.991 462 HE ARG 57 HE ARG 57 6.478 -0.637 7.442 463 HH11 ARG 57 1HH1 ARG 57 6.020 2.774 7.448 464 HH12 ARG 57 2HH1 ARG 57 7.200 3.034 8.681 465 HH21 ARG 57 1HH2 ARG 57 7.989 -0.285 9.012 466 HH22 ARG 57 2HH2 ARG 57 8.327 1.330 9.531 467 H ALA 58 H ALA 58 1.491 -3.221 6.547 468 HA ALA 58 HA ALA 58 2.107 -5.263 8.429 469 HB1 ALA 58 3HB ALA 58 -0.314 -5.475 8.706 470 HB2 ALA 58 1HB ALA 58 -0.576 -4.515 7.250 471 HB3 ALA 58 2HB ALA 58 0.169 -3.779 8.668 472 H TYR 59 H TYR 59 0.801 -5.340 5.134 473 HA TYR 59 HA TYR 59 0.359 -8.117 4.937 474 HB2 TYR 59 2HB TYR 59 -0.569 -6.613 3.293 475 HB3 TYR 59 3HB TYR 59 1.031 -6.048 2.831 476 HD1 TYR 59 HD2 TYR 59 -1.035 -9.173 2.921 477 HD2 TYR 59 HD1 TYR 59 2.075 -6.999 0.977 478 HE1 TYR 59 HE2 TYR 59 -0.955 -10.876 1.147 479 HE2 TYR 59 HE1 TYR 59 2.162 -8.698 -0.794 480 HH TYR 59 HH TYR 59 1.581 -11.061 -1.111 481 H GLN 60 H GLN 60 3.233 -6.171 4.138 482 HA GLN 60 HA GLN 60 4.870 -8.304 3.270 483 HB2 GLN 60 2HB GLN 60 5.618 -5.638 4.497 484 HB3 GLN 60 3HB GLN 60 6.749 -6.721 3.693 485 HG2 GLN 60 2HG GLN 60 4.351 -5.429 2.402 486 HG3 GLN 60 3HG GLN 60 6.015 -4.870 2.260 487 HE21 GLN 60 1HE2 GLN 60 7.480 -6.099 1.068 488 HE22 GLN 60 2HE2 GLN 60 6.957 -7.297 -0.056 489 H ASP 61 H ASP 61 4.508 -6.757 6.418 490 HA ASP 61 HA ASP 61 6.505 -7.868 7.910 491 HB2 ASP 61 2HB ASP 61 5.007 -6.169 8.765 492 HB3 ASP 61 3HB ASP 61 3.649 -7.285 8.714 493 H GLN 62 H GLN 62 3.459 -9.433 7.032 494 HA GLN 62 HA GLN 62 3.963 -11.708 8.768 495 HB2 GLN 62 2HB GLN 62 1.764 -12.510 7.936 496 HB3 GLN 62 3HB GLN 62 1.700 -10.893 8.631 497 HG2 GLN 62 2HG GLN 62 1.871 -9.995 6.284 498 HG3 GLN 62 3HG GLN 62 1.636 -11.650 5.720 499 HE21 GLN 62 1HE2 GLN 62 0.169 -8.927 7.298 500 HE22 GLN 62 2HE2 GLN 62 -1.464 -9.478 7.171 501 H ILE 63 H ILE 63 4.364 -10.959 5.366 502 HA ILE 63 HA ILE 63 4.605 -13.811 4.689 503 HB ILE 63 HB ILE 63 4.629 -13.142 2.356 504 HG12 ILE 63 2HG1 ILE 63 4.450 -10.276 3.348 505 HG13 ILE 63 3HG1 ILE 63 5.885 -11.009 2.639 506 HG21 ILE 63 1HG2 ILE 63 2.458 -13.445 3.430 507 HG22 ILE 63 2HG2 ILE 63 2.367 -12.190 2.197 508 HG23 ILE 63 3HG2 ILE 63 2.434 -11.745 3.901 509 HD11 ILE 63 3HD1 ILE 63 4.710 -9.632 1.030 510 HD12 ILE 63 1HD1 ILE 63 3.248 -10.593 1.249 511 HD13 ILE 63 2HD1 ILE 63 4.686 -11.325 0.539 512 H SER 64 H SER 64 6.612 -11.094 5.327 513 HA SER 64 HA SER 64 8.840 -11.794 3.691 514 HB2 SER 64 2HB SER 64 8.450 -9.498 4.557 515 HB3 SER 64 3HB SER 64 8.802 -10.071 6.185 516 HG SER 64 HG SER 64 10.506 -9.396 4.171 517 HA PRO 65 HA PRO 65 10.613 -15.072 6.115 518 HB2 PRO 65 2HB PRO 65 13.187 -14.974 5.236 519 HB3 PRO 65 3HB PRO 65 11.857 -15.610 4.258 520 HG2 PRO 65 2HG PRO 65 13.135 -12.897 4.184 521 HG3 PRO 65 3HG PRO 65 12.672 -13.951 2.835 522 HD2 PRO 65 2HD PRO 65 11.146 -11.855 3.623 523 HD3 PRO 65 3HD PRO 65 10.439 -13.345 2.961 524 H VAL 66 H VAL 66 10.249 -13.708 8.072 525 HA VAL 66 HA VAL 66 12.647 -12.434 9.163 526 HB VAL 66 HB VAL 66 11.151 -11.767 11.052 527 HG11 VAL 66 1HG1 VAL 66 11.511 -10.258 9.171 528 HG12 VAL 66 2HG1 VAL 66 9.859 -10.114 9.772 529 HG13 VAL 66 3HG1 VAL 66 10.183 -11.013 8.288 530 HG21 VAL 66 3HG2 VAL 66 8.728 -12.052 10.809 531 HG22 VAL 66 1HG2 VAL 66 9.545 -13.610 10.924 532 HG23 VAL 66 2HG2 VAL 66 8.983 -13.023 9.360 533 HA PRO 67 HA PRO 67 14.084 -15.859 11.524 534 HB2 PRO 67 2HB PRO 67 14.493 -13.961 13.788 535 HB3 PRO 67 3HB PRO 67 15.651 -15.032 12.991 536 HG2 PRO 67 2HG PRO 67 15.699 -12.418 12.529 537 HG3 PRO 67 3HG PRO 67 15.969 -13.574 11.208 538 HD2 PRO 67 2HD PRO 67 13.505 -11.992 11.873 539 HD3 PRO 67 3HD PRO 67 14.225 -12.345 10.288 540 H GLY 68 H GLY 68 12.203 -13.676 13.695 541 HA2 GLY 68 2HA GLY 68 11.436 -15.776 15.463 542 HA3 GLY 68 3HA GLY 68 10.748 -14.162 15.415 543 H ALA 69 H ALA 69 9.689 -14.116 12.859 544 HA ALA 69 HA ALA 69 7.916 -14.703 11.574 545 HB1 ALA 69 3HB ALA 69 9.041 -16.878 11.360 546 HB2 ALA 69 1HB ALA 69 7.285 -17.025 11.323 547 HB3 ALA 69 2HB ALA 69 8.175 -17.454 12.783 548 HA PRO 70 HA PRO 70 4.688 -13.545 14.528 549 HB2 PRO 70 2HB PRO 70 3.122 -13.813 11.987 550 HB3 PRO 70 3HB PRO 70 3.103 -12.515 13.189 551 HG2 PRO 70 2HG PRO 70 4.381 -12.171 10.888 552 HG3 PRO 70 3HG PRO 70 5.092 -11.584 12.406 553 HD2 PRO 70 2HD PRO 70 5.811 -13.991 10.780 554 HD3 PRO 70 3HD PRO 70 6.862 -12.889 11.695 555 H LYS 71 H LYS 71 3.353 -14.785 15.755 556 HA LYS 71 HA LYS 71 3.306 -17.570 15.433 557 HB2 LYS 71 2HB LYS 71 1.743 -17.607 17.327 558 HB3 LYS 71 3HB LYS 71 3.111 -16.542 17.619 559 HG2 LYS 71 2HG LYS 71 1.753 -14.595 17.190 560 HG3 LYS 71 3HG LYS 71 0.386 -15.609 16.721 561 HD2 LYS 71 2HD LYS 71 0.127 -14.754 19.005 562 HD3 LYS 71 3HD LYS 71 0.256 -16.512 18.988 563 HE2 LYS 71 2HE LYS 71 2.655 -16.302 19.581 564 HE3 LYS 71 3HE LYS 71 2.450 -14.552 19.678 565 HZ1 LYS 71 3HZ LYS 71 0.966 -16.521 21.336 566 HZ2 LYS 71 1HZ LYS 71 0.899 -14.834 21.475 567 HZ3 LYS 71 2HZ LYS 71 2.329 -15.661 21.852 568 H ALA 72 H ALA 72 1.182 -15.204 14.075 569 HA ALA 72 HA ALA 72 -0.642 -17.367 13.200 570 HB1 ALA 72 3HB ALA 72 -1.327 -14.451 13.603 571 HB2 ALA 72 1HB ALA 72 -1.777 -15.779 14.677 572 HB3 ALA 72 2HB ALA 72 -2.429 -15.707 13.037 573 HA PRO 73 HA PRO 73 1.081 -15.652 9.294 574 HB2 PRO 73 2HB PRO 73 2.446 -17.758 8.431 575 HB3 PRO 73 3HB PRO 73 3.061 -16.804 9.786 576 HG2 PRO 73 2HG PRO 73 1.708 -19.465 9.809 577 HG3 PRO 73 3HG PRO 73 3.020 -18.867 10.838 578 HD2 PRO 73 2HD PRO 73 0.255 -18.916 11.470 579 HD3 PRO 73 3HD PRO 73 1.541 -18.106 12.387 580 H ALA 74 H ALA 74 1.107 -16.920 7.004 581 HA ALA 74 HA ALA 74 -1.579 -18.065 6.637 582 HB1 ALA 74 3HB ALA 74 0.349 -16.921 4.611 583 HB2 ALA 74 1HB ALA 74 -1.073 -16.113 5.274 584 HB3 ALA 74 2HB ALA 74 -1.265 -17.539 4.253 585 H ALA 75 H ALA 75 -1.910 -20.099 5.830 586 HA ALA 75 HA ALA 75 0.458 -21.831 5.573 587 HB1 ALA 75 3HB ALA 75 -1.213 -22.467 7.254 588 HB2 ALA 75 1HB ALA 75 -1.060 -23.693 5.995 589 HB3 ALA 75 2HB ALA 75 -2.436 -22.591 5.988 Start of MODEL 14 1 H1 MET 1 1H MET 1 -39.314 -34.515 -25.893 2 H2 MET 1 2H MET 1 -39.547 -33.253 -26.990 3 H3 MET 1 3H MET 1 -38.679 -32.984 -25.567 4 HA MET 1 HA MET 1 -36.963 -34.512 -26.283 5 HB2 MET 1 2HB MET 1 -36.961 -35.367 -28.579 6 HB3 MET 1 3HB MET 1 -38.366 -35.941 -27.695 7 HG2 MET 1 2HG MET 1 -38.335 -33.702 -29.715 8 HG3 MET 1 3HG MET 1 -38.956 -35.336 -29.969 9 HE1 MET 1 3HE MET 1 -41.268 -34.348 -30.829 10 HE2 MET 1 1HE MET 1 -40.658 -32.712 -30.592 11 HE3 MET 1 2HE MET 1 -42.223 -33.172 -29.925 12 H GLY 2 H GLY 2 -35.107 -33.623 -27.206 13 HA2 GLY 2 2HA GLY 2 -35.334 -31.255 -28.891 14 HA3 GLY 2 3HA GLY 2 -34.705 -30.975 -27.277 15 H HIS 3 H HIS 3 -33.312 -30.451 -29.689 16 HA HIS 3 HA HIS 3 -31.368 -32.568 -30.092 17 HB2 HIS 3 2HB HIS 3 -32.173 -31.158 -31.971 18 HB3 HIS 3 3HB HIS 3 -31.448 -29.748 -31.207 19 HD1 HIS 3 HD1 HIS 3 -28.865 -29.523 -31.349 20 HD2 HIS 3 HD2 HIS 3 -30.397 -32.856 -33.308 21 HE1 HIS 3 HE1 HIS 3 -26.984 -30.399 -32.763 22 HE2 HIS 3 HE2 HIS 3 -27.893 -32.479 -33.842 23 H HIS 4 H HIS 4 -29.597 -32.821 -28.881 24 HA HIS 4 HA HIS 4 -28.588 -30.562 -27.278 25 HB2 HIS 4 2HB HIS 4 -29.177 -32.595 -26.026 26 HB3 HIS 4 3HB HIS 4 -28.065 -33.537 -27.009 27 HD1 HIS 4 HD1 HIS 4 -28.179 -31.156 -24.130 28 HD2 HIS 4 HD2 HIS 4 -25.332 -33.218 -26.354 29 HE1 HIS 4 HE1 HIS 4 -26.050 -30.996 -22.817 30 HE2 HIS 4 HE2 HIS 4 -24.323 -32.157 -24.222 31 H HIS 5 H HIS 5 -27.115 -29.441 -28.436 32 HA HIS 5 HA HIS 5 -25.182 -30.834 -30.144 33 HB2 HIS 5 2HB HIS 5 -26.318 -28.904 -31.103 34 HB3 HIS 5 3HB HIS 5 -25.781 -27.885 -29.775 35 HD1 HIS 5 HD1 HIS 5 -23.425 -26.939 -29.897 36 HD2 HIS 5 HD2 HIS 5 -24.309 -29.543 -33.008 37 HE1 HIS 5 HE1 HIS 5 -21.552 -26.673 -31.548 38 HE2 HIS 5 HE2 HIS 5 -22.245 -28.074 -33.517 39 H HIS 6 H HIS 6 -23.473 -31.627 -29.042 40 HA HIS 6 HA HIS 6 -22.472 -30.397 -26.640 41 HB2 HIS 6 2HB HIS 6 -20.702 -32.214 -26.805 42 HB3 HIS 6 3HB HIS 6 -22.368 -32.761 -26.684 43 HD1 HIS 6 HD1 HIS 6 -23.124 -34.378 -28.408 44 HD2 HIS 6 HD2 HIS 6 -19.671 -32.382 -29.566 45 HE1 HIS 6 HE1 HIS 6 -22.404 -35.471 -30.544 46 HE2 HIS 6 HE2 HIS 6 -20.449 -34.103 -31.332 47 H HIS 7 H HIS 7 -20.470 -29.420 -26.263 48 HA HIS 7 HA HIS 7 -18.557 -28.934 -28.350 49 HB2 HIS 7 2HB HIS 7 -18.845 -26.453 -28.398 50 HB3 HIS 7 3HB HIS 7 -20.202 -27.327 -29.099 51 HD1 HIS 7 HD1 HIS 7 -19.276 -25.572 -25.848 52 HD2 HIS 7 HD2 HIS 7 -22.637 -26.681 -28.036 53 HE1 HIS 7 HE1 HIS 7 -21.225 -24.540 -24.656 54 HE2 HIS 7 HE2 HIS 7 -23.253 -25.251 -25.965 55 H HIS 8 H HIS 8 -16.738 -27.562 -27.626 56 HA HIS 8 HA HIS 8 -16.668 -26.878 -24.784 57 HB2 HIS 8 2HB HIS 8 -14.523 -27.980 -24.409 58 HB3 HIS 8 3HB HIS 8 -15.734 -29.157 -24.903 59 HD1 HIS 8 HD1 HIS 8 -15.473 -30.161 -27.325 60 HD2 HIS 8 HD2 HIS 8 -12.318 -27.764 -26.071 61 HE1 HIS 8 HE1 HIS 8 -13.592 -30.653 -28.906 62 HE2 HIS 8 HE2 HIS 8 -11.656 -29.288 -28.060 63 H SER 9 H SER 9 -14.765 -25.486 -24.235 64 HA SER 9 HA SER 9 -13.607 -24.051 -26.530 65 HB2 SER 9 2HB SER 9 -14.266 -21.868 -25.661 66 HB3 SER 9 3HB SER 9 -15.704 -22.859 -25.902 67 HG SER 9 HG SER 9 -15.056 -21.616 -23.728 68 H HIS 10 H HIS 10 -12.209 -22.076 -25.434 69 HA HIS 10 HA HIS 10 -10.522 -23.391 -23.385 70 HB2 HIS 10 2HB HIS 10 -9.675 -21.311 -25.418 71 HB3 HIS 10 3HB HIS 10 -8.624 -22.170 -24.296 72 HD1 HIS 10 HD1 HIS 10 -10.051 -22.349 -27.647 73 HD2 HIS 10 HD2 HIS 10 -8.393 -25.010 -24.919 74 HE1 HIS 10 HE1 HIS 10 -9.482 -24.405 -28.973 75 HE2 HIS 10 HE2 HIS 10 -8.302 -25.915 -27.340 76 H MET 11 H MET 11 -9.420 -21.962 -21.849 77 HA MET 11 HA MET 11 -10.524 -19.257 -21.568 78 HB2 MET 11 2HB MET 11 -11.904 -20.691 -20.131 79 HB3 MET 11 3HB MET 11 -10.462 -21.300 -19.330 80 HG2 MET 11 2HG MET 11 -9.981 -19.039 -18.497 81 HG3 MET 11 3HG MET 11 -11.452 -18.454 -19.275 82 HE1 MET 11 3HE MET 11 -13.472 -20.888 -18.758 83 HE2 MET 11 1HE MET 11 -13.903 -19.187 -18.557 84 HE3 MET 11 2HE MET 11 -14.240 -20.343 -17.266 85 H SER 12 H SER 12 -8.697 -18.092 -21.834 86 HA SER 12 HA SER 12 -6.156 -19.013 -20.763 87 HB2 SER 12 2HB SER 12 -5.229 -16.989 -21.885 88 HB3 SER 12 3HB SER 12 -6.142 -18.027 -22.978 89 HG SER 12 HG SER 12 -6.522 -15.619 -22.963 90 H THR 13 H THR 13 -5.045 -18.162 -19.068 91 HA THR 13 HA THR 13 -6.450 -16.223 -17.355 92 HB THR 13 HB THR 13 -4.943 -16.999 -15.554 93 HG1 THR 13 HG1 THR 13 -3.353 -18.431 -15.924 94 HG21 THR 13 3HG2 THR 13 -6.307 -19.265 -17.028 95 HG22 THR 13 1HG2 THR 13 -7.073 -18.167 -15.878 96 HG23 THR 13 2HG2 THR 13 -5.824 -19.285 -15.333 97 HA PRO 14 HA PRO 14 -3.462 -13.076 -18.193 98 HB2 PRO 14 2HB PRO 14 -3.638 -11.512 -16.030 99 HB3 PRO 14 3HB PRO 14 -5.023 -11.742 -17.104 100 HG2 PRO 14 2HG PRO 14 -4.428 -13.081 -14.480 101 HG3 PRO 14 3HG PRO 14 -5.952 -12.374 -15.048 102 HD2 PRO 14 2HD PRO 14 -5.400 -15.053 -15.164 103 HD3 PRO 14 3HD PRO 14 -6.495 -14.230 -16.295 104 H LEU 15 H LEU 15 -1.383 -12.231 -17.746 105 HA LEU 15 HA LEU 15 0.404 -13.845 -16.201 106 HB2 LEU 15 2HB LEU 15 2.143 -12.437 -16.958 107 HB3 LEU 15 3HB LEU 15 1.012 -12.560 -18.290 108 HG LEU 15 HG LEU 15 1.202 -10.195 -16.403 109 HD11 LEU 15 1HD1 LEU 15 3.201 -10.383 -17.778 110 HD12 LEU 15 2HD1 LEU 15 2.220 -9.010 -18.282 111 HD13 LEU 15 3HD1 LEU 15 2.211 -10.496 -19.233 112 HD21 LEU 15 3HD2 LEU 15 -0.373 -10.561 -18.959 113 HD22 LEU 15 1HD2 LEU 15 -0.216 -9.053 -18.058 114 HD23 LEU 15 2HD2 LEU 15 -1.034 -10.433 -17.327 115 H THR 16 H THR 16 1.917 -12.846 -14.539 116 HA THR 16 HA THR 16 0.702 -10.740 -12.905 117 HB THR 16 HB THR 16 1.302 -13.495 -11.781 118 HG1 THR 16 HG1 THR 16 -1.068 -12.156 -12.522 119 HG21 THR 16 3HG2 THR 16 1.838 -11.698 -10.185 120 HG22 THR 16 1HG2 THR 16 0.428 -12.621 -9.668 121 HG23 THR 16 2HG2 THR 16 0.221 -11.030 -10.399 122 H GLY 17 H GLY 17 2.168 -9.513 -11.808 123 HA2 GLY 17 2HA GLY 17 5.010 -10.172 -12.077 124 HA3 GLY 17 3HA GLY 17 4.337 -8.630 -11.573 125 H LYS 18 H LYS 18 5.701 -11.561 -10.534 126 HA LYS 18 HA LYS 18 4.562 -12.013 -8.039 127 HB2 LYS 18 2HB LYS 18 7.388 -12.519 -8.994 128 HB3 LYS 18 3HB LYS 18 6.722 -13.172 -7.501 129 HG2 LYS 18 2HG LYS 18 5.150 -14.508 -8.678 130 HG3 LYS 18 3HG LYS 18 5.493 -13.689 -10.203 131 HD2 LYS 18 2HD LYS 18 7.445 -15.405 -8.657 132 HD3 LYS 18 3HD LYS 18 6.546 -15.914 -10.087 133 HE2 LYS 18 2HE LYS 18 7.639 -14.116 -11.385 134 HE3 LYS 18 3HE LYS 18 8.572 -13.674 -9.956 135 HZ1 LYS 18 3HZ LYS 18 9.848 -15.063 -11.448 136 HZ2 LYS 18 1HZ LYS 18 8.684 -16.288 -11.364 137 HZ3 LYS 18 2HZ LYS 18 9.580 -15.871 -9.989 138 HA PRO 19 HA PRO 19 6.234 -8.424 -5.853 139 HB2 PRO 19 2HB PRO 19 4.562 -8.489 -3.764 140 HB3 PRO 19 3HB PRO 19 4.012 -7.985 -5.368 141 HG2 PRO 19 2HG PRO 19 3.636 -10.609 -3.976 142 HG3 PRO 19 3HG PRO 19 2.493 -9.695 -4.974 143 HD2 PRO 19 2HD PRO 19 4.019 -11.845 -5.862 144 HD3 PRO 19 3HD PRO 19 3.284 -10.617 -6.913 145 H GLY 20 H GLY 20 7.996 -8.421 -4.588 146 HA2 GLY 20 2HA GLY 20 8.201 -10.400 -2.386 147 HA3 GLY 20 3HA GLY 20 9.579 -10.007 -3.406 148 H ALA 21 H ALA 21 9.712 -7.414 -3.597 149 HA ALA 21 HA ALA 21 9.549 -6.303 -0.864 150 HB1 ALA 21 3HB ALA 21 11.742 -5.828 -2.887 151 HB2 ALA 21 1HB ALA 21 11.871 -6.816 -1.432 152 HB3 ALA 21 2HB ALA 21 11.621 -5.076 -1.298 153 H LEU 22 H LEU 22 8.671 -4.291 -0.669 154 HA LEU 22 HA LEU 22 7.231 -3.240 -2.932 155 HB2 LEU 22 2HB LEU 22 7.477 -2.193 -0.106 156 HB3 LEU 22 3HB LEU 22 6.359 -1.586 -1.313 157 HG LEU 22 HG LEU 22 6.337 -4.373 -0.148 158 HD11 LEU 22 1HD1 LEU 22 5.639 -2.698 1.473 159 HD12 LEU 22 2HD1 LEU 22 4.264 -3.666 0.943 160 HD13 LEU 22 3HD1 LEU 22 4.489 -2.034 0.313 161 HD21 LEU 22 3HD2 LEU 22 5.533 -4.352 -2.455 162 HD22 LEU 22 1HD2 LEU 22 4.415 -3.045 -2.065 163 HD23 LEU 22 2HD2 LEU 22 4.208 -4.633 -1.327 164 HA PRO 23 HA PRO 23 10.043 0.057 -4.146 165 HB2 PRO 23 2HB PRO 23 7.621 1.664 -4.707 166 HB3 PRO 23 3HB PRO 23 8.904 1.146 -5.805 167 HG2 PRO 23 2HG PRO 23 6.447 0.063 -5.908 168 HG3 PRO 23 3HG PRO 23 7.902 -0.900 -6.221 169 HD2 PRO 23 2HD PRO 23 6.219 -0.762 -3.742 170 HD3 PRO 23 3HD PRO 23 6.954 -2.177 -4.529 171 H ALA 24 H ALA 24 11.049 1.454 -2.798 172 HA ALA 24 HA ALA 24 10.081 2.142 -0.281 173 HB1 ALA 24 3HB ALA 24 11.999 3.613 -0.087 174 HB2 ALA 24 1HB ALA 24 12.237 3.561 -1.835 175 HB3 ALA 24 2HB ALA 24 12.455 2.101 -0.872 176 H ASN 25 H ASN 25 9.519 3.747 -3.303 177 HA ASN 25 HA ASN 25 8.871 6.315 -2.144 178 HB2 ASN 25 2HB ASN 25 8.641 5.223 -4.952 179 HB3 ASN 25 3HB ASN 25 8.164 6.859 -4.510 180 HD21 ASN 25 1HD2 ASN 25 9.701 7.779 -5.835 181 HD22 ASN 25 2HD2 ASN 25 11.385 7.768 -5.438 182 H LEU 26 H LEU 26 7.170 3.745 -1.549 183 HA LEU 26 HA LEU 26 4.599 3.976 -2.537 184 HB2 LEU 26 2HB LEU 26 5.447 3.329 0.289 185 HB3 LEU 26 3HB LEU 26 3.809 3.126 -0.308 186 HG LEU 26 HG LEU 26 6.262 1.650 -1.281 187 HD11 LEU 26 1HD1 LEU 26 5.504 0.895 0.895 188 HD12 LEU 26 2HD1 LEU 26 5.162 -0.317 -0.336 189 HD13 LEU 26 3HD1 LEU 26 3.862 0.704 0.281 190 HD21 LEU 26 3HD2 LEU 26 4.726 2.048 -3.133 191 HD22 LEU 26 1HD2 LEU 26 3.389 1.396 -2.185 192 HD23 LEU 26 2HD2 LEU 26 4.722 0.349 -2.671 193 H ASP 27 H ASP 27 5.958 5.752 0.238 194 HA ASP 27 HA ASP 27 3.602 7.294 0.703 195 HB2 ASP 27 2HB ASP 27 5.233 8.706 2.106 196 HB3 ASP 27 3HB ASP 27 4.989 7.026 2.576 197 H ASP 28 H ASP 28 6.384 7.742 -1.357 198 HA ASP 28 HA ASP 28 5.949 10.548 -1.807 199 HB2 ASP 28 2HB ASP 28 8.185 9.486 -2.008 200 HB3 ASP 28 3HB ASP 28 7.614 8.589 -3.414 201 H MET 29 H MET 29 4.726 7.616 -3.228 202 HA MET 29 HA MET 29 3.817 8.861 -5.668 203 HB2 MET 29 2HB MET 29 3.185 6.172 -4.435 204 HB3 MET 29 3HB MET 29 2.572 6.704 -5.995 205 HG2 MET 29 2HG MET 29 4.957 6.982 -6.729 206 HG3 MET 29 3HG MET 29 5.435 6.193 -5.226 207 HE1 MET 29 3HE MET 29 4.706 3.683 -4.591 208 HE2 MET 29 1HE MET 29 3.741 2.654 -5.653 209 HE3 MET 29 2HE MET 29 3.015 4.077 -4.905 210 H LYS 30 H LYS 30 1.323 8.211 -6.156 211 HA LYS 30 HA LYS 30 -0.156 10.018 -4.418 212 HB2 LYS 30 2HB LYS 30 -0.975 8.666 -7.001 213 HB3 LYS 30 3HB LYS 30 -1.886 9.921 -6.168 214 HG2 LYS 30 2HG LYS 30 -0.039 11.496 -6.522 215 HG3 LYS 30 3HG LYS 30 0.868 10.239 -7.367 216 HD2 LYS 30 2HD LYS 30 -0.205 11.713 -8.972 217 HD3 LYS 30 3HD LYS 30 -0.925 10.105 -9.057 218 HE2 LYS 30 2HE LYS 30 -2.644 11.829 -9.158 219 HE3 LYS 30 3HE LYS 30 -2.804 10.879 -7.680 220 HZ1 LYS 30 3HZ LYS 30 -3.067 13.221 -7.227 221 HZ2 LYS 30 1HZ LYS 30 -1.557 13.568 -7.905 222 HZ3 LYS 30 2HZ LYS 30 -1.662 12.658 -6.482 223 H VAL 31 H VAL 31 -2.465 9.500 -3.881 224 HA VAL 31 HA VAL 31 -2.634 7.184 -2.280 225 HB VAL 31 HB VAL 31 -4.942 8.871 -3.284 226 HG11 VAL 31 1HG1 VAL 31 -4.706 7.112 -0.836 227 HG12 VAL 31 2HG1 VAL 31 -5.660 6.763 -2.277 228 HG13 VAL 31 3HG1 VAL 31 -6.088 8.127 -1.246 229 HG21 VAL 31 3HG2 VAL 31 -3.251 10.285 -2.238 230 HG22 VAL 31 1HG2 VAL 31 -3.231 9.240 -0.816 231 HG23 VAL 31 2HG2 VAL 31 -4.680 10.167 -1.209 232 H ALA 32 H ALA 32 -3.995 7.932 -5.473 233 HA ALA 32 HA ALA 32 -5.556 5.677 -5.898 234 HB1 ALA 32 3HB ALA 32 -5.529 7.639 -7.369 235 HB2 ALA 32 1HB ALA 32 -5.333 6.140 -8.275 236 HB3 ALA 32 2HB ALA 32 -3.937 7.169 -7.959 237 H GLU 33 H GLU 33 -2.062 6.066 -6.395 238 HA GLU 33 HA GLU 33 -1.534 3.612 -7.651 239 HB2 GLU 33 2HB GLU 33 0.201 5.301 -5.837 240 HB3 GLU 33 3HB GLU 33 0.794 3.910 -6.735 241 HG2 GLU 33 2HG GLU 33 -0.414 6.392 -7.949 242 HG3 GLU 33 3HG GLU 33 1.309 6.028 -7.849 243 H LEU 34 H LEU 34 -1.448 4.468 -4.198 244 HA LEU 34 HA LEU 34 -0.752 1.954 -3.170 245 HB2 LEU 34 2HB LEU 34 -2.534 4.046 -1.908 246 HB3 LEU 34 3HB LEU 34 -1.699 2.756 -1.058 247 HG LEU 34 HG LEU 34 -0.321 4.991 -2.562 248 HD11 LEU 34 1HD1 LEU 34 -1.526 5.848 -0.626 249 HD12 LEU 34 2HD1 LEU 34 0.218 5.897 -0.365 250 HD13 LEU 34 3HD1 LEU 34 -0.752 4.637 0.402 251 HD21 LEU 34 3HD2 LEU 34 1.692 4.206 -1.422 252 HD22 LEU 34 1HD2 LEU 34 1.007 2.942 -2.439 253 HD23 LEU 34 2HD2 LEU 34 0.776 2.887 -0.691 254 H LYS 35 H LYS 35 -3.969 3.367 -3.722 255 HA LYS 35 HA LYS 35 -5.528 1.221 -2.837 256 HB2 LYS 35 2HB LYS 35 -6.138 3.186 -5.061 257 HB3 LYS 35 3HB LYS 35 -7.322 2.193 -4.218 258 HG2 LYS 35 2HG LYS 35 -6.918 3.357 -2.151 259 HG3 LYS 35 3HG LYS 35 -5.580 4.252 -2.868 260 HD2 LYS 35 2HD LYS 35 -7.364 5.777 -2.859 261 HD3 LYS 35 3HD LYS 35 -7.307 5.186 -4.517 262 HE2 LYS 35 2HE LYS 35 -9.166 4.109 -2.395 263 HE3 LYS 35 3HE LYS 35 -9.605 5.369 -3.543 264 HZ1 LYS 35 3HZ LYS 35 -8.790 2.601 -4.250 265 HZ2 LYS 35 1HZ LYS 35 -9.207 3.817 -5.348 266 HZ3 LYS 35 2HZ LYS 35 -10.365 3.208 -4.278 267 H GLN 36 H GLN 36 -4.026 1.799 -5.991 268 HA GLN 36 HA GLN 36 -5.168 -0.456 -7.308 269 HB2 GLN 36 2HB GLN 36 -4.025 1.631 -8.329 270 HB3 GLN 36 3HB GLN 36 -2.511 0.800 -8.020 271 HG2 GLN 36 2HG GLN 36 -4.718 -0.426 -9.652 272 HG3 GLN 36 3HG GLN 36 -3.493 0.622 -10.357 273 HE21 GLN 36 1HE2 GLN 36 -4.078 -2.185 -10.866 274 HE22 GLN 36 2HE2 GLN 36 -2.610 -3.038 -10.563 275 H GLU 37 H GLU 37 -2.092 0.073 -5.605 276 HA GLU 37 HA GLU 37 -0.929 -2.452 -5.922 277 HB2 GLU 37 2HB GLU 37 -0.753 -0.431 -3.681 278 HB3 GLU 37 3HB GLU 37 0.207 -1.904 -3.699 279 HG2 GLU 37 2HG GLU 37 0.267 0.188 -5.868 280 HG3 GLU 37 3HG GLU 37 1.397 0.117 -4.516 281 H LEU 38 H LEU 38 -3.486 -1.405 -3.792 282 HA LEU 38 HA LEU 38 -3.390 -3.641 -2.016 283 HB2 LEU 38 2HB LEU 38 -5.539 -1.591 -2.557 284 HB3 LEU 38 3HB LEU 38 -5.637 -2.793 -1.283 285 HG LEU 38 HG LEU 38 -3.417 -0.743 -1.451 286 HD11 LEU 38 1HD1 LEU 38 -5.581 0.386 -1.206 287 HD12 LEU 38 2HD1 LEU 38 -4.593 0.527 0.245 288 HD13 LEU 38 3HD1 LEU 38 -5.941 -0.612 0.203 289 HD21 LEU 38 3HD2 LEU 38 -4.346 -2.547 0.791 290 HD22 LEU 38 1HD2 LEU 38 -3.080 -1.322 0.913 291 HD23 LEU 38 2HD2 LEU 38 -2.860 -2.716 -0.144 292 H LYS 39 H LYS 39 -5.694 -2.775 -4.637 293 HA LYS 39 HA LYS 39 -7.330 -5.028 -4.396 294 HB2 LYS 39 2HB LYS 39 -8.106 -4.537 -6.692 295 HB3 LYS 39 3HB LYS 39 -8.043 -3.102 -5.678 296 HG2 LYS 39 2HG LYS 39 -6.002 -2.380 -6.737 297 HG3 LYS 39 3HG LYS 39 -5.919 -3.872 -7.673 298 HD2 LYS 39 2HD LYS 39 -6.744 -2.017 -9.038 299 HD3 LYS 39 3HD LYS 39 -7.981 -3.259 -8.852 300 HE2 LYS 39 2HE LYS 39 -7.911 -0.877 -7.020 301 HE3 LYS 39 3HE LYS 39 -8.634 -0.758 -8.620 302 HZ1 LYS 39 3HZ LYS 39 -10.120 -2.590 -8.023 303 HZ2 LYS 39 1HZ LYS 39 -10.301 -1.271 -6.984 304 HZ3 LYS 39 2HZ LYS 39 -9.457 -2.636 -6.468 305 H LEU 40 H LEU 40 -4.269 -4.704 -6.114 306 HA LEU 40 HA LEU 40 -4.374 -7.054 -7.657 307 HB2 LEU 40 2HB LEU 40 -1.988 -5.718 -6.370 308 HB3 LEU 40 3HB LEU 40 -1.888 -6.957 -7.607 309 HG LEU 40 HG LEU 40 -3.107 -4.210 -7.966 310 HD11 LEU 40 1HD1 LEU 40 -0.505 -5.358 -8.976 311 HD12 LEU 40 2HD1 LEU 40 -0.691 -4.099 -7.756 312 HD13 LEU 40 3HD1 LEU 40 -1.179 -3.790 -9.421 313 HD21 LEU 40 3HD2 LEU 40 -2.635 -6.402 -9.991 314 HD22 LEU 40 1HD2 LEU 40 -3.255 -4.785 -10.330 315 HD23 LEU 40 2HD2 LEU 40 -4.206 -5.906 -9.357 316 H ARG 41 H ARG 41 -3.577 -6.536 -4.276 317 HA ARG 41 HA ARG 41 -2.949 -9.403 -3.955 318 HB2 ARG 41 2HB ARG 41 -2.043 -6.952 -2.454 319 HB3 ARG 41 3HB ARG 41 -1.885 -8.561 -1.759 320 HG2 ARG 41 2HG ARG 41 -0.378 -9.261 -3.418 321 HG3 ARG 41 3HG ARG 41 -0.793 -7.919 -4.481 322 HD2 ARG 41 2HD ARG 41 0.551 -7.543 -1.805 323 HD3 ARG 41 3HD ARG 41 1.445 -7.760 -3.312 324 HE ARG 41 HE ARG 41 -0.515 -5.585 -3.062 325 HH11 ARG 41 1HH1 ARG 41 2.749 -6.601 -3.487 326 HH12 ARG 41 2HH1 ARG 41 3.273 -5.055 -4.049 327 HH21 ARG 41 1HH2 ARG 41 0.171 -3.611 -3.759 328 HH22 ARG 41 2HH2 ARG 41 1.828 -3.375 -4.202 329 H SER 42 H SER 42 -5.667 -8.111 -3.951 330 HA SER 42 HA SER 42 -7.664 -8.671 -2.999 331 HB2 SER 42 2HB SER 42 -6.722 -10.919 -2.709 332 HB3 SER 42 3HB SER 42 -5.997 -10.436 -1.177 333 HG SER 42 HG SER 42 -7.897 -10.546 -0.214 334 H LEU 43 H LEU 43 -5.656 -6.619 -1.748 335 HA LEU 43 HA LEU 43 -6.723 -6.343 0.947 336 HB2 LEU 43 2HB LEU 43 -4.704 -4.753 -0.644 337 HB3 LEU 43 3HB LEU 43 -5.189 -4.329 0.987 338 HG LEU 43 HG LEU 43 -3.961 -7.003 0.294 339 HD11 LEU 43 1HD1 LEU 43 -1.837 -6.126 1.118 340 HD12 LEU 43 2HD1 LEU 43 -2.556 -4.523 1.293 341 HD13 LEU 43 3HD1 LEU 43 -2.380 -5.240 -0.309 342 HD21 LEU 43 3HD2 LEU 43 -3.494 -7.091 2.695 343 HD22 LEU 43 1HD2 LEU 43 -5.221 -6.926 2.384 344 HD23 LEU 43 2HD2 LEU 43 -4.283 -5.527 2.908 345 HA PRO 44 HA PRO 44 -9.989 -3.568 -0.155 346 HB2 PRO 44 2HB PRO 44 -10.296 -2.122 2.115 347 HB3 PRO 44 3HB PRO 44 -10.734 -3.833 2.016 348 HG2 PRO 44 2HG PRO 44 -8.223 -2.586 3.101 349 HG3 PRO 44 3HG PRO 44 -9.238 -3.856 3.818 350 HD2 PRO 44 2HD PRO 44 -6.956 -4.432 2.486 351 HD3 PRO 44 3HD PRO 44 -8.369 -5.508 2.441 352 H VAL 45 H VAL 45 -9.961 -1.842 -1.450 353 HA VAL 45 HA VAL 45 -7.685 -0.093 -1.552 354 HB VAL 45 HB VAL 45 -8.781 0.904 -3.501 355 HG11 VAL 45 1HG1 VAL 45 -7.535 -1.196 -3.773 356 HG12 VAL 45 2HG1 VAL 45 -8.873 -1.084 -4.915 357 HG13 VAL 45 3HG1 VAL 45 -9.018 -2.110 -3.488 358 HG21 VAL 45 3HG2 VAL 45 -11.093 0.909 -2.704 359 HG22 VAL 45 1HG2 VAL 45 -11.139 -0.853 -2.782 360 HG23 VAL 45 2HG2 VAL 45 -10.981 0.091 -4.262 361 H SER 46 H SER 46 -9.418 0.175 0.883 362 HA SER 46 HA SER 46 -10.123 3.027 0.593 363 HB2 SER 46 2HB SER 46 -11.574 0.943 2.244 364 HB3 SER 46 3HB SER 46 -11.918 2.671 2.282 365 HG SER 46 HG SER 46 -12.341 2.494 -0.017 366 H GLY 47 H GLY 47 -9.232 4.377 1.964 367 HA2 GLY 47 2HA GLY 47 -8.695 4.397 4.574 368 HA3 GLY 47 3HA GLY 47 -7.365 3.411 3.981 369 H THR 48 H THR 48 -6.865 5.843 5.276 370 HA THR 48 HA THR 48 -6.515 7.959 3.346 371 HB THR 48 HB THR 48 -5.373 9.200 5.087 372 HG1 THR 48 HG1 THR 48 -5.595 7.072 6.912 373 HG21 THR 48 3HG2 THR 48 -7.086 9.197 6.845 374 HG22 THR 48 1HG2 THR 48 -7.706 7.661 6.237 375 HG23 THR 48 2HG2 THR 48 -7.815 9.114 5.241 376 H LYS 49 H LYS 49 -4.397 8.964 2.903 377 HA LYS 49 HA LYS 49 -2.684 7.414 1.470 378 HB2 LYS 49 2HB LYS 49 -2.685 9.868 1.400 379 HB3 LYS 49 3HB LYS 49 -1.969 9.929 3.005 380 HG2 LYS 49 2HG LYS 49 -0.268 10.364 1.364 381 HG3 LYS 49 3HG LYS 49 0.048 8.799 2.113 382 HD2 LYS 49 2HD LYS 49 -1.007 7.690 0.170 383 HD3 LYS 49 3HD LYS 49 -1.252 9.267 -0.579 384 HE2 LYS 49 2HE LYS 49 1.437 8.108 0.172 385 HE3 LYS 49 3HE LYS 49 0.737 8.062 -1.446 386 HZ1 LYS 49 3HZ LYS 49 0.684 10.520 -1.380 387 HZ2 LYS 49 1HZ LYS 49 2.246 9.876 -1.319 388 HZ3 LYS 49 2HZ LYS 49 1.525 10.478 0.085 389 H THR 50 H THR 50 -1.876 8.577 4.764 390 HA THR 50 HA THR 50 0.537 7.200 5.032 391 HB THR 50 HB THR 50 -1.364 7.904 7.286 392 HG1 THR 50 HG1 THR 50 -0.974 9.854 6.496 393 HG21 THR 50 3HG2 THR 50 0.676 8.016 8.659 394 HG22 THR 50 1HG2 THR 50 1.632 7.481 7.273 395 HG23 THR 50 2HG2 THR 50 0.436 6.404 7.988 396 H GLU 51 H GLU 51 -2.740 6.177 6.000 397 HA GLU 51 HA GLU 51 -1.917 3.829 7.351 398 HB2 GLU 51 2HB GLU 51 -4.603 4.535 6.155 399 HB3 GLU 51 3HB GLU 51 -4.307 3.182 7.240 400 HG2 GLU 51 2HG GLU 51 -3.571 4.767 8.978 401 HG3 GLU 51 3HG GLU 51 -3.950 6.102 7.892 402 H LEU 52 H LEU 52 -3.000 4.358 3.998 403 HA LEU 52 HA LEU 52 -3.088 1.637 3.246 404 HB2 LEU 52 2HB LEU 52 -2.486 4.049 1.523 405 HB3 LEU 52 3HB LEU 52 -2.915 2.456 0.926 406 HG LEU 52 HG LEU 52 -4.684 4.352 2.473 407 HD11 LEU 52 1HD1 LEU 52 -6.060 4.319 0.455 408 HD12 LEU 52 2HD1 LEU 52 -4.889 3.262 -0.334 409 HD13 LEU 52 3HD1 LEU 52 -4.430 4.904 0.116 410 HD21 LEU 52 3HD2 LEU 52 -5.119 2.101 3.255 411 HD22 LEU 52 1HD2 LEU 52 -5.249 1.517 1.597 412 HD23 LEU 52 2HD2 LEU 52 -6.446 2.644 2.232 413 H ILE 53 H ILE 53 -0.466 4.020 3.101 414 HA ILE 53 HA ILE 53 1.512 2.474 1.866 415 HB ILE 53 HB ILE 53 1.949 4.479 4.096 416 HG12 ILE 53 2HG1 ILE 53 1.957 5.083 1.135 417 HG13 ILE 53 3HG1 ILE 53 0.504 5.251 2.114 418 HG21 ILE 53 1HG2 ILE 53 3.942 3.183 3.552 419 HG22 ILE 53 2HG2 ILE 53 4.125 4.848 3.008 420 HG23 ILE 53 3HG2 ILE 53 3.756 3.578 1.844 421 HD11 ILE 53 3HD1 ILE 53 1.633 6.887 3.518 422 HD12 ILE 53 1HD1 ILE 53 1.641 7.370 1.823 423 HD13 ILE 53 2HD1 ILE 53 3.099 6.703 2.555 424 H GLU 54 H GLU 54 0.945 2.950 5.365 425 HA GLU 54 HA GLU 54 2.832 1.006 6.193 426 HB2 GLU 54 2HB GLU 54 0.515 2.288 7.645 427 HB3 GLU 54 3HB GLU 54 1.661 1.201 8.419 428 HG2 GLU 54 2HG GLU 54 2.290 3.857 7.136 429 HG3 GLU 54 3HG GLU 54 2.262 3.500 8.862 430 H ARG 55 H ARG 55 -0.494 0.755 5.214 431 HA ARG 55 HA ARG 55 -1.053 -1.808 6.295 432 HB2 ARG 55 2HB ARG 55 -2.784 -0.251 5.419 433 HB3 ARG 55 3HB ARG 55 -2.180 -0.527 3.792 434 HG2 ARG 55 2HG ARG 55 -2.835 -2.859 3.904 435 HG3 ARG 55 3HG ARG 55 -3.347 -2.661 5.581 436 HD2 ARG 55 2HD ARG 55 -4.552 -1.318 3.155 437 HD3 ARG 55 3HD ARG 55 -5.284 -2.604 4.115 438 HE ARG 55 HE ARG 55 -4.710 -0.450 5.811 439 HH11 ARG 55 1HH1 ARG 55 -6.845 -1.199 3.205 440 HH12 ARG 55 2HH1 ARG 55 -8.061 -0.097 3.752 441 HH21 ARG 55 1HH2 ARG 55 -6.274 0.953 6.484 442 HH22 ARG 55 2HH2 ARG 55 -7.742 1.097 5.581 443 H LEU 56 H LEU 56 0.163 -0.771 3.104 444 HA LEU 56 HA LEU 56 0.582 -3.329 2.009 445 HB2 LEU 56 2HB LEU 56 1.973 -0.689 1.539 446 HB3 LEU 56 3HB LEU 56 2.345 -2.128 0.609 447 HG LEU 56 HG LEU 56 -0.388 -0.822 0.720 448 HD11 LEU 56 1HD1 LEU 56 1.237 0.621 -0.396 449 HD12 LEU 56 2HD1 LEU 56 0.096 -0.057 -1.553 450 HD13 LEU 56 3HD1 LEU 56 1.729 -0.713 -1.434 451 HD21 LEU 56 3HD2 LEU 56 -0.503 -3.210 0.273 452 HD22 LEU 56 1HD2 LEU 56 0.705 -3.058 -1.001 453 HD23 LEU 56 2HD2 LEU 56 -0.878 -2.299 -1.189 454 H ARG 57 H ARG 57 2.832 -1.220 3.804 455 HA ARG 57 HA ARG 57 5.020 -2.989 3.820 456 HB2 ARG 57 2HB ARG 57 4.261 -0.795 5.766 457 HB3 ARG 57 3HB ARG 57 5.805 -1.640 5.792 458 HG2 ARG 57 2HG ARG 57 6.308 -0.832 3.547 459 HG3 ARG 57 3HG ARG 57 4.747 -0.014 3.480 460 HD2 ARG 57 2HD ARG 57 5.381 1.484 5.244 461 HD3 ARG 57 3HD ARG 57 6.859 0.574 5.555 462 HE ARG 57 HE ARG 57 7.474 1.274 3.184 463 HH11 ARG 57 1HH1 ARG 57 5.548 3.197 5.303 464 HH12 ARG 57 2HH1 ARG 57 6.015 4.683 4.553 465 HH21 ARG 57 1HH2 ARG 57 8.086 3.191 2.252 466 HH22 ARG 57 2HH2 ARG 57 7.426 4.686 2.830 467 H ALA 58 H ALA 58 2.294 -2.663 6.064 468 HA ALA 58 HA ALA 58 3.199 -4.518 7.998 469 HB1 ALA 58 3HB ALA 58 0.862 -4.587 8.750 470 HB2 ALA 58 1HB ALA 58 0.371 -3.728 7.287 471 HB3 ALA 58 2HB ALA 58 1.406 -2.934 8.472 472 H TYR 59 H TYR 59 1.202 -4.875 5.090 473 HA TYR 59 HA TYR 59 0.525 -7.577 5.334 474 HB2 TYR 59 2HB TYR 59 -0.501 -6.094 3.682 475 HB3 TYR 59 3HB TYR 59 1.030 -5.946 2.826 476 HD1 TYR 59 HD2 TYR 59 -1.365 -8.589 3.972 477 HD2 TYR 59 HD1 TYR 59 1.376 -7.310 0.970 478 HE1 TYR 59 HE2 TYR 59 -1.966 -10.534 2.599 479 HE2 TYR 59 HE1 TYR 59 0.778 -9.255 -0.407 480 HH TYR 59 HH TYR 59 -1.932 -11.206 0.254 481 H GLN 60 H GLN 60 3.321 -6.109 3.657 482 HA GLN 60 HA GLN 60 4.588 -8.536 2.972 483 HB2 GLN 60 2HB GLN 60 5.713 -5.771 3.436 484 HB3 GLN 60 3HB GLN 60 6.671 -7.112 2.824 485 HG2 GLN 60 2HG GLN 60 4.183 -6.068 1.487 486 HG3 GLN 60 3HG GLN 60 5.815 -5.550 1.082 487 HE21 GLN 60 1HE2 GLN 60 6.965 -8.205 1.414 488 HE22 GLN 60 2HE2 GLN 60 6.453 -9.118 0.044 489 H ASP 61 H ASP 61 4.891 -6.475 5.845 490 HA ASP 61 HA ASP 61 6.994 -7.770 7.131 491 HB2 ASP 61 2HB ASP 61 6.173 -5.635 7.902 492 HB3 ASP 61 3HB ASP 61 4.597 -6.322 8.285 493 H GLN 62 H GLN 62 3.492 -8.450 7.381 494 HA GLN 62 HA GLN 62 3.802 -10.498 9.336 495 HB2 GLN 62 2HB GLN 62 1.449 -10.985 8.972 496 HB3 GLN 62 3HB GLN 62 1.703 -9.248 9.055 497 HG2 GLN 62 2HG GLN 62 1.643 -9.173 6.576 498 HG3 GLN 62 3HG GLN 62 1.241 -10.889 6.571 499 HE21 GLN 62 1HE2 GLN 62 0.059 -8.546 8.910 500 HE22 GLN 62 2HE2 GLN 62 -1.592 -8.613 8.403 501 H ILE 63 H ILE 63 3.799 -10.543 5.810 502 HA ILE 63 HA ILE 63 3.840 -13.478 5.782 503 HB ILE 63 HB ILE 63 3.664 -13.357 3.373 504 HG12 ILE 63 2HG1 ILE 63 3.896 -10.345 3.682 505 HG13 ILE 63 3HG1 ILE 63 5.123 -11.399 2.989 506 HG21 ILE 63 1HG2 ILE 63 1.503 -12.235 3.148 507 HG22 ILE 63 2HG2 ILE 63 1.777 -11.385 4.670 508 HG23 ILE 63 3HG2 ILE 63 1.598 -13.142 4.658 509 HD11 ILE 63 3HD1 ILE 63 3.586 -11.973 1.169 510 HD12 ILE 63 1HD1 ILE 63 3.899 -10.239 1.258 511 HD13 ILE 63 2HD1 ILE 63 2.377 -10.889 1.861 512 H SER 64 H SER 64 6.076 -11.267 6.405 513 HA SER 64 HA SER 64 8.344 -11.258 6.469 514 HB2 SER 64 2HB SER 64 8.298 -13.680 6.793 515 HB3 SER 64 3HB SER 64 8.169 -13.931 5.052 516 HG SER 64 HG SER 64 10.363 -13.754 6.458 517 HA PRO 65 HA PRO 65 8.660 -9.316 2.374 518 HB2 PRO 65 2HB PRO 65 10.789 -7.738 3.660 519 HB3 PRO 65 3HB PRO 65 9.281 -7.190 2.921 520 HG2 PRO 65 2HG PRO 65 9.681 -7.115 5.592 521 HG3 PRO 65 3HG PRO 65 8.082 -7.420 4.883 522 HD2 PRO 65 2HD PRO 65 10.047 -9.376 6.042 523 HD3 PRO 65 3HD PRO 65 8.280 -9.308 6.233 524 H VAL 66 H VAL 66 9.718 -10.601 0.934 525 HA VAL 66 HA VAL 66 12.478 -11.424 1.546 526 HB VAL 66 HB VAL 66 12.195 -13.139 -0.217 527 HG11 VAL 66 1HG1 VAL 66 10.043 -13.184 1.905 528 HG12 VAL 66 2HG1 VAL 66 11.717 -13.694 2.117 529 HG13 VAL 66 3HG1 VAL 66 10.657 -14.586 1.026 530 HG21 VAL 66 3HG2 VAL 66 10.542 -11.979 -1.605 531 HG22 VAL 66 1HG2 VAL 66 9.334 -12.163 -0.331 532 HG23 VAL 66 2HG2 VAL 66 9.975 -13.587 -1.153 533 HA PRO 67 HA PRO 67 13.884 -8.652 -1.698 534 HB2 PRO 67 2HB PRO 67 16.498 -9.284 -1.629 535 HB3 PRO 67 3HB PRO 67 15.729 -8.377 -0.321 536 HG2 PRO 67 2HG PRO 67 16.398 -11.299 -0.457 537 HG3 PRO 67 3HG PRO 67 16.626 -10.160 0.884 538 HD2 PRO 67 2HD PRO 67 14.519 -11.904 0.726 539 HD3 PRO 67 3HD PRO 67 14.442 -10.349 1.579 540 H GLY 68 H GLY 68 13.503 -11.937 -1.922 541 HA2 GLY 68 2HA GLY 68 13.116 -12.763 -4.249 542 HA3 GLY 68 3HA GLY 68 14.694 -12.091 -4.636 543 H ALA 69 H ALA 69 15.728 -12.985 -1.973 544 HA ALA 69 HA ALA 69 16.759 -14.742 -0.981 545 HB1 ALA 69 3HB ALA 69 15.790 -16.979 -1.129 546 HB2 ALA 69 1HB ALA 69 14.777 -16.462 -2.476 547 HB3 ALA 69 2HB ALA 69 14.536 -15.766 -0.877 548 HA PRO 70 HA PRO 70 19.889 -16.135 -3.841 549 HB2 PRO 70 2HB PRO 70 20.871 -18.356 -2.614 550 HB3 PRO 70 3HB PRO 70 21.175 -16.717 -2.027 551 HG2 PRO 70 2HG PRO 70 19.157 -18.724 -1.077 552 HG3 PRO 70 3HG PRO 70 20.227 -17.677 -0.123 553 HD2 PRO 70 2HD PRO 70 17.616 -17.092 -0.550 554 HD3 PRO 70 3HD PRO 70 18.857 -15.832 -0.387 555 H LYS 71 H LYS 71 17.088 -17.185 -4.278 556 HA LYS 71 HA LYS 71 17.395 -19.874 -5.274 557 HB2 LYS 71 2HB LYS 71 15.157 -17.856 -5.582 558 HB3 LYS 71 3HB LYS 71 15.072 -19.532 -6.107 559 HG2 LYS 71 2HG LYS 71 15.163 -20.329 -3.871 560 HG3 LYS 71 3HG LYS 71 15.590 -18.736 -3.250 561 HD2 LYS 71 2HD LYS 71 13.277 -19.171 -2.750 562 HD3 LYS 71 3HD LYS 71 13.368 -17.901 -3.967 563 HE2 LYS 71 2HE LYS 71 12.840 -20.813 -4.582 564 HE3 LYS 71 3HE LYS 71 11.577 -19.605 -4.365 565 HZ1 LYS 71 3HZ LYS 71 12.728 -18.350 -6.222 566 HZ2 LYS 71 1HZ LYS 71 11.910 -19.769 -6.660 567 HZ3 LYS 71 2HZ LYS 71 13.593 -19.776 -6.522 568 H ALA 72 H ALA 72 19.154 -19.558 -6.755 569 HA ALA 72 HA ALA 72 18.594 -17.890 -9.117 570 HB1 ALA 72 3HB ALA 72 20.645 -17.366 -7.917 571 HB2 ALA 72 1HB ALA 72 21.002 -17.967 -9.534 572 HB3 ALA 72 2HB ALA 72 21.215 -19.021 -8.134 573 HA PRO 73 HA PRO 73 18.300 -21.885 -11.309 574 HB2 PRO 73 2HB PRO 73 16.566 -21.107 -13.187 575 HB3 PRO 73 3HB PRO 73 16.031 -21.382 -11.523 576 HG2 PRO 73 2HG PRO 73 16.620 -18.797 -12.923 577 HG3 PRO 73 3HG PRO 73 15.292 -19.192 -11.815 578 HD2 PRO 73 2HD PRO 73 17.628 -17.868 -11.094 579 HD3 PRO 73 3HD PRO 73 16.556 -18.721 -9.966 580 H ALA 74 H ALA 74 20.042 -19.235 -11.834 581 HA ALA 74 HA ALA 74 20.563 -19.604 -14.696 582 HB1 ALA 74 3HB ALA 74 20.231 -17.324 -13.878 583 HB2 ALA 74 1HB ALA 74 21.861 -17.539 -14.516 584 HB3 ALA 74 2HB ALA 74 21.593 -17.514 -12.774 585 H ALA 75 H ALA 75 23.222 -18.854 -14.874 586 HA ALA 75 HA ALA 75 24.844 -20.503 -13.109 587 HB1 ALA 75 3HB ALA 75 24.701 -21.142 -16.060 588 HB2 ALA 75 1HB ALA 75 24.032 -22.130 -14.760 589 HB3 ALA 75 2HB ALA 75 25.774 -21.898 -14.881 Start of MODEL 15 1 H1 MET 1 1H MET 1 -48.487 -12.463 -26.003 2 H2 MET 1 2H MET 1 -47.775 -11.284 -25.023 3 H3 MET 1 3H MET 1 -47.094 -12.830 -25.118 4 HA MET 1 HA MET 1 -46.541 -12.502 -27.427 5 HB2 MET 1 2HB MET 1 -47.747 -9.761 -26.975 6 HB3 MET 1 3HB MET 1 -46.777 -10.189 -28.376 7 HG2 MET 1 2HG MET 1 -48.427 -11.890 -28.991 8 HG3 MET 1 3HG MET 1 -49.403 -11.435 -27.596 9 HE1 MET 1 3HE MET 1 -47.337 -9.012 -29.912 10 HE2 MET 1 1HE MET 1 -48.540 -8.580 -31.126 11 HE3 MET 1 2HE MET 1 -47.922 -10.228 -31.045 12 H GLY 2 H GLY 2 -45.024 -10.239 -28.085 13 HA2 GLY 2 2HA GLY 2 -43.368 -8.797 -26.949 14 HA3 GLY 2 3HA GLY 2 -43.130 -10.113 -25.808 15 H HIS 3 H HIS 3 -40.928 -9.111 -27.046 16 HA HIS 3 HA HIS 3 -40.213 -11.284 -28.898 17 HB2 HIS 3 2HB HIS 3 -39.583 -8.349 -29.305 18 HB3 HIS 3 3HB HIS 3 -38.869 -9.656 -30.247 19 HD1 HIS 3 HD1 HIS 3 -40.516 -11.010 -31.809 20 HD2 HIS 3 HD2 HIS 3 -42.116 -7.587 -30.083 21 HE1 HIS 3 HE1 HIS 3 -42.621 -10.534 -33.086 22 HE2 HIS 3 HE2 HIS 3 -43.673 -8.595 -31.880 23 H HIS 4 H HIS 4 -37.884 -11.624 -29.123 24 HA HIS 4 HA HIS 4 -36.445 -10.967 -26.626 25 HB2 HIS 4 2HB HIS 4 -35.350 -13.217 -26.852 26 HB3 HIS 4 3HB HIS 4 -37.075 -13.280 -26.510 27 HD1 HIS 4 HD1 HIS 4 -34.543 -14.311 -28.996 28 HD2 HIS 4 HD2 HIS 4 -38.685 -14.100 -28.740 29 HE1 HIS 4 HE1 HIS 4 -35.405 -15.719 -30.881 30 HE2 HIS 4 HE2 HIS 4 -37.904 -15.693 -30.620 31 H HIS 5 H HIS 5 -34.472 -10.094 -26.837 32 HA HIS 5 HA HIS 5 -33.119 -10.247 -29.450 33 HB2 HIS 5 2HB HIS 5 -34.272 -8.085 -29.303 34 HB3 HIS 5 3HB HIS 5 -33.464 -7.741 -27.778 35 HD1 HIS 5 HD1 HIS 5 -31.313 -6.498 -27.938 36 HD2 HIS 5 HD2 HIS 5 -32.364 -8.260 -31.553 37 HE1 HIS 5 HE1 HIS 5 -29.622 -5.690 -29.600 38 HE2 HIS 5 HE2 HIS 5 -30.354 -6.654 -31.801 39 H HIS 6 H HIS 6 -31.007 -10.739 -29.337 40 HA HIS 6 HA HIS 6 -29.708 -10.709 -26.686 41 HB2 HIS 6 2HB HIS 6 -29.130 -12.409 -29.126 42 HB3 HIS 6 3HB HIS 6 -28.178 -12.434 -27.643 43 HD1 HIS 6 HD1 HIS 6 -31.281 -13.732 -29.160 44 HD2 HIS 6 HD2 HIS 6 -29.530 -13.580 -25.397 45 HE1 HIS 6 HE1 HIS 6 -32.556 -15.372 -27.765 46 HE2 HIS 6 HE2 HIS 6 -31.365 -15.398 -25.551 47 H HIS 7 H HIS 7 -27.434 -10.229 -26.588 48 HA HIS 7 HA HIS 7 -26.209 -8.881 -28.866 49 HB2 HIS 7 2HB HIS 7 -27.384 -7.072 -27.707 50 HB3 HIS 7 3HB HIS 7 -26.603 -7.509 -26.191 51 HD1 HIS 7 HD1 HIS 7 -24.828 -5.893 -25.663 52 HD2 HIS 7 HD2 HIS 7 -25.111 -6.558 -29.752 53 HE1 HIS 7 HE1 HIS 7 -23.031 -4.490 -26.699 54 HE2 HIS 7 HE2 HIS 7 -23.107 -5.044 -29.142 55 H HIS 8 H HIS 8 -24.292 -9.820 -29.063 56 HA HIS 8 HA HIS 8 -22.985 -10.966 -26.679 57 HB2 HIS 8 2HB HIS 8 -23.639 -12.559 -28.449 58 HB3 HIS 8 3HB HIS 8 -22.653 -11.677 -29.609 59 HD1 HIS 8 HD1 HIS 8 -22.407 -14.016 -26.696 60 HD2 HIS 8 HD2 HIS 8 -19.912 -12.199 -29.480 61 HE1 HIS 8 HE1 HIS 8 -20.195 -15.184 -26.478 62 HE2 HIS 8 HE2 HIS 8 -18.772 -14.207 -28.310 63 H SER 9 H SER 9 -21.486 -9.591 -25.897 64 HA SER 9 HA SER 9 -19.685 -8.199 -27.778 65 HB2 SER 9 2HB SER 9 -20.318 -7.621 -24.868 66 HB3 SER 9 3HB SER 9 -19.089 -6.768 -25.799 67 HG SER 9 HG SER 9 -20.864 -5.532 -26.001 68 H HIS 10 H HIS 10 -18.034 -9.601 -28.193 69 HA HIS 10 HA HIS 10 -16.857 -11.263 -26.165 70 HB2 HIS 10 2HB HIS 10 -16.911 -11.865 -28.590 71 HB3 HIS 10 3HB HIS 10 -15.747 -10.583 -28.902 72 HD1 HIS 10 HD1 HIS 10 -13.310 -11.121 -28.516 73 HD2 HIS 10 HD2 HIS 10 -15.847 -14.062 -27.036 74 HE1 HIS 10 HE1 HIS 10 -11.823 -13.042 -27.890 75 HE2 HIS 10 HE2 HIS 10 -13.352 -14.716 -26.812 76 H MET 11 H MET 11 -16.063 -10.023 -24.517 77 HA MET 11 HA MET 11 -14.100 -7.924 -25.124 78 HB2 MET 11 2HB MET 11 -14.346 -7.433 -22.625 79 HB3 MET 11 3HB MET 11 -15.737 -7.103 -23.646 80 HG2 MET 11 2HG MET 11 -16.654 -9.340 -22.958 81 HG3 MET 11 3HG MET 11 -15.348 -9.428 -21.778 82 HE1 MET 11 3HE MET 11 -18.676 -9.445 -21.374 83 HE2 MET 11 1HE MET 11 -18.749 -8.610 -19.823 84 HE3 MET 11 2HE MET 11 -17.520 -9.842 -20.103 85 H SER 12 H SER 12 -12.137 -7.799 -23.757 86 HA SER 12 HA SER 12 -10.854 -10.414 -23.891 87 HB2 SER 12 2HB SER 12 -9.635 -7.667 -23.495 88 HB3 SER 12 3HB SER 12 -8.748 -9.157 -23.817 89 HG SER 12 HG SER 12 -9.975 -7.479 -25.551 90 H THR 13 H THR 13 -8.995 -10.748 -22.295 91 HA THR 13 HA THR 13 -9.941 -10.258 -19.530 92 HB THR 13 HB THR 13 -8.833 -12.402 -18.918 93 HG1 THR 13 HG1 THR 13 -7.431 -13.077 -20.369 94 HG21 THR 13 3HG2 THR 13 -10.917 -12.652 -21.102 95 HG22 THR 13 1HG2 THR 13 -11.234 -12.394 -19.386 96 HG23 THR 13 2HG2 THR 13 -10.503 -13.903 -19.929 97 HA PRO 14 HA PRO 14 -5.885 -8.247 -19.288 98 HB2 PRO 14 2HB PRO 14 -6.169 -7.239 -16.788 99 HB3 PRO 14 3HB PRO 14 -6.956 -6.517 -18.197 100 HG2 PRO 14 2HG PRO 14 -8.100 -8.369 -16.131 101 HG3 PRO 14 3HG PRO 14 -8.809 -6.904 -16.839 102 HD2 PRO 14 2HD PRO 14 -9.475 -9.412 -17.668 103 HD3 PRO 14 3HD PRO 14 -9.490 -8.005 -18.751 104 H LEU 15 H LEU 15 -4.082 -9.422 -18.931 105 HA LEU 15 HA LEU 15 -3.985 -11.644 -17.173 106 HB2 LEU 15 2HB LEU 15 -1.509 -11.615 -17.671 107 HB3 LEU 15 3HB LEU 15 -2.575 -11.758 -19.051 108 HG LEU 15 HG LEU 15 -2.247 -9.232 -19.376 109 HD11 LEU 15 1HD1 LEU 15 -1.297 -8.683 -17.215 110 HD12 LEU 15 2HD1 LEU 15 -0.159 -8.297 -18.503 111 HD13 LEU 15 3HD1 LEU 15 0.078 -9.746 -17.522 112 HD21 LEU 15 3HD2 LEU 15 -1.265 -10.935 -20.831 113 HD22 LEU 15 1HD2 LEU 15 0.124 -11.064 -19.750 114 HD23 LEU 15 2HD2 LEU 15 -0.183 -9.560 -20.621 115 H THR 16 H THR 16 -2.725 -11.950 -15.259 116 HA THR 16 HA THR 16 -2.428 -9.457 -13.694 117 HB THR 16 HB THR 16 -3.206 -12.192 -12.647 118 HG1 THR 16 HG1 THR 16 -4.690 -9.886 -13.364 119 HG21 THR 16 3HG2 THR 16 -1.961 -10.847 -11.006 120 HG22 THR 16 1HG2 THR 16 -3.655 -11.013 -10.543 121 HG23 THR 16 2HG2 THR 16 -3.080 -9.506 -11.258 122 H GLY 17 H GLY 17 -0.336 -9.004 -13.503 123 HA2 GLY 17 2HA GLY 17 1.697 -11.047 -13.245 124 HA3 GLY 17 3HA GLY 17 1.941 -9.307 -13.192 125 H LYS 18 H LYS 18 3.362 -10.760 -11.434 126 HA LYS 18 HA LYS 18 1.933 -10.970 -8.912 127 HB2 LYS 18 2HB LYS 18 4.122 -11.745 -8.019 128 HB3 LYS 18 3HB LYS 18 3.540 -12.684 -9.386 129 HG2 LYS 18 2HG LYS 18 5.055 -11.364 -10.859 130 HG3 LYS 18 3HG LYS 18 5.706 -10.586 -9.415 131 HD2 LYS 18 2HD LYS 18 6.395 -12.780 -8.552 132 HD3 LYS 18 3HD LYS 18 5.740 -13.550 -9.997 133 HE2 LYS 18 2HE LYS 18 7.337 -12.291 -11.378 134 HE3 LYS 18 3HE LYS 18 8.006 -11.557 -9.921 135 HZ1 LYS 18 3HZ LYS 18 8.024 -14.445 -10.602 136 HZ2 LYS 18 1HZ LYS 18 8.584 -13.795 -9.146 137 HZ3 LYS 18 2HZ LYS 18 9.360 -13.405 -10.594 138 HA PRO 19 HA PRO 19 3.389 -6.880 -7.640 139 HB2 PRO 19 2HB PRO 19 1.414 -6.354 -5.939 140 HB3 PRO 19 3HB PRO 19 1.093 -6.438 -7.677 141 HG2 PRO 19 2HG PRO 19 0.471 -8.421 -5.535 142 HG3 PRO 19 3HG PRO 19 -0.444 -8.024 -7.001 143 HD2 PRO 19 2HD PRO 19 1.365 -10.193 -6.643 144 HD3 PRO 19 3HD PRO 19 0.606 -9.674 -8.160 145 H GLY 20 H GLY 20 4.350 -9.503 -6.412 146 HA2 GLY 20 2HA GLY 20 4.193 -9.184 -3.547 147 HA3 GLY 20 3HA GLY 20 5.112 -10.400 -4.411 148 H ALA 21 H ALA 21 5.225 -6.838 -4.185 149 HA ALA 21 HA ALA 21 7.571 -6.676 -2.657 150 HB1 ALA 21 3HB ALA 21 8.682 -7.622 -4.621 151 HB2 ALA 21 1HB ALA 21 9.220 -5.968 -4.316 152 HB3 ALA 21 2HB ALA 21 8.068 -6.299 -5.614 153 H LEU 22 H LEU 22 7.563 -4.699 -1.773 154 HA LEU 22 HA LEU 22 5.848 -2.643 -2.955 155 HB2 LEU 22 2HB LEU 22 7.191 -2.804 -0.252 156 HB3 LEU 22 3HB LEU 22 6.138 -1.498 -0.768 157 HG LEU 22 HG LEU 22 5.309 -4.385 -0.430 158 HD11 LEU 22 1HD1 LEU 22 5.788 -3.239 1.687 159 HD12 LEU 22 2HD1 LEU 22 4.074 -3.603 1.500 160 HD13 LEU 22 3HD1 LEU 22 4.659 -1.959 1.240 161 HD21 LEU 22 3HD2 LEU 22 4.030 -3.295 -2.193 162 HD22 LEU 22 1HD2 LEU 22 3.688 -1.931 -1.129 163 HD23 LEU 22 2HD2 LEU 22 3.026 -3.522 -0.764 164 HA PRO 23 HA PRO 23 9.353 -0.118 -4.222 165 HB2 PRO 23 2HB PRO 23 7.460 2.126 -4.311 166 HB3 PRO 23 3HB PRO 23 8.331 1.346 -5.633 167 HG2 PRO 23 2HG PRO 23 5.659 1.087 -5.325 168 HG3 PRO 23 3HG PRO 23 6.667 -0.218 -5.982 169 HD2 PRO 23 2HD PRO 23 5.592 0.122 -3.194 170 HD3 PRO 23 3HD PRO 23 5.630 -1.334 -4.214 171 H ALA 24 H ALA 24 10.698 1.482 -3.321 172 HA ALA 24 HA ALA 24 10.345 2.129 -0.546 173 HB1 ALA 24 3HB ALA 24 12.567 1.767 -1.517 174 HB2 ALA 24 1HB ALA 24 12.445 3.367 -0.782 175 HB3 ALA 24 2HB ALA 24 12.359 3.193 -2.535 176 H ASN 25 H ASN 25 9.407 3.599 -3.485 177 HA ASN 25 HA ASN 25 9.189 6.303 -2.467 178 HB2 ASN 25 2HB ASN 25 8.409 4.994 -5.072 179 HB3 ASN 25 3HB ASN 25 8.046 6.680 -4.720 180 HD21 ASN 25 1HD2 ASN 25 10.386 7.335 -3.332 181 HD22 ASN 25 2HD2 ASN 25 11.706 7.304 -4.453 182 H LEU 26 H LEU 26 7.497 4.059 -1.217 183 HA LEU 26 HA LEU 26 4.811 4.275 -1.898 184 HB2 LEU 26 2HB LEU 26 6.061 3.894 0.825 185 HB3 LEU 26 3HB LEU 26 4.336 3.769 0.538 186 HG LEU 26 HG LEU 26 6.473 1.991 -0.649 187 HD11 LEU 26 1HD1 LEU 26 6.052 1.545 1.713 188 HD12 LEU 26 2HD1 LEU 26 5.443 0.234 0.703 189 HD13 LEU 26 3HD1 LEU 26 4.324 1.412 1.388 190 HD21 LEU 26 3HD2 LEU 26 4.605 0.685 -1.568 191 HD22 LEU 26 1HD2 LEU 26 4.661 2.313 -2.244 192 HD23 LEU 26 2HD2 LEU 26 3.474 1.913 -1.002 193 H ASP 27 H ASP 27 6.738 6.428 0.125 194 HA ASP 27 HA ASP 27 4.629 8.123 0.972 195 HB2 ASP 27 2HB ASP 27 7.585 8.727 0.659 196 HB3 ASP 27 3HB ASP 27 6.433 9.659 1.614 197 H ASP 28 H ASP 28 6.754 8.152 -1.844 198 HA ASP 28 HA ASP 28 5.904 10.708 -2.834 199 HB2 ASP 28 2HB ASP 28 7.302 8.454 -4.303 200 HB3 ASP 28 3HB ASP 28 7.218 10.139 -4.809 201 H MET 29 H MET 29 4.974 7.371 -3.396 202 HA MET 29 HA MET 29 3.622 7.653 -5.830 203 HB2 MET 29 2HB MET 29 3.311 5.639 -3.605 204 HB3 MET 29 3HB MET 29 2.452 5.519 -5.133 205 HG2 MET 29 2HG MET 29 4.512 5.319 -6.345 206 HG3 MET 29 3HG MET 29 5.449 5.630 -4.887 207 HE1 MET 29 3HE MET 29 2.869 1.836 -5.415 208 HE2 MET 29 1HE MET 29 2.915 3.140 -6.599 209 HE3 MET 29 2HE MET 29 2.198 3.417 -5.011 210 H LYS 30 H LYS 30 1.548 8.011 -6.406 211 HA LYS 30 HA LYS 30 -0.031 9.698 -4.761 212 HB2 LYS 30 2HB LYS 30 -0.694 8.307 -7.362 213 HB3 LYS 30 3HB LYS 30 -1.667 9.572 -6.628 214 HG2 LYS 30 2HG LYS 30 0.078 11.186 -6.926 215 HG3 LYS 30 3HG LYS 30 1.210 9.938 -7.450 216 HD2 LYS 30 2HD LYS 30 -1.331 10.674 -8.916 217 HD3 LYS 30 3HD LYS 30 0.271 11.290 -9.319 218 HE2 LYS 30 2HE LYS 30 1.045 9.009 -9.762 219 HE3 LYS 30 3HE LYS 30 -0.546 8.379 -9.334 220 HZ1 LYS 30 3HZ LYS 30 -1.489 9.590 -11.192 221 HZ2 LYS 30 1HZ LYS 30 -0.263 8.558 -11.728 222 HZ3 LYS 30 2HZ LYS 30 0.026 10.218 -11.594 223 H VAL 31 H VAL 31 -2.084 9.379 -3.882 224 HA VAL 31 HA VAL 31 -2.562 7.148 -2.358 225 HB VAL 31 HB VAL 31 -4.621 9.069 -3.478 226 HG11 VAL 31 1HG1 VAL 31 -6.024 8.430 -1.562 227 HG12 VAL 31 2HG1 VAL 31 -4.842 7.205 -1.109 228 HG13 VAL 31 3HG1 VAL 31 -5.720 7.060 -2.629 229 HG21 VAL 31 3HG2 VAL 31 -3.100 9.097 -0.864 230 HG22 VAL 31 1HG2 VAL 31 -4.352 10.248 -1.341 231 HG23 VAL 31 2HG2 VAL 31 -2.832 10.176 -2.233 232 H ALA 32 H ALA 32 -3.906 7.793 -5.595 233 HA ALA 32 HA ALA 32 -5.559 5.528 -5.791 234 HB1 ALA 32 3HB ALA 32 -4.152 6.998 -8.018 235 HB2 ALA 32 1HB ALA 32 -5.709 7.434 -7.315 236 HB3 ALA 32 2HB ALA 32 -5.534 5.917 -8.196 237 H GLU 33 H GLU 33 -2.132 5.948 -6.584 238 HA GLU 33 HA GLU 33 -1.801 3.433 -7.867 239 HB2 GLU 33 2HB GLU 33 0.371 5.026 -6.490 240 HB3 GLU 33 3HB GLU 33 0.558 3.863 -7.796 241 HG2 GLU 33 2HG GLU 33 -0.666 6.608 -7.936 242 HG3 GLU 33 3HG GLU 33 0.801 6.035 -8.722 243 H LEU 34 H LEU 34 -1.375 4.517 -4.528 244 HA LEU 34 HA LEU 34 -0.305 2.146 -3.453 245 HB2 LEU 34 2HB LEU 34 -2.147 4.150 -2.134 246 HB3 LEU 34 3HB LEU 34 -1.182 2.953 -1.291 247 HG LEU 34 HG LEU 34 -0.127 5.299 -2.884 248 HD11 LEU 34 1HD1 LEU 34 0.687 6.087 -0.698 249 HD12 LEU 34 2HD1 LEU 34 -0.142 4.736 0.085 250 HD13 LEU 34 3HD1 LEU 34 -1.073 5.977 -0.761 251 HD21 LEU 34 3HD2 LEU 34 1.362 3.384 -3.107 252 HD22 LEU 34 1HD2 LEU 34 1.378 3.169 -1.357 253 HD23 LEU 34 2HD2 LEU 34 2.089 4.614 -2.076 254 H LYS 35 H LYS 35 -3.690 3.218 -3.799 255 HA LYS 35 HA LYS 35 -4.881 0.872 -2.766 256 HB2 LYS 35 2HB LYS 35 -5.992 2.864 -4.757 257 HB3 LYS 35 3HB LYS 35 -6.941 1.650 -3.906 258 HG2 LYS 35 2HG LYS 35 -6.281 2.707 -1.761 259 HG3 LYS 35 3HG LYS 35 -5.454 3.969 -2.675 260 HD2 LYS 35 2HD LYS 35 -7.592 4.594 -3.727 261 HD3 LYS 35 3HD LYS 35 -8.415 3.336 -2.800 262 HE2 LYS 35 2HE LYS 35 -7.702 4.467 -0.711 263 HE3 LYS 35 3HE LYS 35 -6.982 5.752 -1.683 264 HZ1 LYS 35 3HZ LYS 35 -9.123 6.462 -0.981 265 HZ2 LYS 35 1HZ LYS 35 -9.855 5.033 -1.505 266 HZ3 LYS 35 2HZ LYS 35 -9.238 6.127 -2.634 267 H GLN 36 H GLN 36 -3.614 1.659 -5.923 268 HA GLN 36 HA GLN 36 -4.822 -0.378 -7.437 269 HB2 GLN 36 2HB GLN 36 -3.611 1.538 -8.431 270 HB3 GLN 36 3HB GLN 36 -2.094 0.885 -7.826 271 HG2 GLN 36 2HG GLN 36 -2.369 0.412 -10.194 272 HG3 GLN 36 3HG GLN 36 -2.345 -1.075 -9.250 273 HE21 GLN 36 1HE2 GLN 36 -3.405 -2.224 -10.869 274 HE22 GLN 36 2HE2 GLN 36 -5.080 -1.997 -11.217 275 H GLU 37 H GLU 37 -1.874 -0.410 -5.439 276 HA GLU 37 HA GLU 37 -1.334 -3.177 -6.095 277 HB2 GLU 37 2HB GLU 37 -0.106 -1.333 -4.040 278 HB3 GLU 37 3HB GLU 37 0.411 -2.997 -4.290 279 HG2 GLU 37 2HG GLU 37 0.830 -2.367 -6.711 280 HG3 GLU 37 3HG GLU 37 0.604 -0.691 -6.214 281 H LEU 38 H LEU 38 -2.994 -1.460 -3.507 282 HA LEU 38 HA LEU 38 -3.302 -3.561 -1.680 283 HB2 LEU 38 2HB LEU 38 -5.173 -1.297 -2.371 284 HB3 LEU 38 3HB LEU 38 -5.457 -2.403 -1.041 285 HG LEU 38 HG LEU 38 -3.059 -0.573 -1.285 286 HD11 LEU 38 1HD1 LEU 38 -5.529 -0.344 0.440 287 HD12 LEU 38 2HD1 LEU 38 -5.104 0.693 -0.925 288 HD13 LEU 38 3HD1 LEU 38 -4.105 0.697 0.530 289 HD21 LEU 38 3HD2 LEU 38 -2.577 -2.616 -0.024 290 HD22 LEU 38 1HD2 LEU 38 -3.980 -2.323 1.007 291 HD23 LEU 38 2HD2 LEU 38 -2.612 -1.207 1.034 292 H LYS 39 H LYS 39 -5.528 -2.607 -4.316 293 HA LYS 39 HA LYS 39 -7.404 -4.637 -4.010 294 HB2 LYS 39 2HB LYS 39 -8.104 -4.167 -6.285 295 HB3 LYS 39 3HB LYS 39 -7.696 -2.659 -5.476 296 HG2 LYS 39 2HG LYS 39 -5.492 -2.695 -6.594 297 HG3 LYS 39 3HG LYS 39 -5.976 -4.159 -7.448 298 HD2 LYS 39 2HD LYS 39 -6.263 -2.254 -8.900 299 HD3 LYS 39 3HD LYS 39 -7.850 -2.893 -8.472 300 HE2 LYS 39 2HE LYS 39 -8.248 -1.112 -6.945 301 HE3 LYS 39 3HE LYS 39 -6.565 -0.592 -7.009 302 HZ1 LYS 39 3HZ LYS 39 -6.878 0.057 -9.303 303 HZ2 LYS 39 1HZ LYS 39 -7.995 0.849 -8.310 304 HZ3 LYS 39 2HZ LYS 39 -8.488 -0.457 -9.267 305 H LEU 40 H LEU 40 -4.318 -4.699 -5.732 306 HA LEU 40 HA LEU 40 -4.716 -7.187 -7.047 307 HB2 LEU 40 2HB LEU 40 -2.170 -5.724 -6.340 308 HB3 LEU 40 3HB LEU 40 -2.244 -7.138 -7.374 309 HG LEU 40 HG LEU 40 -3.526 -4.460 -7.964 310 HD11 LEU 40 1HD1 LEU 40 -1.130 -5.797 -9.227 311 HD12 LEU 40 2HD1 LEU 40 -1.085 -4.404 -8.144 312 HD13 LEU 40 3HD1 LEU 40 -1.853 -4.266 -9.726 313 HD21 LEU 40 3HD2 LEU 40 -4.844 -6.281 -8.891 314 HD22 LEU 40 1HD2 LEU 40 -3.400 -6.980 -9.622 315 HD23 LEU 40 2HD2 LEU 40 -4.003 -5.417 -10.178 316 H ARG 41 H ARG 41 -3.594 -6.352 -3.836 317 HA ARG 41 HA ARG 41 -2.791 -9.153 -3.364 318 HB2 ARG 41 2HB ARG 41 -2.171 -6.688 -1.719 319 HB3 ARG 41 3HB ARG 41 -1.574 -8.312 -1.404 320 HG2 ARG 41 2HG ARG 41 -0.497 -8.230 -3.696 321 HG3 ARG 41 3HG ARG 41 -0.899 -6.512 -3.724 322 HD2 ARG 41 2HD ARG 41 0.861 -7.927 -1.717 323 HD3 ARG 41 3HD ARG 41 1.385 -6.815 -2.979 324 HE ARG 41 HE ARG 41 -0.347 -5.339 -1.523 325 HH11 ARG 41 1HH1 ARG 41 2.440 -7.199 -0.737 326 HH12 ARG 41 2HH1 ARG 41 2.854 -6.204 0.610 327 HH21 ARG 41 1HH2 ARG 41 0.184 -4.099 0.242 328 HH22 ARG 41 2HH2 ARG 41 1.589 -4.485 1.165 329 H SER 42 H SER 42 -5.600 -7.954 -3.320 330 HA SER 42 HA SER 42 -7.555 -8.389 -2.223 331 HB2 SER 42 2HB SER 42 -6.640 -10.690 -2.099 332 HB3 SER 42 3HB SER 42 -5.876 -10.293 -0.562 333 HG SER 42 HG SER 42 -7.969 -9.938 0.305 334 H LEU 43 H LEU 43 -5.783 -6.264 -1.273 335 HA LEU 43 HA LEU 43 -6.448 -6.090 1.583 336 HB2 LEU 43 2HB LEU 43 -4.587 -4.496 -0.184 337 HB3 LEU 43 3HB LEU 43 -4.929 -4.062 1.481 338 HG LEU 43 HG LEU 43 -3.764 -6.743 0.716 339 HD11 LEU 43 1HD1 LEU 43 -2.261 -4.958 -0.059 340 HD12 LEU 43 2HD1 LEU 43 -1.575 -5.863 1.287 341 HD13 LEU 43 3HD1 LEU 43 -2.260 -4.262 1.562 342 HD21 LEU 43 3HD2 LEU 43 -3.091 -6.783 3.072 343 HD22 LEU 43 1HD2 LEU 43 -4.840 -6.608 2.909 344 HD23 LEU 43 2HD2 LEU 43 -3.848 -5.206 3.317 345 HA PRO 44 HA PRO 44 -9.765 -3.221 0.784 346 HB2 PRO 44 2HB PRO 44 -9.779 -1.767 3.087 347 HB3 PRO 44 3HB PRO 44 -10.352 -3.435 3.000 348 HG2 PRO 44 2HG PRO 44 -7.695 -2.392 3.913 349 HG3 PRO 44 3HG PRO 44 -8.726 -3.625 4.665 350 HD2 PRO 44 2HD PRO 44 -6.580 -4.271 3.151 351 HD3 PRO 44 3HD PRO 44 -8.047 -5.277 3.182 352 H VAL 45 H VAL 45 -9.873 -1.444 -0.436 353 HA VAL 45 HA VAL 45 -7.617 0.321 -0.728 354 HB VAL 45 HB VAL 45 -8.975 1.495 -2.403 355 HG11 VAL 45 1HG1 VAL 45 -9.253 -0.383 -3.973 356 HG12 VAL 45 2HG1 VAL 45 -9.084 -1.515 -2.631 357 HG13 VAL 45 3HG1 VAL 45 -7.734 -0.472 -3.082 358 HG21 VAL 45 3HG2 VAL 45 -11.159 1.349 -1.315 359 HG22 VAL 45 1HG2 VAL 45 -11.193 -0.395 -1.582 360 HG23 VAL 45 2HG2 VAL 45 -11.240 0.711 -2.957 361 H SER 46 H SER 46 -10.520 0.352 1.143 362 HA SER 46 HA SER 46 -10.881 3.114 1.559 363 HB2 SER 46 2HB SER 46 -12.597 1.543 2.229 364 HB3 SER 46 3HB SER 46 -11.502 0.760 3.367 365 HG SER 46 HG SER 46 -11.796 2.334 4.769 366 H GLY 47 H GLY 47 -9.102 4.337 2.069 367 HA2 GLY 47 2HA GLY 47 -8.285 4.494 4.748 368 HA3 GLY 47 3HA GLY 47 -7.062 3.587 3.878 369 H THR 48 H THR 48 -6.828 6.178 5.216 370 HA THR 48 HA THR 48 -6.432 8.179 3.174 371 HB THR 48 HB THR 48 -5.358 9.512 4.898 372 HG1 THR 48 HG1 THR 48 -5.427 8.141 7.088 373 HG21 THR 48 3HG2 THR 48 -7.813 9.380 4.991 374 HG22 THR 48 1HG2 THR 48 -7.121 9.567 6.604 375 HG23 THR 48 2HG2 THR 48 -7.699 7.987 6.070 376 H LYS 49 H LYS 49 -4.097 9.231 3.085 377 HA LYS 49 HA LYS 49 -2.405 7.564 1.681 378 HB2 LYS 49 2HB LYS 49 -2.269 10.047 1.709 379 HB3 LYS 49 3HB LYS 49 -1.572 9.972 3.320 380 HG2 LYS 49 2HG LYS 49 0.187 10.324 1.718 381 HG3 LYS 49 3HG LYS 49 0.349 8.702 2.395 382 HD2 LYS 49 2HD LYS 49 -0.715 7.757 0.399 383 HD3 LYS 49 3HD LYS 49 -0.920 9.379 -0.269 384 HE2 LYS 49 2HE LYS 49 1.737 8.084 0.371 385 HE3 LYS 49 3HE LYS 49 1.019 8.191 -1.235 386 HZ1 LYS 49 3HZ LYS 49 1.102 10.609 -1.055 387 HZ2 LYS 49 1HZ LYS 49 2.642 9.924 -0.907 388 HZ3 LYS 49 2HZ LYS 49 1.836 10.483 0.465 389 H THR 50 H THR 50 -2.074 8.482 5.123 390 HA THR 50 HA THR 50 0.148 6.902 5.770 391 HB THR 50 HB THR 50 -2.188 7.593 7.580 392 HG1 THR 50 HG1 THR 50 -0.924 9.400 8.138 393 HG21 THR 50 3HG2 THR 50 0.650 6.780 8.247 394 HG22 THR 50 1HG2 THR 50 -0.802 5.823 8.535 395 HG23 THR 50 2HG2 THR 50 -0.553 7.331 9.412 396 H GLU 51 H GLU 51 -3.309 6.120 6.057 397 HA GLU 51 HA GLU 51 -3.142 3.565 7.129 398 HB2 GLU 51 2HB GLU 51 -5.163 4.641 5.144 399 HB3 GLU 51 3HB GLU 51 -5.375 3.184 6.104 400 HG2 GLU 51 2HG GLU 51 -4.953 5.903 7.327 401 HG3 GLU 51 3HG GLU 51 -6.545 5.257 6.933 402 H LEU 52 H LEU 52 -3.144 4.514 3.700 403 HA LEU 52 HA LEU 52 -3.134 1.911 2.622 404 HB2 LEU 52 2HB LEU 52 -1.938 4.384 1.362 405 HB3 LEU 52 3HB LEU 52 -2.482 2.939 0.530 406 HG LEU 52 HG LEU 52 -4.227 4.948 1.963 407 HD11 LEU 52 1HD1 LEU 52 -3.385 5.735 -0.176 408 HD12 LEU 52 2HD1 LEU 52 -5.112 5.399 -0.267 409 HD13 LEU 52 3HD1 LEU 52 -3.954 4.263 -0.963 410 HD21 LEU 52 3HD2 LEU 52 -5.103 2.667 2.223 411 HD22 LEU 52 1HD2 LEU 52 -5.043 2.459 0.472 412 HD23 LEU 52 2HD2 LEU 52 -6.127 3.656 1.181 413 H ILE 53 H ILE 53 -0.435 4.158 3.254 414 HA ILE 53 HA ILE 53 1.640 2.548 2.278 415 HB ILE 53 HB ILE 53 1.719 4.625 4.478 416 HG12 ILE 53 2HG1 ILE 53 2.406 4.805 1.524 417 HG13 ILE 53 3HG1 ILE 53 0.961 5.468 2.281 418 HG21 ILE 53 1HG2 ILE 53 3.996 3.329 2.969 419 HG22 ILE 53 2HG2 ILE 53 3.655 3.191 4.695 420 HG23 ILE 53 3HG2 ILE 53 4.156 4.740 4.018 421 HD11 ILE 53 3HD1 ILE 53 2.590 7.204 1.878 422 HD12 ILE 53 1HD1 ILE 53 3.798 6.323 2.809 423 HD13 ILE 53 2HD1 ILE 53 2.370 6.973 3.611 424 H GLU 54 H GLU 54 0.387 2.804 5.630 425 HA GLU 54 HA GLU 54 2.190 0.855 6.671 426 HB2 GLU 54 2HB GLU 54 -0.449 1.824 7.797 427 HB3 GLU 54 3HB GLU 54 0.726 0.846 8.668 428 HG2 GLU 54 2HG GLU 54 2.378 2.756 8.163 429 HG3 GLU 54 3HG GLU 54 0.941 3.706 7.789 430 H ARG 55 H ARG 55 -1.117 0.663 5.422 431 HA ARG 55 HA ARG 55 -1.632 -2.033 6.061 432 HB2 ARG 55 2HB ARG 55 -3.361 -0.442 5.350 433 HB3 ARG 55 3HB ARG 55 -2.659 -0.383 3.741 434 HG2 ARG 55 2HG ARG 55 -3.260 -2.667 3.318 435 HG3 ARG 55 3HG ARG 55 -3.779 -2.888 4.993 436 HD2 ARG 55 2HD ARG 55 -5.030 -1.000 2.986 437 HD3 ARG 55 3HD ARG 55 -5.692 -2.557 3.486 438 HE ARG 55 HE ARG 55 -5.555 -1.384 5.834 439 HH11 ARG 55 1HH1 ARG 55 -6.658 -0.053 2.845 440 HH12 ARG 55 2HH1 ARG 55 -7.689 1.091 3.628 441 HH21 ARG 55 1HH2 ARG 55 -6.869 0.081 6.804 442 HH22 ARG 55 2HH2 ARG 55 -7.804 1.177 5.841 443 H LEU 56 H LEU 56 -0.234 -0.575 3.123 444 HA LEU 56 HA LEU 56 0.276 -2.932 1.701 445 HB2 LEU 56 2HB LEU 56 1.664 -0.258 1.755 446 HB3 LEU 56 3HB LEU 56 2.246 -1.561 0.735 447 HG LEU 56 HG LEU 56 -0.550 -0.413 0.570 448 HD11 LEU 56 1HD1 LEU 56 0.220 0.701 -1.476 449 HD12 LEU 56 2HD1 LEU 56 1.868 0.165 -1.144 450 HD13 LEU 56 3HD1 LEU 56 1.067 1.293 -0.045 451 HD21 LEU 56 3HD2 LEU 56 -0.639 -1.603 -1.568 452 HD22 LEU 56 1HD2 LEU 56 -0.366 -2.719 -0.230 453 HD23 LEU 56 2HD2 LEU 56 0.972 -2.258 -1.283 454 H ARG 57 H ARG 57 2.407 -1.177 3.958 455 HA ARG 57 HA ARG 57 4.581 -2.935 3.809 456 HB2 ARG 57 2HB ARG 57 3.726 -1.033 5.991 457 HB3 ARG 57 3HB ARG 57 5.238 -1.931 6.044 458 HG2 ARG 57 2HG ARG 57 5.864 -0.870 3.866 459 HG3 ARG 57 3HG ARG 57 4.415 0.126 3.992 460 HD2 ARG 57 2HD ARG 57 6.599 0.049 6.076 461 HD3 ARG 57 3HD ARG 57 6.524 1.233 4.770 462 HE ARG 57 HE ARG 57 4.118 1.498 5.946 463 HH11 ARG 57 1HH1 ARG 57 7.293 1.390 7.279 464 HH12 ARG 57 2HH1 ARG 57 6.926 2.536 8.523 465 HH21 ARG 57 1HH2 ARG 57 3.665 2.965 7.568 466 HH22 ARG 57 2HH2 ARG 57 4.909 3.421 8.676 467 H ALA 58 H ALA 58 1.892 -2.892 6.160 468 HA ALA 58 HA ALA 58 2.771 -4.899 7.870 469 HB1 ALA 58 3HB ALA 58 0.430 -5.155 8.533 470 HB2 ALA 58 1HB ALA 58 -0.079 -4.252 7.105 471 HB3 ALA 58 2HB ALA 58 0.863 -3.455 8.366 472 H TYR 59 H TYR 59 0.627 -5.268 5.033 473 HA TYR 59 HA TYR 59 0.317 -8.042 5.151 474 HB2 TYR 59 2HB TYR 59 -1.017 -6.568 3.692 475 HB3 TYR 59 3HB TYR 59 0.395 -6.285 2.681 476 HD1 TYR 59 HD2 TYR 59 -2.071 -8.829 3.747 477 HD2 TYR 59 HD1 TYR 59 1.041 -7.872 1.000 478 HE1 TYR 59 HE2 TYR 59 -2.699 -10.765 2.368 479 HE2 TYR 59 HE1 TYR 59 0.424 -9.807 -0.382 480 HH TYR 59 HH TYR 59 -2.471 -11.557 0.081 481 H GLN 60 H GLN 60 2.850 -6.127 3.567 482 HA GLN 60 HA GLN 60 4.218 -8.399 2.443 483 HB2 GLN 60 2HB GLN 60 4.270 -5.705 1.977 484 HB3 GLN 60 3HB GLN 60 5.746 -5.894 2.906 485 HG2 GLN 60 2HG GLN 60 5.067 -7.400 0.383 486 HG3 GLN 60 3HG GLN 60 6.109 -5.986 0.475 487 HE21 GLN 60 1HE2 GLN 60 8.164 -6.198 1.425 488 HE22 GLN 60 2HE2 GLN 60 8.904 -7.743 1.625 489 H ASP 61 H ASP 61 4.328 -6.662 5.451 490 HA ASP 61 HA ASP 61 6.912 -7.362 6.339 491 HB2 ASP 61 2HB ASP 61 5.296 -5.542 7.194 492 HB3 ASP 61 3HB ASP 61 4.544 -6.823 8.137 493 H GLN 62 H GLN 62 3.774 -8.947 6.697 494 HA GLN 62 HA GLN 62 4.517 -10.935 8.552 495 HB2 GLN 62 2HB GLN 62 2.397 -11.014 6.394 496 HB3 GLN 62 3HB GLN 62 2.532 -12.178 7.705 497 HG2 GLN 62 2HG GLN 62 2.176 -10.347 9.325 498 HG3 GLN 62 3HG GLN 62 1.963 -9.229 7.978 499 HE21 GLN 62 1HE2 GLN 62 0.571 -11.910 9.720 500 HE22 GLN 62 2HE2 GLN 62 -1.013 -11.778 9.042 501 H ILE 63 H ILE 63 4.895 -10.781 5.056 502 HA ILE 63 HA ILE 63 5.835 -13.577 4.988 503 HB ILE 63 HB ILE 63 5.601 -13.431 2.536 504 HG12 ILE 63 2HG1 ILE 63 4.459 -10.674 3.100 505 HG13 ILE 63 3HG1 ILE 63 5.970 -11.011 2.262 506 HG21 ILE 63 1HG2 ILE 63 3.116 -12.642 4.066 507 HG22 ILE 63 2HG2 ILE 63 3.762 -14.275 3.908 508 HG23 ILE 63 3HG2 ILE 63 3.150 -13.430 2.488 509 HD11 ILE 63 3HD1 ILE 63 3.221 -11.778 1.305 510 HD12 ILE 63 1HD1 ILE 63 4.738 -12.096 0.463 511 HD13 ILE 63 2HD1 ILE 63 4.194 -10.435 0.710 512 H SER 64 H SER 64 7.277 -10.817 5.614 513 HA SER 64 HA SER 64 9.723 -11.459 4.079 514 HB2 SER 64 2HB SER 64 8.843 -9.437 3.109 515 HB3 SER 64 3HB SER 64 8.581 -8.717 4.696 516 HG SER 64 HG SER 64 10.660 -8.245 4.854 517 HA PRO 65 HA PRO 65 11.510 -12.108 8.105 518 HB2 PRO 65 2HB PRO 65 14.141 -11.465 7.390 519 HB3 PRO 65 3HB PRO 65 13.389 -13.057 7.261 520 HG2 PRO 65 2HG PRO 65 13.766 -10.962 5.162 521 HG3 PRO 65 3HG PRO 65 13.896 -12.725 5.025 522 HD2 PRO 65 2HD PRO 65 11.741 -11.426 4.110 523 HD3 PRO 65 3HD PRO 65 11.582 -13.009 4.909 524 H VAL 66 H VAL 66 11.148 -10.678 9.682 525 HA VAL 66 HA VAL 66 11.618 -7.839 9.252 526 HB VAL 66 HB VAL 66 10.365 -7.516 11.350 527 HG11 VAL 66 1HG1 VAL 66 9.152 -7.643 9.240 528 HG12 VAL 66 2HG1 VAL 66 8.200 -8.344 10.548 529 HG13 VAL 66 3HG1 VAL 66 9.029 -9.396 9.398 530 HG21 VAL 66 3HG2 VAL 66 10.190 -10.538 11.404 531 HG22 VAL 66 1HG2 VAL 66 9.302 -9.439 12.463 532 HG23 VAL 66 2HG2 VAL 66 11.061 -9.523 12.555 533 HA PRO 67 HA PRO 67 15.235 -7.821 11.915 534 HB2 PRO 67 2HB PRO 67 15.852 -5.223 11.707 535 HB3 PRO 67 3HB PRO 67 16.001 -6.316 10.325 536 HG2 PRO 67 2HG PRO 67 13.887 -4.292 10.925 537 HG3 PRO 67 3HG PRO 67 14.585 -4.757 9.364 538 HD2 PRO 67 2HD PRO 67 12.147 -5.670 10.429 539 HD3 PRO 67 3HD PRO 67 13.020 -6.379 9.058 540 H GLY 68 H GLY 68 14.608 -8.241 14.021 541 HA2 GLY 68 2HA GLY 68 14.366 -7.662 16.257 542 HA3 GLY 68 3HA GLY 68 14.220 -5.979 15.781 543 H ALA 69 H ALA 69 12.090 -5.439 14.649 544 HA ALA 69 HA ALA 69 9.825 -5.292 14.584 545 HB1 ALA 69 3HB ALA 69 9.895 -7.617 13.836 546 HB2 ALA 69 1HB ALA 69 8.469 -7.301 14.824 547 HB3 ALA 69 2HB ALA 69 9.847 -8.163 15.511 548 HA PRO 70 HA PRO 70 8.539 -4.170 18.715 549 HB2 PRO 70 2HB PRO 70 5.860 -3.927 18.406 550 HB3 PRO 70 3HB PRO 70 7.002 -2.780 17.696 551 HG2 PRO 70 2HG PRO 70 5.614 -5.106 16.403 552 HG3 PRO 70 3HG PRO 70 5.827 -3.454 15.793 553 HD2 PRO 70 2HD PRO 70 7.406 -5.512 14.998 554 HD3 PRO 70 3HD PRO 70 8.008 -3.846 15.122 555 H LYS 71 H LYS 71 7.412 -4.937 20.602 556 HA LYS 71 HA LYS 71 6.927 -7.836 20.520 557 HB2 LYS 71 2HB LYS 71 8.610 -6.902 22.113 558 HB3 LYS 71 3HB LYS 71 7.312 -6.032 22.920 559 HG2 LYS 71 2HG LYS 71 6.239 -8.169 23.489 560 HG3 LYS 71 3HG LYS 71 7.553 -9.035 22.692 561 HD2 LYS 71 2HD LYS 71 9.142 -7.943 24.285 562 HD3 LYS 71 3HD LYS 71 7.750 -7.264 25.131 563 HE2 LYS 71 2HE LYS 71 6.921 -9.525 25.588 564 HE3 LYS 71 3HE LYS 71 8.308 -10.209 24.737 565 HZ1 LYS 71 3HZ LYS 71 9.752 -9.095 26.380 566 HZ2 LYS 71 1HZ LYS 71 8.723 -10.240 27.083 567 HZ3 LYS 71 2HZ LYS 71 8.375 -8.594 27.226 568 H ALA 72 H ALA 72 4.830 -8.332 20.167 569 HA ALA 72 HA ALA 72 2.809 -7.264 21.976 570 HB1 ALA 72 3HB ALA 72 2.495 -6.999 18.983 571 HB2 ALA 72 1HB ALA 72 2.773 -5.675 20.113 572 HB3 ALA 72 2HB ALA 72 1.277 -6.603 20.195 573 HA PRO 73 HA PRO 73 1.963 -11.709 21.329 574 HB2 PRO 73 2HB PRO 73 0.648 -12.064 23.679 575 HB3 PRO 73 3HB PRO 73 2.412 -12.047 23.570 576 HG2 PRO 73 2HG PRO 73 0.542 -9.844 24.383 577 HG3 PRO 73 3HG PRO 73 2.070 -10.348 25.135 578 HD2 PRO 73 2HD PRO 73 1.897 -8.209 23.478 579 HD3 PRO 73 3HD PRO 73 3.352 -9.219 23.578 580 H ALA 74 H ALA 74 0.096 -12.781 20.673 581 HA ALA 74 HA ALA 74 -2.258 -11.106 20.210 582 HB1 ALA 74 3HB ALA 74 -1.640 -13.881 19.181 583 HB2 ALA 74 1HB ALA 74 -1.310 -12.375 18.329 584 HB3 ALA 74 2HB ALA 74 -2.975 -12.848 18.669 585 H ALA 75 H ALA 75 -4.443 -12.131 20.470 586 HA ALA 75 HA ALA 75 -4.737 -13.140 23.157 587 HB1 ALA 75 3HB ALA 75 -7.141 -12.986 22.737 588 HB2 ALA 75 1HB ALA 75 -6.832 -12.684 21.027 589 HB3 ALA 75 2HB ALA 75 -6.317 -11.509 22.237 Start of MODEL 16 1 H1 MET 1 1H MET 1 -38.922 -19.837 -38.027 2 H2 MET 1 2H MET 1 -37.427 -20.605 -38.189 3 H3 MET 1 3H MET 1 -37.871 -19.389 -39.277 4 HA MET 1 HA MET 1 -36.266 -18.560 -37.683 5 HB2 MET 1 2HB MET 1 -39.066 -17.459 -37.340 6 HB3 MET 1 3HB MET 1 -37.612 -16.633 -36.797 7 HG2 MET 1 2HG MET 1 -36.810 -16.492 -39.083 8 HG3 MET 1 3HG MET 1 -38.230 -17.372 -39.650 9 HE1 MET 1 3HE MET 1 -37.242 -14.493 -40.772 10 HE2 MET 1 1HE MET 1 -38.807 -13.700 -40.954 11 HE3 MET 1 2HE MET 1 -38.616 -15.393 -41.416 12 H GLY 2 H GLY 2 -35.958 -17.753 -35.416 13 HA2 GLY 2 2HA GLY 2 -36.950 -18.053 -33.088 14 HA3 GLY 2 3HA GLY 2 -37.009 -19.758 -33.505 15 H HIS 3 H HIS 3 -34.740 -17.031 -33.187 16 HA HIS 3 HA HIS 3 -32.800 -18.896 -31.983 17 HB2 HIS 3 2HB HIS 3 -32.141 -16.783 -34.053 18 HB3 HIS 3 3HB HIS 3 -30.948 -17.697 -33.136 19 HD1 HIS 3 HD1 HIS 3 -30.993 -20.370 -33.574 20 HD2 HIS 3 HD2 HIS 3 -32.982 -17.995 -36.349 21 HE1 HIS 3 HE1 HIS 3 -31.295 -21.816 -35.607 22 HE2 HIS 3 HE2 HIS 3 -32.670 -20.421 -37.190 23 H HIS 4 H HIS 4 -31.412 -18.007 -30.424 24 HA HIS 4 HA HIS 4 -32.198 -15.341 -29.416 25 HB2 HIS 4 2HB HIS 4 -31.074 -17.728 -27.927 26 HB3 HIS 4 3HB HIS 4 -31.336 -16.142 -27.206 27 HD1 HIS 4 HD1 HIS 4 -33.607 -15.699 -26.275 28 HD2 HIS 4 HD2 HIS 4 -33.561 -19.003 -28.792 29 HE1 HIS 4 HE1 HIS 4 -35.881 -16.734 -26.063 30 HE2 HIS 4 HE2 HIS 4 -35.893 -18.602 -27.744 31 H HIS 5 H HIS 5 -30.587 -13.870 -28.760 32 HA HIS 5 HA HIS 5 -28.130 -14.061 -30.220 33 HB2 HIS 5 2HB HIS 5 -29.130 -12.008 -28.245 34 HB3 HIS 5 3HB HIS 5 -27.612 -11.860 -29.129 35 HD1 HIS 5 HD1 HIS 5 -30.781 -10.490 -29.313 36 HD2 HIS 5 HD2 HIS 5 -28.412 -12.419 -32.129 37 HE1 HIS 5 HE1 HIS 5 -31.657 -9.753 -31.543 38 HE2 HIS 5 HE2 HIS 5 -30.139 -10.839 -33.230 39 H HIS 6 H HIS 6 -26.653 -15.453 -29.577 40 HA HIS 6 HA HIS 6 -26.189 -16.229 -26.886 41 HB2 HIS 6 2HB HIS 6 -24.537 -16.659 -29.389 42 HB3 HIS 6 3HB HIS 6 -24.198 -17.415 -27.834 43 HD1 HIS 6 HD1 HIS 6 -27.111 -17.234 -30.296 44 HD2 HIS 6 HD2 HIS 6 -25.372 -19.836 -27.563 45 HE1 HIS 6 HE1 HIS 6 -28.395 -19.376 -30.497 46 HE2 HIS 6 HE2 HIS 6 -27.302 -20.954 -28.871 47 H HIS 7 H HIS 7 -25.877 -14.137 -25.891 48 HA HIS 7 HA HIS 7 -23.766 -12.387 -26.410 49 HB2 HIS 7 2HB HIS 7 -24.027 -11.742 -23.969 50 HB3 HIS 7 3HB HIS 7 -25.491 -11.669 -24.942 51 HD1 HIS 7 HD1 HIS 7 -27.438 -13.113 -24.235 52 HD2 HIS 7 HD2 HIS 7 -23.962 -13.937 -22.106 53 HE1 HIS 7 HE1 HIS 7 -28.131 -14.667 -22.391 54 HE2 HIS 7 HE2 HIS 7 -26.026 -15.122 -21.095 55 H HIS 8 H HIS 8 -21.632 -12.344 -25.911 56 HA HIS 8 HA HIS 8 -20.468 -14.201 -24.018 57 HB2 HIS 8 2HB HIS 8 -20.582 -15.642 -25.961 58 HB3 HIS 8 3HB HIS 8 -19.867 -14.399 -26.984 59 HD1 HIS 8 HD1 HIS 8 -18.890 -16.487 -23.949 60 HD2 HIS 8 HD2 HIS 8 -17.174 -14.626 -27.243 61 HE1 HIS 8 HE1 HIS 8 -16.467 -17.131 -23.897 62 HE2 HIS 8 HE2 HIS 8 -15.496 -16.146 -25.997 63 H SER 9 H SER 9 -18.690 -13.361 -23.085 64 HA SER 9 HA SER 9 -17.292 -11.129 -24.441 65 HB2 SER 9 2HB SER 9 -18.694 -10.262 -22.592 66 HB3 SER 9 3HB SER 9 -17.876 -11.346 -21.468 67 HG SER 9 HG SER 9 -16.476 -9.799 -21.249 68 H HIS 10 H HIS 10 -15.079 -11.222 -24.452 69 HA HIS 10 HA HIS 10 -13.811 -13.659 -23.706 70 HB2 HIS 10 2HB HIS 10 -11.730 -12.635 -24.463 71 HB3 HIS 10 3HB HIS 10 -13.023 -12.309 -25.606 72 HD1 HIS 10 HD1 HIS 10 -10.365 -10.673 -23.815 73 HD2 HIS 10 HD2 HIS 10 -14.108 -9.553 -25.236 74 HE1 HIS 10 HE1 HIS 10 -10.336 -8.166 -23.896 75 HE2 HIS 10 HE2 HIS 10 -12.548 -7.523 -24.895 76 H MET 11 H MET 11 -13.935 -14.088 -21.552 77 HA MET 11 HA MET 11 -12.770 -12.115 -19.688 78 HB2 MET 11 2HB MET 11 -15.182 -12.536 -19.354 79 HB3 MET 11 3HB MET 11 -14.845 -14.242 -19.097 80 HG2 MET 11 2HG MET 11 -13.552 -13.708 -17.108 81 HG3 MET 11 3HG MET 11 -13.820 -11.985 -17.380 82 HE1 MET 11 3HE MET 11 -14.760 -11.761 -14.842 83 HE2 MET 11 1HE MET 11 -14.435 -13.481 -14.639 84 HE3 MET 11 2HE MET 11 -16.013 -12.826 -14.202 85 H SER 12 H SER 12 -10.731 -12.696 -19.277 86 HA SER 12 HA SER 12 -10.204 -15.489 -18.456 87 HB2 SER 12 2HB SER 12 -8.289 -13.398 -19.544 88 HB3 SER 12 3HB SER 12 -7.785 -14.959 -18.902 89 HG SER 12 HG SER 12 -8.025 -15.529 -20.925 90 H THR 13 H THR 13 -8.460 -15.667 -16.741 91 HA THR 13 HA THR 13 -8.918 -13.645 -14.651 92 HB THR 13 HB THR 13 -7.978 -15.309 -13.075 93 HG1 THR 13 HG1 THR 13 -8.065 -17.279 -15.093 94 HG21 THR 13 3HG2 THR 13 -10.400 -15.286 -13.494 95 HG22 THR 13 1HG2 THR 13 -9.824 -16.919 -13.161 96 HG23 THR 13 2HG2 THR 13 -10.183 -16.431 -14.818 97 HA PRO 14 HA PRO 14 -4.814 -12.009 -15.306 98 HB2 PRO 14 2HB PRO 14 -4.488 -10.758 -12.891 99 HB3 PRO 14 3HB PRO 14 -5.476 -10.107 -14.206 100 HG2 PRO 14 2HG PRO 14 -6.329 -11.648 -11.781 101 HG3 PRO 14 3HG PRO 14 -7.065 -10.205 -12.504 102 HD2 PRO 14 2HD PRO 14 -8.076 -12.673 -12.911 103 HD3 PRO 14 3HD PRO 14 -8.117 -11.423 -14.173 104 H LEU 15 H LEU 15 -2.999 -13.176 -15.251 105 HA LEU 15 HA LEU 15 -2.481 -15.184 -13.303 106 HB2 LEU 15 2HB LEU 15 -0.207 -15.285 -14.461 107 HB3 LEU 15 3HB LEU 15 -1.627 -15.654 -15.416 108 HG LEU 15 HG LEU 15 -1.520 -13.274 -16.303 109 HD11 LEU 15 1HD1 LEU 15 -0.117 -12.270 -14.600 110 HD12 LEU 15 2HD1 LEU 15 0.647 -12.132 -16.182 111 HD13 LEU 15 3HD1 LEU 15 1.218 -13.343 -15.032 112 HD21 LEU 15 3HD2 LEU 15 0.240 -13.802 -17.926 113 HD22 LEU 15 1HD2 LEU 15 -0.811 -15.185 -17.628 114 HD23 LEU 15 2HD2 LEU 15 0.793 -15.126 -16.898 115 H THR 16 H THR 16 -0.546 -15.328 -11.942 116 HA THR 16 HA THR 16 -0.279 -12.904 -10.366 117 HB THR 16 HB THR 16 0.935 -15.641 -9.880 118 HG1 THR 16 HG1 THR 16 -1.126 -14.887 -8.247 119 HG21 THR 16 3HG2 THR 16 1.172 -14.889 -7.557 120 HG22 THR 16 1HG2 THR 16 0.543 -13.300 -7.999 121 HG23 THR 16 2HG2 THR 16 2.085 -13.851 -8.651 122 H GLY 17 H GLY 17 2.020 -15.174 -11.911 123 HA2 GLY 17 2HA GLY 17 4.114 -14.752 -12.825 124 HA3 GLY 17 3HA GLY 17 3.902 -13.045 -12.461 125 H LYS 18 H LYS 18 6.020 -12.851 -11.617 126 HA LYS 18 HA LYS 18 6.511 -14.256 -9.064 127 HB2 LYS 18 2HB LYS 18 8.476 -13.009 -10.998 128 HB3 LYS 18 3HB LYS 18 8.913 -13.703 -9.443 129 HG2 LYS 18 2HG LYS 18 8.120 -15.894 -10.190 130 HG3 LYS 18 3HG LYS 18 7.668 -15.200 -11.749 131 HD2 LYS 18 2HD LYS 18 10.473 -15.228 -10.618 132 HD3 LYS 18 3HD LYS 18 9.851 -16.389 -11.789 133 HE2 LYS 18 2HE LYS 18 10.062 -13.404 -12.217 134 HE3 LYS 18 3HE LYS 18 11.166 -14.616 -12.867 135 HZ1 LYS 18 3HZ LYS 18 9.584 -14.007 -14.541 136 HZ2 LYS 18 1HZ LYS 18 8.281 -14.331 -13.513 137 HZ3 LYS 18 2HZ LYS 18 9.263 -15.594 -14.057 138 HA PRO 19 HA PRO 19 6.181 -9.973 -7.491 139 HB2 PRO 19 2HB PRO 19 5.041 -10.989 -5.079 140 HB3 PRO 19 3HB PRO 19 4.208 -10.151 -6.388 141 HG2 PRO 19 2HG PRO 19 3.824 -12.822 -5.694 142 HG3 PRO 19 3HG PRO 19 3.370 -12.091 -7.242 143 HD2 PRO 19 2HD PRO 19 5.779 -13.728 -6.552 144 HD3 PRO 19 3HD PRO 19 4.817 -13.706 -8.047 145 H GLY 20 H GLY 20 6.500 -9.577 -4.758 146 HA2 GLY 20 2HA GLY 20 8.288 -11.146 -3.355 147 HA3 GLY 20 3HA GLY 20 9.282 -10.112 -4.371 148 H ALA 21 H ALA 21 9.620 -8.029 -3.782 149 HA ALA 21 HA ALA 21 8.653 -7.277 -1.113 150 HB1 ALA 21 3HB ALA 21 11.073 -7.341 -1.439 151 HB2 ALA 21 1HB ALA 21 10.525 -5.702 -1.082 152 HB3 ALA 21 2HB ALA 21 10.939 -6.153 -2.737 153 H LEU 22 H LEU 22 8.683 -4.702 -0.893 154 HA LEU 22 HA LEU 22 7.108 -3.548 -3.103 155 HB2 LEU 22 2HB LEU 22 6.581 -3.225 -0.137 156 HB3 LEU 22 3HB LEU 22 5.740 -2.353 -1.406 157 HG LEU 22 HG LEU 22 5.656 -5.347 -0.973 158 HD11 LEU 22 1HD1 LEU 22 3.323 -4.969 -0.338 159 HD12 LEU 22 2HD1 LEU 22 3.561 -3.228 -0.497 160 HD13 LEU 22 3HD1 LEU 22 4.433 -4.129 0.742 161 HD21 LEU 22 3HD2 LEU 22 5.468 -4.804 -3.337 162 HD22 LEU 22 1HD2 LEU 22 4.210 -3.618 -2.983 163 HD23 LEU 22 2HD2 LEU 22 3.910 -5.334 -2.704 164 HA PRO 23 HA PRO 23 10.178 -0.345 -2.996 165 HB2 PRO 23 2HB PRO 23 8.754 1.675 -4.182 166 HB3 PRO 23 3HB PRO 23 9.459 0.321 -5.074 167 HG2 PRO 23 2HG PRO 23 6.641 0.698 -4.119 168 HG3 PRO 23 3HG PRO 23 7.222 0.103 -5.685 169 HD2 PRO 23 2HD PRO 23 6.345 -1.578 -3.775 170 HD3 PRO 23 3HD PRO 23 7.688 -2.017 -4.853 171 H ALA 24 H ALA 24 10.832 1.202 -1.571 172 HA ALA 24 HA ALA 24 9.147 1.933 0.621 173 HB1 ALA 24 3HB ALA 24 11.079 3.179 1.440 174 HB2 ALA 24 1HB ALA 24 11.877 2.994 -0.122 175 HB3 ALA 24 2HB ALA 24 11.562 1.577 0.880 176 H ASN 25 H ASN 25 9.207 3.133 -2.449 177 HA ASN 25 HA ASN 25 8.970 5.960 -1.889 178 HB2 ASN 25 2HB ASN 25 8.385 4.461 -4.456 179 HB3 ASN 25 3HB ASN 25 8.639 6.197 -4.287 180 HD21 ASN 25 1HD2 ASN 25 10.723 6.967 -3.943 181 HD22 ASN 25 2HD2 ASN 25 12.116 5.987 -4.220 182 H LEU 26 H LEU 26 6.941 3.877 -0.844 183 HA LEU 26 HA LEU 26 4.475 4.172 -2.129 184 HB2 LEU 26 2HB LEU 26 5.016 3.753 0.814 185 HB3 LEU 26 3HB LEU 26 3.472 3.491 0.022 186 HG LEU 26 HG LEU 26 6.015 1.943 -0.529 187 HD11 LEU 26 1HD1 LEU 26 5.040 1.417 1.655 188 HD12 LEU 26 2HD1 LEU 26 4.866 0.071 0.529 189 HD13 LEU 26 3HD1 LEU 26 3.484 1.106 0.887 190 HD21 LEU 26 3HD2 LEU 26 4.566 0.486 -1.883 191 HD22 LEU 26 1HD2 LEU 26 4.649 2.123 -2.530 192 HD23 LEU 26 2HD2 LEU 26 3.222 1.602 -1.633 193 H ASP 27 H ASP 27 5.939 6.162 0.433 194 HA ASP 27 HA ASP 27 3.804 7.967 0.769 195 HB2 ASP 27 2HB ASP 27 6.782 8.414 1.109 196 HB3 ASP 27 3HB ASP 27 5.527 9.500 1.701 197 H ASP 28 H ASP 28 6.387 7.823 -1.602 198 HA ASP 28 HA ASP 28 6.007 10.453 -2.653 199 HB2 ASP 28 2HB ASP 28 8.145 9.242 -2.848 200 HB3 ASP 28 3HB ASP 28 7.375 8.046 -3.886 201 H MET 29 H MET 29 4.900 7.216 -3.665 202 HA MET 29 HA MET 29 3.597 8.116 -6.031 203 HB2 MET 29 2HB MET 29 3.117 5.598 -4.423 204 HB3 MET 29 3HB MET 29 2.486 5.905 -6.034 205 HG2 MET 29 2HG MET 29 4.874 6.141 -6.802 206 HG3 MET 29 3HG MET 29 5.354 5.529 -5.219 207 HE1 MET 29 3HE MET 29 2.773 3.486 -4.811 208 HE2 MET 29 1HE MET 29 4.419 3.128 -4.286 209 HE3 MET 29 2HE MET 29 3.547 1.979 -5.301 210 H LYS 30 H LYS 30 1.232 7.958 -6.420 211 HA LYS 30 HA LYS 30 -0.086 9.613 -4.414 212 HB2 LYS 30 2HB LYS 30 -0.905 8.899 -7.235 213 HB3 LYS 30 3HB LYS 30 -1.722 10.064 -6.200 214 HG2 LYS 30 2HG LYS 30 0.327 11.427 -6.132 215 HG3 LYS 30 3HG LYS 30 1.115 10.273 -7.207 216 HD2 LYS 30 2HD LYS 30 0.319 12.207 -8.457 217 HD3 LYS 30 3HD LYS 30 -0.548 10.748 -8.945 218 HE2 LYS 30 2HE LYS 30 -2.464 11.395 -7.604 219 HE3 LYS 30 3HE LYS 30 -1.587 12.788 -6.966 220 HZ1 LYS 30 3HZ LYS 30 -1.521 13.733 -9.171 221 HZ2 LYS 30 1HZ LYS 30 -3.121 13.394 -8.748 222 HZ3 LYS 30 2HZ LYS 30 -2.296 12.384 -9.823 223 H VAL 31 H VAL 31 -2.557 9.338 -4.292 224 HA VAL 31 HA VAL 31 -3.090 7.050 -2.781 225 HB VAL 31 HB VAL 31 -5.062 8.917 -4.124 226 HG11 VAL 31 1HG1 VAL 31 -6.650 8.170 -2.386 227 HG12 VAL 31 2HG1 VAL 31 -5.480 6.962 -1.857 228 HG13 VAL 31 3HG1 VAL 31 -6.178 6.866 -3.473 229 HG21 VAL 31 3HG2 VAL 31 -5.145 10.042 -1.935 230 HG22 VAL 31 1HG2 VAL 31 -3.530 10.097 -2.646 231 HG23 VAL 31 2HG2 VAL 31 -3.883 8.963 -1.342 232 H ALA 32 H ALA 32 -4.114 7.781 -6.117 233 HA ALA 32 HA ALA 32 -5.653 5.491 -6.568 234 HB1 ALA 32 3HB ALA 32 -4.046 7.042 -8.597 235 HB2 ALA 32 1HB ALA 32 -5.657 7.469 -8.024 236 HB3 ALA 32 2HB ALA 32 -5.412 5.978 -8.934 237 H GLU 33 H GLU 33 -2.174 6.000 -6.951 238 HA GLU 33 HA GLU 33 -1.625 3.496 -8.191 239 HB2 GLU 33 2HB GLU 33 0.261 5.266 -6.606 240 HB3 GLU 33 3HB GLU 33 0.721 4.002 -7.744 241 HG2 GLU 33 2HG GLU 33 -0.368 5.282 -9.556 242 HG3 GLU 33 3HG GLU 33 -0.732 6.563 -8.402 243 H LEU 34 H LEU 34 -1.506 4.623 -4.826 244 HA LEU 34 HA LEU 34 -0.491 2.251 -3.682 245 HB2 LEU 34 2HB LEU 34 -2.291 4.356 -2.470 246 HB3 LEU 34 3HB LEU 34 -1.454 3.112 -1.560 247 HG LEU 34 HG LEU 34 -0.132 5.320 -3.155 248 HD11 LEU 34 1HD1 LEU 34 0.554 6.186 -0.974 249 HD12 LEU 34 2HD1 LEU 34 -0.369 4.916 -0.172 250 HD13 LEU 34 3HD1 LEU 34 -1.201 6.145 -1.124 251 HD21 LEU 34 3HD2 LEU 34 1.215 3.289 -3.167 252 HD22 LEU 34 1HD2 LEU 34 1.084 3.170 -1.411 253 HD23 LEU 34 2HD2 LEU 34 1.955 4.519 -2.143 254 H LYS 35 H LYS 35 -3.865 3.358 -4.094 255 HA LYS 35 HA LYS 35 -5.106 1.094 -2.984 256 HB2 LYS 35 2HB LYS 35 -6.080 3.021 -5.099 257 HB3 LYS 35 3HB LYS 35 -7.095 1.784 -4.371 258 HG2 LYS 35 2HG LYS 35 -6.667 2.817 -2.149 259 HG3 LYS 35 3HG LYS 35 -5.791 4.110 -2.969 260 HD2 LYS 35 2HD LYS 35 -7.798 4.738 -4.194 261 HD3 LYS 35 3HD LYS 35 -8.683 3.391 -3.476 262 HE2 LYS 35 2HE LYS 35 -8.364 4.386 -1.247 263 HE3 LYS 35 3HE LYS 35 -7.518 5.745 -1.985 264 HZ1 LYS 35 3HZ LYS 35 -10.360 4.993 -2.374 265 HZ2 LYS 35 1HZ LYS 35 -9.571 6.201 -3.258 266 HZ3 LYS 35 2HZ LYS 35 -9.765 6.367 -1.589 267 H GLN 36 H GLN 36 -3.926 1.703 -6.260 268 HA GLN 36 HA GLN 36 -5.023 -0.550 -7.529 269 HB2 GLN 36 2HB GLN 36 -3.989 1.341 -8.728 270 HB3 GLN 36 3HB GLN 36 -2.413 0.882 -8.109 271 HG2 GLN 36 2HG GLN 36 -3.954 -1.118 -9.693 272 HG3 GLN 36 3HG GLN 36 -3.197 0.226 -10.540 273 HE21 GLN 36 1HE2 GLN 36 -2.593 -2.612 -10.699 274 HE22 GLN 36 2HE2 GLN 36 -0.931 -2.778 -10.258 275 H GLU 37 H GLU 37 -1.908 -0.152 -5.852 276 HA GLU 37 HA GLU 37 -1.018 -2.816 -6.108 277 HB2 GLU 37 2HB GLU 37 -0.392 -0.562 -4.222 278 HB3 GLU 37 3HB GLU 37 0.284 -2.157 -3.930 279 HG2 GLU 37 2HG GLU 37 0.623 -0.669 -6.527 280 HG3 GLU 37 3HG GLU 37 1.760 -0.556 -5.184 281 H LEU 38 H LEU 38 -3.002 -1.249 -3.611 282 HA LEU 38 HA LEU 38 -3.110 -3.391 -1.785 283 HB2 LEU 38 2HB LEU 38 -5.067 -1.162 -2.343 284 HB3 LEU 38 3HB LEU 38 -5.257 -2.291 -1.015 285 HG LEU 38 HG LEU 38 -2.863 -0.469 -1.338 286 HD11 LEU 38 1HD1 LEU 38 -4.919 0.827 -1.033 287 HD12 LEU 38 2HD1 LEU 38 -3.869 0.921 0.380 288 HD13 LEU 38 3HD1 LEU 38 -5.297 -0.114 0.411 289 HD21 LEU 38 3HD2 LEU 38 -2.462 -1.020 1.020 290 HD22 LEU 38 1HD2 LEU 38 -2.422 -2.460 0.004 291 HD23 LEU 38 2HD2 LEU 38 -3.839 -2.126 1.000 292 H LYS 39 H LYS 39 -5.506 -2.457 -4.281 293 HA LYS 39 HA LYS 39 -7.378 -4.445 -3.706 294 HB2 LYS 39 2HB LYS 39 -8.356 -3.964 -5.899 295 HB3 LYS 39 3HB LYS 39 -7.906 -2.484 -5.061 296 HG2 LYS 39 2HG LYS 39 -5.881 -2.321 -6.428 297 HG3 LYS 39 3HG LYS 39 -6.334 -3.802 -7.275 298 HD2 LYS 39 2HD LYS 39 -6.932 -1.854 -8.604 299 HD3 LYS 39 3HD LYS 39 -8.388 -2.696 -8.075 300 HE2 LYS 39 2HE LYS 39 -8.680 -1.048 -6.279 301 HE3 LYS 39 3HE LYS 39 -7.219 -0.215 -6.804 302 HZ1 LYS 39 3HZ LYS 39 -9.653 -0.586 -8.466 303 HZ2 LYS 39 1HZ LYS 39 -8.271 0.285 -8.901 304 HZ3 LYS 39 2HZ LYS 39 -9.257 0.833 -7.640 305 H LEU 40 H LEU 40 -4.551 -4.612 -5.829 306 HA LEU 40 HA LEU 40 -5.157 -7.070 -7.081 307 HB2 LEU 40 2HB LEU 40 -2.487 -5.820 -6.425 308 HB3 LEU 40 3HB LEU 40 -2.683 -7.232 -7.445 309 HG LEU 40 HG LEU 40 -3.779 -4.475 -8.035 310 HD11 LEU 40 1HD1 LEU 40 -2.112 -4.419 -9.812 311 HD12 LEU 40 2HD1 LEU 40 -1.500 -5.994 -9.308 312 HD13 LEU 40 3HD1 LEU 40 -1.342 -4.601 -8.235 313 HD21 LEU 40 3HD2 LEU 40 -5.216 -6.246 -8.931 314 HD22 LEU 40 1HD2 LEU 40 -3.818 -6.991 -9.709 315 HD23 LEU 40 2HD2 LEU 40 -4.369 -5.396 -10.223 316 H ARG 41 H ARG 41 -3.756 -6.335 -3.947 317 HA ARG 41 HA ARG 41 -3.298 -9.204 -3.444 318 HB2 ARG 41 2HB ARG 41 -2.138 -6.735 -2.135 319 HB3 ARG 41 3HB ARG 41 -1.886 -8.366 -1.518 320 HG2 ARG 41 2HG ARG 41 -0.807 -9.015 -3.603 321 HG3 ARG 41 3HG ARG 41 -1.110 -7.414 -4.276 322 HD2 ARG 41 2HD ARG 41 0.552 -7.914 -1.809 323 HD3 ARG 41 3HD ARG 41 1.223 -7.794 -3.435 324 HE ARG 41 HE ARG 41 -0.002 -5.622 -1.894 325 HH11 ARG 41 1HH1 ARG 41 1.631 -6.663 -4.748 326 HH12 ARG 41 2HH1 ARG 41 2.152 -5.064 -5.157 327 HH21 ARG 41 1HH2 ARG 41 0.707 -3.582 -2.445 328 HH22 ARG 41 2HH2 ARG 41 1.661 -3.362 -3.867 329 H SER 42 H SER 42 -5.885 -7.600 -3.254 330 HA SER 42 HA SER 42 -7.818 -7.864 -2.073 331 HB2 SER 42 2HB SER 42 -7.074 -10.243 -1.951 332 HB3 SER 42 3HB SER 42 -6.270 -9.887 -0.424 333 HG SER 42 HG SER 42 -8.256 -9.479 0.509 334 H LEU 43 H LEU 43 -5.660 -5.975 -1.155 335 HA LEU 43 HA LEU 43 -6.119 -5.806 1.726 336 HB2 LEU 43 2HB LEU 43 -4.338 -4.274 -0.173 337 HB3 LEU 43 3HB LEU 43 -4.478 -3.891 1.533 338 HG LEU 43 HG LEU 43 -3.597 -6.608 0.547 339 HD11 LEU 43 1HD1 LEU 43 -1.296 -5.886 1.002 340 HD12 LEU 43 2HD1 LEU 43 -1.868 -4.247 1.317 341 HD13 LEU 43 3HD1 LEU 43 -2.027 -4.942 -0.296 342 HD21 LEU 43 3HD2 LEU 43 -4.441 -6.543 2.827 343 HD22 LEU 43 1HD2 LEU 43 -3.366 -5.195 3.207 344 HD23 LEU 43 2HD2 LEU 43 -2.694 -6.784 2.830 345 HA PRO 44 HA PRO 44 -9.535 -2.915 1.467 346 HB2 PRO 44 2HB PRO 44 -8.248 -1.815 3.934 347 HB3 PRO 44 3HB PRO 44 -9.935 -2.260 3.646 348 HG2 PRO 44 2HG PRO 44 -8.355 -3.856 5.065 349 HG3 PRO 44 3HG PRO 44 -9.513 -4.535 3.906 350 HD2 PRO 44 2HD PRO 44 -6.547 -4.222 3.658 351 HD3 PRO 44 3HD PRO 44 -7.595 -5.530 3.071 352 H VAL 45 H VAL 45 -9.444 -1.352 -0.024 353 HA VAL 45 HA VAL 45 -7.223 0.509 -0.193 354 HB VAL 45 HB VAL 45 -8.303 1.321 -2.236 355 HG11 VAL 45 1HG1 VAL 45 -6.867 -0.644 -2.388 356 HG12 VAL 45 2HG1 VAL 45 -8.188 -0.745 -3.552 357 HG13 VAL 45 3HG1 VAL 45 -8.250 -1.693 -2.066 358 HG21 VAL 45 3HG2 VAL 45 -10.542 -0.592 -1.541 359 HG22 VAL 45 1HG2 VAL 45 -10.388 0.298 -3.057 360 HG23 VAL 45 2HG2 VAL 45 -10.640 1.169 -1.544 361 H SER 46 H SER 46 -10.132 0.506 1.493 362 HA SER 46 HA SER 46 -10.910 3.252 1.033 363 HB2 SER 46 2HB SER 46 -12.592 1.500 1.439 364 HB3 SER 46 3HB SER 46 -11.947 1.253 3.060 365 HG SER 46 HG SER 46 -12.726 3.193 3.687 366 H GLY 47 H GLY 47 -8.232 2.924 2.191 367 HA2 GLY 47 2HA GLY 47 -8.610 4.132 4.868 368 HA3 GLY 47 3HA GLY 47 -7.150 3.321 4.329 369 H THR 48 H THR 48 -6.716 5.661 5.466 370 HA THR 48 HA THR 48 -6.699 7.877 3.621 371 HB THR 48 HB THR 48 -5.318 9.038 5.277 372 HG1 THR 48 HG1 THR 48 -5.370 6.900 7.074 373 HG21 THR 48 3HG2 THR 48 -7.542 7.449 6.579 374 HG22 THR 48 1HG2 THR 48 -7.729 8.968 5.700 375 HG23 THR 48 2HG2 THR 48 -6.834 8.930 7.218 376 H LYS 49 H LYS 49 -4.678 8.967 2.910 377 HA LYS 49 HA LYS 49 -3.033 7.527 1.294 378 HB2 LYS 49 2HB LYS 49 -3.153 9.998 1.356 379 HB3 LYS 49 3HB LYS 49 -2.224 10.000 2.844 380 HG2 LYS 49 2HG LYS 49 -0.780 10.577 1.021 381 HG3 LYS 49 3HG LYS 49 -0.318 8.983 1.618 382 HD2 LYS 49 2HD LYS 49 -1.350 7.899 -0.238 383 HD3 LYS 49 3HD LYS 49 -2.156 9.386 -0.741 384 HE2 LYS 49 2HE LYS 49 -0.272 8.914 -2.200 385 HE3 LYS 49 3HE LYS 49 0.032 10.377 -1.273 386 HZ1 LYS 49 3HZ LYS 49 1.479 9.153 0.183 387 HZ2 LYS 49 1HZ LYS 49 1.969 8.907 -1.418 388 HZ3 LYS 49 2HZ LYS 49 1.121 7.699 -0.599 389 H THR 50 H THR 50 -2.375 8.288 4.701 390 HA THR 50 HA THR 50 0.161 7.025 4.837 391 HB THR 50 HB THR 50 -1.769 7.536 7.116 392 HG1 THR 50 HG1 THR 50 -1.253 9.576 6.911 393 HG21 THR 50 3HG2 THR 50 1.239 7.212 7.086 394 HG22 THR 50 1HG2 THR 50 0.081 6.045 7.726 395 HG23 THR 50 2HG2 THR 50 0.265 7.620 8.498 396 H GLU 51 H GLU 51 -3.120 5.911 5.707 397 HA GLU 51 HA GLU 51 -2.395 3.404 6.753 398 HB2 GLU 51 2HB GLU 51 -4.944 4.311 5.412 399 HB3 GLU 51 3HB GLU 51 -4.763 2.737 6.176 400 HG2 GLU 51 2HG GLU 51 -4.335 3.803 8.321 401 HG3 GLU 51 3HG GLU 51 -4.460 5.394 7.569 402 H LEU 52 H LEU 52 -3.216 4.343 3.423 403 HA LEU 52 HA LEU 52 -3.218 1.835 2.211 404 HB2 LEU 52 2HB LEU 52 -2.068 4.348 0.983 405 HB3 LEU 52 3HB LEU 52 -2.734 2.971 0.129 406 HG LEU 52 HG LEU 52 -4.276 4.973 1.789 407 HD11 LEU 52 1HD1 LEU 52 -4.235 4.423 -1.176 408 HD12 LEU 52 2HD1 LEU 52 -3.587 5.848 -0.360 409 HD13 LEU 52 3HD1 LEU 52 -5.324 5.544 -0.357 410 HD21 LEU 52 3HD2 LEU 52 -6.290 3.790 1.098 411 HD22 LEU 52 1HD2 LEU 52 -5.237 2.731 2.035 412 HD23 LEU 52 2HD2 LEU 52 -5.313 2.571 0.280 413 H ILE 53 H ILE 53 -0.546 3.953 3.041 414 HA ILE 53 HA ILE 53 1.545 2.445 1.835 415 HB ILE 53 HB ILE 53 1.625 4.501 4.057 416 HG12 ILE 53 2HG1 ILE 53 2.230 4.804 1.102 417 HG13 ILE 53 3HG1 ILE 53 0.696 5.245 1.844 418 HG21 ILE 53 1HG2 ILE 53 4.023 4.739 3.477 419 HG22 ILE 53 2HG2 ILE 53 3.876 3.348 2.404 420 HG23 ILE 53 3HG2 ILE 53 3.635 3.151 4.139 421 HD11 ILE 53 3HD1 ILE 53 2.081 7.188 1.515 422 HD12 ILE 53 1HD1 ILE 53 3.383 6.452 2.450 423 HD13 ILE 53 2HD1 ILE 53 1.865 6.881 3.237 424 H GLU 54 H GLU 54 0.654 2.851 5.289 425 HA GLU 54 HA GLU 54 2.498 0.961 6.265 426 HB2 GLU 54 2HB GLU 54 -0.067 1.987 7.495 427 HB3 GLU 54 3HB GLU 54 1.088 0.969 8.347 428 HG2 GLU 54 2HG GLU 54 2.822 2.734 7.903 429 HG3 GLU 54 3HG GLU 54 1.520 3.760 7.301 430 H ARG 55 H ARG 55 -0.787 0.552 5.073 431 HA ARG 55 HA ARG 55 -1.182 -2.096 5.986 432 HB2 ARG 55 2HB ARG 55 -3.041 -0.748 5.241 433 HB3 ARG 55 3HB ARG 55 -2.357 -0.610 3.627 434 HG2 ARG 55 2HG ARG 55 -2.849 -2.851 3.108 435 HG3 ARG 55 3HG ARG 55 -3.121 -3.270 4.800 436 HD2 ARG 55 2HD ARG 55 -4.838 -1.318 3.268 437 HD3 ARG 55 3HD ARG 55 -5.205 -3.038 3.410 438 HE ARG 55 HE ARG 55 -5.179 -2.596 5.902 439 HH11 ARG 55 1HH1 ARG 55 -6.131 -0.191 3.609 440 HH12 ARG 55 2HH1 ARG 55 -7.073 0.680 4.773 441 HH21 ARG 55 1HH2 ARG 55 -6.423 -1.475 7.350 442 HH22 ARG 55 2HH2 ARG 55 -7.242 -0.038 6.842 443 H LEU 56 H LEU 56 0.180 -0.826 2.944 444 HA LEU 56 HA LEU 56 0.746 -3.326 1.755 445 HB2 LEU 56 2HB LEU 56 2.056 -0.619 1.455 446 HB3 LEU 56 3HB LEU 56 2.517 -2.008 0.492 447 HG LEU 56 HG LEU 56 -0.236 -0.758 0.529 448 HD11 LEU 56 1HD1 LEU 56 1.381 0.702 -0.554 449 HD12 LEU 56 2HD1 LEU 56 0.303 -0.019 -1.749 450 HD13 LEU 56 3HD1 LEU 56 1.944 -0.636 -1.558 451 HD21 LEU 56 3HD2 LEU 56 -0.310 -3.157 0.092 452 HD22 LEU 56 1HD2 LEU 56 0.896 -2.974 -1.183 453 HD23 LEU 56 2HD2 LEU 56 -0.698 -2.239 -1.361 454 H ARG 57 H ARG 57 2.750 -1.206 3.790 455 HA ARG 57 HA ARG 57 5.063 -2.808 3.831 456 HB2 ARG 57 2HB ARG 57 4.079 -0.917 5.986 457 HB3 ARG 57 3HB ARG 57 5.729 -1.499 5.795 458 HG2 ARG 57 2HG ARG 57 5.890 -0.343 3.641 459 HG3 ARG 57 3HG ARG 57 4.235 0.242 3.832 460 HD2 ARG 57 2HD ARG 57 5.763 1.997 4.463 461 HD3 ARG 57 3HD ARG 57 4.936 1.414 5.907 462 HE ARG 57 HE ARG 57 7.324 -0.003 5.667 463 HH11 ARG 57 1HH1 ARG 57 6.286 3.233 6.283 464 HH12 ARG 57 2HH1 ARG 57 7.727 3.635 7.153 465 HH21 ARG 57 1HH2 ARG 57 9.160 0.530 6.773 466 HH22 ARG 57 2HH2 ARG 57 9.333 2.124 7.429 467 H ALA 58 H ALA 58 2.263 -2.744 6.015 468 HA ALA 58 HA ALA 58 3.209 -4.637 7.887 469 HB1 ALA 58 3HB ALA 58 0.886 -4.786 8.631 470 HB2 ALA 58 1HB ALA 58 0.356 -3.942 7.175 471 HB3 ALA 58 2HB ALA 58 1.361 -3.110 8.362 472 H TYR 59 H TYR 59 1.276 -5.008 4.921 473 HA TYR 59 HA TYR 59 0.826 -7.792 5.146 474 HB2 TYR 59 2HB TYR 59 -0.428 -6.361 3.575 475 HB3 TYR 59 3HB TYR 59 1.036 -6.110 2.631 476 HD1 TYR 59 HD2 TYR 59 -1.258 -8.798 3.828 477 HD2 TYR 59 HD1 TYR 59 1.556 -7.581 0.868 478 HE1 TYR 59 HE2 TYR 59 -1.782 -10.804 2.508 479 HE2 TYR 59 HE1 TYR 59 1.038 -9.589 -0.453 480 HH TYR 59 HH TYR 59 -1.653 -11.591 0.221 481 H GLN 60 H GLN 60 3.361 -5.960 3.439 482 HA GLN 60 HA GLN 60 4.853 -8.139 2.485 483 HB2 GLN 60 2HB GLN 60 5.201 -5.835 1.713 484 HB3 GLN 60 3HB GLN 60 5.800 -5.378 3.300 485 HG2 GLN 60 2HG GLN 60 7.637 -5.652 1.765 486 HG3 GLN 60 3HG GLN 60 7.708 -6.898 3.010 487 HE21 GLN 60 1HE2 GLN 60 5.513 -6.980 0.268 488 HE22 GLN 60 2HE2 GLN 60 6.261 -8.325 -0.514 489 H ASP 61 H ASP 61 4.993 -6.408 5.559 490 HA ASP 61 HA ASP 61 7.264 -7.600 6.667 491 HB2 ASP 61 2HB ASP 61 6.202 -5.592 7.581 492 HB3 ASP 61 3HB ASP 61 4.779 -6.525 8.025 493 H GLN 62 H GLN 62 3.834 -8.574 6.979 494 HA GLN 62 HA GLN 62 4.405 -10.754 8.726 495 HB2 GLN 62 2HB GLN 62 2.045 -11.386 8.393 496 HB3 GLN 62 3HB GLN 62 2.237 -9.685 8.793 497 HG2 GLN 62 2HG GLN 62 2.012 -9.149 6.378 498 HG3 GLN 62 3HG GLN 62 1.677 -10.852 6.074 499 HE21 GLN 62 1HE2 GLN 62 0.488 -7.916 7.519 500 HE22 GLN 62 2HE2 GLN 62 -1.154 -8.428 7.670 501 H ILE 63 H ILE 63 4.329 -10.500 5.228 502 HA ILE 63 HA ILE 63 4.273 -13.407 4.914 503 HB ILE 63 HB ILE 63 4.305 -13.039 2.517 504 HG12 ILE 63 2HG1 ILE 63 4.549 -10.082 3.158 505 HG13 ILE 63 3HG1 ILE 63 5.824 -11.084 2.472 506 HG21 ILE 63 1HG2 ILE 63 2.360 -11.198 3.917 507 HG22 ILE 63 2HG2 ILE 63 2.160 -12.932 3.657 508 HG23 ILE 63 3HG2 ILE 63 2.182 -11.833 2.279 509 HD11 ILE 63 3HD1 ILE 63 4.453 -11.454 0.481 510 HD12 ILE 63 1HD1 ILE 63 4.758 -9.742 0.765 511 HD13 ILE 63 2HD1 ILE 63 3.189 -10.435 1.168 512 H SER 64 H SER 64 6.626 -10.924 5.219 513 HA SER 64 HA SER 64 8.743 -12.476 3.942 514 HB2 SER 64 2HB SER 64 8.748 -10.030 3.659 515 HB3 SER 64 3HB SER 64 8.889 -9.820 5.403 516 HG SER 64 HG SER 64 10.950 -9.834 4.970 517 HA PRO 65 HA PRO 65 9.781 -14.579 7.766 518 HB2 PRO 65 2HB PRO 65 12.389 -15.082 6.449 519 HB3 PRO 65 3HB PRO 65 11.204 -16.231 7.079 520 HG2 PRO 65 2HG PRO 65 11.543 -15.894 4.445 521 HG3 PRO 65 3HG PRO 65 9.937 -16.193 5.135 522 HD2 PRO 65 2HD PRO 65 11.152 -13.604 4.223 523 HD3 PRO 65 3HD PRO 65 9.502 -14.220 3.982 524 H VAL 66 H VAL 66 9.919 -12.623 9.012 525 HA VAL 66 HA VAL 66 12.666 -11.573 9.327 526 HB VAL 66 HB VAL 66 11.660 -9.476 10.182 527 HG11 VAL 66 1HG1 VAL 66 10.867 -8.624 8.019 528 HG12 VAL 66 2HG1 VAL 66 10.724 -10.277 7.424 529 HG13 VAL 66 3HG1 VAL 66 12.308 -9.626 7.842 530 HG21 VAL 66 3HG2 VAL 66 9.033 -10.733 9.359 531 HG22 VAL 66 1HG2 VAL 66 9.254 -9.047 9.839 532 HG23 VAL 66 2HG2 VAL 66 9.538 -10.341 11.003 533 HA PRO 67 HA PRO 67 12.886 -13.091 13.499 534 HB2 PRO 67 2HB PRO 67 13.982 -10.382 14.157 535 HB3 PRO 67 3HB PRO 67 14.650 -11.982 14.506 536 HG2 PRO 67 2HG PRO 67 15.677 -10.501 12.555 537 HG3 PRO 67 3HG PRO 67 15.481 -12.252 12.350 538 HD2 PRO 67 2HD PRO 67 13.831 -10.015 11.235 539 HD3 PRO 67 3HD PRO 67 14.305 -11.553 10.483 540 H GLY 68 H GLY 68 11.908 -9.651 13.289 541 HA2 GLY 68 2HA GLY 68 10.227 -9.878 15.647 542 HA3 GLY 68 3HA GLY 68 10.474 -8.441 14.671 543 H ALA 69 H ALA 69 9.425 -11.566 13.408 544 HA ALA 69 HA ALA 69 7.247 -10.573 11.972 545 HB1 ALA 69 3HB ALA 69 6.571 -12.912 11.708 546 HB2 ALA 69 1HB ALA 69 7.678 -13.382 13.000 547 HB3 ALA 69 2HB ALA 69 8.312 -12.724 11.491 548 HA PRO 70 HA PRO 70 3.913 -9.946 14.830 549 HB2 PRO 70 2HB PRO 70 1.823 -11.186 13.487 550 HB3 PRO 70 3HB PRO 70 2.399 -9.546 13.173 551 HG2 PRO 70 2HG PRO 70 3.047 -12.089 11.728 552 HG3 PRO 70 3HG PRO 70 2.720 -10.475 11.066 553 HD2 PRO 70 2HD PRO 70 5.222 -11.401 11.252 554 HD3 PRO 70 3HD PRO 70 4.856 -9.693 11.581 555 H LYS 71 H LYS 71 2.749 -10.978 16.466 556 HA LYS 71 HA LYS 71 3.599 -13.604 17.188 557 HB2 LYS 71 2HB LYS 71 3.065 -11.768 18.806 558 HB3 LYS 71 3HB LYS 71 1.364 -11.953 18.399 559 HG2 LYS 71 2HG LYS 71 1.382 -14.232 19.262 560 HG3 LYS 71 3HG LYS 71 3.106 -14.103 19.613 561 HD2 LYS 71 2HD LYS 71 1.808 -13.778 21.643 562 HD3 LYS 71 3HD LYS 71 2.630 -12.280 21.204 563 HE2 LYS 71 2HE LYS 71 0.339 -11.850 21.930 564 HE3 LYS 71 3HE LYS 71 0.557 -11.419 20.236 565 HZ1 LYS 71 3HZ LYS 71 -0.539 -13.417 19.569 566 HZ2 LYS 71 1HZ LYS 71 -1.522 -12.636 20.699 567 HZ3 LYS 71 2HZ LYS 71 -0.612 -13.984 21.158 568 H ALA 72 H ALA 72 0.935 -12.381 15.374 569 HA ALA 72 HA ALA 72 -0.831 -14.604 15.626 570 HB1 ALA 72 3HB ALA 72 -0.606 -12.578 13.395 571 HB2 ALA 72 1HB ALA 72 -1.595 -12.413 14.847 572 HB3 ALA 72 2HB ALA 72 -1.963 -13.671 13.668 573 HA PRO 73 HA PRO 73 1.561 -17.485 13.136 574 HB2 PRO 73 2HB PRO 73 -0.881 -19.134 13.109 575 HB3 PRO 73 3HB PRO 73 0.703 -19.484 13.810 576 HG2 PRO 73 2HG PRO 73 -1.446 -18.967 15.350 577 HG3 PRO 73 3HG PRO 73 0.186 -18.455 15.818 578 HD2 PRO 73 2HD PRO 73 -2.021 -16.834 14.579 579 HD3 PRO 73 3HD PRO 73 -0.923 -16.410 15.912 580 H ALA 74 H ALA 74 1.200 -18.833 11.095 581 HA ALA 74 HA ALA 74 0.389 -17.194 8.957 582 HB1 ALA 74 3HB ALA 74 2.068 -18.960 8.731 583 HB2 ALA 74 1HB ALA 74 0.781 -19.147 7.541 584 HB3 ALA 74 2HB ALA 74 0.820 -20.183 8.966 585 H ALA 75 H ALA 75 -1.456 -17.068 7.743 586 HA ALA 75 HA ALA 75 -3.815 -18.519 8.767 587 HB1 ALA 75 3HB ALA 75 -3.920 -16.071 8.948 588 HB2 ALA 75 1HB ALA 75 -5.166 -16.699 7.869 589 HB3 ALA 75 2HB ALA 75 -3.721 -15.937 7.201 Start of MODEL 17 1 H1 MET 1 1H MET 1 -9.662 1.166 -53.860 2 H2 MET 1 2H MET 1 -8.807 -0.290 -53.911 3 H3 MET 1 3H MET 1 -8.465 0.852 -52.711 4 HA MET 1 HA MET 1 -10.615 0.563 -51.722 5 HB2 MET 1 2HB MET 1 -12.133 -1.204 -52.581 6 HB3 MET 1 3HB MET 1 -11.896 0.113 -53.721 7 HG2 MET 1 2HG MET 1 -11.896 -1.976 -54.901 8 HG3 MET 1 3HG MET 1 -10.274 -1.286 -54.953 9 HE1 MET 1 3HE MET 1 -9.251 -3.634 -55.707 10 HE2 MET 1 1HE MET 1 -10.871 -4.327 -55.694 11 HE3 MET 1 2HE MET 1 -9.557 -5.146 -54.849 12 H GLY 2 H GLY 2 -7.785 -0.838 -52.094 13 HA2 GLY 2 2HA GLY 2 -6.787 -2.126 -50.339 14 HA3 GLY 2 3HA GLY 2 -8.323 -2.936 -50.093 15 H HIS 3 H HIS 3 -6.637 -4.751 -50.147 16 HA HIS 3 HA HIS 3 -6.874 -6.060 -52.731 17 HB2 HIS 3 2HB HIS 3 -4.764 -4.902 -53.039 18 HB3 HIS 3 3HB HIS 3 -4.177 -5.468 -51.481 19 HD1 HIS 3 HD1 HIS 3 -4.963 -6.733 -54.946 20 HD2 HIS 3 HD2 HIS 3 -2.936 -7.928 -51.524 21 HE1 HIS 3 HE1 HIS 3 -3.703 -8.802 -55.601 22 HE2 HIS 3 HE2 HIS 3 -2.620 -9.595 -53.475 23 H HIS 4 H HIS 4 -5.314 -6.292 -49.534 24 HA HIS 4 HA HIS 4 -6.748 -8.791 -49.034 25 HB2 HIS 4 2HB HIS 4 -4.574 -9.471 -50.010 26 HB3 HIS 4 3HB HIS 4 -3.735 -8.560 -48.761 27 HD1 HIS 4 HD1 HIS 4 -5.979 -11.590 -49.150 28 HD2 HIS 4 HD2 HIS 4 -3.321 -9.932 -46.414 29 HE1 HIS 4 HE1 HIS 4 -5.651 -13.341 -47.386 30 HE2 HIS 4 HE2 HIS 4 -4.041 -12.324 -45.741 31 H HIS 5 H HIS 5 -7.740 -8.511 -47.125 32 HA HIS 5 HA HIS 5 -7.016 -6.331 -45.401 33 HB2 HIS 5 2HB HIS 5 -9.118 -8.491 -45.081 34 HB3 HIS 5 3HB HIS 5 -8.935 -7.111 -44.001 35 HD1 HIS 5 HD1 HIS 5 -10.864 -8.154 -46.794 36 HD2 HIS 5 HD2 HIS 5 -9.142 -4.555 -45.630 37 HE1 HIS 5 HE1 HIS 5 -12.081 -6.380 -48.085 38 HE2 HIS 5 HE2 HIS 5 -11.111 -4.206 -47.270 39 H HIS 6 H HIS 6 -5.106 -6.622 -44.350 40 HA HIS 6 HA HIS 6 -4.382 -9.063 -43.026 41 HB2 HIS 6 2HB HIS 6 -2.690 -7.489 -43.900 42 HB3 HIS 6 3HB HIS 6 -3.218 -6.278 -42.740 43 HD1 HIS 6 HD1 HIS 6 -1.646 -9.732 -42.791 44 HD2 HIS 6 HD2 HIS 6 -1.924 -6.387 -40.341 45 HE1 HIS 6 HE1 HIS 6 -0.100 -10.178 -40.867 46 HE2 HIS 6 HE2 HIS 6 -0.335 -8.179 -39.360 47 H HIS 7 H HIS 7 -5.624 -9.719 -41.373 48 HA HIS 7 HA HIS 7 -7.143 -7.991 -39.716 49 HB2 HIS 7 2HB HIS 7 -6.438 -10.913 -39.359 50 HB3 HIS 7 3HB HIS 7 -7.668 -10.050 -38.439 51 HD1 HIS 7 HD1 HIS 7 -7.041 -11.661 -41.730 52 HD2 HIS 7 HD2 HIS 7 -10.020 -9.423 -39.894 53 HE1 HIS 7 HE1 HIS 7 -9.059 -11.892 -43.205 54 HE2 HIS 7 HE2 HIS 7 -10.887 -10.662 -41.992 55 H HIS 8 H HIS 8 -6.839 -7.276 -37.640 56 HA HIS 8 HA HIS 8 -4.143 -6.989 -36.732 57 HB2 HIS 8 2HB HIS 8 -6.795 -6.190 -35.526 58 HB3 HIS 8 3HB HIS 8 -5.262 -5.888 -34.714 59 HD1 HIS 8 HD1 HIS 8 -4.016 -3.823 -35.385 60 HD2 HIS 8 HD2 HIS 8 -7.039 -4.776 -38.071 61 HE1 HIS 8 HE1 HIS 8 -4.139 -1.885 -36.971 62 HE2 HIS 8 HE2 HIS 8 -6.078 -2.410 -38.480 63 H SER 9 H SER 9 -3.275 -8.958 -36.244 64 HA SER 9 HA SER 9 -4.504 -10.597 -34.137 65 HB2 SER 9 2HB SER 9 -2.040 -11.167 -35.814 66 HB3 SER 9 3HB SER 9 -2.863 -12.301 -34.739 67 HG SER 9 HG SER 9 -3.458 -11.569 -37.308 68 H HIS 10 H HIS 10 -3.367 -11.156 -32.222 69 HA HIS 10 HA HIS 10 -1.184 -9.285 -31.519 70 HB2 HIS 10 2HB HIS 10 -1.894 -9.549 -29.170 71 HB3 HIS 10 3HB HIS 10 -3.192 -8.927 -30.180 72 HD1 HIS 10 HD1 HIS 10 -5.291 -10.377 -30.438 73 HD2 HIS 10 HD2 HIS 10 -2.296 -12.162 -28.175 74 HE1 HIS 10 HE1 HIS 10 -6.363 -12.366 -29.347 75 HE2 HIS 10 HE2 HIS 10 -4.592 -13.294 -27.822 76 H MET 11 H MET 11 0.678 -10.057 -30.469 77 HA MET 11 HA MET 11 0.998 -12.784 -29.687 78 HB2 MET 11 2HB MET 11 2.585 -13.471 -31.468 79 HB3 MET 11 3HB MET 11 0.951 -13.228 -32.066 80 HG2 MET 11 2HG MET 11 1.604 -11.019 -32.920 81 HG3 MET 11 3HG MET 11 3.247 -11.297 -32.346 82 HE1 MET 11 3HE MET 11 0.857 -13.997 -33.974 83 HE2 MET 11 1HE MET 11 1.241 -13.786 -35.680 84 HE3 MET 11 2HE MET 11 0.432 -12.495 -34.792 85 H SER 12 H SER 12 3.350 -13.355 -29.330 86 HA SER 12 HA SER 12 5.312 -13.001 -28.271 87 HB2 SER 12 2HB SER 12 6.817 -11.311 -29.227 88 HB3 SER 12 3HB SER 12 5.966 -12.198 -30.489 89 HG SER 12 HG SER 12 5.918 -10.021 -30.988 90 H THR 13 H THR 13 2.916 -11.746 -27.013 91 HA THR 13 HA THR 13 3.781 -9.292 -25.800 92 HB THR 13 HB THR 13 1.846 -9.532 -24.297 93 HG1 THR 13 HG1 THR 13 2.125 -12.119 -24.766 94 HG21 THR 13 3HG2 THR 13 1.175 -10.234 -27.158 95 HG22 THR 13 1HG2 THR 13 1.510 -8.610 -26.552 96 HG23 THR 13 2HG2 THR 13 0.086 -9.486 -25.988 97 HA PRO 14 HA PRO 14 6.524 -11.170 -22.827 98 HB2 PRO 14 2HB PRO 14 6.558 -8.611 -21.394 99 HB3 PRO 14 3HB PRO 14 7.840 -9.390 -22.324 100 HG2 PRO 14 2HG PRO 14 6.604 -7.150 -23.189 101 HG3 PRO 14 3HG PRO 14 7.195 -8.393 -24.308 102 HD2 PRO 14 2HD PRO 14 4.398 -7.935 -23.298 103 HD3 PRO 14 3HD PRO 14 4.955 -8.262 -24.954 104 H LEU 15 H LEU 15 3.488 -11.108 -22.173 105 HA LEU 15 HA LEU 15 2.140 -11.749 -20.468 106 HB2 LEU 15 2HB LEU 15 4.792 -12.615 -19.318 107 HB3 LEU 15 3HB LEU 15 3.268 -12.928 -18.515 108 HG LEU 15 HG LEU 15 2.545 -14.196 -20.588 109 HD11 LEU 15 1HD1 LEU 15 5.475 -13.987 -21.281 110 HD12 LEU 15 2HD1 LEU 15 4.145 -13.250 -22.172 111 HD13 LEU 15 3HD1 LEU 15 4.285 -15.006 -22.092 112 HD21 LEU 15 3HD2 LEU 15 3.266 -15.323 -18.550 113 HD22 LEU 15 1HD2 LEU 15 4.948 -15.227 -19.074 114 HD23 LEU 15 2HD2 LEU 15 3.795 -16.210 -19.978 115 H THR 16 H THR 16 2.032 -11.666 -17.849 116 HA THR 16 HA THR 16 2.788 -8.940 -16.979 117 HB THR 16 HB THR 16 0.646 -8.875 -15.675 118 HG1 THR 16 HG1 THR 16 -0.272 -10.792 -15.517 119 HG21 THR 16 3HG2 THR 16 -0.810 -8.351 -17.573 120 HG22 THR 16 1HG2 THR 16 0.288 -9.196 -18.664 121 HG23 THR 16 2HG2 THR 16 0.816 -7.726 -17.842 122 H GLY 17 H GLY 17 4.326 -9.244 -15.457 123 HA2 GLY 17 2HA GLY 17 4.064 -11.535 -13.603 124 HA3 GLY 17 3HA GLY 17 5.562 -10.709 -13.992 125 H LYS 18 H LYS 18 5.496 -10.948 -11.485 126 HA LYS 18 HA LYS 18 4.483 -8.397 -10.385 127 HB2 LYS 18 2HB LYS 18 3.981 -9.505 -8.259 128 HB3 LYS 18 3HB LYS 18 3.054 -10.222 -9.569 129 HG2 LYS 18 2HG LYS 18 4.327 -12.189 -9.560 130 HG3 LYS 18 3HG LYS 18 5.648 -11.439 -8.664 131 HD2 LYS 18 2HD LYS 18 4.387 -12.972 -7.242 132 HD3 LYS 18 3HD LYS 18 4.237 -11.312 -6.667 133 HE2 LYS 18 2HE LYS 18 2.090 -12.444 -6.557 134 HE3 LYS 18 3HE LYS 18 2.033 -11.150 -7.753 135 HZ1 LYS 18 3HZ LYS 18 2.478 -14.011 -8.404 136 HZ2 LYS 18 1HZ LYS 18 2.248 -12.746 -9.504 137 HZ3 LYS 18 2HZ LYS 18 0.982 -13.232 -8.495 138 HA PRO 19 HA PRO 19 8.606 -8.316 -8.487 139 HB2 PRO 19 2HB PRO 19 8.368 -6.088 -7.032 140 HB3 PRO 19 3HB PRO 19 8.367 -6.022 -8.798 141 HG2 PRO 19 2HG PRO 19 6.084 -5.774 -6.895 142 HG3 PRO 19 3HG PRO 19 6.341 -4.971 -8.453 143 HD2 PRO 19 2HD PRO 19 4.745 -7.258 -7.981 144 HD3 PRO 19 3HD PRO 19 5.227 -6.614 -9.563 145 H GLY 20 H GLY 20 9.323 -9.544 -6.806 146 HA2 GLY 20 2HA GLY 20 7.534 -10.317 -4.675 147 HA3 GLY 20 3HA GLY 20 9.181 -10.870 -4.905 148 H ALA 21 H ALA 21 7.824 -7.614 -4.362 149 HA ALA 21 HA ALA 21 8.617 -7.329 -1.680 150 HB1 ALA 21 3HB ALA 21 10.899 -7.487 -2.528 151 HB2 ALA 21 1HB ALA 21 10.583 -5.859 -1.928 152 HB3 ALA 21 2HB ALA 21 10.591 -6.175 -3.663 153 H LEU 22 H LEU 22 8.731 -4.867 -1.081 154 HA LEU 22 HA LEU 22 6.558 -3.537 -2.514 155 HB2 LEU 22 2HB LEU 22 7.928 -2.910 0.105 156 HB3 LEU 22 3HB LEU 22 6.688 -1.892 -0.605 157 HG LEU 22 HG LEU 22 6.342 -4.736 0.363 158 HD11 LEU 22 1HD1 LEU 22 6.470 -3.067 2.143 159 HD12 LEU 22 2HD1 LEU 22 4.839 -3.722 1.999 160 HD13 LEU 22 3HD1 LEU 22 5.206 -2.118 1.357 161 HD21 LEU 22 3HD2 LEU 22 4.981 -4.367 -1.631 162 HD22 LEU 22 1HD2 LEU 22 4.325 -2.887 -0.927 163 HD23 LEU 22 2HD2 LEU 22 3.969 -4.452 -0.190 164 HA PRO 23 HA PRO 23 9.175 -0.662 -4.769 165 HB2 PRO 23 2HB PRO 23 6.842 1.146 -4.279 166 HB3 PRO 23 3HB PRO 23 7.685 0.781 -5.790 167 HG2 PRO 23 2HG PRO 23 5.308 -0.293 -5.296 168 HG3 PRO 23 3HG PRO 23 6.586 -1.257 -6.061 169 HD2 PRO 23 2HD PRO 23 5.616 -1.305 -3.226 170 HD3 PRO 23 3HD PRO 23 6.126 -2.652 -4.265 171 H ALA 24 H ALA 24 10.565 0.998 -4.222 172 HA ALA 24 HA ALA 24 10.872 1.580 -1.442 173 HB1 ALA 24 3HB ALA 24 12.838 2.851 -2.122 174 HB2 ALA 24 1HB ALA 24 12.332 2.748 -3.809 175 HB3 ALA 24 2HB ALA 24 12.786 1.287 -2.934 176 H ASN 25 H ASN 25 9.254 3.217 -4.030 177 HA ASN 25 HA ASN 25 9.249 5.766 -2.554 178 HB2 ASN 25 2HB ASN 25 8.503 5.126 -5.414 179 HB3 ASN 25 3HB ASN 25 8.355 6.724 -4.687 180 HD21 ASN 25 1HD2 ASN 25 10.527 4.325 -5.893 181 HD22 ASN 25 2HD2 ASN 25 11.941 5.317 -5.899 182 H LEU 26 H LEU 26 7.479 3.409 -1.840 183 HA LEU 26 HA LEU 26 4.831 3.744 -2.533 184 HB2 LEU 26 2HB LEU 26 6.015 3.017 0.144 185 HB3 LEU 26 3HB LEU 26 4.292 2.955 -0.178 186 HG LEU 26 HG LEU 26 6.408 1.319 -1.595 187 HD11 LEU 26 1HD1 LEU 26 5.385 -0.581 -0.440 188 HD12 LEU 26 2HD1 LEU 26 4.302 0.518 0.416 189 HD13 LEU 26 3HD1 LEU 26 6.041 0.591 0.704 190 HD21 LEU 26 3HD2 LEU 26 3.400 1.307 -1.877 191 HD22 LEU 26 1HD2 LEU 26 4.505 0.151 -2.623 192 HD23 LEU 26 2HD2 LEU 26 4.562 1.851 -3.089 193 H ASP 27 H ASP 27 6.622 5.566 -0.066 194 HA ASP 27 HA ASP 27 4.449 7.142 0.829 195 HB2 ASP 27 2HB ASP 27 7.368 7.939 0.848 196 HB3 ASP 27 3HB ASP 27 6.102 8.481 1.948 197 H ASP 28 H ASP 28 6.746 7.531 -1.803 198 HA ASP 28 HA ASP 28 6.086 10.243 -2.429 199 HB2 ASP 28 2HB ASP 28 8.258 9.176 -3.006 200 HB3 ASP 28 3HB ASP 28 7.423 8.132 -4.148 201 H MET 29 H MET 29 4.855 7.116 -3.393 202 HA MET 29 HA MET 29 3.544 7.854 -5.777 203 HB2 MET 29 2HB MET 29 2.963 5.599 -3.842 204 HB3 MET 29 3HB MET 29 2.243 5.749 -5.443 205 HG2 MET 29 2HG MET 29 4.393 5.522 -6.494 206 HG3 MET 29 3HG MET 29 5.205 5.554 -4.931 207 HE1 MET 29 3HE MET 29 2.458 2.097 -6.294 208 HE2 MET 29 1HE MET 29 2.803 3.509 -7.293 209 HE3 MET 29 2HE MET 29 1.854 3.683 -5.818 210 H LYS 30 H LYS 30 1.259 8.022 -6.191 211 HA LYS 30 HA LYS 30 -0.038 9.819 -4.340 212 HB2 LYS 30 2HB LYS 30 -0.907 8.739 -7.030 213 HB3 LYS 30 3HB LYS 30 -1.740 10.009 -6.142 214 HG2 LYS 30 2HG LYS 30 0.045 11.528 -6.424 215 HG3 LYS 30 3HG LYS 30 1.150 10.255 -6.943 216 HD2 LYS 30 2HD LYS 30 0.439 11.613 -8.844 217 HD3 LYS 30 3HD LYS 30 -0.153 9.960 -9.002 218 HE2 LYS 30 2HE LYS 30 -2.355 10.673 -8.197 219 HE3 LYS 30 3HE LYS 30 -1.761 12.327 -8.030 220 HZ1 LYS 30 3HZ LYS 30 -2.976 12.023 -10.095 221 HZ2 LYS 30 1HZ LYS 30 -1.917 10.794 -10.570 222 HZ3 LYS 30 2HZ LYS 30 -1.356 12.379 -10.411 223 H VAL 31 H VAL 31 -2.275 9.581 -3.666 224 HA VAL 31 HA VAL 31 -2.716 7.338 -2.121 225 HB VAL 31 HB VAL 31 -4.950 9.076 -3.191 226 HG11 VAL 31 1HG1 VAL 31 -5.691 7.135 -1.918 227 HG12 VAL 31 2HG1 VAL 31 -5.993 8.618 -1.014 228 HG13 VAL 31 3HG1 VAL 31 -4.630 7.583 -0.583 229 HG21 VAL 31 3HG2 VAL 31 -4.516 10.560 -1.252 230 HG22 VAL 31 1HG2 VAL 31 -3.198 10.556 -2.426 231 HG23 VAL 31 2HG2 VAL 31 -3.041 9.653 -0.922 232 H ALA 32 H ALA 32 -4.280 8.088 -5.248 233 HA ALA 32 HA ALA 32 -5.823 5.729 -5.401 234 HB1 ALA 32 3HB ALA 32 -4.840 7.465 -7.669 235 HB2 ALA 32 1HB ALA 32 -6.303 7.732 -6.725 236 HB3 ALA 32 2HB ALA 32 -6.163 6.303 -7.746 237 H GLU 33 H GLU 33 -2.468 6.333 -6.222 238 HA GLU 33 HA GLU 33 -2.129 4.019 -7.878 239 HB2 GLU 33 2HB GLU 33 -0.046 5.645 -6.396 240 HB3 GLU 33 3HB GLU 33 0.284 4.463 -7.655 241 HG2 GLU 33 2HG GLU 33 -1.091 5.878 -9.214 242 HG3 GLU 33 3HG GLU 33 -1.137 7.105 -7.948 243 H LEU 34 H LEU 34 -1.457 4.745 -4.461 244 HA LEU 34 HA LEU 34 -0.440 2.236 -3.710 245 HB2 LEU 34 2HB LEU 34 -2.119 4.147 -2.067 246 HB3 LEU 34 3HB LEU 34 -1.143 2.839 -1.423 247 HG LEU 34 HG LEU 34 -0.057 5.239 -2.913 248 HD11 LEU 34 1HD1 LEU 34 -0.964 5.873 -0.744 249 HD12 LEU 34 2HD1 LEU 34 0.797 5.955 -0.736 250 HD13 LEU 34 3HD1 LEU 34 -0.027 4.600 0.039 251 HD21 LEU 34 3HD2 LEU 34 1.322 3.232 -3.188 252 HD22 LEU 34 1HD2 LEU 34 1.376 3.023 -1.438 253 HD23 LEU 34 2HD2 LEU 34 2.131 4.433 -2.184 254 H LYS 35 H LYS 35 -3.752 3.378 -4.075 255 HA LYS 35 HA LYS 35 -5.074 1.111 -3.038 256 HB2 LYS 35 2HB LYS 35 -5.970 3.144 -5.094 257 HB3 LYS 35 3HB LYS 35 -7.029 1.942 -4.360 258 HG2 LYS 35 2HG LYS 35 -6.596 2.890 -2.151 259 HG3 LYS 35 3HG LYS 35 -5.513 4.082 -2.868 260 HD2 LYS 35 2HD LYS 35 -7.368 5.060 -4.110 261 HD3 LYS 35 3HD LYS 35 -8.461 3.820 -3.484 262 HE2 LYS 35 2HE LYS 35 -8.109 4.627 -1.212 263 HE3 LYS 35 3HE LYS 35 -6.960 5.828 -1.795 264 HZ1 LYS 35 3HZ LYS 35 -9.846 5.729 -2.488 265 HZ2 LYS 35 1HZ LYS 35 -8.739 6.894 -3.014 266 HZ3 LYS 35 2HZ LYS 35 -9.134 6.783 -1.377 267 H GLN 36 H GLN 36 -3.680 1.763 -6.204 268 HA GLN 36 HA GLN 36 -4.751 -0.503 -7.537 269 HB2 GLN 36 2HB GLN 36 -3.734 1.346 -8.777 270 HB3 GLN 36 3HB GLN 36 -2.176 1.019 -8.030 271 HG2 GLN 36 2HG GLN 36 -2.229 0.177 -10.303 272 HG3 GLN 36 3HG GLN 36 -2.080 -1.149 -9.153 273 HE21 GLN 36 1HE2 GLN 36 -2.874 -2.648 -10.616 274 HE22 GLN 36 2HE2 GLN 36 -4.536 -2.707 -11.077 275 H GLU 37 H GLU 37 -1.710 0.014 -5.760 276 HA GLU 37 HA GLU 37 -0.589 -2.530 -5.901 277 HB2 GLU 37 2HB GLU 37 -0.614 -0.578 -3.576 278 HB3 GLU 37 3HB GLU 37 0.449 -1.973 -3.684 279 HG2 GLU 37 2HG GLU 37 0.429 0.248 -5.721 280 HG3 GLU 37 3HG GLU 37 1.461 0.252 -4.290 281 H LEU 38 H LEU 38 -2.864 -1.257 -3.492 282 HA LEU 38 HA LEU 38 -3.053 -3.502 -1.845 283 HB2 LEU 38 2HB LEU 38 -5.031 -1.318 -2.432 284 HB3 LEU 38 3HB LEU 38 -5.241 -2.482 -1.138 285 HG LEU 38 HG LEU 38 -2.901 -0.569 -1.332 286 HD11 LEU 38 1HD1 LEU 38 -5.414 -0.353 0.327 287 HD12 LEU 38 2HD1 LEU 38 -4.975 0.671 -1.041 288 HD13 LEU 38 3HD1 LEU 38 -4.008 0.706 0.434 289 HD21 LEU 38 3HD2 LEU 38 -2.413 -2.583 -0.039 290 HD22 LEU 38 1HD2 LEU 38 -3.867 -2.336 0.931 291 HD23 LEU 38 2HD2 LEU 38 -2.536 -1.179 1.018 292 H LYS 39 H LYS 39 -5.292 -2.538 -4.486 293 HA LYS 39 HA LYS 39 -7.147 -4.597 -4.066 294 HB2 LYS 39 2HB LYS 39 -8.012 -4.100 -6.302 295 HB3 LYS 39 3HB LYS 39 -7.690 -2.630 -5.391 296 HG2 LYS 39 2HG LYS 39 -5.614 -2.296 -6.631 297 HG3 LYS 39 3HG LYS 39 -5.895 -3.794 -7.522 298 HD2 LYS 39 2HD LYS 39 -6.546 -1.827 -8.836 299 HD3 LYS 39 3HD LYS 39 -7.933 -2.861 -8.486 300 HE2 LYS 39 2HE LYS 39 -8.548 -1.363 -6.622 301 HE3 LYS 39 3HE LYS 39 -7.189 -0.316 -7.034 302 HZ1 LYS 39 3HZ LYS 39 -8.187 0.098 -9.176 303 HZ2 LYS 39 1HZ LYS 39 -9.280 0.491 -7.950 304 HZ3 LYS 39 2HZ LYS 39 -9.471 -0.939 -8.826 305 H LEU 40 H LEU 40 -4.195 -4.602 -5.990 306 HA LEU 40 HA LEU 40 -4.666 -7.053 -7.353 307 HB2 LEU 40 2HB LEU 40 -2.069 -5.684 -6.633 308 HB3 LEU 40 3HB LEU 40 -2.208 -7.030 -7.746 309 HG LEU 40 HG LEU 40 -3.425 -4.285 -8.140 310 HD11 LEU 40 1HD1 LEU 40 -1.095 -5.604 -9.538 311 HD12 LEU 40 2HD1 LEU 40 -0.992 -4.285 -8.370 312 HD13 LEU 40 3HD1 LEU 40 -1.786 -4.025 -9.922 313 HD21 LEU 40 3HD2 LEU 40 -4.799 -6.048 -9.141 314 HD22 LEU 40 1HD2 LEU 40 -3.388 -6.664 -10.003 315 HD23 LEU 40 2HD2 LEU 40 -4.020 -5.060 -10.374 316 H ARG 41 H ARG 41 -4.106 -6.444 -4.109 317 HA ARG 41 HA ARG 41 -3.097 -9.175 -3.598 318 HB2 ARG 41 2HB ARG 41 -2.594 -6.712 -1.907 319 HB3 ARG 41 3HB ARG 41 -1.848 -8.299 -1.718 320 HG2 ARG 41 2HG ARG 41 -0.518 -8.038 -3.620 321 HG3 ARG 41 3HG ARG 41 -1.530 -6.751 -4.269 322 HD2 ARG 41 2HD ARG 41 -0.753 -5.452 -2.129 323 HD3 ARG 41 3HD ARG 41 0.568 -6.627 -2.139 324 HE ARG 41 HE ARG 41 0.151 -5.450 -4.697 325 HH11 ARG 41 1HH1 ARG 41 1.589 -4.796 -1.637 326 HH12 ARG 41 2HH1 ARG 41 2.769 -3.735 -2.310 327 HH21 ARG 41 1HH2 ARG 41 1.667 -4.130 -5.540 328 HH22 ARG 41 2HH2 ARG 41 2.798 -3.331 -4.508 329 H SER 42 H SER 42 -5.865 -7.768 -3.664 330 HA SER 42 HA SER 42 -7.868 -7.899 -2.588 331 HB2 SER 42 2HB SER 42 -6.468 -10.113 -1.059 332 HB3 SER 42 3HB SER 42 -8.199 -9.796 -0.990 333 HG SER 42 HG SER 42 -6.679 -10.971 -2.983 334 H LEU 43 H LEU 43 -5.884 -6.033 -1.580 335 HA LEU 43 HA LEU 43 -6.465 -5.906 1.296 336 HB2 LEU 43 2HB LEU 43 -4.535 -4.381 -0.458 337 HB3 LEU 43 3HB LEU 43 -4.785 -4.023 1.240 338 HG LEU 43 HG LEU 43 -3.858 -6.724 0.258 339 HD11 LEU 43 1HD1 LEU 43 -2.199 -5.051 -0.396 340 HD12 LEU 43 2HD1 LEU 43 -1.596 -6.041 0.932 341 HD13 LEU 43 3HD1 LEU 43 -2.183 -4.408 1.247 342 HD21 LEU 43 3HD2 LEU 43 -3.817 -5.404 2.972 343 HD22 LEU 43 1HD2 LEU 43 -3.155 -6.994 2.593 344 HD23 LEU 43 2HD2 LEU 43 -4.890 -6.710 2.464 345 HA PRO 44 HA PRO 44 -9.715 -2.934 0.678 346 HB2 PRO 44 2HB PRO 44 -9.675 -1.748 3.161 347 HB3 PRO 44 3HB PRO 44 -10.422 -3.312 2.820 348 HG2 PRO 44 2HG PRO 44 -7.738 -2.707 4.000 349 HG3 PRO 44 3HG PRO 44 -8.913 -3.953 4.463 350 HD2 PRO 44 2HD PRO 44 -6.724 -4.518 2.980 351 HD3 PRO 44 3HD PRO 44 -8.258 -5.380 2.757 352 H VAL 45 H VAL 45 -9.773 -1.010 -0.277 353 HA VAL 45 HA VAL 45 -7.420 0.757 -0.100 354 HB VAL 45 HB VAL 45 -8.108 1.650 -2.260 355 HG11 VAL 45 1HG1 VAL 45 -7.842 -0.374 -3.639 356 HG12 VAL 45 2HG1 VAL 45 -8.149 -1.372 -2.218 357 HG13 VAL 45 3HG1 VAL 45 -6.716 -0.346 -2.281 358 HG21 VAL 45 3HG2 VAL 45 -10.477 -0.225 -2.065 359 HG22 VAL 45 1HG2 VAL 45 -10.043 0.738 -3.478 360 HG23 VAL 45 2HG2 VAL 45 -10.536 1.536 -1.986 361 H SER 46 H SER 46 -9.960 0.663 1.657 362 HA SER 46 HA SER 46 -11.542 2.948 1.087 363 HB2 SER 46 2HB SER 46 -12.473 1.146 2.377 364 HB3 SER 46 3HB SER 46 -11.216 1.302 3.602 365 HG SER 46 HG SER 46 -13.267 2.276 4.157 366 H GLY 47 H GLY 47 -8.792 2.491 3.294 367 HA2 GLY 47 2HA GLY 47 -9.260 4.888 4.762 368 HA3 GLY 47 3HA GLY 47 -7.829 3.885 4.848 369 H THR 48 H THR 48 -7.250 6.332 5.189 370 HA THR 48 HA THR 48 -6.780 7.888 2.815 371 HB THR 48 HB THR 48 -5.540 9.415 4.279 372 HG1 THR 48 HG1 THR 48 -6.067 7.852 6.552 373 HG21 THR 48 3HG2 THR 48 -7.334 9.974 5.863 374 HG22 THR 48 1HG2 THR 48 -8.074 8.397 5.588 375 HG23 THR 48 2HG2 THR 48 -7.992 9.572 4.275 376 H LYS 49 H LYS 49 -4.448 8.752 2.445 377 HA LYS 49 HA LYS 49 -2.939 6.739 1.323 378 HB2 LYS 49 2HB LYS 49 -2.647 9.078 0.711 379 HB3 LYS 49 3HB LYS 49 -1.967 9.435 2.292 380 HG2 LYS 49 2HG LYS 49 -0.047 8.035 1.830 381 HG3 LYS 49 3HG LYS 49 -0.742 7.552 0.281 382 HD2 LYS 49 2HD LYS 49 -0.606 9.862 -0.510 383 HD3 LYS 49 3HD LYS 49 0.050 10.368 1.050 384 HE2 LYS 49 2HE LYS 49 2.014 8.981 0.705 385 HE3 LYS 49 3HE LYS 49 1.347 8.367 -0.806 386 HZ1 LYS 49 3HZ LYS 49 2.994 10.103 -1.165 387 HZ2 LYS 49 1HZ LYS 49 2.060 11.202 -0.279 388 HZ3 LYS 49 2HZ LYS 49 1.474 10.573 -1.738 389 H THR 50 H THR 50 -2.222 8.355 4.449 390 HA THR 50 HA THR 50 0.024 6.865 5.152 391 HB THR 50 HB THR 50 -2.102 7.958 7.018 392 HG1 THR 50 HG1 THR 50 0.225 9.340 6.945 393 HG21 THR 50 3HG2 THR 50 0.762 7.163 7.598 394 HG22 THR 50 1HG2 THR 50 -0.682 6.312 8.158 395 HG23 THR 50 2HG2 THR 50 -0.339 7.944 8.732 396 H GLU 51 H GLU 51 -3.408 6.146 5.797 397 HA GLU 51 HA GLU 51 -3.074 3.744 7.204 398 HB2 GLU 51 2HB GLU 51 -5.316 4.604 5.356 399 HB3 GLU 51 3HB GLU 51 -5.398 3.218 6.436 400 HG2 GLU 51 2HG GLU 51 -5.203 4.655 8.368 401 HG3 GLU 51 3HG GLU 51 -4.977 6.065 7.331 402 H LEU 52 H LEU 52 -3.307 4.343 3.716 403 HA LEU 52 HA LEU 52 -3.346 1.634 2.897 404 HB2 LEU 52 2HB LEU 52 -2.252 3.955 1.305 405 HB3 LEU 52 3HB LEU 52 -2.888 2.445 0.681 406 HG LEU 52 HG LEU 52 -4.460 4.666 1.994 407 HD11 LEU 52 1HD1 LEU 52 -4.509 3.577 -0.815 408 HD12 LEU 52 2HD1 LEU 52 -3.811 5.116 -0.310 409 HD13 LEU 52 3HD1 LEU 52 -5.550 4.850 -0.180 410 HD21 LEU 52 3HD2 LEU 52 -5.361 2.493 2.669 411 HD22 LEU 52 1HD2 LEU 52 -5.457 2.006 0.978 412 HD23 LEU 52 2HD2 LEU 52 -6.454 3.331 1.569 413 H ILE 53 H ILE 53 -0.660 3.972 3.160 414 HA ILE 53 HA ILE 53 1.422 2.313 2.291 415 HB ILE 53 HB ILE 53 1.565 4.508 4.377 416 HG12 ILE 53 2HG1 ILE 53 2.038 4.611 1.378 417 HG13 ILE 53 3HG1 ILE 53 0.641 5.275 2.218 418 HG21 ILE 53 1HG2 ILE 53 3.767 3.268 2.714 419 HG22 ILE 53 2HG2 ILE 53 3.531 3.053 4.450 420 HG23 ILE 53 3HG2 ILE 53 3.949 4.642 3.808 421 HD11 ILE 53 3HD1 ILE 53 2.087 6.849 3.390 422 HD12 ILE 53 1HD1 ILE 53 2.231 7.012 1.641 423 HD13 ILE 53 2HD1 ILE 53 3.491 6.185 2.555 424 H GLU 54 H GLU 54 0.295 2.915 5.632 425 HA GLU 54 HA GLU 54 2.003 1.125 6.934 426 HB2 GLU 54 2HB GLU 54 -0.814 1.953 7.673 427 HB3 GLU 54 3HB GLU 54 0.289 1.104 8.749 428 HG2 GLU 54 2HG GLU 54 1.857 3.017 8.594 429 HG3 GLU 54 3HG GLU 54 0.673 3.869 7.602 430 H ARG 55 H ARG 55 -1.193 0.576 5.484 431 HA ARG 55 HA ARG 55 -1.503 -2.114 6.268 432 HB2 ARG 55 2HB ARG 55 -3.369 -0.782 5.469 433 HB3 ARG 55 3HB ARG 55 -2.623 -0.621 3.887 434 HG2 ARG 55 2HG ARG 55 -2.972 -2.930 3.396 435 HG3 ARG 55 3HG ARG 55 -3.464 -3.266 5.059 436 HD2 ARG 55 2HD ARG 55 -4.948 -1.381 3.223 437 HD3 ARG 55 3HD ARG 55 -5.345 -3.090 3.393 438 HE ARG 55 HE ARG 55 -5.825 -2.629 5.757 439 HH11 ARG 55 1HH1 ARG 55 -5.798 0.056 3.585 440 HH12 ARG 55 2HH1 ARG 55 -6.812 1.015 4.603 441 HH21 ARG 55 1HH2 ARG 55 -7.152 -1.395 7.019 442 HH22 ARG 55 2HH2 ARG 55 -7.572 0.207 6.511 443 H LEU 56 H LEU 56 -0.025 -0.694 3.357 444 HA LEU 56 HA LEU 56 0.626 -3.091 2.032 445 HB2 LEU 56 2HB LEU 56 1.920 -0.363 2.007 446 HB3 LEU 56 3HB LEU 56 2.495 -1.677 0.997 447 HG LEU 56 HG LEU 56 -0.314 -0.559 0.882 448 HD11 LEU 56 1HD1 LEU 56 0.397 0.514 -1.214 449 HD12 LEU 56 2HD1 LEU 56 2.055 -0.007 -0.913 450 HD13 LEU 56 3HD1 LEU 56 1.279 1.139 0.179 451 HD21 LEU 56 3HD2 LEU 56 -0.440 -1.810 -1.233 452 HD22 LEU 56 1HD2 LEU 56 -0.149 -2.880 0.139 453 HD23 LEU 56 2HD2 LEU 56 1.177 -2.456 -0.945 454 H ARG 57 H ARG 57 2.587 -1.115 4.261 455 HA ARG 57 HA ARG 57 4.776 -2.962 4.241 456 HB2 ARG 57 2HB ARG 57 4.183 -0.541 5.952 457 HB3 ARG 57 3HB ARG 57 5.676 -1.472 6.063 458 HG2 ARG 57 2HG ARG 57 6.116 -1.012 3.680 459 HG3 ARG 57 3HG ARG 57 4.653 -0.033 3.616 460 HD2 ARG 57 2HD ARG 57 5.578 1.617 5.034 461 HD3 ARG 57 3HD ARG 57 6.911 0.566 5.520 462 HE ARG 57 HE ARG 57 7.593 0.721 3.082 463 HH11 ARG 57 1HH1 ARG 57 6.006 3.315 4.725 464 HH12 ARG 57 2HH1 ARG 57 6.645 4.516 3.651 465 HH21 ARG 57 1HH2 ARG 57 8.396 2.270 1.743 466 HH22 ARG 57 2HH2 ARG 57 7.982 3.930 1.997 467 H ALA 58 H ALA 58 1.872 -2.726 6.111 468 HA ALA 58 HA ALA 58 2.712 -4.506 8.209 469 HB1 ALA 58 3HB ALA 58 0.310 -4.707 8.712 470 HB2 ALA 58 1HB ALA 58 -0.069 -3.816 7.238 471 HB3 ALA 58 2HB ALA 58 0.805 -3.023 8.548 472 H TYR 59 H TYR 59 0.943 -4.862 5.150 473 HA TYR 59 HA TYR 59 0.581 -7.656 5.220 474 HB2 TYR 59 2HB TYR 59 -0.516 -6.007 3.644 475 HB3 TYR 59 3HB TYR 59 0.996 -5.953 2.747 476 HD1 TYR 59 HD2 TYR 59 -1.642 -8.314 3.917 477 HD2 TYR 59 HD1 TYR 59 1.377 -7.509 1.019 478 HE1 TYR 59 HE2 TYR 59 -2.390 -10.252 2.606 479 HE2 TYR 59 HE1 TYR 59 0.636 -9.451 -0.297 480 HH TYR 59 HH TYR 59 -0.589 -11.630 0.170 481 H GLN 60 H GLN 60 3.331 -5.672 4.435 482 HA GLN 60 HA GLN 60 4.911 -7.747 3.236 483 HB2 GLN 60 2HB GLN 60 5.289 -5.353 2.769 484 HB3 GLN 60 3HB GLN 60 5.755 -5.101 4.444 485 HG2 GLN 60 2HG GLN 60 7.719 -5.212 3.059 486 HG3 GLN 60 3HG GLN 60 7.669 -6.615 4.125 487 HE21 GLN 60 1HE2 GLN 60 5.699 -6.315 1.242 488 HE22 GLN 60 2HE2 GLN 60 6.506 -7.544 0.344 489 H ASP 61 H ASP 61 4.642 -6.383 6.506 490 HA ASP 61 HA ASP 61 6.923 -7.493 7.663 491 HB2 ASP 61 2HB ASP 61 5.537 -5.760 8.730 492 HB3 ASP 61 3HB ASP 61 4.243 -6.931 8.962 493 H GLN 62 H GLN 62 3.909 -9.043 6.853 494 HA GLN 62 HA GLN 62 4.480 -11.395 8.492 495 HB2 GLN 62 2HB GLN 62 2.272 -12.189 7.719 496 HB3 GLN 62 3HB GLN 62 2.190 -10.587 8.444 497 HG2 GLN 62 2HG GLN 62 2.240 -9.623 6.139 498 HG3 GLN 62 3HG GLN 62 2.111 -11.266 5.510 499 HE21 GLN 62 1HE2 GLN 62 0.132 -10.809 4.523 500 HE22 GLN 62 2HE2 GLN 62 -1.324 -10.616 5.430 501 H ILE 63 H ILE 63 5.513 -10.386 5.524 502 HA ILE 63 HA ILE 63 5.998 -13.159 4.646 503 HB ILE 63 HB ILE 63 5.723 -12.489 2.279 504 HG12 ILE 63 2HG1 ILE 63 4.583 -9.922 3.429 505 HG13 ILE 63 3HG1 ILE 63 6.102 -10.062 2.550 506 HG21 ILE 63 1HG2 ILE 63 3.257 -12.059 3.973 507 HG22 ILE 63 2HG2 ILE 63 3.896 -13.615 3.438 508 HG23 ILE 63 3HG2 ILE 63 3.272 -12.467 2.255 509 HD11 ILE 63 3HD1 ILE 63 3.350 -10.574 1.439 510 HD12 ILE 63 1HD1 ILE 63 4.862 -10.755 0.550 511 HD13 ILE 63 2HD1 ILE 63 4.365 -9.166 1.129 512 H SER 64 H SER 64 7.399 -10.372 5.620 513 HA SER 64 HA SER 64 9.499 -10.159 3.629 514 HB2 SER 64 2HB SER 64 8.633 -8.113 4.660 515 HB3 SER 64 3HB SER 64 9.112 -8.692 6.255 516 HG SER 64 HG SER 64 10.620 -7.209 5.311 517 HA PRO 65 HA PRO 65 12.403 -12.772 5.865 518 HB2 PRO 65 2HB PRO 65 14.632 -12.161 4.439 519 HB3 PRO 65 3HB PRO 65 13.366 -13.225 3.814 520 HG2 PRO 65 2HG PRO 65 13.854 -10.323 3.242 521 HG3 PRO 65 3HG PRO 65 13.411 -11.625 2.123 522 HD2 PRO 65 2HD PRO 65 11.610 -9.828 3.116 523 HD3 PRO 65 3HD PRO 65 11.173 -11.485 2.649 524 H VAL 66 H VAL 66 12.308 -11.609 7.849 525 HA VAL 66 HA VAL 66 13.586 -9.091 8.229 526 HB VAL 66 HB VAL 66 13.141 -9.417 10.623 527 HG11 VAL 66 1HG1 VAL 66 11.350 -8.566 9.206 528 HG12 VAL 66 2HG1 VAL 66 10.693 -9.573 10.494 529 HG13 VAL 66 3HG1 VAL 66 10.817 -10.212 8.855 530 HG21 VAL 66 3HG2 VAL 66 12.191 -12.182 9.840 531 HG22 VAL 66 1HG2 VAL 66 12.028 -11.448 11.436 532 HG23 VAL 66 2HG2 VAL 66 13.628 -11.810 10.792 533 HA PRO 67 HA PRO 67 17.834 -10.272 9.085 534 HB2 PRO 67 2HB PRO 67 17.737 -8.080 11.101 535 HB3 PRO 67 3HB PRO 67 18.854 -8.325 9.753 536 HG2 PRO 67 2HG PRO 67 16.961 -6.455 9.611 537 HG3 PRO 67 3HG PRO 67 17.368 -7.441 8.192 538 HD2 PRO 67 2HD PRO 67 15.043 -7.696 10.072 539 HD3 PRO 67 3HD PRO 67 15.077 -7.837 8.302 540 H GLY 68 H GLY 68 16.149 -9.191 12.072 541 HA2 GLY 68 2HA GLY 68 16.890 -11.757 13.341 542 HA3 GLY 68 3HA GLY 68 17.315 -10.248 14.128 543 H ALA 69 H ALA 69 14.931 -8.809 13.594 544 HA ALA 69 HA ALA 69 12.858 -8.406 14.424 545 HB1 ALA 69 3HB ALA 69 12.180 -10.415 13.188 546 HB2 ALA 69 1HB ALA 69 11.270 -10.239 14.687 547 HB3 ALA 69 2HB ALA 69 12.582 -11.413 14.584 548 HA PRO 70 HA PRO 70 13.231 -7.936 18.808 549 HB2 PRO 70 2HB PRO 70 10.338 -8.725 18.921 550 HB3 PRO 70 3HB PRO 70 11.159 -7.349 19.671 551 HG2 PRO 70 2HG PRO 70 9.704 -6.986 17.483 552 HG3 PRO 70 3HG PRO 70 11.257 -6.148 17.674 553 HD2 PRO 70 2HD PRO 70 10.573 -8.508 15.969 554 HD3 PRO 70 3HD PRO 70 11.704 -7.176 15.653 555 H LYS 71 H LYS 71 14.440 -9.516 19.735 556 HA LYS 71 HA LYS 71 13.651 -12.262 19.905 557 HB2 LYS 71 2HB LYS 71 16.001 -11.666 19.863 558 HB3 LYS 71 3HB LYS 71 15.828 -10.701 21.320 559 HG2 LYS 71 2HG LYS 71 15.467 -12.652 22.658 560 HG3 LYS 71 3HG LYS 71 15.374 -13.680 21.227 561 HD2 LYS 71 2HD LYS 71 17.850 -12.069 21.783 562 HD3 LYS 71 3HD LYS 71 17.581 -13.603 22.611 563 HE2 LYS 71 2HE LYS 71 18.963 -13.881 20.597 564 HE3 LYS 71 3HE LYS 71 17.447 -14.766 20.479 565 HZ1 LYS 71 3HZ LYS 71 18.033 -13.613 18.423 566 HZ2 LYS 71 1HZ LYS 71 17.975 -12.126 19.219 567 HZ3 LYS 71 2HZ LYS 71 16.570 -13.055 19.049 568 H ALA 72 H ALA 72 11.931 -12.834 21.089 569 HA ALA 72 HA ALA 72 10.325 -12.914 22.698 570 HB1 ALA 72 3HB ALA 72 12.615 -12.224 24.550 571 HB2 ALA 72 1HB ALA 72 12.181 -13.846 24.004 572 HB3 ALA 72 2HB ALA 72 11.068 -12.932 25.023 573 HA PRO 73 HA PRO 73 9.863 -8.293 22.184 574 HB2 PRO 73 2HB PRO 73 7.026 -9.187 21.934 575 HB3 PRO 73 3HB PRO 73 7.943 -8.051 20.938 576 HG2 PRO 73 2HG PRO 73 7.425 -10.502 20.048 577 HG3 PRO 73 3HG PRO 73 9.005 -9.752 19.745 578 HD2 PRO 73 2HD PRO 73 8.251 -11.848 21.749 579 HD3 PRO 73 3HD PRO 73 9.724 -11.705 20.767 580 H ALA 74 H ALA 74 10.432 -8.267 24.516 581 HA ALA 74 HA ALA 74 10.064 -7.675 26.680 582 HB1 ALA 74 3HB ALA 74 7.615 -6.359 25.509 583 HB2 ALA 74 1HB ALA 74 9.245 -5.684 25.502 584 HB3 ALA 74 2HB ALA 74 8.405 -5.943 27.031 585 H ALA 75 H ALA 75 8.881 -10.242 25.832 586 HA ALA 75 HA ALA 75 6.341 -10.577 27.098 587 HB1 ALA 75 3HB ALA 75 8.342 -12.676 26.254 588 HB2 ALA 75 1HB ALA 75 7.064 -11.997 25.244 589 HB3 ALA 75 2HB ALA 75 6.648 -12.956 26.664 Start of MODEL 18 1 H1 MET 1 1H MET 1 -4.821 -53.630 -27.046 2 H2 MET 1 2H MET 1 -3.979 -55.056 -27.388 3 H3 MET 1 3H MET 1 -5.634 -54.955 -27.714 4 HA MET 1 HA MET 1 -4.374 -54.775 -29.739 5 HB2 MET 1 2HB MET 1 -6.497 -53.591 -29.600 6 HB3 MET 1 3HB MET 1 -5.712 -52.204 -28.859 7 HG2 MET 1 2HG MET 1 -6.219 -51.816 -31.218 8 HG3 MET 1 3HG MET 1 -4.485 -51.765 -30.903 9 HE1 MET 1 3HE MET 1 -6.595 -55.379 -32.874 10 HE2 MET 1 1HE MET 1 -7.448 -53.910 -32.401 11 HE3 MET 1 2HE MET 1 -6.762 -54.969 -31.169 12 H GLY 2 H GLY 2 -2.190 -54.728 -29.975 13 HA2 GLY 2 2HA GLY 2 -0.270 -53.630 -30.686 14 HA3 GLY 2 3HA GLY 2 -0.984 -52.107 -30.194 15 H HIS 3 H HIS 3 -0.047 -55.085 -28.463 16 HA HIS 3 HA HIS 3 1.165 -55.450 -26.585 17 HB2 HIS 3 2HB HIS 3 3.549 -54.561 -26.773 18 HB3 HIS 3 3HB HIS 3 2.949 -55.558 -28.089 19 HD1 HIS 3 HD1 HIS 3 4.238 -52.168 -27.318 20 HD2 HIS 3 HD2 HIS 3 2.517 -54.159 -30.529 21 HE1 HIS 3 HE1 HIS 3 4.598 -50.682 -29.299 22 HE2 HIS 3 HE2 HIS 3 3.345 -51.798 -31.169 23 H HIS 4 H HIS 4 2.107 -52.003 -27.032 24 HA HIS 4 HA HIS 4 1.431 -51.566 -24.195 25 HB2 HIS 4 2HB HIS 4 3.783 -52.015 -24.176 26 HB3 HIS 4 3HB HIS 4 4.062 -50.981 -25.567 27 HD1 HIS 4 HD1 HIS 4 3.432 -50.837 -21.861 28 HD2 HIS 4 HD2 HIS 4 4.432 -48.284 -24.988 29 HE1 HIS 4 HE1 HIS 4 4.098 -48.673 -20.781 30 HE2 HIS 4 HE2 HIS 4 4.826 -47.194 -22.675 31 H HIS 5 H HIS 5 0.102 -49.852 -23.999 32 HA HIS 5 HA HIS 5 0.612 -47.455 -25.615 33 HB2 HIS 5 2HB HIS 5 -2.005 -48.949 -25.540 34 HB3 HIS 5 3HB HIS 5 -1.942 -47.229 -25.908 35 HD1 HIS 5 HD1 HIS 5 -1.806 -50.450 -27.505 36 HD2 HIS 5 HD2 HIS 5 -0.175 -46.700 -28.239 37 HE1 HIS 5 HE1 HIS 5 -1.155 -50.460 -29.928 38 HE2 HIS 5 HE2 HIS 5 -0.236 -48.163 -30.369 39 H HIS 6 H HIS 6 1.478 -46.900 -23.450 40 HA HIS 6 HA HIS 6 -0.046 -44.895 -22.314 41 HB2 HIS 6 2HB HIS 6 -0.592 -45.682 -20.072 42 HB3 HIS 6 3HB HIS 6 -1.405 -46.683 -21.268 43 HD1 HIS 6 HD1 HIS 6 0.108 -47.069 -18.175 44 HD2 HIS 6 HD2 HIS 6 0.527 -49.098 -21.777 45 HE1 HIS 6 HE1 HIS 6 1.066 -49.309 -17.574 46 HE2 HIS 6 HE2 HIS 6 1.419 -50.477 -19.773 47 H HIS 7 H HIS 7 1.516 -43.494 -21.835 48 HA HIS 7 HA HIS 7 4.108 -44.531 -20.857 49 HB2 HIS 7 2HB HIS 7 5.094 -42.454 -21.819 50 HB3 HIS 7 3HB HIS 7 4.323 -43.480 -23.021 51 HD1 HIS 7 HD1 HIS 7 2.735 -42.338 -24.544 52 HD2 HIS 7 HD2 HIS 7 3.345 -40.188 -21.046 53 HE1 HIS 7 HE1 HIS 7 1.515 -40.178 -24.865 54 HE2 HIS 7 HE2 HIS 7 1.702 -39.008 -22.649 55 H HIS 8 H HIS 8 5.380 -42.458 -19.838 56 HA HIS 8 HA HIS 8 3.610 -41.052 -17.964 57 HB2 HIS 8 2HB HIS 8 5.306 -41.491 -16.120 58 HB3 HIS 8 3HB HIS 8 4.315 -42.862 -16.599 59 HD1 HIS 8 HD1 HIS 8 7.852 -41.602 -16.680 60 HD2 HIS 8 HD2 HIS 8 5.702 -44.997 -17.754 61 HE1 HIS 8 HE1 HIS 8 9.568 -43.368 -17.149 62 HE2 HIS 8 HE2 HIS 8 8.254 -45.361 -17.930 63 H SER 9 H SER 9 3.956 -38.947 -18.207 64 HA SER 9 HA SER 9 6.566 -38.017 -19.225 65 HB2 SER 9 2HB SER 9 5.336 -35.954 -19.871 66 HB3 SER 9 3HB SER 9 4.640 -37.400 -20.598 67 HG SER 9 HG SER 9 3.654 -35.881 -18.413 68 H HIS 10 H HIS 10 7.072 -35.660 -18.512 69 HA HIS 10 HA HIS 10 6.450 -35.251 -15.663 70 HB2 HIS 10 2HB HIS 10 8.875 -34.598 -15.307 71 HB3 HIS 10 3HB HIS 10 8.575 -36.312 -15.556 72 HD1 HIS 10 HD1 HIS 10 9.375 -37.337 -17.828 73 HD2 HIS 10 HD2 HIS 10 10.483 -33.377 -17.232 74 HE1 HIS 10 HE1 HIS 10 11.126 -36.861 -19.553 75 HE2 HIS 10 HE2 HIS 10 11.891 -34.520 -19.073 76 H MET 11 H MET 11 5.098 -33.511 -16.126 77 HA MET 11 HA MET 11 6.175 -31.199 -17.562 78 HB2 MET 11 2HB MET 11 3.457 -31.625 -16.293 79 HB3 MET 11 3HB MET 11 3.918 -30.237 -17.266 80 HG2 MET 11 2HG MET 11 4.260 -31.733 -19.191 81 HG3 MET 11 3HG MET 11 3.720 -33.092 -18.204 82 HE1 MET 11 3HE MET 11 2.421 -32.393 -21.010 83 HE2 MET 11 1HE MET 11 0.702 -32.556 -20.652 84 HE3 MET 11 2HE MET 11 1.854 -33.720 -19.998 85 H SER 12 H SER 12 6.686 -29.239 -16.625 86 HA SER 12 HA SER 12 7.085 -29.269 -13.729 87 HB2 SER 12 2HB SER 12 8.956 -28.572 -15.155 88 HB3 SER 12 3HB SER 12 7.983 -27.255 -15.807 89 HG SER 12 HG SER 12 9.538 -26.967 -13.866 90 H THR 13 H THR 13 5.187 -27.564 -16.129 91 HA THR 13 HA THR 13 3.495 -26.076 -16.069 92 HB THR 13 HB THR 13 1.922 -26.038 -14.298 93 HG1 THR 13 HG1 THR 13 4.090 -26.376 -12.681 94 HG21 THR 13 3HG2 THR 13 2.020 -28.170 -15.489 95 HG22 THR 13 1HG2 THR 13 1.547 -28.412 -13.807 96 HG23 THR 13 2HG2 THR 13 3.192 -28.781 -14.322 97 HA PRO 14 HA PRO 14 5.264 -22.141 -15.107 98 HB2 PRO 14 2HB PRO 14 2.455 -21.199 -14.722 99 HB3 PRO 14 3HB PRO 14 3.726 -20.559 -15.772 100 HG2 PRO 14 2HG PRO 14 1.723 -21.976 -16.798 101 HG3 PRO 14 3HG PRO 14 3.377 -22.186 -17.402 102 HD2 PRO 14 2HD PRO 14 1.795 -23.939 -15.554 103 HD3 PRO 14 3HD PRO 14 2.906 -24.392 -16.863 104 H LEU 15 H LEU 15 5.394 -20.458 -13.437 105 HA LEU 15 HA LEU 15 4.400 -21.356 -10.810 106 HB2 LEU 15 2HB LEU 15 6.455 -20.422 -9.793 107 HB3 LEU 15 3HB LEU 15 6.742 -21.805 -10.824 108 HG LEU 15 HG LEU 15 7.149 -19.004 -11.864 109 HD11 LEU 15 1HD1 LEU 15 9.507 -19.168 -11.232 110 HD12 LEU 15 2HD1 LEU 15 9.184 -20.682 -10.383 111 HD13 LEU 15 3HD1 LEU 15 8.464 -19.175 -9.810 112 HD21 LEU 15 3HD2 LEU 15 8.331 -21.691 -12.600 113 HD22 LEU 15 1HD2 LEU 15 8.772 -20.148 -13.333 114 HD23 LEU 15 2HD2 LEU 15 7.141 -20.781 -13.529 115 H THR 16 H THR 16 4.394 -19.564 -9.149 116 HA THR 16 HA THR 16 2.618 -17.572 -10.128 117 HB THR 16 HB THR 16 2.573 -16.709 -7.808 118 HG1 THR 16 HG1 THR 16 3.838 -17.779 -6.217 119 HG21 THR 16 3HG2 THR 16 1.662 -18.730 -6.749 120 HG22 THR 16 1HG2 THR 16 2.399 -19.723 -8.006 121 HG23 THR 16 2HG2 THR 16 1.122 -18.579 -8.420 122 H GLY 17 H GLY 17 3.247 -15.840 -11.254 123 HA2 GLY 17 2HA GLY 17 5.731 -14.454 -10.890 124 HA3 GLY 17 3HA GLY 17 4.345 -13.888 -11.815 125 H LYS 18 H LYS 18 6.236 -12.883 -9.450 126 HA LYS 18 HA LYS 18 4.230 -11.362 -8.038 127 HB2 LYS 18 2HB LYS 18 4.800 -12.333 -5.806 128 HB3 LYS 18 3HB LYS 18 3.984 -13.470 -6.877 129 HG2 LYS 18 2HG LYS 18 6.309 -14.311 -7.505 130 HG3 LYS 18 3HG LYS 18 6.899 -13.385 -6.123 131 HD2 LYS 18 2HD LYS 18 5.555 -14.686 -4.607 132 HD3 LYS 18 3HD LYS 18 4.757 -15.514 -5.951 133 HE2 LYS 18 2HE LYS 18 7.671 -15.701 -5.167 134 HE3 LYS 18 3HE LYS 18 6.449 -16.963 -5.011 135 HZ1 LYS 18 3HZ LYS 18 7.813 -17.357 -6.947 136 HZ2 LYS 18 1HZ LYS 18 7.470 -15.817 -7.559 137 HZ3 LYS 18 2HZ LYS 18 6.242 -16.971 -7.446 138 HA PRO 19 HA PRO 19 7.918 -8.866 -7.270 139 HB2 PRO 19 2HB PRO 19 6.851 -7.038 -5.594 140 HB3 PRO 19 3HB PRO 19 6.473 -7.054 -7.321 141 HG2 PRO 19 2HG PRO 19 4.865 -8.115 -5.022 142 HG3 PRO 19 3HG PRO 19 4.323 -7.187 -6.434 143 HD2 PRO 19 2HD PRO 19 4.089 -9.910 -6.227 144 HD3 PRO 19 3HD PRO 19 4.232 -9.053 -7.777 145 H GLY 20 H GLY 20 9.512 -9.701 -6.004 146 HA2 GLY 20 2HA GLY 20 9.224 -11.195 -3.683 147 HA3 GLY 20 3HA GLY 20 10.691 -10.341 -4.128 148 H ALA 21 H ALA 21 9.617 -7.707 -3.980 149 HA ALA 21 HA ALA 21 8.577 -7.387 -1.269 150 HB1 ALA 21 3HB ALA 21 11.107 -6.014 -2.191 151 HB2 ALA 21 1HB ALA 21 11.019 -7.321 -1.010 152 HB3 ALA 21 2HB ALA 21 10.286 -5.759 -0.651 153 H LEU 22 H LEU 22 8.099 -4.973 -0.861 154 HA LEU 22 HA LEU 22 6.841 -3.881 -3.280 155 HB2 LEU 22 2HB LEU 22 6.391 -3.280 -0.349 156 HB3 LEU 22 3HB LEU 22 5.555 -2.468 -1.661 157 HG LEU 22 HG LEU 22 5.375 -5.420 -1.015 158 HD11 LEU 22 1HD1 LEU 22 3.072 -4.921 -0.364 159 HD12 LEU 22 2HD1 LEU 22 3.351 -3.206 -0.668 160 HD13 LEU 22 3HD1 LEU 22 4.224 -4.025 0.625 161 HD21 LEU 22 3HD2 LEU 22 3.976 -3.781 -3.133 162 HD22 LEU 22 1HD2 LEU 22 3.593 -5.452 -2.721 163 HD23 LEU 22 2HD2 LEU 22 5.168 -5.054 -3.404 164 HA PRO 23 HA PRO 23 9.644 -0.490 -3.744 165 HB2 PRO 23 2HB PRO 23 7.888 1.594 -4.240 166 HB3 PRO 23 3HB PRO 23 8.412 0.411 -5.443 167 HG2 PRO 23 2HG PRO 23 5.898 0.472 -3.814 168 HG3 PRO 23 3HG PRO 23 6.114 0.063 -5.528 169 HD2 PRO 23 2HD PRO 23 5.793 -1.849 -3.679 170 HD3 PRO 23 3HD PRO 23 6.901 -2.075 -5.048 171 H ALA 24 H ALA 24 10.657 1.027 -2.496 172 HA ALA 24 HA ALA 24 9.720 1.438 0.188 173 HB1 ALA 24 3HB ALA 24 11.807 2.675 0.502 174 HB2 ALA 24 1HB ALA 24 12.103 2.631 -1.237 175 HB3 ALA 24 2HB ALA 24 12.093 1.133 -0.305 176 H ASN 25 H ASN 25 9.477 3.238 -2.758 177 HA ASN 25 HA ASN 25 9.089 5.803 -1.446 178 HB2 ASN 25 2HB ASN 25 8.959 5.004 -4.362 179 HB3 ASN 25 3HB ASN 25 8.800 6.654 -3.770 180 HD21 ASN 25 1HD2 ASN 25 10.811 5.476 -5.538 181 HD22 ASN 25 2HD2 ASN 25 12.329 5.787 -4.781 182 H LEU 26 H LEU 26 7.097 3.781 -0.789 183 HA LEU 26 HA LEU 26 4.650 4.117 -2.084 184 HB2 LEU 26 2HB LEU 26 5.119 3.790 0.886 185 HB3 LEU 26 3HB LEU 26 3.601 3.502 0.059 186 HG LEU 26 HG LEU 26 6.150 1.919 -0.340 187 HD11 LEU 26 1HD1 LEU 26 4.945 0.106 0.760 188 HD12 LEU 26 2HD1 LEU 26 3.562 1.169 1.022 189 HD13 LEU 26 3HD1 LEU 26 5.097 1.503 1.825 190 HD21 LEU 26 3HD2 LEU 26 4.747 0.414 -1.690 191 HD22 LEU 26 1HD2 LEU 26 4.851 2.024 -2.399 192 HD23 LEU 26 2HD2 LEU 26 3.397 1.537 -1.531 193 H ASP 27 H ASP 27 6.333 6.245 0.122 194 HA ASP 27 HA ASP 27 4.261 8.073 0.683 195 HB2 ASP 27 2HB ASP 27 7.233 8.623 0.456 196 HB3 ASP 27 3HB ASP 27 6.052 9.600 1.327 197 H ASP 28 H ASP 28 6.501 7.806 -2.034 198 HA ASP 28 HA ASP 28 5.612 10.264 -3.278 199 HB2 ASP 28 2HB ASP 28 7.386 8.027 -4.291 200 HB3 ASP 28 3HB ASP 28 7.049 9.507 -5.185 201 H MET 29 H MET 29 4.697 6.927 -3.336 202 HA MET 29 HA MET 29 3.203 7.005 -5.775 203 HB2 MET 29 2HB MET 29 2.924 5.158 -3.390 204 HB3 MET 29 3HB MET 29 2.182 4.909 -4.964 205 HG2 MET 29 2HG MET 29 4.406 4.736 -5.982 206 HG3 MET 29 3HG MET 29 5.145 4.976 -4.399 207 HE1 MET 29 3HE MET 29 2.601 1.287 -5.525 208 HE2 MET 29 1HE MET 29 2.996 2.580 -6.657 209 HE3 MET 29 2HE MET 29 1.916 2.897 -5.300 210 H LYS 30 H LYS 30 1.270 7.909 -6.141 211 HA LYS 30 HA LYS 30 -0.021 9.420 -4.089 212 HB2 LYS 30 2HB LYS 30 -0.845 8.853 -6.949 213 HB3 LYS 30 3HB LYS 30 -1.648 10.007 -5.886 214 HG2 LYS 30 2HG LYS 30 0.321 11.372 -5.769 215 HG3 LYS 30 3HG LYS 30 1.268 10.161 -6.633 216 HD2 LYS 30 2HD LYS 30 0.687 11.964 -8.131 217 HD3 LYS 30 3HD LYS 30 -0.152 10.493 -8.615 218 HE2 LYS 30 2HE LYS 30 -2.200 11.287 -7.577 219 HE3 LYS 30 3HE LYS 30 -1.371 12.727 -6.988 220 HZ1 LYS 30 3HZ LYS 30 -1.001 13.415 -9.264 221 HZ2 LYS 30 1HZ LYS 30 -2.653 13.173 -8.993 222 HZ3 LYS 30 2HZ LYS 30 -1.757 12.020 -9.847 223 H VAL 31 H VAL 31 -2.522 9.322 -3.964 224 HA VAL 31 HA VAL 31 -3.173 7.093 -2.448 225 HB VAL 31 HB VAL 31 -5.129 8.924 -3.867 226 HG11 VAL 31 1HG1 VAL 31 -5.458 7.225 -1.387 227 HG12 VAL 31 2HG1 VAL 31 -6.224 6.954 -2.952 228 HG13 VAL 31 3HG1 VAL 31 -6.643 8.377 -2.001 229 HG21 VAL 31 3HG2 VAL 31 -3.521 10.234 -2.603 230 HG22 VAL 31 1HG2 VAL 31 -3.786 9.230 -1.174 231 HG23 VAL 31 2HG2 VAL 31 -5.085 10.254 -1.786 232 H ALA 32 H ALA 32 -4.093 7.776 -5.827 233 HA ALA 32 HA ALA 32 -5.652 5.478 -6.271 234 HB1 ALA 32 3HB ALA 32 -5.374 5.949 -8.640 235 HB2 ALA 32 1HB ALA 32 -4.029 7.034 -8.287 236 HB3 ALA 32 2HB ALA 32 -5.657 7.440 -7.745 237 H GLU 33 H GLU 33 -2.174 6.020 -6.683 238 HA GLU 33 HA GLU 33 -1.563 3.555 -7.930 239 HB2 GLU 33 2HB GLU 33 0.150 5.406 -6.254 240 HB3 GLU 33 3HB GLU 33 0.779 4.035 -7.159 241 HG2 GLU 33 2HG GLU 33 0.123 5.035 -9.245 242 HG3 GLU 33 3HG GLU 33 -0.704 6.344 -8.408 243 H LEU 34 H LEU 34 -1.446 4.558 -4.517 244 HA LEU 34 HA LEU 34 -0.577 2.092 -3.458 245 HB2 LEU 34 2HB LEU 34 -2.233 4.271 -2.178 246 HB3 LEU 34 3HB LEU 34 -1.463 2.957 -1.305 247 HG LEU 34 HG LEU 34 0.013 5.060 -2.908 248 HD11 LEU 34 1HD1 LEU 34 -1.069 6.005 -0.915 249 HD12 LEU 34 2HD1 LEU 34 0.688 5.994 -0.777 250 HD13 LEU 34 3HD1 LEU 34 -0.271 4.790 0.086 251 HD21 LEU 34 3HD2 LEU 34 1.206 2.935 -2.802 252 HD22 LEU 34 1HD2 LEU 34 1.025 2.907 -1.047 253 HD23 LEU 34 2HD2 LEU 34 2.008 4.155 -1.813 254 H LYS 35 H LYS 35 -3.886 3.436 -3.697 255 HA LYS 35 HA LYS 35 -5.358 1.293 -2.735 256 HB2 LYS 35 2HB LYS 35 -5.992 3.226 -4.978 257 HB3 LYS 35 3HB LYS 35 -7.168 2.094 -4.324 258 HG2 LYS 35 2HG LYS 35 -7.194 3.171 -2.221 259 HG3 LYS 35 3HG LYS 35 -5.742 4.101 -2.598 260 HD2 LYS 35 2HD LYS 35 -7.759 5.489 -2.732 261 HD3 LYS 35 3HD LYS 35 -6.958 5.359 -4.297 262 HE2 LYS 35 2HE LYS 35 -8.590 3.617 -4.950 263 HE3 LYS 35 3HE LYS 35 -9.407 3.830 -3.401 264 HZ1 LYS 35 3HZ LYS 35 -10.479 5.070 -5.194 265 HZ2 LYS 35 1HZ LYS 35 -9.058 5.946 -5.457 266 HZ3 LYS 35 2HZ LYS 35 -9.892 6.110 -3.996 267 H GLN 36 H GLN 36 -4.190 1.837 -6.037 268 HA GLN 36 HA GLN 36 -5.235 -0.445 -7.263 269 HB2 GLN 36 2HB GLN 36 -4.219 1.483 -8.439 270 HB3 GLN 36 3HB GLN 36 -2.636 1.013 -7.853 271 HG2 GLN 36 2HG GLN 36 -4.302 -0.797 -9.585 272 HG3 GLN 36 3HG GLN 36 -3.257 0.444 -10.264 273 HE21 GLN 36 1HE2 GLN 36 -1.188 0.063 -8.206 274 HE22 GLN 36 2HE2 GLN 36 -0.406 -1.420 -8.600 275 H GLU 37 H GLU 37 -2.049 0.007 -5.710 276 HA GLU 37 HA GLU 37 -1.113 -2.626 -6.057 277 HB2 GLU 37 2HB GLU 37 -0.415 -0.441 -4.102 278 HB3 GLU 37 3HB GLU 37 0.378 -2.009 -4.046 279 HG2 GLU 37 2HG GLU 37 0.339 -0.199 -6.457 280 HG3 GLU 37 3HG GLU 37 1.652 -0.288 -5.284 281 H LEU 38 H LEU 38 -3.088 -1.201 -3.504 282 HA LEU 38 HA LEU 38 -2.987 -3.394 -1.712 283 HB2 LEU 38 2HB LEU 38 -5.044 -1.223 -2.116 284 HB3 LEU 38 3HB LEU 38 -5.140 -2.404 -0.822 285 HG LEU 38 HG LEU 38 -2.878 -0.424 -1.189 286 HD11 LEU 38 1HD1 LEU 38 -3.833 0.705 0.773 287 HD12 LEU 38 2HD1 LEU 38 -5.213 -0.391 0.723 288 HD13 LEU 38 3HD1 LEU 38 -4.925 0.726 -0.611 289 HD21 LEU 38 3HD2 LEU 38 -2.169 -2.472 -0.057 290 HD22 LEU 38 1HD2 LEU 38 -3.501 -2.314 1.092 291 HD23 LEU 38 2HD2 LEU 38 -2.208 -1.112 1.065 292 H LYS 39 H LYS 39 -5.466 -2.467 -4.114 293 HA LYS 39 HA LYS 39 -7.175 -4.628 -3.527 294 HB2 LYS 39 2HB LYS 39 -8.453 -3.968 -5.455 295 HB3 LYS 39 3HB LYS 39 -7.900 -2.530 -4.611 296 HG2 LYS 39 2HG LYS 39 -6.042 -2.370 -6.297 297 HG3 LYS 39 3HG LYS 39 -6.854 -3.652 -7.200 298 HD2 LYS 39 2HD LYS 39 -7.982 -0.931 -6.500 299 HD3 LYS 39 3HD LYS 39 -7.498 -1.494 -8.100 300 HE2 LYS 39 2HE LYS 39 -9.274 -3.105 -8.145 301 HE3 LYS 39 3HE LYS 39 -9.677 -2.792 -6.459 302 HZ1 LYS 39 3HZ LYS 39 -10.317 -0.531 -7.094 303 HZ2 LYS 39 1HZ LYS 39 -11.233 -1.698 -7.910 304 HZ3 LYS 39 2HZ LYS 39 -9.986 -0.885 -8.713 305 H LEU 40 H LEU 40 -4.401 -4.441 -5.658 306 HA LEU 40 HA LEU 40 -4.792 -6.739 -7.214 307 HB2 LEU 40 2HB LEU 40 -2.238 -5.665 -6.000 308 HB3 LEU 40 3HB LEU 40 -2.291 -6.942 -7.200 309 HG LEU 40 HG LEU 40 -3.164 -4.076 -7.607 310 HD11 LEU 40 1HD1 LEU 40 -1.259 -3.987 -9.150 311 HD12 LEU 40 2HD1 LEU 40 -0.818 -5.635 -8.701 312 HD13 LEU 40 3HD1 LEU 40 -0.743 -4.343 -7.502 313 HD21 LEU 40 3HD2 LEU 40 -3.138 -6.396 -9.540 314 HD22 LEU 40 1HD2 LEU 40 -3.462 -4.714 -9.957 315 HD23 LEU 40 2HD2 LEU 40 -4.569 -5.587 -8.900 316 H ARG 41 H ARG 41 -3.730 -6.380 -3.892 317 HA ARG 41 HA ARG 41 -3.442 -9.303 -3.610 318 HB2 ARG 41 2HB ARG 41 -2.194 -6.995 -2.106 319 HB3 ARG 41 3HB ARG 41 -2.077 -8.664 -1.559 320 HG2 ARG 41 2HG ARG 41 -0.820 -9.307 -3.454 321 HG3 ARG 41 3HG ARG 41 -1.192 -7.812 -4.308 322 HD2 ARG 41 2HD ARG 41 0.394 -7.874 -1.746 323 HD3 ARG 41 3HD ARG 41 1.145 -8.016 -3.333 324 HE ARG 41 HE ARG 41 -0.198 -5.644 -2.260 325 HH11 ARG 41 1HH1 ARG 41 1.576 -7.137 -4.812 326 HH12 ARG 41 2HH1 ARG 41 2.105 -5.631 -5.470 327 HH21 ARG 41 1HH2 ARG 41 0.482 -3.712 -3.142 328 HH22 ARG 41 2HH2 ARG 41 1.501 -3.722 -4.540 329 H SER 42 H SER 42 -5.939 -7.644 -3.449 330 HA SER 42 HA SER 42 -7.928 -7.779 -2.355 331 HB2 SER 42 2HB SER 42 -6.575 -9.936 -0.711 332 HB3 SER 42 3HB SER 42 -8.306 -9.620 -0.761 333 HG SER 42 HG SER 42 -6.815 -11.096 -2.432 334 H LEU 43 H LEU 43 -5.530 -6.184 -1.191 335 HA LEU 43 HA LEU 43 -6.195 -5.924 1.607 336 HB2 LEU 43 2HB LEU 43 -4.392 -4.356 -0.238 337 HB3 LEU 43 3HB LEU 43 -4.595 -3.961 1.460 338 HG LEU 43 HG LEU 43 -3.614 -6.658 0.513 339 HD11 LEU 43 1HD1 LEU 43 -1.355 -5.894 1.038 340 HD12 LEU 43 2HD1 LEU 43 -1.968 -4.277 1.385 341 HD13 LEU 43 3HD1 LEU 43 -2.059 -4.923 -0.253 342 HD21 LEU 43 3HD2 LEU 43 -3.508 -5.258 3.191 343 HD22 LEU 43 1HD2 LEU 43 -2.802 -6.834 2.828 344 HD23 LEU 43 2HD2 LEU 43 -4.552 -6.617 2.763 345 HA PRO 44 HA PRO 44 -9.521 -3.024 1.122 346 HB2 PRO 44 2HB PRO 44 -9.413 -1.756 3.545 347 HB3 PRO 44 3HB PRO 44 -10.072 -3.380 3.326 348 HG2 PRO 44 2HG PRO 44 -7.351 -2.552 4.267 349 HG3 PRO 44 3HG PRO 44 -8.418 -3.814 4.912 350 HD2 PRO 44 2HD PRO 44 -6.331 -4.400 3.301 351 HD3 PRO 44 3HD PRO 44 -7.845 -5.328 3.244 352 H VAL 45 H VAL 45 -9.562 -1.194 -0.004 353 HA VAL 45 HA VAL 45 -7.248 0.606 0.052 354 HB VAL 45 HB VAL 45 -8.113 1.522 -2.026 355 HG11 VAL 45 1HG1 VAL 45 -8.224 -1.497 -2.022 356 HG12 VAL 45 2HG1 VAL 45 -6.769 -0.512 -2.166 357 HG13 VAL 45 3HG1 VAL 45 -7.988 -0.477 -3.442 358 HG21 VAL 45 3HG2 VAL 45 -10.497 1.451 -1.527 359 HG22 VAL 45 1HG2 VAL 45 -10.479 -0.311 -1.612 360 HG23 VAL 45 2HG2 VAL 45 -10.166 0.648 -3.060 361 H SER 46 H SER 46 -10.257 0.436 1.487 362 HA SER 46 HA SER 46 -11.048 3.193 1.297 363 HB2 SER 46 2HB SER 46 -12.023 1.034 3.191 364 HB3 SER 46 3HB SER 46 -12.807 2.589 2.901 365 HG SER 46 HG SER 46 -13.816 1.073 1.628 366 H GLY 47 H GLY 47 -8.890 4.015 2.010 367 HA2 GLY 47 2HA GLY 47 -9.155 4.971 4.713 368 HA3 GLY 47 3HA GLY 47 -7.792 3.879 4.517 369 H THR 48 H THR 48 -7.047 6.245 5.347 370 HA THR 48 HA THR 48 -6.619 8.205 3.294 371 HB THR 48 HB THR 48 -5.196 9.361 4.857 372 HG1 THR 48 HG1 THR 48 -4.847 8.133 6.977 373 HG21 THR 48 3HG2 THR 48 -6.640 9.505 6.851 374 HG22 THR 48 1HG2 THR 48 -7.475 8.032 6.346 375 HG23 THR 48 2HG2 THR 48 -7.583 9.493 5.361 376 H LYS 49 H LYS 49 -4.508 8.840 2.419 377 HA LYS 49 HA LYS 49 -2.996 6.874 1.227 378 HB2 LYS 49 2HB LYS 49 -2.876 9.272 0.639 379 HB3 LYS 49 3HB LYS 49 -1.994 9.589 2.129 380 HG2 LYS 49 2HG LYS 49 -0.180 8.105 1.337 381 HG3 LYS 49 3HG LYS 49 -1.057 7.884 -0.179 382 HD2 LYS 49 2HD LYS 49 -0.906 10.304 -0.607 383 HD3 LYS 49 3HD LYS 49 -0.012 10.510 0.901 384 HE2 LYS 49 2HE LYS 49 1.750 9.010 0.023 385 HE3 LYS 49 3HE LYS 49 0.868 8.900 -1.499 386 HZ1 LYS 49 3HZ LYS 49 1.131 11.287 -1.775 387 HZ2 LYS 49 1HZ LYS 49 2.637 10.532 -1.619 388 HZ3 LYS 49 2HZ LYS 49 1.976 11.382 -0.317 389 H THR 50 H THR 50 -2.565 8.294 4.417 390 HA THR 50 HA THR 50 -0.126 7.162 5.171 391 HB THR 50 HB THR 50 -2.486 7.533 7.036 392 HG1 THR 50 HG1 THR 50 -0.607 9.592 6.643 393 HG21 THR 50 3HG2 THR 50 -0.762 8.025 8.703 394 HG22 THR 50 1HG2 THR 50 0.499 7.774 7.496 395 HG23 THR 50 2HG2 THR 50 -0.516 6.423 8.009 396 H GLU 51 H GLU 51 -3.427 5.921 5.765 397 HA GLU 51 HA GLU 51 -2.726 3.470 6.919 398 HB2 GLU 51 2HB GLU 51 -5.160 4.223 5.286 399 HB3 GLU 51 3HB GLU 51 -5.009 2.720 6.188 400 HG2 GLU 51 2HG GLU 51 -4.879 3.921 8.271 401 HG3 GLU 51 3HG GLU 51 -4.859 5.465 7.420 402 H LEU 52 H LEU 52 -3.184 4.343 3.521 403 HA LEU 52 HA LEU 52 -3.045 1.766 2.410 404 HB2 LEU 52 2HB LEU 52 -1.990 4.262 1.083 405 HB3 LEU 52 3HB LEU 52 -2.641 2.831 0.308 406 HG LEU 52 HG LEU 52 -4.186 4.906 1.868 407 HD11 LEU 52 1HD1 LEU 52 -3.572 5.634 -0.360 408 HD12 LEU 52 2HD1 LEU 52 -5.307 5.323 -0.271 409 HD13 LEU 52 3HD1 LEU 52 -4.240 4.153 -1.053 410 HD21 LEU 52 3HD2 LEU 52 -5.231 2.391 0.564 411 HD22 LEU 52 1HD2 LEU 52 -6.202 3.657 1.318 412 HD23 LEU 52 2HD2 LEU 52 -5.111 2.679 2.300 413 H ILE 53 H ILE 53 -0.469 4.127 3.074 414 HA ILE 53 HA ILE 53 1.697 2.582 2.099 415 HB ILE 53 HB ILE 53 1.684 4.734 4.233 416 HG12 ILE 53 2HG1 ILE 53 2.348 4.892 1.279 417 HG13 ILE 53 3HG1 ILE 53 0.848 5.452 2.008 418 HG21 ILE 53 1HG2 ILE 53 4.092 4.959 3.779 419 HG22 ILE 53 2HG2 ILE 53 4.015 3.576 2.689 420 HG23 ILE 53 3HG2 ILE 53 3.697 3.362 4.412 421 HD11 ILE 53 3HD1 ILE 53 2.096 7.105 3.300 422 HD12 ILE 53 1HD1 ILE 53 2.361 7.295 1.567 423 HD13 ILE 53 2HD1 ILE 53 3.599 6.540 2.570 424 H GLU 54 H GLU 54 0.505 3.059 5.440 425 HA GLU 54 HA GLU 54 2.259 1.341 6.766 426 HB2 GLU 54 2HB GLU 54 -0.649 1.862 7.451 427 HB3 GLU 54 3HB GLU 54 0.563 1.209 8.546 428 HG2 GLU 54 2HG GLU 54 1.824 3.321 8.366 429 HG3 GLU 54 3HG GLU 54 0.545 3.971 7.339 430 H ARG 55 H ARG 55 -0.814 0.650 5.186 431 HA ARG 55 HA ARG 55 -1.100 -2.021 6.042 432 HB2 ARG 55 2HB ARG 55 -2.913 -0.578 5.178 433 HB3 ARG 55 3HB ARG 55 -2.218 -0.691 3.569 434 HG2 ARG 55 2HG ARG 55 -2.835 -2.922 3.319 435 HG3 ARG 55 3HG ARG 55 -3.030 -3.162 5.061 436 HD2 ARG 55 2HD ARG 55 -4.784 -1.415 3.322 437 HD3 ARG 55 3HD ARG 55 -5.200 -3.034 3.896 438 HE ARG 55 HE ARG 55 -4.804 -1.925 6.208 439 HH11 ARG 55 1HH1 ARG 55 -6.335 -0.433 3.487 440 HH12 ARG 55 2HH1 ARG 55 -7.250 0.645 4.485 441 HH21 ARG 55 1HH2 ARG 55 -5.983 -0.536 7.436 442 HH22 ARG 55 2HH2 ARG 55 -7.066 0.580 6.675 443 H LEU 56 H LEU 56 0.257 -0.678 3.010 444 HA LEU 56 HA LEU 56 0.905 -3.158 1.826 445 HB2 LEU 56 2HB LEU 56 2.023 -0.384 1.491 446 HB3 LEU 56 3HB LEU 56 2.694 -1.744 0.610 447 HG LEU 56 HG LEU 56 -0.196 -0.855 0.447 448 HD11 LEU 56 1HD1 LEU 56 2.074 -0.414 -1.499 449 HD12 LEU 56 2HD1 LEU 56 1.294 0.822 -0.515 450 HD13 LEU 56 3HD1 LEU 56 0.381 -0.005 -1.774 451 HD21 LEU 56 3HD2 LEU 56 0.110 -3.243 0.000 452 HD22 LEU 56 1HD2 LEU 56 1.362 -2.875 -1.185 453 HD23 LEU 56 2HD2 LEU 56 -0.303 -2.377 -1.476 454 H ARG 57 H ARG 57 2.899 -0.995 3.859 455 HA ARG 57 HA ARG 57 5.223 -2.555 3.945 456 HB2 ARG 57 2HB ARG 57 4.046 -0.733 6.056 457 HB3 ARG 57 3HB ARG 57 5.662 -1.418 6.144 458 HG2 ARG 57 2HG ARG 57 6.261 -0.244 4.067 459 HG3 ARG 57 3HG ARG 57 4.647 0.469 4.020 460 HD2 ARG 57 2HD ARG 57 5.059 1.564 6.173 461 HD3 ARG 57 3HD ARG 57 6.657 0.827 6.251 462 HE ARG 57 HE ARG 57 6.337 2.377 3.885 463 HH11 ARG 57 1HH1 ARG 57 6.999 2.590 7.261 464 HH12 ARG 57 2HH1 ARG 57 7.805 4.112 7.115 465 HH21 ARG 57 1HH2 ARG 57 7.356 4.347 3.725 466 HH22 ARG 57 2HH2 ARG 57 7.981 5.108 5.142 467 H ALA 58 H ALA 58 2.461 -2.547 6.204 468 HA ALA 58 HA ALA 58 3.387 -4.558 7.930 469 HB1 ALA 58 3HB ALA 58 0.532 -3.793 7.324 470 HB2 ALA 58 1HB ALA 58 1.580 -3.016 8.509 471 HB3 ALA 58 2HB ALA 58 1.089 -4.697 8.734 472 H TYR 59 H TYR 59 1.449 -4.788 4.966 473 HA TYR 59 HA TYR 59 0.859 -7.559 5.202 474 HB2 TYR 59 2HB TYR 59 -0.422 -6.009 3.751 475 HB3 TYR 59 3HB TYR 59 0.979 -5.863 2.692 476 HD1 TYR 59 HD2 TYR 59 -1.288 -8.461 4.147 477 HD2 TYR 59 HD1 TYR 59 1.141 -7.298 0.847 478 HE1 TYR 59 HE2 TYR 59 -2.051 -10.432 2.895 479 HE2 TYR 59 HE1 TYR 59 0.385 -9.274 -0.407 480 HH TYR 59 HH TYR 59 -2.254 -11.199 0.617 481 H GLN 60 H GLN 60 3.417 -5.801 3.433 482 HA GLN 60 HA GLN 60 4.660 -8.099 2.325 483 HB2 GLN 60 2HB GLN 60 4.979 -5.439 1.952 484 HB3 GLN 60 3HB GLN 60 6.342 -5.732 3.018 485 HG2 GLN 60 2HG GLN 60 5.822 -7.033 0.349 486 HG3 GLN 60 3HG GLN 60 7.047 -5.823 0.710 487 HE21 GLN 60 1HE2 GLN 60 8.886 -6.445 1.898 488 HE22 GLN 60 2HE2 GLN 60 9.333 -8.107 2.041 489 H ASP 61 H ASP 61 5.141 -6.304 5.319 490 HA ASP 61 HA ASP 61 7.445 -7.566 6.272 491 HB2 ASP 61 2HB ASP 61 6.521 -5.461 7.161 492 HB3 ASP 61 3HB ASP 61 5.149 -6.341 7.824 493 H GLN 62 H GLN 62 4.087 -8.628 6.358 494 HA GLN 62 HA GLN 62 4.718 -10.761 8.259 495 HB2 GLN 62 2HB GLN 62 2.306 -11.241 8.241 496 HB3 GLN 62 3HB GLN 62 2.649 -9.563 8.637 497 HG2 GLN 62 2HG GLN 62 2.117 -8.940 6.306 498 HG3 GLN 62 3HG GLN 62 1.688 -10.619 5.983 499 HE21 GLN 62 1HE2 GLN 62 0.799 -7.717 7.688 500 HE22 GLN 62 2HE2 GLN 62 -0.832 -8.179 8.022 501 H ILE 63 H ILE 63 5.069 -10.451 5.003 502 HA ILE 63 HA ILE 63 4.775 -13.374 4.630 503 HB ILE 63 HB ILE 63 4.428 -13.020 2.232 504 HG12 ILE 63 2HG1 ILE 63 4.395 -10.063 2.913 505 HG13 ILE 63 3HG1 ILE 63 5.647 -10.889 1.994 506 HG21 ILE 63 1HG2 ILE 63 2.481 -11.450 3.931 507 HG22 ILE 63 2HG2 ILE 63 2.478 -13.198 3.690 508 HG23 ILE 63 3HG2 ILE 63 2.148 -12.120 2.333 509 HD11 ILE 63 3HD1 ILE 63 2.775 -10.541 1.166 510 HD12 ILE 63 1HD1 ILE 63 4.013 -11.395 0.245 511 HD13 ILE 63 2HD1 ILE 63 4.166 -9.662 0.533 512 H SER 64 H SER 64 6.954 -10.926 4.992 513 HA SER 64 HA SER 64 9.050 -12.302 3.419 514 HB2 SER 64 2HB SER 64 8.740 -10.001 2.679 515 HB3 SER 64 3HB SER 64 8.884 -9.414 4.334 516 HG SER 64 HG SER 64 11.028 -9.828 4.318 517 HA PRO 65 HA PRO 65 11.085 -13.427 7.231 518 HB2 PRO 65 2HB PRO 65 13.719 -13.236 6.441 519 HB3 PRO 65 3HB PRO 65 12.668 -14.605 6.068 520 HG2 PRO 65 2HG PRO 65 13.374 -12.245 4.357 521 HG3 PRO 65 3HG PRO 65 13.275 -13.960 3.914 522 HD2 PRO 65 2HD PRO 65 11.296 -12.250 3.315 523 HD3 PRO 65 3HD PRO 65 10.949 -13.924 3.802 524 H VAL 66 H VAL 66 11.821 -12.407 9.035 525 HA VAL 66 HA VAL 66 11.794 -9.603 9.196 526 HB VAL 66 HB VAL 66 12.570 -9.874 11.509 527 HG11 VAL 66 1HG1 VAL 66 10.217 -10.266 11.016 528 HG12 VAL 66 2HG1 VAL 66 10.760 -11.322 12.321 529 HG13 VAL 66 3HG1 VAL 66 10.550 -11.968 10.691 530 HG21 VAL 66 3HG2 VAL 66 14.270 -11.592 11.176 531 HG22 VAL 66 1HG2 VAL 66 13.024 -12.774 10.766 532 HG23 VAL 66 2HG2 VAL 66 13.110 -12.111 12.399 533 HA PRO 67 HA PRO 67 15.854 -8.007 8.229 534 HB2 PRO 67 2HB PRO 67 15.836 -6.914 11.023 535 HB3 PRO 67 3HB PRO 67 16.221 -6.101 9.500 536 HG2 PRO 67 2HG PRO 67 13.865 -5.710 10.657 537 HG3 PRO 67 3HG PRO 67 13.981 -5.888 8.895 538 HD2 PRO 67 2HD PRO 67 13.006 -7.839 10.939 539 HD3 PRO 67 3HD PRO 67 12.450 -7.575 9.274 540 H GLY 68 H GLY 68 15.476 -9.534 11.416 541 HA2 GLY 68 2HA GLY 68 18.194 -10.032 11.962 542 HA3 GLY 68 3HA GLY 68 16.841 -10.931 12.626 543 H ALA 69 H ALA 69 16.057 -11.609 9.743 544 HA ALA 69 HA ALA 69 17.726 -13.983 9.505 545 HB1 ALA 69 3HB ALA 69 16.110 -14.704 7.824 546 HB2 ALA 69 1HB ALA 69 15.326 -13.124 7.881 547 HB3 ALA 69 2HB ALA 69 15.288 -14.178 9.294 548 HA PRO 70 HA PRO 70 20.433 -12.194 6.465 549 HB2 PRO 70 2HB PRO 70 20.872 -14.955 5.488 550 HB3 PRO 70 3HB PRO 70 22.025 -13.803 6.171 551 HG2 PRO 70 2HG PRO 70 21.214 -15.952 7.558 552 HG3 PRO 70 3HG PRO 70 21.520 -14.399 8.359 553 HD2 PRO 70 2HD PRO 70 18.900 -15.631 7.559 554 HD3 PRO 70 3HD PRO 70 19.335 -14.789 9.064 555 H LYS 71 H LYS 71 18.838 -11.164 5.159 556 HA LYS 71 HA LYS 71 17.528 -12.595 3.020 557 HB2 LYS 71 2HB LYS 71 16.428 -10.687 4.077 558 HB3 LYS 71 3HB LYS 71 17.753 -9.633 3.615 559 HG2 LYS 71 2HG LYS 71 15.891 -9.229 2.164 560 HG3 LYS 71 3HG LYS 71 17.175 -9.995 1.235 561 HD2 LYS 71 2HD LYS 71 15.130 -11.800 2.425 562 HD3 LYS 71 3HD LYS 71 14.594 -10.760 1.108 563 HE2 LYS 71 2HE LYS 71 16.403 -11.632 -0.308 564 HE3 LYS 71 3HE LYS 71 16.923 -12.682 1.008 565 HZ1 LYS 71 3HZ LYS 71 14.816 -13.826 0.900 566 HZ2 LYS 71 1HZ LYS 71 15.551 -13.843 -0.622 567 HZ3 LYS 71 2HZ LYS 71 14.267 -12.788 -0.314 568 H ALA 72 H ALA 72 18.673 -13.282 1.313 569 HA ALA 72 HA ALA 72 21.142 -12.138 0.470 570 HB1 ALA 72 3HB ALA 72 20.986 -13.718 -1.399 571 HB2 ALA 72 1HB ALA 72 19.321 -14.080 -0.952 572 HB3 ALA 72 2HB ALA 72 20.640 -14.496 0.144 573 HA PRO 73 HA PRO 73 19.346 -8.818 -1.952 574 HB2 PRO 73 2HB PRO 73 21.637 -7.832 -2.998 575 HB3 PRO 73 3HB PRO 73 21.194 -7.599 -1.302 576 HG2 PRO 73 2HG PRO 73 23.059 -9.619 -2.508 577 HG3 PRO 73 3HG PRO 73 23.292 -8.607 -1.069 578 HD2 PRO 73 2HD PRO 73 22.523 -11.208 -0.918 579 HD3 PRO 73 3HD PRO 73 21.995 -9.988 0.260 580 H ALA 74 H ALA 74 18.908 -8.296 -4.121 581 HA ALA 74 HA ALA 74 19.380 -10.456 -6.033 582 HB1 ALA 74 3HB ALA 74 17.094 -9.630 -5.718 583 HB2 ALA 74 1HB ALA 74 17.647 -9.388 -7.375 584 HB3 ALA 74 2HB ALA 74 17.598 -8.026 -6.253 585 H ALA 75 H ALA 75 21.159 -10.335 -7.249 586 HA ALA 75 HA ALA 75 22.331 -7.750 -7.956 587 HB1 ALA 75 3HB ALA 75 23.779 -9.518 -7.061 588 HB2 ALA 75 1HB ALA 75 24.262 -9.032 -8.687 589 HB3 ALA 75 2HB ALA 75 23.379 -10.540 -8.443 Start of MODEL 19 1 H1 MET 1 1H MET 1 1.550 -28.395 -57.977 2 H2 MET 1 2H MET 1 1.396 -28.682 -59.633 3 H3 MET 1 3H MET 1 0.548 -27.405 -58.916 4 HA MET 1 HA MET 1 3.498 -27.624 -59.139 5 HB2 MET 1 2HB MET 1 1.571 -25.771 -60.571 6 HB3 MET 1 3HB MET 1 3.324 -25.746 -60.724 7 HG2 MET 1 2HG MET 1 1.491 -27.982 -61.559 8 HG3 MET 1 3HG MET 1 2.307 -26.842 -62.629 9 HE1 MET 1 3HE MET 1 4.150 -30.254 -63.315 10 HE2 MET 1 1HE MET 1 3.233 -28.934 -64.036 11 HE3 MET 1 2HE MET 1 2.444 -30.052 -62.925 12 H GLY 2 H GLY 2 3.966 -27.056 -57.020 13 HA2 GLY 2 2HA GLY 2 3.472 -24.280 -56.285 14 HA3 GLY 2 3HA GLY 2 2.723 -25.474 -55.240 15 H HIS 3 H HIS 3 5.662 -23.919 -56.168 16 HA HIS 3 HA HIS 3 6.912 -24.867 -53.702 17 HB2 HIS 3 2HB HIS 3 7.705 -26.421 -55.481 18 HB3 HIS 3 3HB HIS 3 8.349 -25.043 -56.369 19 HD1 HIS 3 HD1 HIS 3 10.698 -24.400 -55.836 20 HD2 HIS 3 HD2 HIS 3 9.025 -26.787 -52.877 21 HE1 HIS 3 HE1 HIS 3 12.560 -24.880 -54.229 22 HE2 HIS 3 HE2 HIS 3 11.483 -26.176 -52.367 23 H HIS 4 H HIS 4 7.103 -22.922 -52.701 24 HA HIS 4 HA HIS 4 8.511 -20.757 -54.130 25 HB2 HIS 4 2HB HIS 4 5.976 -20.465 -52.495 26 HB3 HIS 4 3HB HIS 4 6.958 -19.112 -53.043 27 HD1 HIS 4 HD1 HIS 4 6.882 -18.535 -55.567 28 HD2 HIS 4 HD2 HIS 4 4.368 -21.653 -54.460 29 HE1 HIS 4 HE1 HIS 4 5.353 -18.892 -57.521 30 HE2 HIS 4 HE2 HIS 4 3.968 -20.896 -56.904 31 H HIS 5 H HIS 5 8.930 -18.893 -52.440 32 HA HIS 5 HA HIS 5 9.986 -20.087 -49.947 33 HB2 HIS 5 2HB HIS 5 11.230 -17.851 -51.581 34 HB3 HIS 5 3HB HIS 5 11.878 -18.527 -50.090 35 HD1 HIS 5 HD1 HIS 5 11.759 -19.039 -53.739 36 HD2 HIS 5 HD2 HIS 5 12.935 -21.189 -50.382 37 HE1 HIS 5 HE1 HIS 5 13.127 -20.952 -54.611 38 HE2 HIS 5 HE2 HIS 5 13.749 -22.293 -52.576 39 H HIS 6 H HIS 6 9.610 -18.978 -48.054 40 HA HIS 6 HA HIS 6 8.846 -16.250 -47.898 41 HB2 HIS 6 2HB HIS 6 6.772 -17.068 -48.943 42 HB3 HIS 6 3HB HIS 6 6.578 -18.250 -47.654 43 HD1 HIS 6 HD1 HIS 6 6.582 -14.497 -48.168 44 HD2 HIS 6 HD2 HIS 6 5.216 -17.341 -45.466 45 HE1 HIS 6 HE1 HIS 6 5.165 -13.238 -46.531 46 HE2 HIS 6 HE2 HIS 6 4.207 -15.005 -45.024 47 H HIS 7 H HIS 7 9.091 -15.514 -45.825 48 HA HIS 7 HA HIS 7 8.477 -17.208 -43.563 49 HB2 HIS 7 2HB HIS 7 10.706 -17.121 -42.532 50 HB3 HIS 7 3HB HIS 7 10.744 -17.988 -44.062 51 HD1 HIS 7 HD1 HIS 7 12.278 -17.093 -45.865 52 HD2 HIS 7 HD2 HIS 7 11.984 -14.548 -42.597 53 HE1 HIS 7 HE1 HIS 7 14.053 -15.358 -46.202 54 HE2 HIS 7 HE2 HIS 7 13.978 -13.948 -44.124 55 H HIS 8 H HIS 8 7.832 -16.036 -41.834 56 HA HIS 8 HA HIS 8 9.035 -13.615 -41.003 57 HB2 HIS 8 2HB HIS 8 7.762 -12.658 -42.899 58 HB3 HIS 8 3HB HIS 8 6.268 -13.291 -42.210 59 HD1 HIS 8 HD1 HIS 8 8.833 -10.605 -41.736 60 HD2 HIS 8 HD2 HIS 8 5.252 -11.833 -40.030 61 HE1 HIS 8 HE1 HIS 8 8.154 -8.751 -40.199 62 HE2 HIS 8 HE2 HIS 8 6.132 -9.630 -38.998 63 H SER 9 H SER 9 8.942 -13.893 -38.863 64 HA SER 9 HA SER 9 6.422 -14.203 -37.509 65 HB2 SER 9 2HB SER 9 6.848 -16.551 -38.089 66 HB3 SER 9 3HB SER 9 8.431 -16.467 -37.317 67 HG SER 9 HG SER 9 6.792 -17.381 -35.967 68 H HIS 10 H HIS 10 6.471 -13.459 -35.463 69 HA HIS 10 HA HIS 10 9.020 -13.302 -34.016 70 HB2 HIS 10 2HB HIS 10 7.109 -10.987 -34.411 71 HB3 HIS 10 3HB HIS 10 8.362 -11.007 -33.175 72 HD1 HIS 10 HD1 HIS 10 7.777 -10.101 -36.643 73 HD2 HIS 10 HD2 HIS 10 11.056 -11.178 -34.328 74 HE1 HIS 10 HE1 HIS 10 9.792 -9.361 -37.943 75 HE2 HIS 10 HE2 HIS 10 11.748 -9.873 -36.450 76 H MET 11 H MET 11 8.309 -15.027 -32.751 77 HA MET 11 HA MET 11 5.729 -14.940 -31.454 78 HB2 MET 11 2HB MET 11 8.015 -16.907 -31.170 79 HB3 MET 11 3HB MET 11 6.410 -17.105 -30.474 80 HG2 MET 11 2HG MET 11 5.427 -17.139 -32.699 81 HG3 MET 11 3HG MET 11 7.018 -16.899 -33.419 82 HE1 MET 11 3HE MET 11 6.195 -20.604 -34.387 83 HE2 MET 11 1HE MET 11 6.622 -19.001 -34.983 84 HE3 MET 11 2HE MET 11 5.037 -19.282 -34.264 85 H SER 12 H SER 12 5.280 -14.422 -29.372 86 HA SER 12 HA SER 12 7.414 -13.059 -27.888 87 HB2 SER 12 2HB SER 12 5.374 -11.770 -28.376 88 HB3 SER 12 3HB SER 12 4.406 -12.962 -27.510 89 HG SER 12 HG SER 12 4.802 -11.313 -26.101 90 H THR 13 H THR 13 7.471 -13.215 -25.536 91 HA THR 13 HA THR 13 6.677 -15.883 -24.526 92 HB THR 13 HB THR 13 8.650 -15.847 -23.060 93 HG1 THR 13 HG1 THR 13 8.914 -13.581 -22.859 94 HG21 THR 13 3HG2 THR 13 9.376 -15.320 -25.952 95 HG22 THR 13 1HG2 THR 13 8.864 -16.872 -25.285 96 HG23 THR 13 2HG2 THR 13 10.384 -16.147 -24.765 97 HA PRO 14 HA PRO 14 4.390 -13.453 -21.487 98 HB2 PRO 14 2HB PRO 14 4.003 -16.039 -20.118 99 HB3 PRO 14 3HB PRO 14 2.802 -14.940 -20.799 100 HG2 PRO 14 2HG PRO 14 3.366 -17.303 -21.951 101 HG3 PRO 14 3HG PRO 14 2.949 -15.868 -22.911 102 HD2 PRO 14 2HD PRO 14 5.658 -17.052 -22.354 103 HD3 PRO 14 3HD PRO 14 4.997 -16.421 -23.881 104 H LEU 15 H LEU 15 6.609 -12.622 -20.860 105 HA LEU 15 HA LEU 15 8.113 -13.800 -18.791 106 HB2 LEU 15 2HB LEU 15 9.211 -11.692 -18.519 107 HB3 LEU 15 3HB LEU 15 8.927 -11.940 -20.228 108 HG LEU 15 HG LEU 15 7.250 -10.140 -18.462 109 HD11 LEU 15 1HD1 LEU 15 8.404 -8.282 -19.566 110 HD12 LEU 15 2HD1 LEU 15 9.460 -9.427 -20.389 111 HD13 LEU 15 3HD1 LEU 15 9.516 -9.282 -18.635 112 HD21 LEU 15 3HD2 LEU 15 6.431 -9.230 -20.607 113 HD22 LEU 15 1HD2 LEU 15 6.002 -10.927 -20.383 114 HD23 LEU 15 2HD2 LEU 15 7.327 -10.488 -21.464 115 H THR 16 H THR 16 7.881 -13.867 -16.601 116 HA THR 16 HA THR 16 5.344 -13.230 -15.470 117 HB THR 16 HB THR 16 6.251 -14.014 -13.337 118 HG1 THR 16 HG1 THR 16 8.731 -14.745 -14.250 119 HG21 THR 16 3HG2 THR 16 5.546 -15.718 -14.942 120 HG22 THR 16 1HG2 THR 16 6.934 -16.286 -14.011 121 HG23 THR 16 2HG2 THR 16 7.155 -15.719 -15.666 122 H GLY 17 H GLY 17 8.532 -12.112 -14.278 123 HA2 GLY 17 2HA GLY 17 9.143 -10.143 -13.236 124 HA3 GLY 17 3HA GLY 17 8.387 -9.428 -14.647 125 H LYS 18 H LYS 18 7.095 -11.024 -11.703 126 HA LYS 18 HA LYS 18 5.142 -8.851 -11.472 127 HB2 LYS 18 2HB LYS 18 4.001 -10.299 -9.839 128 HB3 LYS 18 3HB LYS 18 4.266 -11.123 -11.369 129 HG2 LYS 18 2HG LYS 18 6.196 -12.294 -10.386 130 HG3 LYS 18 3HG LYS 18 5.879 -11.493 -8.846 131 HD2 LYS 18 2HD LYS 18 3.658 -12.551 -8.761 132 HD3 LYS 18 3HD LYS 18 3.987 -13.357 -10.296 133 HE2 LYS 18 2HE LYS 18 4.378 -14.909 -8.499 134 HE3 LYS 18 3HE LYS 18 5.923 -14.491 -9.235 135 HZ1 LYS 18 3HZ LYS 18 6.176 -12.827 -7.398 136 HZ2 LYS 18 1HZ LYS 18 6.221 -14.446 -6.910 137 HZ3 LYS 18 2HZ LYS 18 4.829 -13.523 -6.659 138 HA PRO 19 HA PRO 19 7.064 -6.491 -8.271 139 HB2 PRO 19 2HB PRO 19 4.459 -6.810 -6.818 140 HB3 PRO 19 3HB PRO 19 5.403 -5.347 -7.129 141 HG2 PRO 19 2HG PRO 19 3.243 -5.867 -8.577 142 HG3 PRO 19 3HG PRO 19 4.698 -5.204 -9.344 143 HD2 PRO 19 2HD PRO 19 3.618 -7.988 -9.418 144 HD3 PRO 19 3HD PRO 19 4.477 -7.074 -10.676 145 H GLY 20 H GLY 20 8.623 -7.570 -7.153 146 HA2 GLY 20 2HA GLY 20 7.897 -9.830 -5.426 147 HA3 GLY 20 3HA GLY 20 9.521 -9.368 -5.912 148 H ALA 21 H ALA 21 8.271 -6.525 -5.026 149 HA ALA 21 HA ALA 21 8.219 -6.758 -2.155 150 HB1 ALA 21 3HB ALA 21 10.606 -5.408 -3.430 151 HB2 ALA 21 1HB ALA 21 10.631 -6.921 -2.525 152 HB3 ALA 21 2HB ALA 21 10.220 -5.413 -1.709 153 H LEU 22 H LEU 22 8.174 -4.496 -1.124 154 HA LEU 22 HA LEU 22 6.368 -2.822 -2.623 155 HB2 LEU 22 2HB LEU 22 7.643 -2.380 0.084 156 HB3 LEU 22 3HB LEU 22 6.359 -1.401 -0.605 157 HG LEU 22 HG LEU 22 6.142 -4.313 0.177 158 HD11 LEU 22 1HD1 LEU 22 4.922 -1.840 1.403 159 HD12 LEU 22 2HD1 LEU 22 6.239 -2.792 2.089 160 HD13 LEU 22 3HD1 LEU 22 4.635 -3.505 1.912 161 HD21 LEU 22 3HD2 LEU 22 4.050 -2.443 -0.940 162 HD22 LEU 22 1HD2 LEU 22 3.760 -4.077 -0.343 163 HD23 LEU 22 2HD2 LEU 22 4.756 -3.828 -1.771 164 HA PRO 23 HA PRO 23 9.474 -0.121 -4.404 165 HB2 PRO 23 2HB PRO 23 7.302 1.905 -4.401 166 HB3 PRO 23 3HB PRO 23 8.251 1.277 -5.752 167 HG2 PRO 23 2HG PRO 23 5.685 0.585 -5.412 168 HG3 PRO 23 3HG PRO 23 6.879 -0.573 -6.030 169 HD2 PRO 23 2HD PRO 23 5.713 -0.326 -3.278 170 HD3 PRO 23 3HD PRO 23 6.074 -1.788 -4.221 171 H ALA 24 H ALA 24 10.825 1.528 -3.656 172 HA ALA 24 HA ALA 24 10.680 2.258 -0.913 173 HB1 ALA 24 3HB ALA 24 12.618 3.680 -1.379 174 HB2 ALA 24 1HB ALA 24 12.371 3.458 -3.111 175 HB3 ALA 24 2HB ALA 24 12.810 2.083 -2.100 176 H ASN 25 H ASN 25 9.242 3.582 -3.711 177 HA ASN 25 HA ASN 25 9.035 6.305 -2.701 178 HB2 ASN 25 2HB ASN 25 7.842 5.118 -5.214 179 HB3 ASN 25 3HB ASN 25 8.115 6.827 -4.865 180 HD21 ASN 25 1HD2 ASN 25 10.180 7.657 -5.015 181 HD22 ASN 25 2HD2 ASN 25 11.472 6.799 -5.773 182 H LEU 26 H LEU 26 7.537 4.001 -1.373 183 HA LEU 26 HA LEU 26 4.857 3.863 -1.944 184 HB2 LEU 26 2HB LEU 26 6.223 3.797 0.744 185 HB3 LEU 26 3HB LEU 26 4.513 3.462 0.544 186 HG LEU 26 HG LEU 26 6.780 1.880 -0.682 187 HD11 LEU 26 1HD1 LEU 26 6.565 1.540 1.733 188 HD12 LEU 26 2HD1 LEU 26 6.086 0.103 0.831 189 HD13 LEU 26 3HD1 LEU 26 4.854 1.156 1.527 190 HD21 LEU 26 3HD2 LEU 26 4.828 1.908 -2.146 191 HD22 LEU 26 1HD2 LEU 26 3.797 1.416 -0.802 192 HD23 LEU 26 2HD2 LEU 26 5.037 0.321 -1.412 193 H ASP 27 H ASP 27 6.269 6.208 0.386 194 HA ASP 27 HA ASP 27 3.714 7.479 0.725 195 HB2 ASP 27 2HB ASP 27 4.903 9.027 2.225 196 HB3 ASP 27 3HB ASP 27 5.211 7.342 2.619 197 H ASP 28 H ASP 28 6.064 7.757 -1.640 198 HA ASP 28 HA ASP 28 5.561 10.569 -2.237 199 HB2 ASP 28 2HB ASP 28 7.211 8.513 -3.733 200 HB3 ASP 28 3HB ASP 28 7.163 10.242 -4.074 201 H MET 29 H MET 29 4.466 7.424 -3.283 202 HA MET 29 HA MET 29 3.457 8.207 -5.834 203 HB2 MET 29 2HB MET 29 2.738 5.846 -4.088 204 HB3 MET 29 3HB MET 29 2.192 6.059 -5.747 205 HG2 MET 29 2HG MET 29 4.570 6.067 -6.464 206 HG3 MET 29 3HG MET 29 5.028 5.690 -4.805 207 HE1 MET 29 3HE MET 29 4.119 3.464 -3.531 208 HE2 MET 29 1HE MET 29 3.205 2.194 -4.344 209 HE3 MET 29 2HE MET 29 2.466 3.771 -4.062 210 H LYS 30 H LYS 30 1.098 7.958 -6.404 211 HA LYS 30 HA LYS 30 -0.510 9.741 -4.818 212 HB2 LYS 30 2HB LYS 30 -1.252 8.050 -7.220 213 HB3 LYS 30 3HB LYS 30 -2.221 9.354 -6.551 214 HG2 LYS 30 2HG LYS 30 -0.614 10.992 -7.211 215 HG3 LYS 30 3HG LYS 30 0.554 9.747 -7.655 216 HD2 LYS 30 2HD LYS 30 -0.513 10.674 -9.648 217 HD3 LYS 30 3HD LYS 30 -0.946 8.977 -9.440 218 HE2 LYS 30 2HE LYS 30 -3.079 9.712 -8.385 219 HE3 LYS 30 3HE LYS 30 -2.648 11.378 -8.762 220 HZ1 LYS 30 3HZ LYS 30 -3.071 9.195 -10.727 221 HZ2 LYS 30 1HZ LYS 30 -2.608 10.774 -11.119 222 HZ3 LYS 30 2HZ LYS 30 -4.123 10.482 -10.428 223 H VAL 31 H VAL 31 -2.623 9.243 -3.940 224 HA VAL 31 HA VAL 31 -2.830 6.923 -2.386 225 HB VAL 31 HB VAL 31 -5.094 8.690 -3.367 226 HG11 VAL 31 1HG1 VAL 31 -5.930 6.549 -2.533 227 HG12 VAL 31 2HG1 VAL 31 -6.339 7.852 -1.420 228 HG13 VAL 31 3HG1 VAL 31 -5.012 6.755 -1.040 229 HG21 VAL 31 3HG2 VAL 31 -3.362 9.938 -2.169 230 HG22 VAL 31 1HG2 VAL 31 -3.479 8.819 -0.809 231 HG23 VAL 31 2HG2 VAL 31 -4.848 9.854 -1.225 232 H ALA 32 H ALA 32 -4.161 7.654 -5.590 233 HA ALA 32 HA ALA 32 -5.654 5.329 -6.018 234 HB1 ALA 32 3HB ALA 32 -5.783 7.303 -7.461 235 HB2 ALA 32 1HB ALA 32 -5.470 5.844 -8.401 236 HB3 ALA 32 2HB ALA 32 -4.159 6.975 -8.063 237 H GLU 33 H GLU 33 -2.192 5.922 -6.434 238 HA GLU 33 HA GLU 33 -1.612 3.436 -7.715 239 HB2 GLU 33 2HB GLU 33 0.232 5.288 -6.176 240 HB3 GLU 33 3HB GLU 33 0.751 3.960 -7.206 241 HG2 GLU 33 2HG GLU 33 -0.703 6.452 -8.088 242 HG3 GLU 33 3HG GLU 33 0.995 6.069 -8.365 243 H LEU 34 H LEU 34 -1.460 4.557 -4.349 244 HA LEU 34 HA LEU 34 -0.525 2.196 -3.167 245 HB2 LEU 34 2HB LEU 34 -2.490 4.214 -2.060 246 HB3 LEU 34 3HB LEU 34 -1.656 2.997 -1.111 247 HG LEU 34 HG LEU 34 -0.317 5.265 -2.603 248 HD11 LEU 34 1HD1 LEU 34 -1.591 6.066 -0.690 249 HD12 LEU 34 2HD1 LEU 34 0.141 6.194 -0.394 250 HD13 LEU 34 3HD1 LEU 34 -0.786 4.893 0.354 251 HD21 LEU 34 3HD2 LEU 34 1.708 4.568 -1.404 252 HD22 LEU 34 1HD2 LEU 34 1.112 3.302 -2.477 253 HD23 LEU 34 2HD2 LEU 34 0.837 3.186 -0.739 254 H LYS 35 H LYS 35 -3.879 3.239 -3.809 255 HA LYS 35 HA LYS 35 -5.183 0.929 -2.910 256 HB2 LYS 35 2HB LYS 35 -5.988 2.850 -5.108 257 HB3 LYS 35 3HB LYS 35 -7.045 1.612 -4.439 258 HG2 LYS 35 2HG LYS 35 -6.768 2.694 -2.198 259 HG3 LYS 35 3HG LYS 35 -5.898 4.002 -3.004 260 HD2 LYS 35 2HD LYS 35 -7.875 4.502 -4.361 261 HD3 LYS 35 3HD LYS 35 -8.741 3.155 -3.620 262 HE2 LYS 35 2HE LYS 35 -8.476 4.281 -1.410 263 HE3 LYS 35 3HE LYS 35 -7.764 5.660 -2.243 264 HZ1 LYS 35 3HZ LYS 35 -9.816 5.978 -3.444 265 HZ2 LYS 35 1HZ LYS 35 -10.133 5.964 -1.782 266 HZ3 LYS 35 2HZ LYS 35 -10.501 4.610 -2.726 267 H GLN 36 H GLN 36 -3.603 1.608 -5.971 268 HA GLN 36 HA GLN 36 -4.553 -0.573 -7.466 269 HB2 GLN 36 2HB GLN 36 -3.365 1.345 -8.446 270 HB3 GLN 36 3HB GLN 36 -1.888 0.871 -7.628 271 HG2 GLN 36 2HG GLN 36 -3.219 -0.991 -9.561 272 HG3 GLN 36 3HG GLN 36 -2.202 0.325 -10.139 273 HE21 GLN 36 1HE2 GLN 36 -1.813 -2.541 -10.378 274 HE22 GLN 36 2HE2 GLN 36 -0.294 -2.883 -9.635 275 H GLU 37 H GLU 37 -1.598 -0.298 -5.460 276 HA GLU 37 HA GLU 37 -0.850 -3.015 -5.778 277 HB2 GLU 37 2HB GLU 37 -0.114 -0.950 -3.709 278 HB3 GLU 37 3HB GLU 37 0.525 -2.586 -3.668 279 HG2 GLU 37 2HG GLU 37 1.316 -2.134 -6.066 280 HG3 GLU 37 3HG GLU 37 0.995 -0.437 -5.708 281 H LEU 38 H LEU 38 -2.820 -1.365 -3.343 282 HA LEU 38 HA LEU 38 -3.108 -3.440 -1.493 283 HB2 LEU 38 2HB LEU 38 -5.046 -1.272 -2.297 284 HB3 LEU 38 3HB LEU 38 -5.295 -2.330 -0.921 285 HG LEU 38 HG LEU 38 -2.895 -0.510 -1.197 286 HD11 LEU 38 1HD1 LEU 38 -4.022 0.997 0.340 287 HD12 LEU 38 2HD1 LEU 38 -5.462 -0.020 0.307 288 HD13 LEU 38 3HD1 LEU 38 -4.943 0.821 -1.151 289 HD21 LEU 38 3HD2 LEU 38 -2.589 -2.402 0.328 290 HD22 LEU 38 1HD2 LEU 38 -4.060 -1.956 1.192 291 HD23 LEU 38 2HD2 LEU 38 -2.663 -0.876 1.207 292 H LYS 39 H LYS 39 -5.303 -2.629 -4.203 293 HA LYS 39 HA LYS 39 -7.154 -4.671 -3.775 294 HB2 LYS 39 2HB LYS 39 -7.960 -4.245 -6.009 295 HB3 LYS 39 3HB LYS 39 -7.523 -2.721 -5.249 296 HG2 LYS 39 2HG LYS 39 -5.378 -2.760 -6.491 297 HG3 LYS 39 3HG LYS 39 -5.919 -4.221 -7.316 298 HD2 LYS 39 2HD LYS 39 -6.302 -2.251 -8.707 299 HD3 LYS 39 3HD LYS 39 -7.835 -2.989 -8.241 300 HE2 LYS 39 2HE LYS 39 -8.156 -1.305 -6.521 301 HE3 LYS 39 3HE LYS 39 -6.574 -0.609 -6.869 302 HZ1 LYS 39 3HZ LYS 39 -7.350 -0.029 -9.074 303 HZ2 LYS 39 1HZ LYS 39 -8.351 0.658 -7.895 304 HZ3 LYS 39 2HZ LYS 39 -8.866 -0.704 -8.755 305 H LEU 40 H LEU 40 -4.071 -4.785 -5.460 306 HA LEU 40 HA LEU 40 -4.430 -7.305 -6.722 307 HB2 LEU 40 2HB LEU 40 -1.896 -5.898 -5.860 308 HB3 LEU 40 3HB LEU 40 -1.943 -7.324 -6.880 309 HG LEU 40 HG LEU 40 -3.060 -4.599 -7.581 310 HD11 LEU 40 1HD1 LEU 40 -0.677 -6.101 -8.661 311 HD12 LEU 40 2HD1 LEU 40 -0.628 -4.665 -7.634 312 HD13 LEU 40 3HD1 LEU 40 -1.287 -4.560 -9.267 313 HD21 LEU 40 3HD2 LEU 40 -2.997 -7.147 -9.202 314 HD22 LEU 40 1HD2 LEU 40 -3.479 -5.561 -9.805 315 HD23 LEU 40 2HD2 LEU 40 -4.434 -6.356 -8.553 316 H ARG 41 H ARG 41 -3.202 -6.371 -3.533 317 HA ARG 41 HA ARG 41 -2.767 -9.208 -2.890 318 HB2 ARG 41 2HB ARG 41 -1.804 -6.680 -1.551 319 HB3 ARG 41 3HB ARG 41 -1.669 -8.259 -0.791 320 HG2 ARG 41 2HG ARG 41 0.388 -8.144 -1.759 321 HG3 ARG 41 3HG ARG 41 -0.503 -8.891 -3.082 322 HD2 ARG 41 2HD ARG 41 0.757 -7.191 -4.095 323 HD3 ARG 41 3HD ARG 41 -0.859 -6.503 -3.945 324 HE ARG 41 HE ARG 41 0.291 -5.630 -1.711 325 HH11 ARG 41 1HH1 ARG 41 1.433 -5.610 -4.964 326 HH12 ARG 41 2HH1 ARG 41 2.393 -4.192 -4.726 327 HH21 ARG 41 1HH2 ARG 41 1.560 -3.828 -1.435 328 HH22 ARG 41 2HH2 ARG 41 2.466 -3.205 -2.771 329 H SER 42 H SER 42 -5.423 -7.709 -2.986 330 HA SER 42 HA SER 42 -7.446 -7.928 -1.965 331 HB2 SER 42 2HB SER 42 -6.844 -10.300 -1.797 332 HB3 SER 42 3HB SER 42 -5.997 -9.996 -0.281 333 HG SER 42 HG SER 42 -7.913 -9.600 0.724 334 H LEU 43 H LEU 43 -5.514 -5.969 -0.932 335 HA LEU 43 HA LEU 43 -6.130 -5.783 1.922 336 HB2 LEU 43 2HB LEU 43 -4.355 -4.176 0.087 337 HB3 LEU 43 3HB LEU 43 -4.598 -3.778 1.777 338 HG LEU 43 HG LEU 43 -3.499 -6.444 0.875 339 HD11 LEU 43 1HD1 LEU 43 -1.273 -5.575 1.381 340 HD12 LEU 43 2HD1 LEU 43 -1.954 -3.979 1.701 341 HD13 LEU 43 3HD1 LEU 43 -2.021 -4.658 0.074 342 HD21 LEU 43 3HD2 LEU 43 -2.694 -6.547 3.189 343 HD22 LEU 43 1HD2 LEU 43 -4.448 -6.383 3.125 344 HD23 LEU 43 2HD2 LEU 43 -3.445 -4.985 3.518 345 HA PRO 44 HA PRO 44 -9.543 -2.918 1.493 346 HB2 PRO 44 2HB PRO 44 -8.390 -1.595 3.905 347 HB3 PRO 44 3HB PRO 44 -10.021 -2.223 3.633 348 HG2 PRO 44 2HG PRO 44 -8.290 -3.531 5.181 349 HG3 PRO 44 3HG PRO 44 -9.400 -4.406 4.110 350 HD2 PRO 44 2HD PRO 44 -6.477 -3.856 3.775 351 HD3 PRO 44 3HD PRO 44 -7.404 -5.312 3.361 352 H VAL 45 H VAL 45 -9.535 -1.352 -0.009 353 HA VAL 45 HA VAL 45 -7.277 0.447 -0.301 354 HB VAL 45 HB VAL 45 -8.419 1.239 -2.341 355 HG11 VAL 45 1HG1 VAL 45 -8.303 -0.866 -3.612 356 HG12 VAL 45 2HG1 VAL 45 -8.291 -1.774 -2.099 357 HG13 VAL 45 3HG1 VAL 45 -6.948 -0.700 -2.491 358 HG21 VAL 45 3HG2 VAL 45 -10.732 1.031 -1.555 359 HG22 VAL 45 1HG2 VAL 45 -10.590 -0.726 -1.581 360 HG23 VAL 45 2HG2 VAL 45 -10.500 0.189 -3.086 361 H SER 46 H SER 46 -10.285 0.577 1.296 362 HA SER 46 HA SER 46 -10.917 3.341 0.822 363 HB2 SER 46 2HB SER 46 -12.029 1.392 2.859 364 HB3 SER 46 3HB SER 46 -12.707 2.977 2.494 365 HG SER 46 HG SER 46 -13.585 1.001 1.379 366 H GLY 47 H GLY 47 -8.252 3.056 1.983 367 HA2 GLY 47 2HA GLY 47 -8.670 4.391 4.604 368 HA3 GLY 47 3HA GLY 47 -7.219 3.502 4.167 369 H THR 48 H THR 48 -6.723 5.906 5.144 370 HA THR 48 HA THR 48 -6.605 7.938 3.073 371 HB THR 48 HB THR 48 -5.415 9.313 4.721 372 HG1 THR 48 HG1 THR 48 -5.699 7.407 6.743 373 HG21 THR 48 3HG2 THR 48 -7.779 7.886 5.957 374 HG22 THR 48 1HG2 THR 48 -7.873 9.234 4.823 375 HG23 THR 48 2HG2 THR 48 -7.163 9.473 6.421 376 H LYS 49 H LYS 49 -4.446 9.079 2.732 377 HA LYS 49 HA LYS 49 -2.716 7.610 1.232 378 HB2 LYS 49 2HB LYS 49 -2.691 10.025 1.194 379 HB3 LYS 49 3HB LYS 49 -2.145 10.093 2.862 380 HG2 LYS 49 2HG LYS 49 -0.283 10.603 1.470 381 HG3 LYS 49 3HG LYS 49 -0.018 8.991 2.133 382 HD2 LYS 49 2HD LYS 49 -0.809 8.010 0.019 383 HD3 LYS 49 3HD LYS 49 -1.050 9.629 -0.638 384 HE2 LYS 49 2HE LYS 49 1.592 8.476 0.275 385 HE3 LYS 49 3HE LYS 49 1.068 8.637 -1.400 386 HZ1 LYS 49 3HZ LYS 49 1.485 10.887 0.493 387 HZ2 LYS 49 1HZ LYS 49 1.002 11.033 -1.117 388 HZ3 LYS 49 2HZ LYS 49 2.541 10.443 -0.747 389 H THR 50 H THR 50 -1.978 8.595 4.598 390 HA THR 50 HA THR 50 0.407 7.080 4.756 391 HB THR 50 HB THR 50 -1.307 8.168 7.000 392 HG1 THR 50 HG1 THR 50 0.981 9.224 5.640 393 HG21 THR 50 3HG2 THR 50 0.734 8.032 8.366 394 HG22 THR 50 1HG2 THR 50 1.581 7.251 7.027 395 HG23 THR 50 2HG2 THR 50 0.230 6.435 7.816 396 H GLU 51 H GLU 51 -2.925 6.320 5.751 397 HA GLU 51 HA GLU 51 -2.429 3.936 7.138 398 HB2 GLU 51 2HB GLU 51 -4.802 4.813 5.491 399 HB3 GLU 51 3HB GLU 51 -4.778 3.286 6.364 400 HG2 GLU 51 2HG GLU 51 -4.454 4.509 8.471 401 HG3 GLU 51 3HG GLU 51 -4.518 6.032 7.583 402 H LEU 52 H LEU 52 -3.129 4.388 3.670 403 HA LEU 52 HA LEU 52 -3.105 1.679 2.948 404 HB2 LEU 52 2HB LEU 52 -2.260 3.989 1.197 405 HB3 LEU 52 3HB LEU 52 -2.871 2.433 0.667 406 HG LEU 52 HG LEU 52 -4.409 4.646 2.020 407 HD11 LEU 52 1HD1 LEU 52 -4.088 4.939 -0.361 408 HD12 LEU 52 2HD1 LEU 52 -5.776 4.568 -0.008 409 HD13 LEU 52 3HD1 LEU 52 -4.720 3.319 -0.666 410 HD21 LEU 52 3HD2 LEU 52 -5.360 1.849 1.412 411 HD22 LEU 52 1HD2 LEU 52 -6.376 3.188 1.937 412 HD23 LEU 52 2HD2 LEU 52 -5.134 2.549 3.011 413 H ILE 53 H ILE 53 -0.466 4.031 3.123 414 HA ILE 53 HA ILE 53 1.621 2.512 2.052 415 HB ILE 53 HB ILE 53 1.773 4.472 4.356 416 HG12 ILE 53 2HG1 ILE 53 2.235 4.989 1.406 417 HG13 ILE 53 3HG1 ILE 53 0.716 5.330 2.229 418 HG21 ILE 53 1HG2 ILE 53 4.120 4.762 3.713 419 HG22 ILE 53 2HG2 ILE 53 3.938 3.523 2.471 420 HG23 ILE 53 3HG2 ILE 53 3.788 3.091 4.177 421 HD11 ILE 53 3HD1 ILE 53 3.383 6.562 2.883 422 HD12 ILE 53 1HD1 ILE 53 1.855 6.905 3.693 423 HD13 ILE 53 2HD1 ILE 53 2.066 7.330 1.998 424 H GLU 54 H GLU 54 0.766 2.869 5.510 425 HA GLU 54 HA GLU 54 2.526 0.837 6.410 426 HB2 GLU 54 2HB GLU 54 0.086 2.046 7.733 427 HB3 GLU 54 3HB GLU 54 1.224 0.972 8.542 428 HG2 GLU 54 2HG GLU 54 3.028 2.612 8.069 429 HG3 GLU 54 3HG GLU 54 1.816 3.698 7.393 430 H ARG 55 H ARG 55 -0.689 0.728 5.134 431 HA ARG 55 HA ARG 55 -1.399 -1.867 6.079 432 HB2 ARG 55 2HB ARG 55 -3.019 -0.151 5.317 433 HB3 ARG 55 3HB ARG 55 -2.425 -0.345 3.674 434 HG2 ARG 55 2HG ARG 55 -3.311 -2.535 3.513 435 HG3 ARG 55 3HG ARG 55 -3.626 -2.614 5.250 436 HD2 ARG 55 2HD ARG 55 -4.981 -0.742 3.300 437 HD3 ARG 55 3HD ARG 55 -5.686 -2.215 3.968 438 HE ARG 55 HE ARG 55 -5.007 -0.804 6.174 439 HH11 ARG 55 1HH1 ARG 55 -6.842 0.007 3.373 440 HH12 ARG 55 2HH1 ARG 55 -7.871 1.096 4.235 441 HH21 ARG 55 1HH2 ARG 55 -6.325 0.593 7.262 442 HH22 ARG 55 2HH2 ARG 55 -7.587 1.420 6.415 443 H LEU 56 H LEU 56 -0.081 -0.693 2.965 444 HA LEU 56 HA LEU 56 0.362 -3.180 1.747 445 HB2 LEU 56 2HB LEU 56 1.924 -0.593 1.563 446 HB3 LEU 56 3HB LEU 56 2.263 -1.988 0.556 447 HG LEU 56 HG LEU 56 -0.360 -0.480 0.592 448 HD11 LEU 56 1HD1 LEU 56 1.883 -0.440 -1.428 449 HD12 LEU 56 2HD1 LEU 56 1.425 0.882 -0.354 450 HD13 LEU 56 3HD1 LEU 56 0.315 0.344 -1.613 451 HD21 LEU 56 3HD2 LEU 56 -0.868 -1.798 -1.414 452 HD22 LEU 56 1HD2 LEU 56 -0.645 -2.825 0.000 453 HD23 LEU 56 2HD2 LEU 56 0.636 -2.693 -1.204 454 H ARG 57 H ARG 57 2.447 -1.271 3.883 455 HA ARG 57 HA ARG 57 4.646 -3.000 4.016 456 HB2 ARG 57 2HB ARG 57 3.565 -1.095 6.108 457 HB3 ARG 57 3HB ARG 57 5.153 -1.851 6.168 458 HG2 ARG 57 2HG ARG 57 5.836 -0.680 4.164 459 HG3 ARG 57 3HG ARG 57 4.214 -0.009 3.968 460 HD2 ARG 57 2HD ARG 57 5.767 1.621 4.953 461 HD3 ARG 57 3HD ARG 57 4.443 1.224 6.050 462 HE ARG 57 HE ARG 57 7.119 0.015 6.299 463 HH11 ARG 57 1HH1 ARG 57 4.394 1.596 7.692 464 HH12 ARG 57 2HH1 ARG 57 4.985 1.442 9.307 465 HH21 ARG 57 1HH2 ARG 57 7.875 -0.164 8.371 466 HH22 ARG 57 2HH2 ARG 57 6.941 0.466 9.683 467 H ALA 58 H ALA 58 1.682 -2.912 5.967 468 HA ALA 58 HA ALA 58 2.362 -4.857 7.865 469 HB1 ALA 58 3HB ALA 58 0.422 -3.397 8.110 470 HB2 ALA 58 1HB ALA 58 -0.048 -5.091 8.247 471 HB3 ALA 58 2HB ALA 58 -0.373 -4.202 6.758 472 H TYR 59 H TYR 59 0.789 -5.234 4.688 473 HA TYR 59 HA TYR 59 0.410 -8.037 4.852 474 HB2 TYR 59 2HB TYR 59 -0.730 -6.524 3.228 475 HB3 TYR 59 3HB TYR 59 0.791 -6.356 2.360 476 HD1 TYR 59 HD2 TYR 59 -1.989 -8.629 3.161 477 HD2 TYR 59 HD1 TYR 59 1.633 -8.167 0.959 478 HE1 TYR 59 HE2 TYR 59 -2.548 -10.623 1.830 479 HE2 TYR 59 HE1 TYR 59 1.078 -10.153 -0.375 480 HH TYR 59 HH TYR 59 -2.007 -11.594 -0.360 481 H GLN 60 H GLN 60 2.998 -6.098 3.338 482 HA GLN 60 HA GLN 60 4.584 -8.217 2.405 483 HB2 GLN 60 2HB GLN 60 4.833 -5.790 1.811 484 HB3 GLN 60 3HB GLN 60 5.546 -5.519 3.394 485 HG2 GLN 60 2HG GLN 60 7.298 -5.680 1.763 486 HG3 GLN 60 3HG GLN 60 7.361 -7.100 2.807 487 HE21 GLN 60 1HE2 GLN 60 8.488 -8.279 1.230 488 HE22 GLN 60 2HE2 GLN 60 7.704 -8.885 -0.182 489 H ASP 61 H ASP 61 4.505 -6.575 5.506 490 HA ASP 61 HA ASP 61 6.712 -7.669 6.789 491 HB2 ASP 61 2HB ASP 61 5.474 -5.820 7.723 492 HB3 ASP 61 3HB ASP 61 4.008 -6.784 7.828 493 H GLN 62 H GLN 62 3.641 -9.120 6.050 494 HA GLN 62 HA GLN 62 4.011 -11.343 7.899 495 HB2 GLN 62 2HB GLN 62 1.803 -10.763 5.910 496 HB3 GLN 62 3HB GLN 62 1.786 -12.061 7.100 497 HG2 GLN 62 2HG GLN 62 1.779 -10.467 8.909 498 HG3 GLN 62 3HG GLN 62 1.968 -9.133 7.775 499 HE21 GLN 62 1HE2 GLN 62 0.091 -8.150 8.534 500 HE22 GLN 62 2HE2 GLN 62 -1.480 -8.750 8.134 501 H ILE 63 H ILE 63 4.152 -10.756 4.410 502 HA ILE 63 HA ILE 63 4.476 -13.617 3.869 503 HB ILE 63 HB ILE 63 4.386 -13.037 1.502 504 HG12 ILE 63 2HG1 ILE 63 4.106 -10.156 2.416 505 HG13 ILE 63 3HG1 ILE 63 5.554 -10.838 1.684 506 HG21 ILE 63 1HG2 ILE 63 2.209 -11.690 3.113 507 HG22 ILE 63 2HG2 ILE 63 2.292 -13.405 2.705 508 HG23 ILE 63 3HG2 ILE 63 2.076 -12.206 1.431 509 HD11 ILE 63 3HD1 ILE 63 2.859 -10.655 0.354 510 HD12 ILE 63 1HD1 ILE 63 4.350 -11.253 -0.375 511 HD13 ILE 63 2HD1 ILE 63 4.214 -9.557 0.089 512 H SER 64 H SER 64 6.488 -10.843 4.253 513 HA SER 64 HA SER 64 8.607 -11.586 2.504 514 HB2 SER 64 2HB SER 64 8.415 -9.283 3.226 515 HB3 SER 64 3HB SER 64 8.607 -9.751 4.916 516 HG SER 64 HG SER 64 10.725 -10.192 4.573 517 HA PRO 65 HA PRO 65 10.810 -14.602 5.057 518 HB2 PRO 65 2HB PRO 65 13.179 -13.816 3.468 519 HB3 PRO 65 3HB PRO 65 12.396 -15.395 3.607 520 HG2 PRO 65 2HG PRO 65 12.218 -13.944 1.356 521 HG3 PRO 65 3HG PRO 65 10.862 -14.930 1.933 522 HD2 PRO 65 2HD PRO 65 11.290 -11.966 2.189 523 HD3 PRO 65 3HD PRO 65 9.816 -12.858 1.748 524 H VAL 66 H VAL 66 13.355 -14.483 5.918 525 HA VAL 66 HA VAL 66 13.372 -12.388 7.841 526 HB VAL 66 HB VAL 66 15.633 -13.208 8.457 527 HG11 VAL 66 1HG1 VAL 66 13.641 -14.246 9.417 528 HG12 VAL 66 2HG1 VAL 66 14.925 -15.434 9.197 529 HG13 VAL 66 3HG1 VAL 66 13.568 -15.382 8.069 530 HG21 VAL 66 3HG2 VAL 66 16.490 -13.829 6.274 531 HG22 VAL 66 1HG2 VAL 66 15.256 -15.081 6.110 532 HG23 VAL 66 2HG2 VAL 66 16.515 -15.235 7.339 533 HA PRO 67 HA PRO 67 15.316 -9.279 5.278 534 HB2 PRO 67 2HB PRO 67 15.450 -7.294 7.103 535 HB3 PRO 67 3HB PRO 67 13.920 -7.810 6.383 536 HG2 PRO 67 2HG PRO 67 15.080 -8.483 9.060 537 HG3 PRO 67 3HG PRO 67 13.405 -8.088 8.634 538 HD2 PRO 67 2HD PRO 67 14.341 -10.649 9.012 539 HD3 PRO 67 3HD PRO 67 12.938 -10.247 8.005 540 H GLY 68 H GLY 68 16.649 -9.763 8.576 541 HA2 GLY 68 2HA GLY 68 19.253 -8.760 7.817 542 HA3 GLY 68 3HA GLY 68 18.808 -9.456 9.368 543 H ALA 69 H ALA 69 17.849 -11.926 8.529 544 HA ALA 69 HA ALA 69 18.427 -14.034 7.943 545 HB1 ALA 69 3HB ALA 69 20.506 -12.782 6.150 546 HB2 ALA 69 1HB ALA 69 18.827 -13.101 5.705 547 HB3 ALA 69 2HB ALA 69 19.911 -14.442 6.074 548 HA PRO 70 HA PRO 70 21.534 -14.949 11.047 549 HB2 PRO 70 2HB PRO 70 21.395 -17.666 9.816 550 HB3 PRO 70 3HB PRO 70 21.212 -17.183 11.508 551 HG2 PRO 70 2HG PRO 70 19.085 -17.877 10.068 552 HG3 PRO 70 3HG PRO 70 18.998 -16.530 11.219 553 HD2 PRO 70 2HD PRO 70 19.239 -16.455 8.231 554 HD3 PRO 70 3HD PRO 70 18.275 -15.425 9.312 555 H LYS 71 H LYS 71 23.458 -14.022 10.472 556 HA LYS 71 HA LYS 71 24.820 -14.639 8.029 557 HB2 LYS 71 2HB LYS 71 25.733 -13.062 10.444 558 HB3 LYS 71 3HB LYS 71 26.591 -13.138 8.909 559 HG2 LYS 71 2HG LYS 71 24.699 -12.086 7.782 560 HG3 LYS 71 3HG LYS 71 23.801 -12.050 9.302 561 HD2 LYS 71 2HD LYS 71 25.516 -10.583 10.274 562 HD3 LYS 71 3HD LYS 71 26.412 -10.622 8.754 563 HE2 LYS 71 2HE LYS 71 24.531 -9.566 7.606 564 HE3 LYS 71 3HE LYS 71 23.608 -9.551 9.109 565 HZ1 LYS 71 3HZ LYS 71 26.153 -8.099 8.616 566 HZ2 LYS 71 1HZ LYS 71 25.295 -8.096 10.073 567 HZ3 LYS 71 2HZ LYS 71 24.613 -7.404 8.688 568 H ALA 72 H ALA 72 25.534 -16.690 7.862 569 HA ALA 72 HA ALA 72 26.987 -18.422 8.015 570 HB1 ALA 72 3HB ALA 72 28.710 -16.692 8.309 571 HB2 ALA 72 1HB ALA 72 29.089 -18.169 9.195 572 HB3 ALA 72 2HB ALA 72 28.467 -16.760 10.054 573 HA PRO 73 HA PRO 73 25.127 -20.836 11.328 574 HB2 PRO 73 2HB PRO 73 27.167 -22.838 10.480 575 HB3 PRO 73 3HB PRO 73 25.413 -23.010 10.627 576 HG2 PRO 73 2HG PRO 73 26.557 -22.833 8.230 577 HG3 PRO 73 3HG PRO 73 25.010 -22.026 8.554 578 HD2 PRO 73 2HD PRO 73 27.773 -20.854 8.418 579 HD3 PRO 73 3HD PRO 73 26.241 -20.206 7.791 580 H ALA 74 H ALA 74 25.682 -20.253 13.356 581 HA ALA 74 HA ALA 74 28.299 -19.732 14.260 582 HB1 ALA 74 3HB ALA 74 25.829 -20.324 15.896 583 HB2 ALA 74 1HB ALA 74 26.311 -18.743 15.277 584 HB3 ALA 74 2HB ALA 74 27.309 -19.559 16.481 585 H ALA 75 H ALA 75 29.849 -20.965 15.137 586 HA ALA 75 HA ALA 75 29.309 -23.438 16.501 587 HB1 ALA 75 3HB ALA 75 30.822 -23.612 13.894 588 HB2 ALA 75 1HB ALA 75 29.182 -24.195 14.156 589 HB3 ALA 75 2HB ALA 75 30.529 -24.929 15.025 Start of MODEL 20 1 H1 MET 1 1H MET 1 49.945 -11.004 -41.176 2 H2 MET 1 2H MET 1 48.391 -10.801 -40.552 3 H3 MET 1 3H MET 1 49.701 -10.017 -39.826 4 HA MET 1 HA MET 1 50.059 -8.704 -41.815 5 HB2 MET 1 2HB MET 1 47.607 -10.193 -42.781 6 HB3 MET 1 3HB MET 1 48.215 -8.732 -43.546 7 HG2 MET 1 2HG MET 1 50.337 -9.868 -44.015 8 HG3 MET 1 3HG MET 1 49.705 -11.337 -43.271 9 HE1 MET 1 3HE MET 1 49.830 -12.095 -47.153 10 HE2 MET 1 1HE MET 1 50.437 -12.567 -45.564 11 HE3 MET 1 2HE MET 1 50.931 -11.031 -46.279 12 H GLY 2 H GLY 2 49.554 -6.681 -41.295 13 HA2 GLY 2 2HA GLY 2 48.300 -4.835 -40.723 14 HA3 GLY 2 3HA GLY 2 46.860 -5.839 -40.764 15 H HIS 3 H HIS 3 47.103 -3.892 -38.888 16 HA HIS 3 HA HIS 3 47.128 -5.488 -36.417 17 HB2 HIS 3 2HB HIS 3 48.281 -2.696 -36.681 18 HB3 HIS 3 3HB HIS 3 48.066 -3.563 -35.165 19 HD1 HIS 3 HD1 HIS 3 49.660 -5.614 -34.751 20 HD2 HIS 3 HD2 HIS 3 50.560 -3.345 -38.110 21 HE1 HIS 3 HE1 HIS 3 51.984 -6.283 -35.415 22 HE2 HIS 3 HE2 HIS 3 52.572 -4.741 -37.303 23 H HIS 4 H HIS 4 44.915 -5.583 -36.195 24 HA HIS 4 HA HIS 4 43.175 -3.427 -36.850 25 HB2 HIS 4 2HB HIS 4 42.607 -5.867 -35.146 26 HB3 HIS 4 3HB HIS 4 41.401 -4.812 -35.880 27 HD1 HIS 4 HD1 HIS 4 42.908 -7.955 -36.431 28 HD2 HIS 4 HD2 HIS 4 41.928 -4.773 -38.914 29 HE1 HIS 4 HE1 HIS 4 42.834 -8.909 -38.746 30 HE2 HIS 4 HE2 HIS 4 42.452 -6.930 -40.241 31 H HIS 5 H HIS 5 42.626 -1.672 -35.684 32 HA HIS 5 HA HIS 5 43.463 -1.579 -32.856 33 HB2 HIS 5 2HB HIS 5 43.092 0.686 -34.833 34 HB3 HIS 5 3HB HIS 5 43.572 0.876 -33.149 35 HD1 HIS 5 HD1 HIS 5 45.011 0.789 -36.372 36 HD2 HIS 5 HD2 HIS 5 46.092 -0.787 -32.682 37 HE1 HIS 5 HE1 HIS 5 47.469 0.315 -36.538 38 HE2 HIS 5 HE2 HIS 5 48.065 -0.778 -34.353 39 H HIS 6 H HIS 6 41.829 -1.880 -31.512 40 HA HIS 6 HA HIS 6 39.758 -0.032 -31.187 41 HB2 HIS 6 2HB HIS 6 38.671 -1.040 -33.116 42 HB3 HIS 6 3HB HIS 6 38.870 -2.652 -32.436 43 HD1 HIS 6 HD1 HIS 6 37.072 0.595 -31.589 44 HD2 HIS 6 HD2 HIS 6 36.708 -3.505 -31.012 45 HE1 HIS 6 HE1 HIS 6 34.881 0.276 -30.408 46 HE2 HIS 6 HE2 HIS 6 34.651 -2.211 -30.121 47 H HIS 7 H HIS 7 39.974 -0.034 -29.003 48 HA HIS 7 HA HIS 7 39.511 -2.596 -27.607 49 HB2 HIS 7 2HB HIS 7 41.546 -0.472 -26.934 50 HB3 HIS 7 3HB HIS 7 41.002 -1.658 -25.755 51 HD1 HIS 7 HD1 HIS 7 43.916 -1.288 -27.217 52 HD2 HIS 7 HD2 HIS 7 41.111 -4.296 -27.797 53 HE1 HIS 7 HE1 HIS 7 45.213 -3.255 -28.071 54 HE2 HIS 7 HE2 HIS 7 43.468 -4.988 -28.603 55 H HIS 8 H HIS 8 38.826 -2.277 -25.306 56 HA HIS 8 HA HIS 8 37.471 0.179 -24.620 57 HB2 HIS 8 2HB HIS 8 35.224 -0.851 -24.427 58 HB3 HIS 8 3HB HIS 8 35.791 -0.831 -26.092 59 HD1 HIS 8 HD1 HIS 8 34.734 -3.114 -23.379 60 HD2 HIS 8 HD2 HIS 8 36.519 -3.413 -27.122 61 HE1 HIS 8 HE1 HIS 8 34.581 -5.538 -24.004 62 HE2 HIS 8 HE2 HIS 8 35.869 -5.728 -26.156 63 H SER 9 H SER 9 38.033 0.391 -22.504 64 HA SER 9 HA SER 9 37.840 -1.997 -20.783 65 HB2 SER 9 2HB SER 9 39.927 -1.369 -19.624 66 HB3 SER 9 3HB SER 9 40.207 -1.717 -21.329 67 HG SER 9 HG SER 9 40.268 0.744 -19.969 68 H HIS 10 H HIS 10 35.843 -1.152 -20.002 69 HA HIS 10 HA HIS 10 36.262 0.297 -17.572 70 HB2 HIS 10 2HB HIS 10 34.836 2.192 -17.923 71 HB3 HIS 10 3HB HIS 10 36.021 2.178 -19.221 72 HD1 HIS 10 HD1 HIS 10 35.143 1.890 -21.617 73 HD2 HIS 10 HD2 HIS 10 32.173 1.690 -18.717 74 HE1 HIS 10 HE1 HIS 10 32.974 2.033 -22.866 75 HE2 HIS 10 HE2 HIS 10 31.190 1.815 -21.107 76 H MET 11 H MET 11 34.501 0.119 -16.110 77 HA MET 11 HA MET 11 32.332 -1.683 -16.995 78 HB2 MET 11 2HB MET 11 32.395 -2.766 -14.787 79 HB3 MET 11 3HB MET 11 33.922 -2.939 -15.637 80 HG2 MET 11 2HG MET 11 34.911 -1.182 -14.279 81 HG3 MET 11 3HG MET 11 33.372 -0.930 -13.456 82 HE1 MET 11 3HE MET 11 34.605 -1.212 -11.082 83 HE2 MET 11 1HE MET 11 36.140 -1.463 -11.913 84 HE3 MET 11 2HE MET 11 35.610 -2.602 -10.675 85 H SER 12 H SER 12 30.295 -1.445 -15.961 86 HA SER 12 HA SER 12 29.942 0.931 -14.251 87 HB2 SER 12 2HB SER 12 28.291 0.339 -16.726 88 HB3 SER 12 3HB SER 12 27.957 1.623 -15.565 89 HG SER 12 HG SER 12 30.468 1.921 -16.262 90 H THR 13 H THR 13 29.136 0.128 -12.414 91 HA THR 13 HA THR 13 27.254 -2.135 -12.503 92 HB THR 13 HB THR 13 27.743 -2.410 -10.089 93 HG1 THR 13 HG1 THR 13 29.186 -1.092 -9.068 94 HG21 THR 13 3HG2 THR 13 29.090 -3.627 -11.742 95 HG22 THR 13 1HG2 THR 13 30.050 -3.200 -10.323 96 HG23 THR 13 2HG2 THR 13 30.223 -2.275 -11.815 97 HA PRO 14 HA PRO 14 23.943 0.609 -11.082 98 HB2 PRO 14 2HB PRO 14 22.447 -1.857 -10.524 99 HB3 PRO 14 3HB PRO 14 22.096 -0.585 -11.696 100 HG2 PRO 14 2HG PRO 14 22.904 -3.056 -12.446 101 HG3 PRO 14 3HG PRO 14 23.328 -1.601 -13.368 102 HD2 PRO 14 2HD PRO 14 24.987 -3.147 -11.396 103 HD3 PRO 14 3HD PRO 14 25.457 -2.466 -12.970 104 H LEU 15 H LEU 15 23.378 1.340 -9.052 105 HA LEU 15 HA LEU 15 24.598 -0.058 -6.792 106 HB2 LEU 15 2HB LEU 15 23.421 2.719 -7.022 107 HB3 LEU 15 3HB LEU 15 24.091 2.057 -5.545 108 HG LEU 15 HG LEU 15 25.740 3.489 -6.498 109 HD11 LEU 15 1HD1 LEU 15 27.619 1.983 -6.844 110 HD12 LEU 15 2HD1 LEU 15 26.511 0.635 -7.101 111 HD13 LEU 15 3HD1 LEU 15 26.596 1.420 -5.523 112 HD21 LEU 15 3HD2 LEU 15 25.462 1.933 -9.072 113 HD22 LEU 15 1HD2 LEU 15 26.626 3.221 -8.759 114 HD23 LEU 15 2HD2 LEU 15 24.900 3.582 -8.786 115 H THR 16 H THR 16 21.417 1.262 -7.708 116 HA THR 16 HA THR 16 20.223 -0.213 -5.434 117 HB THR 16 HB THR 16 19.194 2.304 -6.776 118 HG1 THR 16 HG1 THR 16 19.898 3.343 -4.960 119 HG21 THR 16 3HG2 THR 16 17.352 0.911 -5.955 120 HG22 THR 16 1HG2 THR 16 17.538 2.357 -4.960 121 HG23 THR 16 2HG2 THR 16 18.129 0.801 -4.373 122 H GLY 17 H GLY 17 18.459 -1.510 -5.747 123 HA2 GLY 17 2HA GLY 17 16.453 -1.639 -7.447 124 HA3 GLY 17 3HA GLY 17 17.743 -2.133 -8.530 125 H LYS 18 H LYS 18 15.586 -3.135 -6.020 126 HA LYS 18 HA LYS 18 16.434 -5.902 -6.392 127 HB2 LYS 18 2HB LYS 18 16.488 -6.323 -3.927 128 HB3 LYS 18 3HB LYS 18 17.794 -5.300 -4.511 129 HG2 LYS 18 2HG LYS 18 16.505 -3.309 -3.734 130 HG3 LYS 18 3HG LYS 18 15.320 -4.413 -3.028 131 HD2 LYS 18 2HD LYS 18 17.030 -5.371 -1.584 132 HD3 LYS 18 3HD LYS 18 18.264 -4.354 -2.331 133 HE2 LYS 18 2HE LYS 18 17.620 -3.397 -0.214 134 HE3 LYS 18 3HE LYS 18 17.056 -2.351 -1.516 135 HZ1 LYS 18 3HZ LYS 18 14.851 -3.373 -1.272 136 HZ2 LYS 18 1HZ LYS 18 15.354 -2.590 0.137 137 HZ3 LYS 18 2HZ LYS 18 15.416 -4.275 0.043 138 HA PRO 19 HA PRO 19 11.950 -6.213 -6.109 139 HB2 PRO 19 2HB PRO 19 11.694 -8.669 -7.131 140 HB3 PRO 19 3HB PRO 19 12.219 -7.317 -8.145 141 HG2 PRO 19 2HG PRO 19 13.860 -9.475 -6.862 142 HG3 PRO 19 3HG PRO 19 13.981 -8.801 -8.499 143 HD2 PRO 19 2HD PRO 19 15.585 -8.049 -6.367 144 HD3 PRO 19 3HD PRO 19 15.279 -7.042 -7.796 145 H GLY 20 H GLY 20 10.573 -8.484 -5.534 146 HA2 GLY 20 2HA GLY 20 9.970 -9.989 -3.885 147 HA3 GLY 20 3HA GLY 20 11.600 -9.884 -3.238 148 H ALA 21 H ALA 21 9.800 -6.953 -3.689 149 HA ALA 21 HA ALA 21 8.704 -6.807 -1.047 150 HB1 ALA 21 3HB ALA 21 11.211 -5.207 -1.579 151 HB2 ALA 21 1HB ALA 21 11.074 -6.580 -0.478 152 HB3 ALA 21 2HB ALA 21 10.191 -5.087 -0.143 153 H LEU 22 H LEU 22 8.434 -4.230 -0.547 154 HA LEU 22 HA LEU 22 6.731 -3.273 -2.684 155 HB2 LEU 22 2HB LEU 22 7.396 -2.075 0.009 156 HB3 LEU 22 3HB LEU 22 6.144 -1.496 -1.075 157 HG LEU 22 HG LEU 22 6.163 -4.230 0.216 158 HD11 LEU 22 1HD1 LEU 22 4.375 -3.357 1.639 159 HD12 LEU 22 2HD1 LEU 22 4.595 -1.752 0.939 160 HD13 LEU 22 3HD1 LEU 22 5.888 -2.487 1.892 161 HD21 LEU 22 3HD2 LEU 22 4.949 -4.176 -1.907 162 HD22 LEU 22 1HD2 LEU 22 4.014 -2.786 -1.345 163 HD23 LEU 22 2HD2 LEU 22 3.842 -4.352 -0.545 164 HA PRO 23 HA PRO 23 9.375 -0.053 -4.435 165 HB2 PRO 23 2HB PRO 23 7.060 1.779 -3.989 166 HB3 PRO 23 3HB PRO 23 7.976 1.461 -5.466 167 HG2 PRO 23 2HG PRO 23 5.533 0.453 -5.152 168 HG3 PRO 23 3HG PRO 23 6.816 -0.504 -5.921 169 HD2 PRO 23 2HD PRO 23 5.714 -0.693 -3.140 170 HD3 PRO 23 3HD PRO 23 6.209 -1.992 -4.246 171 H ALA 24 H ALA 24 10.628 1.721 -3.761 172 HA ALA 24 HA ALA 24 10.721 2.108 -0.890 173 HB1 ALA 24 3HB ALA 24 12.778 1.739 -2.178 174 HB2 ALA 24 1HB ALA 24 12.816 3.277 -1.313 175 HB3 ALA 24 2HB ALA 24 12.498 3.248 -3.049 176 H ASN 25 H ASN 25 9.119 3.676 -3.396 177 HA ASN 25 HA ASN 25 9.221 6.299 -2.030 178 HB2 ASN 25 2HB ASN 25 8.486 5.724 -4.912 179 HB3 ASN 25 3HB ASN 25 8.636 7.314 -4.171 180 HD21 ASN 25 1HD2 ASN 25 10.707 8.052 -3.581 181 HD22 ASN 25 2HD2 ASN 25 12.124 7.404 -4.321 182 H LEU 26 H LEU 26 7.370 3.978 -1.414 183 HA LEU 26 HA LEU 26 4.813 4.188 -2.369 184 HB2 LEU 26 2HB LEU 26 5.686 3.714 0.485 185 HB3 LEU 26 3HB LEU 26 4.040 3.485 -0.075 186 HG LEU 26 HG LEU 26 6.445 1.958 -1.096 187 HD11 LEU 26 1HD1 LEU 26 4.248 1.095 0.787 188 HD12 LEU 26 2HD1 LEU 26 5.934 1.384 1.217 189 HD13 LEU 26 3HD1 LEU 26 5.514 0.058 0.131 190 HD21 LEU 26 3HD2 LEU 26 4.779 0.530 -2.198 191 HD22 LEU 26 1HD2 LEU 26 4.695 2.190 -2.785 192 HD23 LEU 26 2HD2 LEU 26 3.492 1.595 -1.638 193 H ASP 27 H ASP 27 6.184 6.176 0.255 194 HA ASP 27 HA ASP 27 3.800 7.690 0.666 195 HB2 ASP 27 2HB ASP 27 5.566 7.363 2.393 196 HB3 ASP 27 3HB ASP 27 6.642 8.396 1.457 197 H ASP 28 H ASP 28 6.578 8.064 -1.414 198 HA ASP 28 HA ASP 28 6.048 10.810 -2.111 199 HB2 ASP 28 2HB ASP 28 8.321 9.743 -2.141 200 HB3 ASP 28 3HB ASP 28 7.807 8.789 -3.529 201 H MET 29 H MET 29 5.013 7.708 -3.200 202 HA MET 29 HA MET 29 4.212 8.419 -5.849 203 HB2 MET 29 2HB MET 29 3.512 6.088 -4.057 204 HB3 MET 29 3HB MET 29 2.958 6.228 -5.719 205 HG2 MET 29 2HG MET 29 5.127 6.003 -6.583 206 HG3 MET 29 3HG MET 29 5.875 6.333 -5.022 207 HE1 MET 29 3HE MET 29 2.787 3.969 -5.586 208 HE2 MET 29 1HE MET 29 3.573 2.417 -5.875 209 HE3 MET 29 2HE MET 29 3.718 3.711 -7.061 210 H LYS 30 H LYS 30 1.743 7.715 -6.345 211 HA LYS 30 HA LYS 30 0.168 9.779 -4.985 212 HB2 LYS 30 2HB LYS 30 -0.254 8.302 -7.590 213 HB3 LYS 30 3HB LYS 30 -1.355 9.518 -6.955 214 HG2 LYS 30 2HG LYS 30 0.300 11.233 -7.154 215 HG3 LYS 30 3HG LYS 30 1.550 10.052 -7.557 216 HD2 LYS 30 2HD LYS 30 -0.908 10.591 -9.232 217 HD3 LYS 30 3HD LYS 30 0.677 11.308 -9.525 218 HE2 LYS 30 2HE LYS 30 1.629 9.059 -9.823 219 HE3 LYS 30 3HE LYS 30 0.033 8.355 -9.560 220 HZ1 LYS 30 3HZ LYS 30 0.530 8.512 -11.904 221 HZ2 LYS 30 1HZ LYS 30 0.788 10.181 -11.777 222 HZ3 LYS 30 2HZ LYS 30 -0.757 9.541 -11.519 223 H VAL 31 H VAL 31 -2.021 9.411 -4.336 224 HA VAL 31 HA VAL 31 -2.476 7.212 -2.729 225 HB VAL 31 HB VAL 31 -4.600 8.929 -4.047 226 HG11 VAL 31 1HG1 VAL 31 -6.025 8.300 -2.155 227 HG12 VAL 31 2HG1 VAL 31 -4.753 7.245 -1.541 228 HG13 VAL 31 3HG1 VAL 31 -5.531 6.879 -3.079 229 HG21 VAL 31 3HG2 VAL 31 -2.983 10.294 -2.843 230 HG22 VAL 31 1HG2 VAL 31 -3.155 9.280 -1.410 231 HG23 VAL 31 2HG2 VAL 31 -4.512 10.259 -1.967 232 H ALA 32 H ALA 32 -3.727 7.725 -6.036 233 HA ALA 32 HA ALA 32 -5.220 5.395 -6.331 234 HB1 ALA 32 3HB ALA 32 -4.963 5.691 -8.732 235 HB2 ALA 32 1HB ALA 32 -3.600 6.781 -8.473 236 HB3 ALA 32 2HB ALA 32 -5.217 7.247 -7.947 237 H GLU 33 H GLU 33 -1.761 5.883 -6.987 238 HA GLU 33 HA GLU 33 -1.075 3.396 -8.013 239 HB2 GLU 33 2HB GLU 33 0.556 5.141 -6.148 240 HB3 GLU 33 3HB GLU 33 1.197 3.859 -7.166 241 HG2 GLU 33 2HG GLU 33 -0.242 6.259 -8.276 242 HG3 GLU 33 3HG GLU 33 1.497 6.228 -7.992 243 H LEU 34 H LEU 34 -1.064 4.442 -4.619 244 HA LEU 34 HA LEU 34 -0.263 2.003 -3.461 245 HB2 LEU 34 2HB LEU 34 -1.983 4.166 -2.236 246 HB3 LEU 34 3HB LEU 34 -1.052 2.962 -1.362 247 HG LEU 34 HG LEU 34 0.130 5.141 -3.100 248 HD11 LEU 34 1HD1 LEU 34 0.840 6.184 -1.014 249 HD12 LEU 34 2HD1 LEU 34 0.018 4.926 -0.087 250 HD13 LEU 34 3HD1 LEU 34 -0.917 6.046 -1.078 251 HD21 LEU 34 3HD2 LEU 34 2.266 4.457 -2.108 252 HD22 LEU 34 1HD2 LEU 34 1.527 3.143 -3.024 253 HD23 LEU 34 2HD2 LEU 34 1.454 3.141 -1.262 254 H LYS 35 H LYS 35 -3.511 3.376 -3.968 255 HA LYS 35 HA LYS 35 -5.016 1.385 -2.733 256 HB2 LYS 35 2HB LYS 35 -5.714 3.092 -5.129 257 HB3 LYS 35 3HB LYS 35 -6.875 2.125 -4.227 258 HG2 LYS 35 2HG LYS 35 -6.432 3.441 -2.220 259 HG3 LYS 35 3HG LYS 35 -5.241 4.398 -3.103 260 HD2 LYS 35 2HD LYS 35 -7.345 5.605 -2.959 261 HD3 LYS 35 3HD LYS 35 -7.014 5.167 -4.634 262 HE2 LYS 35 2HE LYS 35 -8.559 3.277 -4.449 263 HE3 LYS 35 3HE LYS 35 -8.863 3.684 -2.761 264 HZ1 LYS 35 3HZ LYS 35 -10.622 4.542 -4.104 265 HZ2 LYS 35 1HZ LYS 35 -9.539 5.340 -5.129 266 HZ3 LYS 35 2HZ LYS 35 -9.718 5.843 -3.527 267 H GLN 36 H GLN 36 -3.733 1.508 -6.038 268 HA GLN 36 HA GLN 36 -5.025 -0.821 -6.983 269 HB2 GLN 36 2HB GLN 36 -2.435 0.476 -7.856 270 HB3 GLN 36 3HB GLN 36 -3.222 -0.836 -8.724 271 HG2 GLN 36 2HG GLN 36 -4.469 1.852 -8.178 272 HG3 GLN 36 3HG GLN 36 -3.679 1.394 -9.683 273 HE21 GLN 36 1HE2 GLN 36 -4.716 -1.316 -9.695 274 HE22 GLN 36 2HE2 GLN 36 -6.393 -1.195 -10.084 275 H GLU 37 H GLU 37 -1.715 -0.414 -5.651 276 HA GLU 37 HA GLU 37 -1.024 -3.148 -5.806 277 HB2 GLU 37 2HB GLU 37 0.051 -0.936 -4.052 278 HB3 GLU 37 3HB GLU 37 0.757 -2.547 -4.122 279 HG2 GLU 37 2HG GLU 37 1.143 -2.260 -6.539 280 HG3 GLU 37 3HG GLU 37 0.480 -0.631 -6.434 281 H LEU 38 H LEU 38 -2.964 -1.430 -3.498 282 HA LEU 38 HA LEU 38 -3.035 -3.537 -1.540 283 HB2 LEU 38 2HB LEU 38 -4.833 -1.178 -2.088 284 HB3 LEU 38 3HB LEU 38 -5.179 -2.342 -0.822 285 HG LEU 38 HG LEU 38 -2.658 -0.678 -0.956 286 HD11 LEU 38 1HD1 LEU 38 -5.159 -0.290 0.690 287 HD12 LEU 38 2HD1 LEU 38 -4.599 0.747 -0.625 288 HD13 LEU 38 3HD1 LEU 38 -3.660 0.625 0.863 289 HD21 LEU 38 3HD2 LEU 38 -2.368 -1.402 1.375 290 HD22 LEU 38 1HD2 LEU 38 -2.370 -2.770 0.266 291 HD23 LEU 38 2HD2 LEU 38 -3.800 -2.426 1.237 292 H LYS 39 H LYS 39 -5.486 -2.419 -3.906 293 HA LYS 39 HA LYS 39 -7.284 -4.516 -3.375 294 HB2 LYS 39 2HB LYS 39 -8.531 -3.727 -5.312 295 HB3 LYS 39 3HB LYS 39 -7.974 -2.375 -4.337 296 HG2 LYS 39 2HG LYS 39 -6.033 -2.195 -5.979 297 HG3 LYS 39 3HG LYS 39 -6.959 -3.287 -7.012 298 HD2 LYS 39 2HD LYS 39 -7.818 -0.568 -6.010 299 HD3 LYS 39 3HD LYS 39 -7.386 -0.992 -7.666 300 HE2 LYS 39 2HE LYS 39 -9.739 -2.111 -6.130 301 HE3 LYS 39 3HE LYS 39 -9.829 -0.829 -7.334 302 HZ1 LYS 39 3HZ LYS 39 -9.017 -2.385 -8.993 303 HZ2 LYS 39 1HZ LYS 39 -10.428 -2.963 -8.268 304 HZ3 LYS 39 2HZ LYS 39 -8.930 -3.617 -7.840 305 H LEU 40 H LEU 40 -4.701 -4.266 -5.787 306 HA LEU 40 HA LEU 40 -5.299 -6.595 -7.256 307 HB2 LEU 40 2HB LEU 40 -2.649 -5.266 -6.665 308 HB3 LEU 40 3HB LEU 40 -2.826 -6.607 -7.783 309 HG LEU 40 HG LEU 40 -4.178 -3.916 -8.097 310 HD11 LEU 40 1HD1 LEU 40 -2.583 -3.545 -9.919 311 HD12 LEU 40 2HD1 LEU 40 -1.765 -5.054 -9.511 312 HD13 LEU 40 3HD1 LEU 40 -1.768 -3.715 -8.365 313 HD21 LEU 40 3HD2 LEU 40 -5.438 -5.747 -9.116 314 HD22 LEU 40 1HD2 LEU 40 -3.994 -6.274 -9.981 315 HD23 LEU 40 2HD2 LEU 40 -4.722 -4.710 -10.349 316 H ARG 41 H ARG 41 -3.883 -6.167 -4.106 317 HA ARG 41 HA ARG 41 -3.219 -9.034 -3.937 318 HB2 ARG 41 2HB ARG 41 -2.428 -6.796 -2.051 319 HB3 ARG 41 3HB ARG 41 -1.857 -8.461 -1.998 320 HG2 ARG 41 2HG ARG 41 -0.905 -8.078 -4.316 321 HG3 ARG 41 3HG ARG 41 -1.259 -6.366 -4.082 322 HD2 ARG 41 2HD ARG 41 0.547 -8.063 -2.358 323 HD3 ARG 41 3HD ARG 41 1.069 -6.867 -3.538 324 HE ARG 41 HE ARG 41 -0.449 -5.399 -1.891 325 HH11 ARG 41 1HH1 ARG 41 2.062 -7.677 -1.280 326 HH12 ARG 41 2HH1 ARG 41 2.599 -6.876 0.153 327 HH21 ARG 41 1HH2 ARG 41 0.239 -4.387 -0.013 328 HH22 ARG 41 2HH2 ARG 41 1.580 -5.032 0.865 329 H SER 42 H SER 42 -5.912 -7.585 -3.670 330 HA SER 42 HA SER 42 -7.882 -8.010 -2.625 331 HB2 SER 42 2HB SER 42 -6.354 -10.092 -1.037 332 HB3 SER 42 3HB SER 42 -8.109 -9.961 -1.159 333 HG SER 42 HG SER 42 -6.376 -11.172 -2.817 334 H LEU 43 H LEU 43 -5.587 -6.313 -1.340 335 HA LEU 43 HA LEU 43 -6.437 -6.162 1.426 336 HB2 LEU 43 2HB LEU 43 -4.499 -4.540 -0.219 337 HB3 LEU 43 3HB LEU 43 -4.837 -4.203 1.469 338 HG LEU 43 HG LEU 43 -3.768 -6.865 0.517 339 HD11 LEU 43 1HD1 LEU 43 -1.569 -6.115 1.279 340 HD12 LEU 43 2HD1 LEU 43 -2.221 -4.509 1.607 341 HD13 LEU 43 3HD1 LEU 43 -2.152 -5.113 -0.051 342 HD21 LEU 43 3HD2 LEU 43 -3.171 -7.138 2.871 343 HD22 LEU 43 1HD2 LEU 43 -4.907 -6.872 2.685 344 HD23 LEU 43 2HD2 LEU 43 -3.864 -5.555 3.235 345 HA PRO 44 HA PRO 44 -9.672 -3.217 0.620 346 HB2 PRO 44 2HB PRO 44 -10.205 -2.434 3.148 347 HB3 PRO 44 3HB PRO 44 -10.611 -4.050 2.557 348 HG2 PRO 44 2HG PRO 44 -8.255 -3.169 4.194 349 HG3 PRO 44 3HG PRO 44 -9.295 -4.591 4.410 350 HD2 PRO 44 2HD PRO 44 -6.853 -4.705 3.205 351 HD3 PRO 44 3HD PRO 44 -8.189 -5.798 2.782 352 H VAL 45 H VAL 45 -9.526 -1.222 -0.167 353 HA VAL 45 HA VAL 45 -7.423 0.596 0.673 354 HB VAL 45 HB VAL 45 -8.139 1.992 -1.194 355 HG11 VAL 45 1HG1 VAL 45 -8.031 -0.935 -1.943 356 HG12 VAL 45 2HG1 VAL 45 -6.646 0.129 -1.685 357 HG13 VAL 45 3HG1 VAL 45 -7.742 0.418 -3.037 358 HG21 VAL 45 3HG2 VAL 45 -10.552 1.716 -1.022 359 HG22 VAL 45 1HG2 VAL 45 -10.418 0.026 -1.511 360 HG23 VAL 45 2HG2 VAL 45 -10.012 1.309 -2.652 361 H SER 46 H SER 46 -9.827 0.005 2.436 362 HA SER 46 HA SER 46 -11.412 2.411 2.474 363 HB2 SER 46 2HB SER 46 -11.281 0.216 4.563 364 HB3 SER 46 3HB SER 46 -12.572 1.400 4.352 365 HG SER 46 HG SER 46 -12.918 0.435 2.240 366 H GLY 47 H GLY 47 -9.172 3.635 2.682 367 HA2 GLY 47 2HA GLY 47 -9.119 4.742 5.321 368 HA3 GLY 47 3HA GLY 47 -7.709 3.738 5.029 369 H THR 48 H THR 48 -6.916 6.056 5.593 370 HA THR 48 HA THR 48 -6.884 7.957 3.403 371 HB THR 48 HB THR 48 -5.479 9.328 4.843 372 HG1 THR 48 HG1 THR 48 -5.269 8.069 7.103 373 HG21 THR 48 3HG2 THR 48 -7.680 7.999 6.441 374 HG22 THR 48 1HG2 THR 48 -7.884 9.350 5.324 375 HG23 THR 48 2HG2 THR 48 -6.945 9.560 6.803 376 H LYS 49 H LYS 49 -4.649 8.885 2.753 377 HA LYS 49 HA LYS 49 -3.145 7.096 1.306 378 HB2 LYS 49 2HB LYS 49 -2.930 9.504 0.988 379 HB3 LYS 49 3HB LYS 49 -2.205 9.681 2.581 380 HG2 LYS 49 2HG LYS 49 -0.335 8.178 1.759 381 HG3 LYS 49 3HG LYS 49 -1.023 8.362 0.145 382 HD2 LYS 49 2HD LYS 49 -0.690 10.767 0.242 383 HD3 LYS 49 3HD LYS 49 -0.103 10.643 1.903 384 HE2 LYS 49 2HE LYS 49 1.758 9.204 1.069 385 HE3 LYS 49 3HE LYS 49 1.206 9.512 -0.576 386 HZ1 LYS 49 3HZ LYS 49 1.582 11.888 -0.181 387 HZ2 LYS 49 1HZ LYS 49 3.000 10.985 -0.009 388 HZ3 LYS 49 2HZ LYS 49 2.180 11.541 1.359 389 H THR 50 H THR 50 -2.455 8.241 4.600 390 HA THR 50 HA THR 50 -0.045 6.890 5.022 391 HB THR 50 HB THR 50 -2.116 7.426 7.168 392 HG1 THR 50 HG1 THR 50 -0.163 9.198 6.055 393 HG21 THR 50 3HG2 THR 50 -0.131 7.735 8.598 394 HG22 THR 50 1HG2 THR 50 0.908 7.313 7.240 395 HG23 THR 50 2HG2 THR 50 -0.197 6.111 7.913 396 H GLU 51 H GLU 51 -3.389 5.850 5.729 397 HA GLU 51 HA GLU 51 -2.787 3.381 6.918 398 HB2 GLU 51 2HB GLU 51 -5.212 4.084 5.241 399 HB3 GLU 51 3HB GLU 51 -5.091 2.727 6.351 400 HG2 GLU 51 2HG GLU 51 -5.008 5.648 7.091 401 HG3 GLU 51 3HG GLU 51 -6.366 4.551 7.324 402 H LEU 52 H LEU 52 -3.299 4.225 3.512 403 HA LEU 52 HA LEU 52 -3.256 1.666 2.390 404 HB2 LEU 52 2HB LEU 52 -2.054 4.122 1.104 405 HB3 LEU 52 3HB LEU 52 -2.739 2.724 0.297 406 HG LEU 52 HG LEU 52 -4.254 4.832 1.847 407 HD11 LEU 52 1HD1 LEU 52 -5.251 5.377 -0.306 408 HD12 LEU 52 2HD1 LEU 52 -4.246 4.156 -1.089 409 HD13 LEU 52 3HD1 LEU 52 -3.497 5.569 -0.344 410 HD21 LEU 52 3HD2 LEU 52 -5.333 2.393 0.438 411 HD22 LEU 52 1HD2 LEU 52 -6.291 3.669 1.187 412 HD23 LEU 52 2HD2 LEU 52 -5.270 2.633 2.183 413 H ILE 53 H ILE 53 -0.570 3.936 2.887 414 HA ILE 53 HA ILE 53 1.526 2.323 1.946 415 HB ILE 53 HB ILE 53 1.644 4.415 4.132 416 HG12 ILE 53 2HG1 ILE 53 2.118 4.753 1.157 417 HG13 ILE 53 3HG1 ILE 53 0.620 5.192 1.974 418 HG21 ILE 53 1HG2 ILE 53 3.660 3.044 4.076 419 HG22 ILE 53 2HG2 ILE 53 4.006 4.665 3.473 420 HG23 ILE 53 3HG2 ILE 53 3.824 3.325 2.340 421 HD11 ILE 53 3HD1 ILE 53 1.822 6.826 3.315 422 HD12 ILE 53 1HD1 ILE 53 2.038 7.126 1.592 423 HD13 ILE 53 2HD1 ILE 53 3.334 6.376 2.524 424 H GLU 54 H GLU 54 0.424 2.859 5.291 425 HA GLU 54 HA GLU 54 2.271 1.159 6.538 426 HB2 GLU 54 2HB GLU 54 -0.487 1.971 7.482 427 HB3 GLU 54 3HB GLU 54 0.767 1.263 8.491 428 HG2 GLU 54 2HG GLU 54 2.206 3.200 8.062 429 HG3 GLU 54 3HG GLU 54 0.940 3.915 7.067 430 H ARG 55 H ARG 55 -0.971 0.453 5.247 431 HA ARG 55 HA ARG 55 -1.022 -2.209 6.309 432 HB2 ARG 55 2HB ARG 55 -3.069 -0.868 5.692 433 HB3 ARG 55 3HB ARG 55 -2.681 -1.171 4.001 434 HG2 ARG 55 2HG ARG 55 -3.014 -3.514 4.255 435 HG3 ARG 55 3HG ARG 55 -3.074 -3.382 6.012 436 HD2 ARG 55 2HD ARG 55 -5.138 -1.943 5.702 437 HD3 ARG 55 3HD ARG 55 -5.118 -2.438 4.009 438 HE ARG 55 HE ARG 55 -5.295 -4.773 4.885 439 HH11 ARG 55 1HH1 ARG 55 -6.362 -2.131 6.820 440 HH12 ARG 55 2HH1 ARG 55 -7.537 -3.078 7.661 441 HH21 ARG 55 1HH2 ARG 55 -6.789 -5.989 5.991 442 HH22 ARG 55 2HH2 ARG 55 -7.755 -5.242 7.217 443 H LEU 56 H LEU 56 -0.161 -0.846 3.122 444 HA LEU 56 HA LEU 56 0.497 -3.185 1.762 445 HB2 LEU 56 2HB LEU 56 1.795 -0.461 1.777 446 HB3 LEU 56 3HB LEU 56 2.400 -1.751 0.757 447 HG LEU 56 HG LEU 56 -0.428 -0.685 0.613 448 HD11 LEU 56 1HD1 LEU 56 0.298 0.478 -1.424 449 HD12 LEU 56 2HD1 LEU 56 1.960 -0.025 -1.119 450 HD13 LEU 56 3HD1 LEU 56 1.151 1.069 0.001 451 HD21 LEU 56 3HD2 LEU 56 -0.468 -1.871 -1.547 452 HD22 LEU 56 1HD2 LEU 56 -0.194 -2.974 -0.200 453 HD23 LEU 56 2HD2 LEU 56 1.154 -2.493 -1.230 454 H ARG 57 H ARG 57 2.454 -1.308 4.038 455 HA ARG 57 HA ARG 57 4.749 -2.948 4.023 456 HB2 ARG 57 2HB ARG 57 3.678 -1.022 6.090 457 HB3 ARG 57 3HB ARG 57 5.269 -1.766 6.182 458 HG2 ARG 57 2HG ARG 57 6.001 -0.644 4.209 459 HG3 ARG 57 3HG ARG 57 4.364 -0.085 3.854 460 HD2 ARG 57 2HD ARG 57 5.836 1.672 4.821 461 HD3 ARG 57 3HD ARG 57 4.373 1.371 5.755 462 HE ARG 57 HE ARG 57 5.896 -0.061 7.198 463 HH11 ARG 57 1HH1 ARG 57 7.090 2.661 5.443 464 HH12 ARG 57 2HH1 ARG 57 8.270 3.048 6.647 465 HH21 ARG 57 1HH2 ARG 57 7.426 0.430 8.709 466 HH22 ARG 57 2HH2 ARG 57 8.470 1.786 8.462 467 H ALA 58 H ALA 58 2.160 -2.747 6.498 468 HA ALA 58 HA ALA 58 3.031 -4.746 8.196 469 HB1 ALA 58 3HB ALA 58 1.195 -3.215 8.733 470 HB2 ALA 58 1HB ALA 58 0.728 -4.894 9.003 471 HB3 ALA 58 2HB ALA 58 0.161 -4.040 7.566 472 H TYR 59 H TYR 59 0.895 -5.098 5.368 473 HA TYR 59 HA TYR 59 0.502 -7.892 5.646 474 HB2 TYR 59 2HB TYR 59 -1.016 -6.525 4.316 475 HB3 TYR 59 3HB TYR 59 0.279 -6.136 3.190 476 HD1 TYR 59 HD2 TYR 59 -1.549 -9.082 4.594 477 HD2 TYR 59 HD1 TYR 59 0.514 -7.423 1.259 478 HE1 TYR 59 HE2 TYR 59 -2.135 -11.058 3.252 479 HE2 TYR 59 HE1 TYR 59 -0.067 -9.392 -0.087 480 HH TYR 59 HH TYR 59 -2.336 -11.760 0.984 481 H GLN 60 H GLN 60 2.890 -6.007 3.796 482 HA GLN 60 HA GLN 60 4.047 -8.276 2.499 483 HB2 GLN 60 2HB GLN 60 4.166 -5.779 1.835 484 HB3 GLN 60 3HB GLN 60 5.479 -5.667 2.996 485 HG2 GLN 60 2HG GLN 60 5.498 -7.655 0.737 486 HG3 GLN 60 3HG GLN 60 6.089 -6.009 0.545 487 HE21 GLN 60 1HE2 GLN 60 7.489 -8.562 0.337 488 HE22 GLN 60 2HE2 GLN 60 8.786 -8.480 1.470 489 H ASP 61 H ASP 61 4.660 -6.594 5.505 490 HA ASP 61 HA ASP 61 7.136 -7.784 6.163 491 HB2 ASP 61 2HB ASP 61 6.454 -5.752 7.253 492 HB3 ASP 61 3HB ASP 61 4.987 -6.508 7.871 493 H GLN 62 H GLN 62 3.791 -8.630 7.133 494 HA GLN 62 HA GLN 62 4.494 -10.790 8.801 495 HB2 GLN 62 2HB GLN 62 2.134 -11.502 8.583 496 HB3 GLN 62 3HB GLN 62 2.298 -9.789 8.942 497 HG2 GLN 62 2HG GLN 62 1.931 -9.273 6.564 498 HG3 GLN 62 3HG GLN 62 1.706 -10.991 6.243 499 HE21 GLN 62 1HE2 GLN 62 0.353 -8.160 7.744 500 HE22 GLN 62 2HE2 GLN 62 -1.246 -8.781 7.930 501 H ILE 63 H ILE 63 3.778 -10.713 5.312 502 HA ILE 63 HA ILE 63 4.175 -13.560 5.022 503 HB ILE 63 HB ILE 63 4.067 -13.208 2.620 504 HG12 ILE 63 2HG1 ILE 63 4.007 -10.241 3.259 505 HG13 ILE 63 3HG1 ILE 63 5.338 -11.097 2.487 506 HG21 ILE 63 1HG2 ILE 63 1.809 -12.233 2.478 507 HG22 ILE 63 2HG2 ILE 63 1.987 -11.608 4.115 508 HG23 ILE 63 3HG2 ILE 63 1.971 -13.349 3.835 509 HD11 ILE 63 3HD1 ILE 63 2.572 -10.718 1.359 510 HD12 ILE 63 1HD1 ILE 63 3.880 -11.614 0.585 511 HD13 ILE 63 2HD1 ILE 63 4.040 -9.881 0.855 512 H SER 64 H SER 64 6.157 -10.736 5.032 513 HA SER 64 HA SER 64 8.389 -10.521 5.359 514 HB2 SER 64 2HB SER 64 8.284 -12.720 6.538 515 HB3 SER 64 3HB SER 64 8.653 -13.517 5.008 516 HG SER 64 HG SER 64 10.295 -12.136 6.733 517 HA PRO 65 HA PRO 65 9.842 -10.149 1.148 518 HB2 PRO 65 2HB PRO 65 12.399 -9.264 2.302 519 HB3 PRO 65 3HB PRO 65 11.243 -8.359 1.322 520 HG2 PRO 65 2HG PRO 65 11.607 -7.846 3.946 521 HG3 PRO 65 3HG PRO 65 10.027 -7.666 3.158 522 HD2 PRO 65 2HD PRO 65 11.047 -9.914 4.870 523 HD3 PRO 65 3HD PRO 65 9.454 -9.122 4.879 524 H VAL 66 H VAL 66 12.317 -10.491 0.182 525 HA VAL 66 HA VAL 66 12.694 -13.281 0.121 526 HB VAL 66 HB VAL 66 14.790 -12.786 -1.147 527 HG11 VAL 66 1HG1 VAL 66 13.660 -11.750 -3.064 528 HG12 VAL 66 2HG1 VAL 66 12.332 -11.258 -2.013 529 HG13 VAL 66 3HG1 VAL 66 12.649 -12.970 -2.292 530 HG21 VAL 66 3HG2 VAL 66 14.041 -9.901 -0.622 531 HG22 VAL 66 1HG2 VAL 66 15.281 -10.447 -1.754 532 HG23 VAL 66 2HG2 VAL 66 15.479 -10.731 -0.024 533 HA PRO 67 HA PRO 67 15.001 -13.676 3.992 534 HB2 PRO 67 2HB PRO 67 15.338 -16.470 3.045 535 HB3 PRO 67 3HB PRO 67 14.638 -15.869 4.552 536 HG2 PRO 67 2HG PRO 67 13.078 -16.883 2.637 537 HG3 PRO 67 3HG PRO 67 12.558 -15.474 3.585 538 HD2 PRO 67 2HD PRO 67 13.714 -15.565 0.810 539 HD3 PRO 67 3HD PRO 67 12.335 -14.625 1.423 540 H GLY 68 H GLY 68 16.141 -14.902 0.863 541 HA2 GLY 68 2HA GLY 68 18.845 -15.281 1.418 542 HA3 GLY 68 3HA GLY 68 18.209 -14.765 -0.138 543 H ALA 69 H ALA 69 17.375 -12.327 0.051 544 HA ALA 69 HA ALA 69 17.787 -10.119 0.331 545 HB1 ALA 69 3HB ALA 69 18.708 -9.342 2.443 546 HB2 ALA 69 1HB ALA 69 19.291 -10.968 2.804 547 HB3 ALA 69 2HB ALA 69 17.560 -10.654 2.713 548 HA PRO 70 HA PRO 70 21.873 -9.264 -1.345 549 HB2 PRO 70 2HB PRO 70 21.490 -6.426 -0.809 550 HB3 PRO 70 3HB PRO 70 21.459 -7.272 -2.358 551 HG2 PRO 70 2HG PRO 70 19.242 -6.159 -1.224 552 HG3 PRO 70 3HG PRO 70 19.183 -7.568 -2.300 553 HD2 PRO 70 2HD PRO 70 19.078 -7.471 0.702 554 HD3 PRO 70 3HD PRO 70 18.114 -8.449 -0.429 555 H LYS 71 H LYS 71 23.722 -9.610 -0.220 556 HA LYS 71 HA LYS 71 24.000 -8.890 2.540 557 HB2 LYS 71 2HB LYS 71 25.030 -10.921 1.679 558 HB3 LYS 71 3HB LYS 71 26.011 -9.988 0.556 559 HG2 LYS 71 2HG LYS 71 27.193 -8.959 2.445 560 HG3 LYS 71 3HG LYS 71 26.205 -9.895 3.569 561 HD2 LYS 71 2HD LYS 71 27.108 -11.970 2.667 562 HD3 LYS 71 3HD LYS 71 28.047 -11.067 1.477 563 HE2 LYS 71 2HE LYS 71 29.313 -10.000 3.290 564 HE3 LYS 71 3HE LYS 71 28.370 -10.895 4.480 565 HZ1 LYS 71 3HZ LYS 71 30.501 -11.940 4.076 566 HZ2 LYS 71 1HZ LYS 71 30.146 -12.097 2.427 567 HZ3 LYS 71 2HZ LYS 71 29.244 -12.951 3.575 568 H ALA 72 H ALA 72 25.177 -7.270 3.485 569 HA ALA 72 HA ALA 72 25.650 -4.892 2.026 570 HB1 ALA 72 3HB ALA 72 25.049 -4.932 4.414 571 HB2 ALA 72 1HB ALA 72 26.508 -3.993 4.113 572 HB3 ALA 72 2HB ALA 72 26.631 -5.615 4.791 573 HA PRO 73 HA PRO 73 29.747 -5.688 0.379 574 HB2 PRO 73 2HB PRO 73 29.985 -2.723 0.377 575 HB3 PRO 73 3HB PRO 73 30.125 -3.865 -0.966 576 HG2 PRO 73 2HG PRO 73 27.972 -2.305 -0.718 577 HG3 PRO 73 3HG PRO 73 27.823 -3.983 -1.280 578 HD2 PRO 73 2HD PRO 73 27.264 -2.838 1.440 579 HD3 PRO 73 3HD PRO 73 26.335 -4.030 0.508 580 H ALA 74 H ALA 74 31.985 -4.181 0.697 581 HA ALA 74 HA ALA 74 32.802 -4.739 3.383 582 HB1 ALA 74 3HB ALA 74 34.281 -3.251 1.211 583 HB2 ALA 74 1HB ALA 74 34.332 -4.991 1.491 584 HB3 ALA 74 2HB ALA 74 34.981 -3.884 2.700 585 H ALA 75 H ALA 75 30.998 -3.283 4.244 586 HA ALA 75 HA ALA 75 30.280 -1.437 5.347 587 HB1 ALA 75 3HB ALA 75 33.220 -0.768 5.427 588 HB2 ALA 75 1HB ALA 75 32.360 -1.794 6.575 589 HB3 ALA 75 2HB ALA 75 31.973 -0.077 6.465
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:29:26 PM GMT (wattos1)