NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524012 | 2l6r | 17322 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 59.150 6.560 9.033 2 H2 MET 1 HT2 MET 1 58.132 5.893 10.219 3 H3 MET 1 HT3 MET 1 59.147 7.200 10.604 4 HA MET 1 HA MET 1 57.415 8.515 10.203 5 HB2 MET 1 HB2 MET 1 57.740 7.552 7.347 6 HB3 MET 1 HB1 MET 1 57.090 9.105 7.874 7 HG2 MET 1 HG2 MET 1 59.302 9.611 8.934 8 HG3 MET 1 HG1 MET 1 59.932 8.115 8.246 9 HE1 MET 1 HE1 MET 1 60.375 8.629 4.619 10 HE2 MET 1 HE2 MET 1 59.316 7.590 5.568 11 HE3 MET 1 HE3 MET 1 60.961 7.892 6.117 12 H VAL 2 HN VAL 2 55.111 8.675 9.464 13 HA VAL 2 HA VAL 2 53.638 6.320 10.157 14 HB VAL 2 HB VAL 2 52.633 8.724 8.605 15 HG11 VAL 2 HG11 VAL 2 51.307 6.604 10.315 16 HG12 VAL 2 HG12 VAL 2 51.009 6.952 8.612 17 HG13 VAL 2 HG13 VAL 2 50.505 8.104 9.849 18 HG21 VAL 2 HG21 VAL 2 52.049 9.630 10.847 19 HG22 VAL 2 HG22 VAL 2 53.792 9.442 10.650 20 HG23 VAL 2 HG23 VAL 2 52.879 8.267 11.597 21 H ARG 3 HN ARG 3 54.221 7.881 6.992 22 HA ARG 3 HA ARG 3 52.750 6.140 5.362 23 HB2 ARG 3 HB2 ARG 3 55.444 7.426 4.823 24 HB3 ARG 3 HB1 ARG 3 54.445 6.660 3.587 25 HG2 ARG 3 HG2 ARG 3 52.603 8.229 4.118 26 HG3 ARG 3 HG1 ARG 3 53.628 9.012 5.321 27 HD2 ARG 3 HD2 ARG 3 55.226 9.660 3.598 28 HD3 ARG 3 HD1 ARG 3 54.309 8.780 2.375 29 HE ARG 3 HE ARG 3 52.469 10.566 3.422 30 HH11 ARG 3 HH21 ARG 3 55.644 10.738 2.090 31 HH12 ARG 3 HH22 ARG 3 55.428 12.327 1.436 32 HH21 ARG 3 HH11 ARG 3 52.168 12.641 2.576 33 HH22 ARG 3 HH12 ARG 3 53.461 13.404 1.712 34 H GLN 4 HN GLN 4 55.974 5.677 6.767 35 HA GLN 4 HA GLN 4 56.727 3.321 5.408 36 HB2 GLN 4 HB2 GLN 4 58.072 4.688 7.123 37 HB3 GLN 4 HB1 GLN 4 57.223 3.759 8.359 38 HG2 GLN 4 HG2 GLN 4 58.014 1.657 7.245 39 HG3 GLN 4 HG1 GLN 4 58.970 2.649 6.143 40 HE21 GLN 4 HE21 GLN 4 58.957 1.167 9.257 41 HE22 GLN 4 HE22 GLN 4 60.378 1.883 9.847 42 H GLU 5 HN GLU 5 54.672 3.729 8.281 43 HA GLU 5 HA GLU 5 54.263 0.890 8.674 44 HB2 GLU 5 HB2 GLU 5 53.945 2.698 10.425 45 HB3 GLU 5 HB1 GLU 5 52.457 3.142 9.589 46 HG2 GLU 5 HG2 GLU 5 51.828 1.625 11.339 47 HG3 GLU 5 HG1 GLU 5 51.728 0.720 9.829 48 H GLU 6 HN GLU 6 52.236 3.471 7.233 49 HA GLU 6 HA GLU 6 50.050 1.830 6.540 50 HB2 GLU 6 HB2 GLU 6 50.814 4.517 6.084 51 HB3 GLU 6 HB1 GLU 6 50.567 3.856 4.470 52 HG2 GLU 6 HG2 GLU 6 48.454 4.722 5.203 53 HG3 GLU 6 HG1 GLU 6 48.338 2.965 5.295 54 H LEU 7 HN LEU 7 53.255 1.892 5.216 55 HA LEU 7 HA LEU 7 52.511 0.698 2.658 56 HB2 LEU 7 HB2 LEU 7 54.688 2.046 3.368 57 HB3 LEU 7 HB1 LEU 7 55.275 0.454 3.839 58 HG LEU 7 HG LEU 7 54.184 1.149 1.091 59 HD11 LEU 7 HD11 LEU 7 57.050 0.673 1.960 60 HD12 LEU 7 HD12 LEU 7 56.352 2.268 1.673 61 HD13 LEU 7 HD13 LEU 7 56.495 1.116 0.345 62 HD21 LEU 7 HD21 LEU 7 55.442 -1.080 0.600 63 HD22 LEU 7 HD22 LEU 7 53.872 -1.176 1.392 64 HD23 LEU 7 HD23 LEU 7 55.348 -1.346 2.341 65 H ALA 8 HN ALA 8 54.041 -0.503 5.658 66 HA ALA 8 HA ALA 8 54.231 -3.222 4.909 67 HB1 ALA 8 HB1 ALA 8 53.671 -2.067 7.660 68 HB2 ALA 8 HB2 ALA 8 55.267 -2.340 6.959 69 HB3 ALA 8 HB3 ALA 8 54.224 -3.711 7.338 70 H ALA 9 HN ALA 9 51.459 -1.319 5.804 71 HA ALA 9 HA ALA 9 49.734 -3.574 6.435 72 HB1 ALA 9 HB1 ALA 9 49.124 -1.474 7.403 73 HB2 ALA 9 HB2 ALA 9 47.910 -1.804 6.166 74 HB3 ALA 9 HB3 ALA 9 49.208 -0.654 5.844 75 H ALA 10 HN ALA 10 49.864 -1.299 3.653 76 HA ALA 10 HA ALA 10 47.991 -2.731 2.060 77 HB1 ALA 10 HB1 ALA 10 50.212 -0.803 1.435 78 HB2 ALA 10 HB2 ALA 10 48.473 -0.590 1.238 79 HB3 ALA 10 HB3 ALA 10 49.368 -1.619 0.118 80 H ARG 11 HN ARG 11 51.389 -3.202 2.702 81 HA ARG 11 HA ARG 11 51.888 -5.087 0.568 82 HB2 ARG 11 HB2 ARG 11 53.510 -3.762 2.240 83 HB3 ARG 11 HB1 ARG 11 53.342 -5.216 3.216 84 HG2 ARG 11 HG2 ARG 11 55.110 -5.955 1.945 85 HG3 ARG 11 HG1 ARG 11 53.848 -6.352 0.780 86 HD2 ARG 11 HD2 ARG 11 54.147 -4.053 -0.203 87 HD3 ARG 11 HD1 ARG 11 55.531 -3.835 0.867 88 HE ARG 11 HE ARG 11 56.079 -6.216 -0.446 89 HH11 ARG 11 HH21 ARG 11 55.236 -2.998 -1.352 90 HH12 ARG 11 HH22 ARG 11 56.112 -3.048 -2.846 91 HH21 ARG 11 HH11 ARG 11 57.229 -6.299 -2.390 92 HH22 ARG 11 HH12 ARG 11 57.240 -4.915 -3.433 93 H ALA 12 HN ALA 12 51.147 -5.462 4.098 94 HA ALA 12 HA ALA 12 51.066 -8.271 4.157 95 HB1 ALA 12 HB1 ALA 12 49.528 -8.033 6.082 96 HB2 ALA 12 HB2 ALA 12 49.271 -6.342 5.653 97 HB3 ALA 12 HB3 ALA 12 50.861 -6.884 6.190 98 H ALA 13 HN ALA 13 49.058 -6.070 2.602 99 HA ALA 13 HA ALA 13 46.711 -7.771 2.394 100 HB1 ALA 13 HB1 ALA 13 47.303 -5.551 0.446 101 HB2 ALA 13 HB2 ALA 13 46.907 -5.161 2.119 102 HB3 ALA 13 HB3 ALA 13 45.756 -6.054 1.127 103 H LEU 14 HN LEU 14 49.526 -7.027 0.300 104 HA LEU 14 HA LEU 14 48.601 -8.510 -1.929 105 HB2 LEU 14 HB2 LEU 14 51.098 -7.279 -1.201 106 HB3 LEU 14 HB1 LEU 14 51.444 -8.877 -1.829 107 HG LEU 14 HG LEU 14 49.636 -6.916 -3.275 108 HD11 LEU 14 HD11 LEU 14 51.941 -5.985 -2.953 109 HD12 LEU 14 HD12 LEU 14 51.529 -6.287 -4.637 110 HD13 LEU 14 HD13 LEU 14 52.581 -7.408 -3.773 111 HD21 LEU 14 HD21 LEU 14 49.703 -9.503 -3.709 112 HD22 LEU 14 HD22 LEU 14 51.253 -9.161 -4.474 113 HD23 LEU 14 HD23 LEU 14 49.779 -8.400 -5.081 114 H HIS 15 HN HIS 15 50.044 -9.558 1.085 115 HA HIS 15 HA HIS 15 50.453 -12.303 0.175 116 HB2 HIS 15 HB2 HIS 15 51.760 -11.287 2.048 117 HB3 HIS 15 HB1 HIS 15 50.281 -11.220 3.005 118 HD1 HIS 15 HD1 HIS 15 52.298 -13.844 1.097 119 HD2 HIS 15 HD2 HIS 15 49.856 -13.527 4.461 120 HE1 HIS 15 HE1 HIS 15 52.309 -16.120 2.207 121 H ASP 16 HN ASP 16 47.915 -10.487 1.798 122 HA ASP 16 HA ASP 16 46.339 -12.825 2.503 123 HB2 ASP 16 HB2 ASP 16 45.350 -9.983 2.220 124 HB3 ASP 16 HB1 ASP 16 44.688 -11.260 3.237 125 H LEU 17 HN LEU 17 46.770 -10.999 -0.399 126 HA LEU 17 HA LEU 17 44.153 -11.851 -1.508 127 HB2 LEU 17 HB2 LEU 17 46.391 -10.179 -2.688 128 HB3 LEU 17 HB1 LEU 17 44.877 -10.529 -3.501 129 HG LEU 17 HG LEU 17 44.990 -9.244 -0.764 130 HD11 LEU 17 HD11 LEU 17 46.210 -7.861 -2.452 131 HD12 LEU 17 HD12 LEU 17 44.750 -7.079 -1.849 132 HD13 LEU 17 HD13 LEU 17 44.750 -7.838 -3.439 133 HD21 LEU 17 HD21 LEU 17 42.797 -10.022 -1.121 134 HD22 LEU 17 HD22 LEU 17 42.855 -9.706 -2.852 135 HD23 LEU 17 HD23 LEU 17 42.704 -8.369 -1.719 136 H MET 18 HN MET 18 47.505 -12.805 -1.602 137 HA MET 18 HA MET 18 47.085 -14.486 -4.003 138 HB2 MET 18 HB2 MET 18 49.382 -13.395 -2.532 139 HB3 MET 18 HB1 MET 18 49.612 -15.102 -2.895 140 HG2 MET 18 HG2 MET 18 50.508 -13.810 -4.736 141 HG3 MET 18 HG1 MET 18 49.035 -14.601 -5.294 142 HE1 MET 18 HE1 MET 18 50.335 -12.548 -6.809 143 HE2 MET 18 HE2 MET 18 49.298 -11.159 -7.124 144 HE3 MET 18 HE3 MET 18 48.681 -12.788 -7.388 145 H THR 19 HN THR 19 46.546 -14.757 -0.678 146 HA THR 19 HA THR 19 47.173 -17.650 -0.551 147 HB THR 19 HB THR 19 46.083 -17.310 1.806 148 HG1 THR 19 HG1 THR 19 46.482 -14.969 2.319 149 HG21 THR 19 HG21 THR 19 48.201 -16.417 2.675 150 HG22 THR 19 HG22 THR 19 48.641 -15.859 1.060 151 HG23 THR 19 HG23 THR 19 48.506 -17.585 1.390 152 H GLY 20 HN GLY 20 44.614 -15.787 -1.674 153 HA2 GLY 20 HA2 GLY 20 42.797 -17.232 -2.708 154 HA3 GLY 20 HA1 GLY 20 42.636 -17.990 -1.128 155 H LYS 21 HN LYS 21 42.666 -15.806 0.584 156 HA LYS 21 HA LYS 21 40.024 -14.887 0.527 157 HB2 LYS 21 HB2 LYS 21 42.389 -13.350 1.644 158 HB3 LYS 21 HB1 LYS 21 40.702 -13.178 2.128 159 HG2 LYS 21 HG2 LYS 21 40.881 -15.776 2.615 160 HG3 LYS 21 HG1 LYS 21 42.609 -15.444 2.669 161 HD2 LYS 21 HD2 LYS 21 42.033 -15.118 4.905 162 HD3 LYS 21 HD1 LYS 21 41.887 -13.475 4.285 163 HE2 LYS 21 HE2 LYS 21 39.468 -13.757 4.018 164 HE3 LYS 21 HE1 LYS 21 39.586 -15.438 4.532 165 HZ1 LYS 21 HZ1 LYS 21 39.885 -14.862 6.681 166 HZ2 LYS 21 HZ2 LYS 21 39.023 -13.479 6.199 167 HZ3 LYS 21 HZ3 LYS 21 40.718 -13.431 6.314 168 H ARG 22 HN ARG 22 39.087 -13.802 -1.109 169 HA ARG 22 HA ARG 22 40.642 -12.144 -2.911 170 HB2 ARG 22 HB2 ARG 22 38.588 -13.719 -3.377 171 HB3 ARG 22 HB1 ARG 22 37.636 -12.308 -2.931 172 HG2 ARG 22 HG2 ARG 22 38.854 -10.982 -4.641 173 HG3 ARG 22 HG1 ARG 22 39.728 -12.435 -5.118 174 HD2 ARG 22 HD2 ARG 22 36.781 -11.846 -5.398 175 HD3 ARG 22 HD1 ARG 22 37.929 -12.306 -6.655 176 HE ARG 22 HE ARG 22 37.933 -14.471 -4.920 177 HH11 ARG 22 HH21 ARG 22 35.581 -12.642 -6.655 178 HH12 ARG 22 HH22 ARG 22 34.488 -13.975 -6.839 179 HH21 ARG 22 HH11 ARG 22 36.521 -16.218 -5.149 180 HH22 ARG 22 HH12 ARG 22 35.020 -15.999 -5.985 181 H VAL 23 HN VAL 23 38.076 -11.574 -0.490 182 HA VAL 23 HA VAL 23 38.162 -8.661 -0.987 183 HB VAL 23 HB VAL 23 36.800 -10.159 1.270 184 HG11 VAL 23 HG11 VAL 23 37.029 -7.712 1.564 185 HG12 VAL 23 HG12 VAL 23 35.344 -8.167 1.304 186 HG13 VAL 23 HG13 VAL 23 36.280 -7.459 -0.013 187 HG21 VAL 23 HG21 VAL 23 35.931 -9.567 -1.568 188 HG22 VAL 23 HG22 VAL 23 34.765 -9.871 -0.281 189 HG23 VAL 23 HG23 VAL 23 35.926 -11.120 -0.732 190 H ALA 24 HN ALA 24 39.308 -7.186 0.161 191 HA ALA 24 HA ALA 24 40.598 -8.000 2.733 192 HB1 ALA 24 HB1 ALA 24 42.703 -6.846 1.952 193 HB2 ALA 24 HB2 ALA 24 42.006 -6.799 0.333 194 HB3 ALA 24 HB3 ALA 24 42.345 -8.349 1.103 195 H THR 25 HN THR 25 41.095 -6.186 4.100 196 HA THR 25 HA THR 25 39.525 -3.714 3.409 197 HB THR 25 HB THR 25 40.578 -4.547 6.126 198 HG1 THR 25 HG1 THR 25 38.185 -5.114 6.256 199 HG21 THR 25 HG21 THR 25 38.251 -2.784 5.337 200 HG22 THR 25 HG22 THR 25 39.860 -2.169 5.717 201 HG23 THR 25 HG23 THR 25 38.919 -3.004 6.954 202 H VAL 26 HN VAL 26 40.521 -1.635 3.703 203 HA VAL 26 HA VAL 26 43.395 -1.575 4.415 204 HB VAL 26 HB VAL 26 43.110 -1.921 1.877 205 HG11 VAL 26 HG11 VAL 26 42.398 -0.083 0.551 206 HG12 VAL 26 HG12 VAL 26 42.408 1.020 1.923 207 HG13 VAL 26 HG13 VAL 26 41.172 -0.234 1.808 208 HG21 VAL 26 HG21 VAL 26 45.193 -1.103 2.900 209 HG22 VAL 26 HG22 VAL 26 44.553 0.540 2.916 210 HG23 VAL 26 HG23 VAL 26 44.888 -0.262 1.381 211 H GLN 27 HN GLN 27 43.792 0.151 5.656 212 HA GLN 27 HA GLN 27 41.715 2.209 6.017 213 HB2 GLN 27 HB2 GLN 27 44.446 1.909 7.318 214 HB3 GLN 27 HB1 GLN 27 43.181 3.024 7.831 215 HG2 GLN 27 HG2 GLN 27 42.660 0.053 7.653 216 HG3 GLN 27 HG1 GLN 27 43.385 0.767 9.093 217 HE21 GLN 27 HE21 GLN 27 41.300 0.050 10.181 218 HE22 GLN 27 HE22 GLN 27 39.939 1.056 10.058 219 H LYS 28 HN LYS 28 41.707 3.940 4.648 220 HA LYS 28 HA LYS 28 44.339 5.047 3.715 221 HB2 LYS 28 HB2 LYS 28 43.095 3.727 1.950 222 HB3 LYS 28 HB1 LYS 28 41.811 4.932 2.058 223 HG2 LYS 28 HG2 LYS 28 43.338 6.703 1.409 224 HG3 LYS 28 HG1 LYS 28 44.708 5.593 1.459 225 HD2 LYS 28 HD2 LYS 28 43.653 4.246 -0.345 226 HD3 LYS 28 HD1 LYS 28 42.341 5.422 -0.427 227 HE2 LYS 28 HE2 LYS 28 43.927 5.989 -2.156 228 HE3 LYS 28 HE1 LYS 28 44.075 7.199 -0.881 229 HZ1 LYS 28 HZ1 LYS 28 46.000 6.133 -0.041 230 HZ2 LYS 28 HZ2 LYS 28 46.220 6.285 -1.719 231 HZ3 LYS 28 HZ3 LYS 28 45.788 4.785 -1.049 232 H ASP 29 HN ASP 29 44.451 7.147 4.656 233 HA ASP 29 HA ASP 29 43.719 9.305 5.331 234 HB2 ASP 29 HB2 ASP 29 41.359 8.959 3.477 235 HB3 ASP 29 HB1 ASP 29 42.271 10.420 3.854 236 H GLY 30 HN GLY 30 42.819 6.977 6.816 237 HA2 GLY 30 HA2 GLY 30 41.386 6.606 8.639 238 HA3 GLY 30 HA1 GLY 30 40.766 8.239 8.401 239 H ARG 31 HN ARG 31 40.589 6.498 5.522 240 HA ARG 31 HA ARG 31 37.723 5.765 6.044 241 HB2 ARG 31 HB2 ARG 31 37.946 7.699 4.513 242 HB3 ARG 31 HB1 ARG 31 38.983 6.740 3.459 243 HG2 ARG 31 HG2 ARG 31 36.641 6.794 2.643 244 HG3 ARG 31 HG1 ARG 31 37.151 5.161 3.053 245 HD2 ARG 31 HD2 ARG 31 35.789 5.059 4.941 246 HD3 ARG 31 HD1 ARG 31 35.786 6.813 5.160 247 HE ARG 31 HE ARG 31 34.457 6.444 2.757 248 HH11 ARG 31 HH21 ARG 31 34.204 5.221 5.971 249 HH12 ARG 31 HH22 ARG 31 32.487 5.002 5.894 250 HH21 ARG 31 HH11 ARG 31 32.218 6.165 2.638 251 HH22 ARG 31 HH12 ARG 31 31.364 5.537 4.008 252 H ARG 32 HN ARG 32 37.187 3.723 5.648 253 HA ARG 32 HA ARG 32 39.266 1.824 4.789 254 HB2 ARG 32 HB2 ARG 32 36.473 1.555 5.909 255 HB3 ARG 32 HB1 ARG 32 37.411 0.160 5.378 256 HG2 ARG 32 HG2 ARG 32 39.201 0.734 6.952 257 HG3 ARG 32 HG1 ARG 32 38.318 2.175 7.455 258 HD2 ARG 32 HD2 ARG 32 36.388 0.555 8.040 259 HD3 ARG 32 HD1 ARG 32 37.601 -0.720 7.923 260 HE ARG 32 HE ARG 32 38.758 1.152 9.612 261 HH11 ARG 32 HH21 ARG 32 35.781 -0.580 9.447 262 HH12 ARG 32 HH22 ARG 32 35.562 -0.631 11.164 263 HH21 ARG 32 HH11 ARG 32 38.489 1.095 11.855 264 HH22 ARG 32 HH12 ARG 32 37.095 0.318 12.528 265 H VAL 33 HN VAL 33 39.114 0.457 3.008 266 HA VAL 33 HA VAL 33 36.775 0.669 1.185 267 HB VAL 33 HB VAL 33 39.630 1.202 0.280 268 HG11 VAL 33 HG11 VAL 33 37.043 0.753 -1.236 269 HG12 VAL 33 HG12 VAL 33 38.534 -0.177 -1.371 270 HG13 VAL 33 HG13 VAL 33 38.473 1.482 -1.965 271 HG21 VAL 33 HG21 VAL 33 37.126 2.891 0.476 272 HG22 VAL 33 HG22 VAL 33 38.433 3.311 -0.631 273 HG23 VAL 33 HG23 VAL 33 38.734 3.251 1.103 274 H GLU 34 HN GLU 34 36.496 -1.194 -0.035 275 HA GLU 34 HA GLU 34 38.250 -3.505 0.749 276 HB2 GLU 34 HB2 GLU 34 35.291 -3.233 0.224 277 HB3 GLU 34 HB1 GLU 34 36.070 -4.808 0.083 278 HG2 GLU 34 HG2 GLU 34 36.850 -4.690 2.379 279 HG3 GLU 34 HG1 GLU 34 36.256 -3.036 2.535 280 H PHE 35 HN PHE 35 39.709 -3.711 -0.986 281 HA PHE 35 HA PHE 35 38.614 -3.652 -3.758 282 HB2 PHE 35 HB2 PHE 35 41.378 -3.579 -2.558 283 HB3 PHE 35 HB1 PHE 35 41.199 -4.161 -4.207 284 HD1 PHE 35 HD2 PHE 35 39.361 -2.534 -5.590 285 HD2 PHE 35 HD1 PHE 35 42.043 -1.360 -2.442 286 HE1 PHE 35 HE2 PHE 35 39.302 -0.197 -6.403 287 HE2 PHE 35 HE1 PHE 35 41.992 0.971 -3.265 288 HZ PHE 35 HZ PHE 35 40.617 1.557 -5.245 289 H THR 36 HN THR 36 38.629 -5.535 -5.062 290 HA THR 36 HA THR 36 39.128 -8.108 -3.595 291 HB THR 36 HB THR 36 37.581 -9.129 -5.210 292 HG1 THR 36 HG1 THR 36 36.514 -7.050 -6.374 293 HG21 THR 36 HG21 THR 36 36.673 -8.015 -3.164 294 HG22 THR 36 HG22 THR 36 35.530 -8.051 -4.505 295 HG23 THR 36 HG23 THR 36 36.395 -6.563 -4.124 296 H ALA 37 HN ALA 37 40.143 -9.878 -5.041 297 HA ALA 37 HA ALA 37 42.528 -9.004 -6.251 298 HB1 ALA 37 HB1 ALA 37 40.934 -11.504 -6.883 299 HB2 ALA 37 HB2 ALA 37 42.198 -11.351 -5.664 300 HB3 ALA 37 HB3 ALA 37 42.604 -11.228 -7.372 301 H THR 38 HN THR 38 39.379 -8.648 -7.478 302 HA THR 38 HA THR 38 39.797 -8.921 -10.276 303 HB THR 38 HB THR 38 37.873 -7.364 -10.521 304 HG1 THR 38 HG1 THR 38 38.701 -6.219 -8.502 305 HG21 THR 38 HG21 THR 38 37.209 -9.130 -8.181 306 HG22 THR 38 HG22 THR 38 37.720 -9.866 -9.702 307 HG23 THR 38 HG23 THR 38 36.287 -8.840 -9.655 308 H SER 39 HN SER 39 40.761 -6.407 -8.044 309 HA SER 39 HA SER 39 41.961 -4.883 -10.344 310 HB2 SER 39 HB2 SER 39 41.388 -2.818 -9.326 311 HB3 SER 39 HB1 SER 39 39.928 -3.794 -9.203 312 HG SER 39 HG SER 39 41.799 -3.980 -7.143 313 H VAL 40 HN VAL 40 43.527 -6.766 -9.234 314 HA VAL 40 HA VAL 40 44.994 -5.723 -6.922 315 HB VAL 40 HB VAL 40 44.850 -8.124 -7.147 316 HG11 VAL 40 HG11 VAL 40 45.761 -9.332 -9.076 317 HG12 VAL 40 HG12 VAL 40 46.327 -7.829 -9.800 318 HG13 VAL 40 HG13 VAL 40 44.596 -8.144 -9.664 319 HG21 VAL 40 HG21 VAL 40 47.681 -7.388 -7.951 320 HG22 VAL 40 HG22 VAL 40 47.167 -8.680 -6.868 321 HG23 VAL 40 HG23 VAL 40 47.031 -6.994 -6.361 322 H SER 41 HN SER 41 45.060 -5.038 -10.265 323 HA SER 41 HA SER 41 47.902 -4.547 -10.534 324 HB2 SER 41 HB2 SER 41 47.228 -3.294 -12.577 325 HB3 SER 41 HB1 SER 41 46.516 -4.904 -12.513 326 HG SER 41 HG SER 41 45.331 -2.388 -12.043 327 H ASP 42 HN ASP 42 45.080 -2.440 -9.919 328 HA ASP 42 HA ASP 42 46.465 0.026 -9.806 329 HB2 ASP 42 HB2 ASP 42 44.594 0.853 -8.500 330 HB3 ASP 42 HB1 ASP 42 43.965 -0.267 -9.709 331 H LEU 43 HN LEU 43 46.097 -2.524 -7.301 332 HA LEU 43 HA LEU 43 47.219 -0.997 -5.165 333 HB2 LEU 43 HB2 LEU 43 46.008 -3.294 -5.102 334 HB3 LEU 43 HB1 LEU 43 47.582 -3.980 -5.485 335 HG LEU 43 HG LEU 43 48.538 -2.930 -3.445 336 HD11 LEU 43 HD11 LEU 43 45.794 -1.712 -3.323 337 HD12 LEU 43 HD12 LEU 43 47.348 -1.027 -2.853 338 HD13 LEU 43 HD13 LEU 43 46.541 -2.172 -1.792 339 HD21 LEU 43 HD21 LEU 43 47.545 -4.465 -1.902 340 HD22 LEU 43 HD22 LEU 43 47.406 -5.218 -3.492 341 HD23 LEU 43 HD23 LEU 43 46.004 -4.440 -2.760 342 H LYS 44 HN LYS 44 48.663 -2.927 -7.754 343 HA LYS 44 HA LYS 44 51.357 -2.836 -6.726 344 HB2 LYS 44 HB2 LYS 44 50.066 -3.483 -9.347 345 HB3 LYS 44 HB1 LYS 44 51.782 -3.086 -9.391 346 HG2 LYS 44 HG2 LYS 44 52.337 -4.876 -7.917 347 HG3 LYS 44 HG1 LYS 44 50.652 -5.133 -7.471 348 HD2 LYS 44 HD2 LYS 44 50.114 -6.021 -9.617 349 HD3 LYS 44 HD1 LYS 44 51.630 -5.449 -10.313 350 HE2 LYS 44 HE2 LYS 44 51.502 -7.481 -8.076 351 HE3 LYS 44 HE1 LYS 44 51.579 -7.926 -9.781 352 HZ1 LYS 44 HZ1 LYS 44 53.727 -7.546 -8.263 353 HZ2 LYS 44 HZ2 LYS 44 53.536 -5.978 -8.889 354 HZ3 LYS 44 HZ3 LYS 44 53.717 -7.300 -9.941 355 H LYS 45 HN LYS 45 49.541 -0.700 -8.935 356 HA LYS 45 HA LYS 45 51.797 1.016 -9.482 357 HB2 LYS 45 HB2 LYS 45 49.847 0.888 -10.963 358 HB3 LYS 45 HB1 LYS 45 48.814 1.516 -9.684 359 HG2 LYS 45 HG2 LYS 45 51.201 3.199 -10.315 360 HG3 LYS 45 HG1 LYS 45 50.009 3.093 -11.604 361 HD2 LYS 45 HD2 LYS 45 49.102 3.677 -8.788 362 HD3 LYS 45 HD1 LYS 45 49.771 4.971 -9.779 363 HE2 LYS 45 HE2 LYS 45 48.080 4.657 -11.467 364 HE3 LYS 45 HE1 LYS 45 47.508 3.178 -10.696 365 HZ1 LYS 45 HZ1 LYS 45 46.285 5.412 -10.286 366 HZ2 LYS 45 HZ2 LYS 45 47.533 5.685 -9.165 367 HZ3 LYS 45 HZ3 LYS 45 46.520 4.331 -9.000 368 H TYR 46 HN TYR 46 49.155 1.098 -7.122 369 HA TYR 46 HA TYR 46 49.658 3.686 -6.049 370 HB2 TYR 46 HB2 TYR 46 47.638 2.382 -5.541 371 HB3 TYR 46 HB1 TYR 46 48.611 1.184 -4.700 372 HD1 TYR 46 HD1 TYR 46 48.247 4.934 -4.682 373 HD2 TYR 46 HD2 TYR 46 48.538 1.319 -2.372 374 HE1 TYR 46 HE1 TYR 46 48.027 6.248 -2.593 375 HE2 TYR 46 HE2 TYR 46 48.316 2.634 -0.285 376 HH TYR 46 HH TYR 46 47.183 5.056 0.248 377 H ILE 47 HN ILE 47 50.841 0.490 -4.956 378 HA ILE 47 HA ILE 47 52.490 1.346 -2.844 379 HB ILE 47 HB ILE 47 52.988 -0.860 -4.864 380 HG12 ILE 47 HG12 ILE 47 51.957 -1.195 -2.042 381 HG13 ILE 47 HG11 ILE 47 50.847 -0.828 -3.360 382 HG21 ILE 47 HG21 ILE 47 55.068 -0.433 -3.777 383 HG22 ILE 47 HG22 ILE 47 54.364 -1.807 -2.927 384 HG23 ILE 47 HG23 ILE 47 54.285 -0.196 -2.214 385 HD11 ILE 47 HD11 ILE 47 52.816 -3.056 -3.765 386 HD12 ILE 47 HD12 ILE 47 51.186 -2.866 -4.402 387 HD13 ILE 47 HD13 ILE 47 51.420 -3.348 -2.724 388 H ALA 48 HN ALA 48 53.384 0.903 -6.274 389 HA ALA 48 HA ALA 48 56.038 1.774 -6.144 390 HB1 ALA 48 HB1 ALA 48 55.798 2.385 -8.522 391 HB2 ALA 48 HB2 ALA 48 54.044 2.313 -8.363 392 HB3 ALA 48 HB3 ALA 48 55.007 0.846 -8.184 393 H GLU 49 HN GLU 49 53.090 3.749 -6.441 394 HA GLU 49 HA GLU 49 54.338 6.256 -6.817 395 HB2 GLU 49 HB2 GLU 49 51.826 5.616 -6.896 396 HB3 GLU 49 HB1 GLU 49 51.840 5.903 -5.156 397 HG2 GLU 49 HG2 GLU 49 52.834 8.174 -5.630 398 HG3 GLU 49 HG1 GLU 49 52.541 7.872 -7.343 399 H LEU 50 HN LEU 50 54.013 4.297 -3.930 400 HA LEU 50 HA LEU 50 54.662 6.506 -2.117 401 HB2 LEU 50 HB2 LEU 50 54.828 3.542 -1.523 402 HB3 LEU 50 HB1 LEU 50 54.653 4.861 -0.367 403 HG LEU 50 HG LEU 50 52.614 3.966 -2.425 404 HD11 LEU 50 HD11 LEU 50 52.355 4.135 0.582 405 HD12 LEU 50 HD12 LEU 50 52.928 2.680 -0.232 406 HD13 LEU 50 HD13 LEU 50 51.307 3.289 -0.554 407 HD21 LEU 50 HD21 LEU 50 52.352 6.315 -2.369 408 HD22 LEU 50 HD22 LEU 50 52.770 6.414 -0.658 409 HD23 LEU 50 HD23 LEU 50 51.210 5.756 -1.149 410 H GLU 51 HN GLU 51 56.464 3.966 -3.794 411 HA GLU 51 HA GLU 51 58.895 4.313 -2.278 412 HB2 GLU 51 HB2 GLU 51 58.229 3.111 -4.964 413 HB3 GLU 51 HB1 GLU 51 59.914 3.318 -4.486 414 HG2 GLU 51 HG2 GLU 51 57.871 1.908 -2.748 415 HG3 GLU 51 HG1 GLU 51 58.904 1.062 -3.901 416 H VAL 52 HN VAL 52 57.426 6.026 -4.946 417 HA VAL 52 HA VAL 52 59.881 7.511 -5.584 418 HB VAL 52 HB VAL 52 57.031 8.055 -6.473 419 HG11 VAL 52 HG11 VAL 52 59.758 8.956 -7.431 420 HG12 VAL 52 HG12 VAL 52 58.411 9.965 -6.905 421 HG13 VAL 52 HG13 VAL 52 58.312 9.086 -8.431 422 HG21 VAL 52 HG21 VAL 52 57.692 6.808 -8.527 423 HG22 VAL 52 HG22 VAL 52 57.701 5.775 -7.097 424 HG23 VAL 52 HG23 VAL 52 59.220 6.384 -7.754 425 H GLN 53 HN GLN 53 57.021 7.910 -3.579 426 HA GLN 53 HA GLN 53 57.428 10.755 -3.143 427 HB2 GLN 53 HB2 GLN 53 55.196 9.800 -2.919 428 HB3 GLN 53 HB1 GLN 53 55.767 8.682 -1.679 429 HG2 GLN 53 HG2 GLN 53 56.194 10.461 -0.144 430 HG3 GLN 53 HG1 GLN 53 55.975 11.682 -1.396 431 HE21 GLN 53 HE21 GLN 53 53.928 8.808 -0.709 432 HE22 GLN 53 HE22 GLN 53 52.518 9.698 -0.391 433 H THR 54 HN THR 54 58.458 7.760 -1.612 434 HA THR 54 HA THR 54 59.513 9.162 0.757 435 HB THR 54 HB THR 54 60.567 6.746 1.075 436 HG1 THR 54 HG1 THR 54 60.180 5.749 -0.771 437 HG21 THR 54 HG21 THR 54 57.563 7.159 1.178 438 HG22 THR 54 HG22 THR 54 58.698 7.711 2.409 439 HG23 THR 54 HG23 THR 54 58.492 5.986 2.111 440 H GLY 55 HN GLY 55 60.450 9.460 -2.213 441 HA2 GLY 55 HA2 GLY 55 63.307 8.737 -1.952 442 HA3 GLY 55 HA1 GLY 55 62.540 9.436 -3.378 443 H MET 56 HN MET 56 61.579 11.752 -2.846 444 HA MET 56 HA MET 56 63.851 13.381 -2.033 445 HB2 MET 56 HB2 MET 56 61.010 14.075 -2.826 446 HB3 MET 56 HB1 MET 56 62.236 15.283 -2.448 447 HG2 MET 56 HG2 MET 56 62.215 14.971 -4.850 448 HG3 MET 56 HG1 MET 56 63.698 14.260 -4.218 449 HE1 MET 56 HE1 MET 56 60.166 13.898 -5.121 450 HE2 MET 56 HE2 MET 56 59.913 12.463 -4.131 451 HE3 MET 56 HE3 MET 56 59.966 12.316 -5.885 452 H THR 57 HN THR 57 63.793 14.943 -0.270 453 HA THR 57 HA THR 57 62.667 13.829 2.154 454 HB THR 57 HB THR 57 64.828 15.266 1.839 455 HG1 THR 57 HG1 THR 57 64.591 14.853 3.873 456 HG21 THR 57 HG21 THR 57 63.231 17.212 0.931 457 HG22 THR 57 HG22 THR 57 64.672 17.583 1.876 458 HG23 THR 57 HG23 THR 57 63.090 17.566 2.653 459 H GLN 58 HN GLN 58 60.790 14.744 -0.032 460 HA GLN 58 HA GLN 58 58.621 15.616 -0.066 461 HB2 GLN 58 HB2 GLN 58 58.788 14.831 2.460 462 HB3 GLN 58 HB1 GLN 58 58.866 16.561 2.786 463 HG2 GLN 58 HG2 GLN 58 56.767 16.874 1.482 464 HG3 GLN 58 HG1 GLN 58 56.673 15.127 1.259 465 HE21 GLN 58 HE21 GLN 58 54.696 16.738 2.721 466 HE22 GLN 58 HE22 GLN 58 54.708 16.191 4.327 467 H ARG 59 HN ARG 59 60.767 17.675 1.932 468 HA ARG 59 HA ARG 59 61.345 19.925 1.654 469 HB2 ARG 59 HB2 ARG 59 61.407 18.967 -0.842 470 HB3 ARG 59 HB1 ARG 59 60.010 20.022 -1.042 471 HG2 ARG 59 HG2 ARG 59 61.356 21.918 -0.136 472 HG3 ARG 59 HG1 ARG 59 62.755 20.850 -0.056 473 HD2 ARG 59 HD2 ARG 59 61.856 20.514 -2.683 474 HD3 ARG 59 HD1 ARG 59 61.604 22.232 -2.393 475 HE ARG 59 HE ARG 59 64.089 21.078 -2.981 476 HH11 ARG 59 HH21 ARG 59 62.729 22.947 -0.412 477 HH12 ARG 59 HH22 ARG 59 64.253 23.599 0.084 478 HH21 ARG 59 HH11 ARG 59 66.067 21.928 -2.346 479 HH22 ARG 59 HH12 ARG 59 66.137 23.027 -1.010 480 H ARG 60 HN ARG 60 58.293 19.701 -0.206 481 HA ARG 60 HA ARG 60 56.687 20.834 1.903 482 HB2 ARG 60 HB2 ARG 60 56.296 23.050 0.890 483 HB3 ARG 60 HB1 ARG 60 57.992 22.852 1.329 484 HG2 ARG 60 HG2 ARG 60 58.422 22.097 -1.044 485 HG3 ARG 60 HG1 ARG 60 56.772 22.580 -1.429 486 HD2 ARG 60 HD2 ARG 60 57.742 24.836 -0.136 487 HD3 ARG 60 HD1 ARG 60 59.166 24.272 -1.006 488 HE ARG 60 HE ARG 60 57.044 25.681 -2.183 489 HH11 ARG 60 HH21 ARG 60 58.644 22.654 -2.646 490 HH12 ARG 60 HH22 ARG 60 58.176 22.520 -4.305 491 HH21 ARG 60 HH11 ARG 60 56.446 25.518 -4.342 492 HH22 ARG 60 HH12 ARG 60 56.941 24.138 -5.265 493 H ARG 61 HN ARG 61 54.879 22.243 0.099 494 HA ARG 61 HA ARG 61 53.203 20.156 -0.743 495 HB2 ARG 61 HB2 ARG 61 53.433 22.873 -2.072 496 HB3 ARG 61 HB1 ARG 61 52.022 21.815 -2.074 497 HG2 ARG 61 HG2 ARG 61 51.942 21.995 0.420 498 HG3 ARG 61 HG1 ARG 61 53.262 23.162 0.342 499 HD2 ARG 61 HD2 ARG 61 51.829 24.555 -1.199 500 HD3 ARG 61 HD1 ARG 61 50.497 23.447 -0.864 501 HE ARG 61 HE ARG 61 51.362 24.224 1.652 502 HH11 ARG 61 HH21 ARG 61 50.396 25.798 -1.260 503 HH12 ARG 61 HH22 ARG 61 49.747 27.185 -0.451 504 HH21 ARG 61 HH11 ARG 61 50.521 26.027 2.724 505 HH22 ARG 61 HH12 ARG 61 49.818 27.316 1.804 506 H GLY 62 HN GLY 62 52.568 19.981 -3.248 507 HA2 GLY 62 HA2 GLY 62 54.807 18.704 -4.538 508 HA3 GLY 62 HA1 GLY 62 53.230 18.994 -5.276 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 56.386 10.857 11.288 2 H2 MET 1 HT2 MET 1 56.392 9.245 11.827 3 H3 MET 1 HT3 MET 1 54.943 10.130 11.806 4 HA MET 1 HA MET 1 55.336 10.349 9.303 5 HB2 MET 1 HB2 MET 1 57.156 8.049 10.073 6 HB3 MET 1 HB1 MET 1 56.597 8.349 8.427 7 HG2 MET 1 HG2 MET 1 57.654 10.540 8.414 8 HG3 MET 1 HG1 MET 1 58.111 10.366 10.107 9 HE1 MET 1 HE1 MET 1 59.043 10.029 6.563 10 HE2 MET 1 HE2 MET 1 58.260 8.456 6.683 11 HE3 MET 1 HE3 MET 1 59.994 8.548 6.389 12 H VAL 2 HN VAL 2 54.297 8.527 7.949 13 HA VAL 2 HA VAL 2 52.795 6.543 9.562 14 HB VAL 2 HB VAL 2 51.405 8.581 7.796 15 HG11 VAL 2 HG11 VAL 2 50.468 6.222 9.437 16 HG12 VAL 2 HG12 VAL 2 50.173 6.548 7.730 17 HG13 VAL 2 HG13 VAL 2 49.373 7.521 8.964 18 HG21 VAL 2 HG21 VAL 2 51.621 8.309 10.806 19 HG22 VAL 2 HG22 VAL 2 50.380 9.282 10.016 20 HG23 VAL 2 HG23 VAL 2 52.083 9.694 9.817 21 H ARG 3 HN ARG 3 53.499 7.943 6.372 22 HA ARG 3 HA ARG 3 52.442 5.936 4.717 23 HB2 ARG 3 HB2 ARG 3 55.079 7.396 4.356 24 HB3 ARG 3 HB1 ARG 3 54.169 6.579 3.084 25 HG2 ARG 3 HG2 ARG 3 52.285 8.105 3.403 26 HG3 ARG 3 HG1 ARG 3 53.119 8.889 4.745 27 HD2 ARG 3 HD2 ARG 3 54.937 9.571 3.209 28 HD3 ARG 3 HD1 ARG 3 54.077 8.812 1.868 29 HE ARG 3 HE ARG 3 52.220 10.572 2.929 30 HH11 ARG 3 HH21 ARG 3 55.481 10.747 1.821 31 HH12 ARG 3 HH22 ARG 3 55.348 12.388 1.280 32 HH21 ARG 3 HH11 ARG 3 52.029 12.712 2.229 33 HH22 ARG 3 HH12 ARG 3 53.394 13.499 1.511 34 H GLN 4 HN GLN 4 55.379 5.910 6.670 35 HA GLN 4 HA GLN 4 56.609 3.599 5.559 36 HB2 GLN 4 HB2 GLN 4 57.558 5.220 7.307 37 HB3 GLN 4 HB1 GLN 4 56.645 4.296 8.501 38 HG2 GLN 4 HG2 GLN 4 58.848 3.344 8.441 39 HG3 GLN 4 HG1 GLN 4 57.788 2.214 7.599 40 HE21 GLN 4 HE21 GLN 4 59.783 1.463 6.426 41 HE22 GLN 4 HE22 GLN 4 60.360 2.368 5.111 42 H GLU 5 HN GLU 5 54.349 3.884 8.316 43 HA GLU 5 HA GLU 5 54.124 1.037 8.709 44 HB2 GLU 5 HB2 GLU 5 52.380 3.366 9.549 45 HB3 GLU 5 HB1 GLU 5 52.056 1.698 10.027 46 HG2 GLU 5 HG2 GLU 5 53.338 2.763 11.793 47 HG3 GLU 5 HG1 GLU 5 54.376 1.589 10.984 48 H GLU 6 HN GLU 6 51.998 3.423 7.100 49 HA GLU 6 HA GLU 6 50.002 1.578 6.292 50 HB2 GLU 6 HB2 GLU 6 50.888 4.283 5.321 51 HB3 GLU 6 HB1 GLU 6 49.803 3.354 4.289 52 HG2 GLU 6 HG2 GLU 6 48.636 4.901 5.906 53 HG3 GLU 6 HG1 GLU 6 48.147 3.212 6.036 54 H LEU 7 HN LEU 7 53.263 1.940 5.158 55 HA LEU 7 HA LEU 7 52.772 0.774 2.533 56 HB2 LEU 7 HB2 LEU 7 54.751 2.149 2.829 57 HB3 LEU 7 HB1 LEU 7 55.296 1.147 4.168 58 HG LEU 7 HG LEU 7 55.718 -0.723 2.710 59 HD11 LEU 7 HD11 LEU 7 55.333 -0.319 0.169 60 HD12 LEU 7 HD12 LEU 7 54.221 0.947 0.688 61 HD13 LEU 7 HD13 LEU 7 53.936 -0.727 1.161 62 HD21 LEU 7 HD21 LEU 7 56.681 1.890 1.508 63 HD22 LEU 7 HD22 LEU 7 57.346 0.309 1.100 64 HD23 LEU 7 HD23 LEU 7 57.496 0.930 2.743 65 H ALA 8 HN ALA 8 54.181 -0.436 5.589 66 HA ALA 8 HA ALA 8 54.484 -3.135 4.696 67 HB1 ALA 8 HB1 ALA 8 54.641 -3.708 7.087 68 HB2 ALA 8 HB2 ALA 8 54.004 -2.120 7.517 69 HB3 ALA 8 HB3 ALA 8 55.579 -2.256 6.737 70 H ALA 9 HN ALA 9 51.708 -1.338 5.778 71 HA ALA 9 HA ALA 9 50.075 -3.657 6.417 72 HB1 ALA 9 HB1 ALA 9 49.439 -0.738 5.936 73 HB2 ALA 9 HB2 ALA 9 49.458 -1.601 7.474 74 HB3 ALA 9 HB3 ALA 9 48.194 -1.936 6.291 75 H ALA 10 HN ALA 10 50.011 -1.299 3.701 76 HA ALA 10 HA ALA 10 48.106 -2.723 2.152 77 HB1 ALA 10 HB1 ALA 10 49.463 -1.564 0.181 78 HB2 ALA 10 HB2 ALA 10 50.240 -0.719 1.519 79 HB3 ALA 10 HB3 ALA 10 48.499 -0.596 1.296 80 H ARG 11 HN ARG 11 51.514 -3.205 2.686 81 HA ARG 11 HA ARG 11 51.945 -5.042 0.493 82 HB2 ARG 11 HB2 ARG 11 53.609 -3.761 2.203 83 HB3 ARG 11 HB1 ARG 11 53.517 -5.297 3.053 84 HG2 ARG 11 HG2 ARG 11 55.269 -5.798 1.642 85 HG3 ARG 11 HG1 ARG 11 53.953 -6.251 0.566 86 HD2 ARG 11 HD2 ARG 11 54.090 -3.647 -0.072 87 HD3 ARG 11 HD1 ARG 11 55.754 -3.858 0.464 88 HE ARG 11 HE ARG 11 54.729 -4.674 -2.049 89 HH11 ARG 11 HH21 ARG 11 56.555 -5.992 0.571 90 HH12 ARG 11 HH22 ARG 11 57.171 -7.310 -0.361 91 HH21 ARG 11 HH11 ARG 11 55.547 -6.371 -3.270 92 HH22 ARG 11 HH12 ARG 11 56.612 -7.520 -2.531 93 H ALA 12 HN ALA 12 51.312 -5.482 4.034 94 HA ALA 12 HA ALA 12 51.218 -8.295 4.037 95 HB1 ALA 12 HB1 ALA 12 49.735 -8.086 6.011 96 HB2 ALA 12 HB2 ALA 12 49.488 -6.382 5.629 97 HB3 ALA 12 HB3 ALA 12 51.086 -6.957 6.106 98 H ALA 13 HN ALA 13 49.177 -6.051 2.593 99 HA ALA 13 HA ALA 13 46.815 -7.733 2.419 100 HB1 ALA 13 HB1 ALA 13 47.021 -5.118 2.209 101 HB2 ALA 13 HB2 ALA 13 45.829 -5.976 1.234 102 HB3 ALA 13 HB3 ALA 13 47.356 -5.466 0.513 103 H LEU 14 HN LEU 14 49.569 -6.965 0.262 104 HA LEU 14 HA LEU 14 48.553 -8.375 -1.978 105 HB2 LEU 14 HB2 LEU 14 51.072 -7.159 -1.309 106 HB3 LEU 14 HB1 LEU 14 51.402 -8.740 -1.990 107 HG LEU 14 HG LEU 14 49.540 -6.752 -3.324 108 HD11 LEU 14 HD11 LEU 14 51.390 -6.084 -4.731 109 HD12 LEU 14 HD12 LEU 14 52.473 -7.212 -3.919 110 HD13 LEU 14 HD13 LEU 14 51.845 -5.811 -3.052 111 HD21 LEU 14 HD21 LEU 14 49.665 -8.185 -5.183 112 HD22 LEU 14 HD22 LEU 14 49.588 -9.312 -3.832 113 HD23 LEU 14 HD23 LEU 14 51.135 -8.970 -4.602 114 H HIS 15 HN HIS 15 50.149 -9.519 0.934 115 HA HIS 15 HA HIS 15 50.499 -12.232 -0.082 116 HB2 HIS 15 HB2 HIS 15 51.905 -11.274 1.748 117 HB3 HIS 15 HB1 HIS 15 50.479 -11.242 2.786 118 HD1 HIS 15 HD1 HIS 15 50.324 -13.242 4.252 119 HD2 HIS 15 HD2 HIS 15 52.196 -14.149 0.638 120 HE1 HIS 15 HE1 HIS 15 50.936 -15.697 4.357 121 H ASP 16 HN ASP 16 48.053 -10.478 1.746 122 HA ASP 16 HA ASP 16 46.526 -12.849 2.445 123 HB2 ASP 16 HB2 ASP 16 45.533 -9.995 2.335 124 HB3 ASP 16 HB1 ASP 16 44.896 -11.317 3.309 125 H LEU 17 HN LEU 17 46.851 -11.023 -0.444 126 HA LEU 17 HA LEU 17 44.143 -11.770 -1.410 127 HB2 LEU 17 HB2 LEU 17 46.349 -10.086 -2.616 128 HB3 LEU 17 HB1 LEU 17 44.864 -10.477 -3.466 129 HG LEU 17 HG LEU 17 44.789 -9.251 -0.704 130 HD11 LEU 17 HD11 LEU 17 45.208 -7.870 -3.355 131 HD12 LEU 17 HD12 LEU 17 46.099 -7.650 -1.851 132 HD13 LEU 17 HD13 LEU 17 44.450 -7.044 -1.995 133 HD21 LEU 17 HD21 LEU 17 42.642 -10.014 -1.376 134 HD22 LEU 17 HD22 LEU 17 42.876 -9.488 -3.040 135 HD23 LEU 17 HD23 LEU 17 42.625 -8.298 -1.772 136 H MET 18 HN MET 18 47.494 -12.767 -1.792 137 HA MET 18 HA MET 18 46.791 -14.458 -4.128 138 HB2 MET 18 HB2 MET 18 49.337 -13.611 -2.780 139 HB3 MET 18 HB1 MET 18 49.351 -15.120 -3.689 140 HG2 MET 18 HG2 MET 18 48.864 -14.051 -5.722 141 HG3 MET 18 HG1 MET 18 48.199 -12.624 -4.929 142 HE1 MET 18 HE1 MET 18 49.605 -11.759 -7.003 143 HE2 MET 18 HE2 MET 18 50.717 -13.089 -7.314 144 HE3 MET 18 HE3 MET 18 51.352 -11.481 -6.973 145 H THR 19 HN THR 19 46.625 -14.719 -0.774 146 HA THR 19 HA THR 19 47.344 -17.589 -0.695 147 HB THR 19 HB THR 19 46.470 -17.266 1.752 148 HG1 THR 19 HG1 THR 19 45.570 -15.379 1.934 149 HG21 THR 19 HG21 THR 19 48.892 -15.725 0.771 150 HG22 THR 19 HG22 THR 19 48.854 -17.458 1.100 151 HG23 THR 19 HG23 THR 19 48.627 -16.306 2.416 152 H GLY 20 HN GLY 20 44.626 -15.815 -1.581 153 HA2 GLY 20 HA2 GLY 20 42.810 -17.435 -2.421 154 HA3 GLY 20 HA1 GLY 20 42.761 -18.028 -0.763 155 H LYS 21 HN LYS 21 42.803 -15.708 0.732 156 HA LYS 21 HA LYS 21 40.125 -14.833 0.626 157 HB2 LYS 21 HB2 LYS 21 42.485 -13.281 1.735 158 HB3 LYS 21 HB1 LYS 21 40.791 -13.057 2.168 159 HG2 LYS 21 HG2 LYS 21 40.909 -15.639 2.762 160 HG3 LYS 21 HG1 LYS 21 42.641 -15.332 2.853 161 HD2 LYS 21 HD2 LYS 21 42.017 -14.896 5.056 162 HD3 LYS 21 HD1 LYS 21 41.889 -13.281 4.364 163 HE2 LYS 21 HE2 LYS 21 39.887 -13.762 5.677 164 HE3 LYS 21 HE1 LYS 21 39.455 -13.685 3.969 165 HZ1 LYS 21 HZ1 LYS 21 40.260 -16.304 4.827 166 HZ2 LYS 21 HZ2 LYS 21 38.889 -15.824 3.945 167 HZ3 LYS 21 HZ3 LYS 21 38.886 -15.735 5.642 168 H ARG 22 HN ARG 22 39.186 -13.718 -0.998 169 HA ARG 22 HA ARG 22 40.780 -12.167 -2.867 170 HB2 ARG 22 HB2 ARG 22 38.756 -13.667 -3.385 171 HB3 ARG 22 HB1 ARG 22 37.769 -12.340 -2.774 172 HG2 ARG 22 HG2 ARG 22 38.745 -10.824 -4.418 173 HG3 ARG 22 HG1 ARG 22 39.801 -12.105 -5.006 174 HD2 ARG 22 HD2 ARG 22 37.951 -12.042 -6.521 175 HD3 ARG 22 HD1 ARG 22 37.681 -13.445 -5.488 176 HE ARG 22 HE ARG 22 36.338 -11.399 -4.189 177 HH11 ARG 22 HH21 ARG 22 36.399 -12.732 -7.367 178 HH12 ARG 22 HH22 ARG 22 34.739 -12.369 -7.697 179 HH21 ARG 22 HH11 ARG 22 34.168 -10.916 -4.599 180 HH22 ARG 22 HH12 ARG 22 33.475 -11.340 -6.129 181 H VAL 23 HN VAL 23 38.276 -11.471 -0.416 182 HA VAL 23 HA VAL 23 38.454 -8.567 -0.975 183 HB VAL 23 HB VAL 23 36.925 -8.530 1.146 184 HG11 VAL 23 HG11 VAL 23 35.897 -8.143 -0.951 185 HG12 VAL 23 HG12 VAL 23 34.996 -9.503 -0.282 186 HG13 VAL 23 HG13 VAL 23 36.225 -9.782 -1.515 187 HG21 VAL 23 HG21 VAL 23 36.673 -11.464 0.426 188 HG22 VAL 23 HG22 VAL 23 35.939 -10.618 1.789 189 HG23 VAL 23 HG23 VAL 23 37.681 -10.901 1.760 190 H ALA 24 HN ALA 24 39.679 -7.139 0.142 191 HA ALA 24 HA ALA 24 40.995 -8.015 2.696 192 HB1 ALA 24 HB1 ALA 24 43.031 -6.732 1.920 193 HB2 ALA 24 HB2 ALA 24 42.293 -6.649 0.321 194 HB3 ALA 24 HB3 ALA 24 42.719 -8.214 1.016 195 H THR 25 HN THR 25 41.428 -6.260 4.154 196 HA THR 25 HA THR 25 39.763 -3.816 3.596 197 HB THR 25 HB THR 25 40.862 -4.711 6.270 198 HG1 THR 25 HG1 THR 25 38.486 -5.444 4.921 199 HG21 THR 25 HG21 THR 25 38.487 -3.014 5.470 200 HG22 THR 25 HG22 THR 25 40.029 -2.396 6.062 201 HG23 THR 25 HG23 THR 25 39.002 -3.362 7.121 202 H VAL 26 HN VAL 26 40.705 -1.760 3.718 203 HA VAL 26 HA VAL 26 43.507 -1.523 4.652 204 HB VAL 26 HB VAL 26 43.416 -2.030 2.109 205 HG11 VAL 26 HG11 VAL 26 42.819 -0.254 0.640 206 HG12 VAL 26 HG12 VAL 26 42.662 0.895 1.962 207 HG13 VAL 26 HG13 VAL 26 41.476 -0.396 1.771 208 HG21 VAL 26 HG21 VAL 26 44.747 0.490 3.151 209 HG22 VAL 26 HG22 VAL 26 45.197 -0.348 1.666 210 HG23 VAL 26 HG23 VAL 26 45.409 -1.142 3.227 211 H GLN 27 HN GLN 27 43.732 0.322 5.785 212 HA GLN 27 HA GLN 27 41.509 2.250 5.864 213 HB2 GLN 27 HB2 GLN 27 43.937 1.666 7.501 214 HB3 GLN 27 HB1 GLN 27 43.431 3.354 7.480 215 HG2 GLN 27 HG2 GLN 27 41.497 1.099 8.050 216 HG3 GLN 27 HG1 GLN 27 42.419 1.900 9.324 217 HE21 GLN 27 HE21 GLN 27 42.144 4.366 9.416 218 HE22 GLN 27 HE22 GLN 27 40.633 5.009 8.988 219 H LYS 28 HN LYS 28 41.448 4.006 4.556 220 HA LYS 28 HA LYS 28 44.021 5.151 3.541 221 HB2 LYS 28 HB2 LYS 28 43.015 3.704 1.794 222 HB3 LYS 28 HB1 LYS 28 41.516 4.630 1.905 223 HG2 LYS 28 HG2 LYS 28 42.635 6.646 1.160 224 HG3 LYS 28 HG1 LYS 28 44.207 5.847 1.218 225 HD2 LYS 28 HD2 LYS 28 43.535 4.311 -0.556 226 HD3 LYS 28 HD1 LYS 28 41.911 4.999 -0.573 227 HE2 LYS 28 HE2 LYS 28 44.446 6.553 -1.172 228 HE3 LYS 28 HE1 LYS 28 43.352 5.908 -2.396 229 HZ1 LYS 28 HZ1 LYS 28 42.620 8.068 -2.112 230 HZ2 LYS 28 HZ2 LYS 28 42.873 8.055 -0.432 231 HZ3 LYS 28 HZ3 LYS 28 41.569 7.197 -1.105 232 H ASP 29 HN ASP 29 43.957 7.484 3.484 233 HA ASP 29 HA ASP 29 43.135 9.591 4.248 234 HB2 ASP 29 HB2 ASP 29 41.295 10.377 2.934 235 HB3 ASP 29 HB1 ASP 29 42.188 9.253 1.913 236 H GLY 30 HN GLY 30 42.447 7.195 5.964 237 HA2 GLY 30 HA2 GLY 30 41.416 7.239 8.126 238 HA3 GLY 30 HA1 GLY 30 40.413 8.590 7.602 239 H ARG 31 HN ARG 31 39.534 7.273 5.137 240 HA ARG 31 HA ARG 31 37.444 5.558 6.333 241 HB2 ARG 31 HB2 ARG 31 36.774 7.324 4.744 242 HB3 ARG 31 HB1 ARG 31 37.785 6.593 3.499 243 HG2 ARG 31 HG2 ARG 31 35.404 5.945 3.243 244 HG3 ARG 31 HG1 ARG 31 36.425 4.547 3.559 245 HD2 ARG 31 HD2 ARG 31 35.597 4.261 5.724 246 HD3 ARG 31 HD1 ARG 31 35.136 5.958 5.881 247 HE ARG 31 HE ARG 31 33.488 5.010 3.867 248 HH11 ARG 31 HH21 ARG 31 34.294 4.082 7.087 249 HH12 ARG 31 HH22 ARG 31 32.740 3.394 7.420 250 HH21 ARG 31 HH11 ARG 31 31.454 4.118 4.282 251 HH22 ARG 31 HH12 ARG 31 31.132 3.414 5.831 252 H ARG 32 HN ARG 32 37.171 3.440 5.856 253 HA ARG 32 HA ARG 32 39.495 2.011 4.714 254 HB2 ARG 32 HB2 ARG 32 38.964 0.382 6.226 255 HB3 ARG 32 HB1 ARG 32 37.890 1.582 6.929 256 HG2 ARG 32 HG2 ARG 32 36.063 0.734 5.413 257 HG3 ARG 32 HG1 ARG 32 37.149 -0.565 4.920 258 HD2 ARG 32 HD2 ARG 32 35.753 -1.413 6.703 259 HD3 ARG 32 HD1 ARG 32 37.379 -1.192 7.350 260 HE ARG 32 HE ARG 32 36.109 1.204 7.919 261 HH11 ARG 32 HH21 ARG 32 35.482 -2.147 8.430 262 HH12 ARG 32 HH22 ARG 32 34.614 -1.896 9.908 263 HH21 ARG 32 HH11 ARG 32 34.978 1.552 9.846 264 HH22 ARG 32 HH12 ARG 32 34.328 0.198 10.709 265 H VAL 33 HN VAL 33 39.308 0.533 2.979 266 HA VAL 33 HA VAL 33 36.697 0.427 1.524 267 HB VAL 33 HB VAL 33 39.348 1.241 0.277 268 HG11 VAL 33 HG11 VAL 33 37.933 1.335 -1.832 269 HG12 VAL 33 HG12 VAL 33 36.692 0.447 -0.952 270 HG13 VAL 33 HG13 VAL 33 38.267 -0.291 -1.240 271 HG21 VAL 33 HG21 VAL 33 37.816 3.173 -0.518 272 HG22 VAL 33 HG22 VAL 33 38.301 3.189 1.175 273 HG23 VAL 33 HG23 VAL 33 36.692 2.625 0.725 274 H GLU 34 HN GLU 34 36.427 -1.448 0.333 275 HA GLU 34 HA GLU 34 38.410 -3.621 0.914 276 HB2 GLU 34 HB2 GLU 34 35.408 -3.553 0.625 277 HB3 GLU 34 HB1 GLU 34 36.276 -5.069 0.380 278 HG2 GLU 34 HG2 GLU 34 37.183 -5.003 2.606 279 HG3 GLU 34 HG1 GLU 34 36.616 -3.352 2.853 280 H PHE 35 HN PHE 35 39.745 -3.747 -0.918 281 HA PHE 35 HA PHE 35 38.469 -3.661 -3.610 282 HB2 PHE 35 HB2 PHE 35 41.322 -3.632 -2.614 283 HB3 PHE 35 HB1 PHE 35 40.984 -4.040 -4.290 284 HD1 PHE 35 HD1 PHE 35 39.086 -2.320 -5.368 285 HD2 PHE 35 HD2 PHE 35 41.918 -1.418 -2.266 286 HE1 PHE 35 HE1 PHE 35 38.943 0.088 -5.931 287 HE2 PHE 35 HE2 PHE 35 41.774 0.986 -2.824 288 HZ PHE 35 HZ PHE 35 40.284 1.743 -4.660 289 H THR 36 HN THR 36 38.415 -5.504 -4.953 290 HA THR 36 HA THR 36 39.004 -8.105 -3.586 291 HB THR 36 HB THR 36 37.469 -9.089 -5.242 292 HG1 THR 36 HG1 THR 36 37.355 -6.438 -6.231 293 HG21 THR 36 HG21 THR 36 36.644 -7.796 -3.136 294 HG22 THR 36 HG22 THR 36 35.468 -8.242 -4.372 295 HG23 THR 36 HG23 THR 36 36.085 -6.592 -4.298 296 H ALA 37 HN ALA 37 40.038 -9.831 -5.077 297 HA ALA 37 HA ALA 37 42.417 -8.876 -6.270 298 HB1 ALA 37 HB1 ALA 37 42.130 -11.235 -5.679 299 HB2 ALA 37 HB2 ALA 37 42.580 -11.088 -7.375 300 HB3 ALA 37 HB3 ALA 37 40.905 -11.418 -6.936 301 H THR 38 HN THR 38 39.265 -8.600 -7.500 302 HA THR 38 HA THR 38 39.639 -8.882 -10.288 303 HB THR 38 HB THR 38 37.759 -7.250 -10.513 304 HG1 THR 38 HG1 THR 38 37.124 -6.102 -8.831 305 HG21 THR 38 HG21 THR 38 37.540 -9.756 -9.748 306 HG22 THR 38 HG22 THR 38 36.139 -8.691 -9.636 307 HG23 THR 38 HG23 THR 38 37.090 -9.048 -8.196 308 H SER 39 HN SER 39 40.640 -6.308 -8.119 309 HA SER 39 HA SER 39 41.926 -4.915 -10.452 310 HB2 SER 39 HB2 SER 39 41.312 -2.795 -9.615 311 HB3 SER 39 HB1 SER 39 39.850 -3.756 -9.430 312 HG SER 39 HG SER 39 40.262 -2.692 -7.505 313 H VAL 40 HN VAL 40 43.448 -6.724 -9.196 314 HA VAL 40 HA VAL 40 44.792 -5.614 -6.855 315 HB VAL 40 HB VAL 40 44.731 -8.018 -7.054 316 HG11 VAL 40 HG11 VAL 40 45.738 -9.225 -8.933 317 HG12 VAL 40 HG12 VAL 40 46.301 -7.719 -9.651 318 HG13 VAL 40 HG13 VAL 40 44.573 -8.069 -9.580 319 HG21 VAL 40 HG21 VAL 40 46.851 -6.833 -6.197 320 HG22 VAL 40 HG22 VAL 40 47.569 -7.214 -7.762 321 HG23 VAL 40 HG23 VAL 40 47.053 -8.517 -6.693 322 H SER 41 HN SER 41 45.001 -4.960 -10.195 323 HA SER 41 HA SER 41 47.838 -4.393 -10.322 324 HB2 SER 41 HB2 SER 41 47.263 -3.215 -12.421 325 HB3 SER 41 HB1 SER 41 46.550 -4.824 -12.357 326 HG SER 41 HG SER 41 44.591 -3.940 -11.926 327 H ASP 42 HN ASP 42 44.933 -2.385 -9.785 328 HA ASP 42 HA ASP 42 46.227 0.135 -9.694 329 HB2 ASP 42 HB2 ASP 42 44.345 0.780 -8.117 330 HB3 ASP 42 HB1 ASP 42 43.824 0.062 -9.641 331 H LEU 43 HN LEU 43 46.119 -2.484 -7.273 332 HA LEU 43 HA LEU 43 47.132 -0.863 -5.115 333 HB2 LEU 43 HB2 LEU 43 45.984 -3.207 -5.034 334 HB3 LEU 43 HB1 LEU 43 47.590 -3.838 -5.372 335 HG LEU 43 HG LEU 43 48.467 -2.719 -3.336 336 HD11 LEU 43 HD11 LEU 43 45.686 -1.579 -3.297 337 HD12 LEU 43 HD12 LEU 43 47.207 -0.843 -2.801 338 HD13 LEU 43 HD13 LEU 43 46.405 -1.989 -1.740 339 HD21 LEU 43 HD21 LEU 43 45.963 -4.284 -2.657 340 HD22 LEU 43 HD22 LEU 43 47.492 -4.250 -1.778 341 HD23 LEU 43 HD23 LEU 43 47.396 -5.040 -3.352 342 H LYS 44 HN LYS 44 48.590 -2.795 -7.690 343 HA LYS 44 HA LYS 44 51.299 -2.646 -6.732 344 HB2 LYS 44 HB2 LYS 44 49.982 -3.198 -9.373 345 HB3 LYS 44 HB1 LYS 44 51.702 -2.816 -9.388 346 HG2 LYS 44 HG2 LYS 44 52.215 -4.666 -7.948 347 HG3 LYS 44 HG1 LYS 44 50.511 -4.950 -7.601 348 HD2 LYS 44 HD2 LYS 44 50.092 -5.626 -9.887 349 HD3 LYS 44 HD1 LYS 44 51.722 -5.157 -10.370 350 HE2 LYS 44 HE2 LYS 44 52.695 -6.895 -9.005 351 HE3 LYS 44 HE1 LYS 44 51.128 -7.279 -8.298 352 HZ1 LYS 44 HZ1 LYS 44 52.038 -7.724 -11.077 353 HZ2 LYS 44 HZ2 LYS 44 50.393 -7.752 -10.652 354 HZ3 LYS 44 HZ3 LYS 44 51.469 -8.869 -9.962 355 H LYS 45 HN LYS 45 49.479 -0.589 -9.028 356 HA LYS 45 HA LYS 45 51.599 1.246 -9.548 357 HB2 LYS 45 HB2 LYS 45 49.461 1.021 -10.841 358 HB3 LYS 45 HB1 LYS 45 48.630 1.823 -9.512 359 HG2 LYS 45 HG2 LYS 45 49.963 3.827 -9.796 360 HG3 LYS 45 HG1 LYS 45 50.990 3.029 -10.984 361 HD2 LYS 45 HD2 LYS 45 49.510 4.283 -12.319 362 HD3 LYS 45 HD1 LYS 45 48.794 2.674 -12.336 363 HE2 LYS 45 HE2 LYS 45 47.106 4.455 -11.923 364 HE3 LYS 45 HE1 LYS 45 47.216 3.323 -10.577 365 HZ1 LYS 45 HZ1 LYS 45 48.255 4.852 -9.254 366 HZ2 LYS 45 HZ2 LYS 45 47.252 5.878 -10.162 367 HZ3 LYS 45 HZ3 LYS 45 48.898 5.729 -10.556 368 H TYR 46 HN TYR 46 49.024 1.268 -7.100 369 HA TYR 46 HA TYR 46 49.562 3.822 -5.978 370 HB2 TYR 46 HB2 TYR 46 47.562 2.495 -5.446 371 HB3 TYR 46 HB1 TYR 46 48.566 1.286 -4.659 372 HD1 TYR 46 HD2 TYR 46 48.170 5.030 -4.550 373 HD2 TYR 46 HD1 TYR 46 48.561 1.370 -2.327 374 HE1 TYR 46 HE2 TYR 46 47.994 6.296 -2.429 375 HE2 TYR 46 HE1 TYR 46 48.375 2.635 -0.207 376 HH TYR 46 HH TYR 46 48.313 6.168 -0.178 377 H ILE 47 HN ILE 47 50.771 0.608 -4.981 378 HA ILE 47 HA ILE 47 52.486 1.435 -2.905 379 HB ILE 47 HB ILE 47 52.859 -0.779 -4.942 380 HG12 ILE 47 HG12 ILE 47 51.963 -1.074 -2.070 381 HG13 ILE 47 HG11 ILE 47 50.800 -0.712 -3.345 382 HG21 ILE 47 HG21 ILE 47 55.002 -0.401 -3.967 383 HG22 ILE 47 HG22 ILE 47 54.310 -1.754 -3.073 384 HG23 ILE 47 HG23 ILE 47 54.309 -0.139 -2.367 385 HD11 ILE 47 HD11 ILE 47 51.329 -3.223 -2.721 386 HD12 ILE 47 HD12 ILE 47 52.737 -2.975 -3.754 387 HD13 ILE 47 HD13 ILE 47 51.116 -2.758 -4.407 388 H ALA 48 HN ALA 48 53.233 1.035 -6.371 389 HA ALA 48 HA ALA 48 55.918 1.795 -6.346 390 HB1 ALA 48 HB1 ALA 48 55.594 2.479 -8.692 391 HB2 ALA 48 HB2 ALA 48 53.848 2.474 -8.451 392 HB3 ALA 48 HB3 ALA 48 54.754 0.965 -8.353 393 H GLU 49 HN GLU 49 53.065 3.928 -6.544 394 HA GLU 49 HA GLU 49 54.452 6.363 -6.887 395 HB2 GLU 49 HB2 GLU 49 51.909 5.863 -6.973 396 HB3 GLU 49 HB1 GLU 49 51.935 6.145 -5.233 397 HG2 GLU 49 HG2 GLU 49 53.060 8.357 -5.699 398 HG3 GLU 49 HG1 GLU 49 52.754 8.075 -7.412 399 H LEU 50 HN LEU 50 53.966 4.439 -3.967 400 HA LEU 50 HA LEU 50 54.816 6.642 -2.216 401 HB2 LEU 50 HB2 LEU 50 54.625 3.712 -1.491 402 HB3 LEU 50 HB1 LEU 50 54.561 5.099 -0.406 403 HG LEU 50 HG LEU 50 52.498 4.326 -2.490 404 HD11 LEU 50 HD11 LEU 50 51.041 4.316 -0.401 405 HD12 LEU 50 HD12 LEU 50 52.530 4.419 0.534 406 HD13 LEU 50 HD13 LEU 50 52.235 3.022 -0.502 407 HD21 LEU 50 HD21 LEU 50 52.511 6.689 -2.572 408 HD22 LEU 50 HD22 LEU 50 52.871 6.839 -0.852 409 HD23 LEU 50 HD23 LEU 50 51.266 6.334 -1.376 410 H GLU 51 HN GLU 51 56.350 3.826 -3.730 411 HA GLU 51 HA GLU 51 58.747 3.895 -2.164 412 HB2 GLU 51 HB2 GLU 51 58.081 2.875 -4.923 413 HB3 GLU 51 HB1 GLU 51 59.753 2.875 -4.364 414 HG2 GLU 51 HG2 GLU 51 57.491 1.641 -2.772 415 HG3 GLU 51 HG1 GLU 51 58.472 0.725 -3.919 416 H VAL 52 HN VAL 52 57.630 5.820 -4.879 417 HA VAL 52 HA VAL 52 60.265 7.057 -5.292 418 HB VAL 52 HB VAL 52 57.570 7.936 -6.371 419 HG11 VAL 52 HG11 VAL 52 60.447 8.483 -7.146 420 HG12 VAL 52 HG12 VAL 52 59.225 9.657 -6.654 421 HG13 VAL 52 HG13 VAL 52 59.084 8.836 -8.208 422 HG21 VAL 52 HG21 VAL 52 58.255 6.645 -8.409 423 HG22 VAL 52 HG22 VAL 52 57.962 5.611 -7.010 424 HG23 VAL 52 HG23 VAL 52 59.614 5.993 -7.494 425 H GLN 53 HN GLN 53 57.283 7.754 -3.535 426 HA GLN 53 HA GLN 53 58.058 10.519 -2.965 427 HB2 GLN 53 HB2 GLN 53 55.871 8.712 -1.911 428 HB3 GLN 53 HB1 GLN 53 56.122 10.350 -1.311 429 HG2 GLN 53 HG2 GLN 53 55.868 11.226 -3.611 430 HG3 GLN 53 HG1 GLN 53 55.587 9.586 -4.197 431 HE21 GLN 53 HE21 GLN 53 54.341 11.398 -1.327 432 HE22 GLN 53 HE22 GLN 53 52.705 11.092 -1.665 433 H THR 54 HN THR 54 58.199 7.394 -1.293 434 HA THR 54 HA THR 54 59.393 8.672 1.101 435 HB THR 54 HB THR 54 59.077 5.695 0.689 436 HG1 THR 54 HG1 THR 54 57.105 7.647 1.163 437 HG21 THR 54 HG21 THR 54 58.712 5.745 3.117 438 HG22 THR 54 HG22 THR 54 58.805 7.506 3.106 439 HG23 THR 54 HG23 THR 54 60.230 6.546 2.713 440 H GLY 55 HN GLY 55 60.813 8.675 -1.503 441 HA2 GLY 55 HA2 GLY 55 62.934 6.697 -1.356 442 HA3 GLY 55 HA1 GLY 55 62.927 8.127 -2.391 443 H MET 56 HN MET 56 62.464 8.309 1.091 444 HA MET 56 HA MET 56 64.631 10.215 1.344 445 HB2 MET 56 HB2 MET 56 62.854 8.794 3.336 446 HB3 MET 56 HB1 MET 56 64.148 9.878 3.850 447 HG2 MET 56 HG2 MET 56 62.015 11.096 3.693 448 HG3 MET 56 HG1 MET 56 63.160 11.694 2.492 449 HE1 MET 56 HE1 MET 56 60.493 12.536 2.262 450 HE2 MET 56 HE2 MET 56 59.760 12.059 0.733 451 HE3 MET 56 HE3 MET 56 61.385 12.739 0.748 452 H THR 57 HN THR 57 66.684 9.890 2.250 453 HA THR 57 HA THR 57 67.517 7.467 3.541 454 HB THR 57 HB THR 57 67.311 6.390 1.400 455 HG1 THR 57 HG1 THR 57 69.764 6.404 0.870 456 HG21 THR 57 HG21 THR 57 68.724 8.855 0.369 457 HG22 THR 57 HG22 THR 57 67.139 8.241 -0.096 458 HG23 THR 57 HG23 THR 57 68.597 7.373 -0.577 459 H GLN 58 HN GLN 58 67.958 9.966 4.361 460 HA GLN 58 HA GLN 58 70.497 11.021 3.335 461 HB2 GLN 58 HB2 GLN 58 68.673 11.801 5.618 462 HB3 GLN 58 HB1 GLN 58 70.224 12.593 5.339 463 HG2 GLN 58 HG2 GLN 58 68.108 12.334 3.190 464 HG3 GLN 58 HG1 GLN 58 68.214 13.728 4.266 465 HE21 GLN 58 HE21 GLN 58 68.582 14.421 1.684 466 HE22 GLN 58 HE22 GLN 58 70.221 14.654 1.310 467 H ARG 59 HN ARG 59 71.921 11.730 5.543 468 HA ARG 59 HA ARG 59 72.215 9.570 7.455 469 HB2 ARG 59 HB2 ARG 59 73.187 8.561 5.355 470 HB3 ARG 59 HB1 ARG 59 74.403 9.838 5.375 471 HG2 ARG 59 HG2 ARG 59 75.205 9.111 7.553 472 HG3 ARG 59 HG1 ARG 59 73.913 7.915 7.667 473 HD2 ARG 59 HD2 ARG 59 74.810 6.737 5.704 474 HD3 ARG 59 HD1 ARG 59 76.087 7.944 5.552 475 HE ARG 59 HE ARG 59 76.375 6.999 8.141 476 HH11 ARG 59 HH21 ARG 59 76.171 5.628 4.984 477 HH12 ARG 59 HH22 ARG 59 77.182 4.273 5.362 478 HH21 ARG 59 HH11 ARG 59 77.697 5.238 8.653 479 HH22 ARG 59 HH12 ARG 59 78.045 4.052 7.439 480 H ARG 60 HN ARG 60 72.071 11.569 8.738 481 HA ARG 60 HA ARG 60 73.985 13.687 8.538 482 HB2 ARG 60 HB2 ARG 60 73.323 14.120 10.956 483 HB3 ARG 60 HB1 ARG 60 71.984 14.073 9.808 484 HG2 ARG 60 HG2 ARG 60 71.383 11.847 10.458 485 HG3 ARG 60 HG1 ARG 60 72.873 11.648 11.382 486 HD2 ARG 60 HD2 ARG 60 70.810 13.761 12.039 487 HD3 ARG 60 HD1 ARG 60 70.799 12.154 12.766 488 HE ARG 60 HE ARG 60 73.381 13.061 13.205 489 HH11 ARG 60 HH21 ARG 60 70.186 14.228 13.770 490 HH12 ARG 60 HH22 ARG 60 70.620 15.118 15.191 491 HH21 ARG 60 HH11 ARG 60 73.965 14.217 15.057 492 HH22 ARG 60 HH12 ARG 60 72.759 15.112 15.920 493 H ARG 61 HN ARG 61 75.788 14.108 10.034 494 HA ARG 61 HA ARG 61 77.808 13.462 11.036 495 HB2 ARG 61 HB2 ARG 61 76.017 12.656 12.733 496 HB3 ARG 61 HB1 ARG 61 76.337 11.044 12.095 497 HG2 ARG 61 HG2 ARG 61 77.830 11.175 13.892 498 HG3 ARG 61 HG1 ARG 61 78.848 11.625 12.526 499 HD2 ARG 61 HD2 ARG 61 77.792 14.077 13.290 500 HD3 ARG 61 HD1 ARG 61 77.985 13.262 14.838 501 HE ARG 61 HE ARG 61 80.080 14.448 13.395 502 HH11 ARG 61 HH21 ARG 61 79.335 11.335 14.697 503 HH12 ARG 61 HH22 ARG 61 80.989 10.839 14.781 504 HH21 ARG 61 HH11 ARG 61 82.229 13.813 13.517 505 HH22 ARG 61 HH12 ARG 61 82.625 12.238 14.121 506 H GLY 62 HN GLY 62 79.073 12.889 9.261 507 HA2 GLY 62 HA2 GLY 62 79.873 10.178 8.965 508 HA3 GLY 62 HA1 GLY 62 78.732 10.550 7.671 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 56.866 10.817 7.813 2 H2 MET 1 HT2 MET 1 55.815 10.786 9.148 3 H3 MET 1 HT3 MET 1 55.318 10.144 7.656 4 HA MET 1 HA MET 1 57.390 8.615 7.963 5 HB2 MET 1 HB2 MET 1 58.084 9.817 10.041 6 HB3 MET 1 HB1 MET 1 56.586 9.290 10.809 7 HG2 MET 1 HG2 MET 1 57.214 6.955 10.537 8 HG3 MET 1 HG1 MET 1 58.655 7.414 9.631 9 HE1 MET 1 HE1 MET 1 59.007 5.508 11.619 10 HE2 MET 1 HE2 MET 1 60.096 6.021 12.906 11 HE3 MET 1 HE3 MET 1 60.540 6.296 11.223 12 H VAL 2 HN VAL 2 54.159 9.362 8.943 13 HA VAL 2 HA VAL 2 53.291 6.773 9.782 14 HB VAL 2 HB VAL 2 51.678 8.880 8.311 15 HG11 VAL 2 HG11 VAL 2 50.905 6.625 10.189 16 HG12 VAL 2 HG12 VAL 2 50.550 6.715 8.464 17 HG13 VAL 2 HG13 VAL 2 49.795 7.853 9.580 18 HG21 VAL 2 HG21 VAL 2 51.073 9.632 10.621 19 HG22 VAL 2 HG22 VAL 2 52.782 9.869 10.254 20 HG23 VAL 2 HG23 VAL 2 52.277 8.515 11.266 21 H ARG 3 HN ARG 3 54.121 8.024 6.666 22 HA ARG 3 HA ARG 3 52.546 6.252 5.044 23 HB2 ARG 3 HB2 ARG 3 55.260 7.458 4.422 24 HB3 ARG 3 HB1 ARG 3 54.104 6.826 3.248 25 HG2 ARG 3 HG2 ARG 3 52.449 8.520 4.000 26 HG3 ARG 3 HG1 ARG 3 53.655 9.185 5.100 27 HD2 ARG 3 HD2 ARG 3 55.028 9.145 2.685 28 HD3 ARG 3 HD1 ARG 3 53.391 9.548 2.175 29 HE ARG 3 HE ARG 3 55.187 11.371 3.325 30 HH11 ARG 3 HH21 ARG 3 52.013 10.180 3.993 31 HH12 ARG 3 HH22 ARG 3 51.548 11.572 4.905 32 HH21 ARG 3 HH11 ARG 3 54.582 13.188 4.498 33 HH22 ARG 3 HH12 ARG 3 52.996 13.274 5.186 34 H GLN 4 HN GLN 4 55.568 5.868 6.781 35 HA GLN 4 HA GLN 4 56.522 3.531 5.446 36 HB2 GLN 4 HB2 GLN 4 57.716 5.017 7.198 37 HB3 GLN 4 HB1 GLN 4 56.877 4.044 8.405 38 HG2 GLN 4 HG2 GLN 4 58.628 2.889 6.212 39 HG3 GLN 4 HG1 GLN 4 59.177 3.196 7.859 40 HE21 GLN 4 HE21 GLN 4 57.156 2.301 9.465 41 HE22 GLN 4 HE22 GLN 4 56.815 0.663 9.173 42 H GLU 5 HN GLU 5 54.318 3.952 8.207 43 HA GLU 5 HA GLU 5 53.987 1.099 8.636 44 HB2 GLU 5 HB2 GLU 5 52.512 3.557 9.591 45 HB3 GLU 5 HB1 GLU 5 51.930 1.936 9.967 46 HG2 GLU 5 HG2 GLU 5 54.131 1.396 10.978 47 HG3 GLU 5 HG1 GLU 5 54.673 3.040 10.646 48 H GLU 6 HN GLU 6 51.941 3.616 7.110 49 HA GLU 6 HA GLU 6 49.817 1.907 6.366 50 HB2 GLU 6 HB2 GLU 6 50.738 4.596 5.643 51 HB3 GLU 6 HB1 GLU 6 50.050 3.777 4.243 52 HG2 GLU 6 HG2 GLU 6 48.321 5.025 5.476 53 HG3 GLU 6 HG1 GLU 6 48.002 3.291 5.536 54 H LEU 7 HN LEU 7 53.065 2.042 5.148 55 HA LEU 7 HA LEU 7 52.431 0.785 2.591 56 HB2 LEU 7 HB2 LEU 7 54.556 2.196 3.343 57 HB3 LEU 7 HB1 LEU 7 55.164 0.625 3.852 58 HG LEU 7 HG LEU 7 54.161 1.302 1.067 59 HD11 LEU 7 HD11 LEU 7 56.309 2.377 1.585 60 HD12 LEU 7 HD12 LEU 7 56.546 1.061 0.437 61 HD13 LEU 7 HD13 LEU 7 56.962 0.835 2.136 62 HD21 LEU 7 HD21 LEU 7 55.179 -1.228 2.367 63 HD22 LEU 7 HD22 LEU 7 55.368 -0.973 0.633 64 HD23 LEU 7 HD23 LEU 7 53.759 -1.006 1.346 65 H ALA 8 HN ALA 8 53.896 -0.324 5.658 66 HA ALA 8 HA ALA 8 54.149 -3.058 4.950 67 HB1 ALA 8 HB1 ALA 8 54.143 -3.502 7.385 68 HB2 ALA 8 HB2 ALA 8 53.554 -1.866 7.679 69 HB3 ALA 8 HB3 ALA 8 55.159 -2.116 6.991 70 H ALA 9 HN ALA 9 51.349 -1.178 5.818 71 HA ALA 9 HA ALA 9 49.652 -3.449 6.468 72 HB1 ALA 9 HB1 ALA 9 49.025 -1.345 7.421 73 HB2 ALA 9 HB2 ALA 9 47.807 -1.708 6.198 74 HB3 ALA 9 HB3 ALA 9 49.085 -0.542 5.852 75 H ALA 10 HN ALA 10 49.753 -1.192 3.669 76 HA ALA 10 HA ALA 10 47.895 -2.656 2.089 77 HB1 ALA 10 HB1 ALA 10 50.097 -0.710 1.447 78 HB2 ALA 10 HB2 ALA 10 48.357 -0.522 1.240 79 HB3 ALA 10 HB3 ALA 10 49.269 -1.551 0.135 80 H ARG 11 HN ARG 11 51.295 -3.083 2.733 81 HA ARG 11 HA ARG 11 51.828 -4.982 0.623 82 HB2 ARG 11 HB2 ARG 11 53.427 -3.631 2.282 83 HB3 ARG 11 HB1 ARG 11 53.256 -5.064 3.286 84 HG2 ARG 11 HG2 ARG 11 55.039 -5.820 2.045 85 HG3 ARG 11 HG1 ARG 11 53.789 -6.248 0.880 86 HD2 ARG 11 HD2 ARG 11 54.085 -3.987 -0.165 87 HD3 ARG 11 HD1 ARG 11 55.442 -3.709 0.925 88 HE ARG 11 HE ARG 11 56.062 -6.118 -0.300 89 HH11 ARG 11 HH21 ARG 11 55.178 -2.948 -1.327 90 HH12 ARG 11 HH22 ARG 11 56.084 -3.028 -2.801 91 HH21 ARG 11 HH11 ARG 11 57.252 -6.241 -2.217 92 HH22 ARG 11 HH12 ARG 11 57.259 -4.892 -3.304 93 H ALA 12 HN ALA 12 51.062 -5.351 4.148 94 HA ALA 12 HA ALA 12 51.018 -8.164 4.204 95 HB1 ALA 12 HB1 ALA 12 50.808 -6.772 6.235 96 HB2 ALA 12 HB2 ALA 12 49.499 -7.950 6.140 97 HB3 ALA 12 HB3 ALA 12 49.203 -6.264 5.711 98 H ALA 13 HN ALA 13 48.972 -6.001 2.644 99 HA ALA 13 HA ALA 13 46.658 -7.770 2.461 100 HB1 ALA 13 HB1 ALA 13 47.174 -5.441 0.614 101 HB2 ALA 13 HB2 ALA 13 46.702 -5.171 2.291 102 HB3 ALA 13 HB3 ALA 13 45.633 -6.062 1.210 103 H LEU 14 HN LEU 14 49.454 -6.947 0.403 104 HA LEU 14 HA LEU 14 48.488 -8.371 -1.874 105 HB2 LEU 14 HB2 LEU 14 50.810 -6.893 -1.307 106 HB3 LEU 14 HB1 LEU 14 51.405 -8.486 -1.730 107 HG LEU 14 HG LEU 14 49.431 -6.914 -3.423 108 HD11 LEU 14 HD11 LEU 14 51.692 -5.818 -3.175 109 HD12 LEU 14 HD12 LEU 14 51.271 -6.280 -4.821 110 HD13 LEU 14 HD13 LEU 14 52.397 -7.267 -3.890 111 HD21 LEU 14 HD21 LEU 14 49.646 -9.503 -3.551 112 HD22 LEU 14 HD22 LEU 14 51.219 -9.189 -4.281 113 HD23 LEU 14 HD23 LEU 14 49.751 -8.586 -5.052 114 H HIS 15 HN HIS 15 50.056 -9.420 1.061 115 HA HIS 15 HA HIS 15 50.658 -12.093 0.057 116 HB2 HIS 15 HB2 HIS 15 51.896 -11.046 1.962 117 HB3 HIS 15 HB1 HIS 15 50.419 -11.124 2.924 118 HD1 HIS 15 HD1 HIS 15 53.112 -13.279 1.444 119 HD2 HIS 15 HD2 HIS 15 49.690 -13.745 3.779 120 HE1 HIS 15 HE1 HIS 15 53.171 -15.648 2.337 121 H ASP 16 HN ASP 16 47.994 -10.507 1.713 122 HA ASP 16 HA ASP 16 46.594 -12.968 2.361 123 HB2 ASP 16 HB2 ASP 16 46.293 -10.746 3.541 124 HB3 ASP 16 HB1 ASP 16 45.411 -10.195 2.117 125 H LEU 17 HN LEU 17 46.525 -10.666 -0.326 126 HA LEU 17 HA LEU 17 44.158 -11.823 -1.542 127 HB2 LEU 17 HB2 LEU 17 46.301 -10.021 -2.706 128 HB3 LEU 17 HB1 LEU 17 44.788 -10.417 -3.498 129 HG LEU 17 HG LEU 17 44.859 -9.212 -0.727 130 HD11 LEU 17 HD11 LEU 17 46.076 -7.725 -2.317 131 HD12 LEU 17 HD12 LEU 17 44.574 -7.009 -1.738 132 HD13 LEU 17 HD13 LEU 17 44.650 -7.710 -3.352 133 HD21 LEU 17 HD21 LEU 17 42.699 -10.061 -1.202 134 HD22 LEU 17 HD22 LEU 17 42.773 -9.567 -2.890 135 HD23 LEU 17 HD23 LEU 17 42.576 -8.358 -1.628 136 H MET 18 HN MET 18 47.559 -12.596 -1.645 137 HA MET 18 HA MET 18 47.233 -14.228 -4.092 138 HB2 MET 18 HB2 MET 18 49.449 -13.015 -2.640 139 HB3 MET 18 HB1 MET 18 49.783 -14.723 -2.900 140 HG2 MET 18 HG2 MET 18 50.648 -13.513 -4.800 141 HG3 MET 18 HG1 MET 18 49.211 -14.378 -5.339 142 HE1 MET 18 HE1 MET 18 48.853 -12.727 -7.510 143 HE2 MET 18 HE2 MET 18 50.467 -12.311 -6.943 144 HE3 MET 18 HE3 MET 18 49.328 -11.031 -7.351 145 H THR 19 HN THR 19 46.713 -14.619 -0.770 146 HA THR 19 HA THR 19 47.393 -17.516 -0.788 147 HB THR 19 HB THR 19 46.435 -17.257 1.650 148 HG1 THR 19 HG1 THR 19 45.818 -15.322 2.097 149 HG21 THR 19 HG21 THR 19 48.993 -15.860 0.807 150 HG22 THR 19 HG22 THR 19 48.819 -17.592 1.087 151 HG23 THR 19 HG23 THR 19 48.629 -16.460 2.425 152 H GLY 20 HN GLY 20 44.773 -15.588 -1.649 153 HA2 GLY 20 HA2 GLY 20 42.906 -17.047 -2.628 154 HA3 GLY 20 HA1 GLY 20 42.808 -17.778 -1.029 155 H LYS 21 HN LYS 21 42.999 -15.515 0.608 156 HA LYS 21 HA LYS 21 40.373 -14.596 0.775 157 HB2 LYS 21 HB2 LYS 21 42.973 -13.332 1.637 158 HB3 LYS 21 HB1 LYS 21 41.441 -12.513 1.916 159 HG2 LYS 21 HG2 LYS 21 42.164 -13.874 3.852 160 HG3 LYS 21 HG1 LYS 21 40.624 -14.415 3.190 161 HD2 LYS 21 HD2 LYS 21 41.636 -16.287 2.108 162 HD3 LYS 21 HD1 LYS 21 43.260 -15.646 2.370 163 HE2 LYS 21 HE2 LYS 21 42.911 -15.876 4.830 164 HE3 LYS 21 HE1 LYS 21 41.349 -16.628 4.508 165 HZ1 LYS 21 HZ1 LYS 21 42.750 -18.178 3.008 166 HZ2 LYS 21 HZ2 LYS 21 42.730 -18.436 4.686 167 HZ3 LYS 21 HZ3 LYS 21 44.051 -17.652 3.959 168 H ARG 22 HN ARG 22 39.400 -13.905 -1.120 169 HA ARG 22 HA ARG 22 40.698 -12.172 -3.006 170 HB2 ARG 22 HB2 ARG 22 38.795 -13.803 -3.468 171 HB3 ARG 22 HB1 ARG 22 37.723 -12.618 -2.722 172 HG2 ARG 22 HG2 ARG 22 38.756 -10.922 -4.370 173 HG3 ARG 22 HG1 ARG 22 39.367 -12.325 -5.234 174 HD2 ARG 22 HD2 ARG 22 36.498 -11.566 -4.705 175 HD3 ARG 22 HD1 ARG 22 37.274 -11.809 -6.265 176 HE ARG 22 HE ARG 22 35.965 -13.812 -4.677 177 HH11 ARG 22 HH21 ARG 22 38.837 -13.342 -6.539 178 HH12 ARG 22 HH22 ARG 22 39.160 -15.035 -6.690 179 HH21 ARG 22 HH11 ARG 22 36.369 -16.006 -4.888 180 HH22 ARG 22 HH12 ARG 22 37.764 -16.540 -5.766 181 H VAL 23 HN VAL 23 38.107 -11.630 -0.598 182 HA VAL 23 HA VAL 23 38.205 -8.715 -1.093 183 HB VAL 23 HB VAL 23 36.066 -9.852 -0.572 184 HG11 VAL 23 HG11 VAL 23 37.166 -10.241 2.223 185 HG12 VAL 23 HG12 VAL 23 37.212 -11.519 1.008 186 HG13 VAL 23 HG13 VAL 23 35.663 -10.875 1.551 187 HG21 VAL 23 HG21 VAL 23 36.510 -7.446 0.062 188 HG22 VAL 23 HG22 VAL 23 36.916 -8.007 1.684 189 HG23 VAL 23 HG23 VAL 23 35.283 -8.233 1.055 190 H ALA 24 HN ALA 24 39.316 -7.258 0.115 191 HA ALA 24 HA ALA 24 40.406 -8.063 2.773 192 HB1 ALA 24 HB1 ALA 24 42.233 -8.527 1.215 193 HB2 ALA 24 HB2 ALA 24 42.624 -7.094 2.166 194 HB3 ALA 24 HB3 ALA 24 42.066 -6.922 0.503 195 H THR 25 HN THR 25 40.887 -6.227 4.124 196 HA THR 25 HA THR 25 39.442 -3.734 3.264 197 HB THR 25 HB THR 25 40.221 -4.759 6.014 198 HG1 THR 25 HG1 THR 25 38.389 -5.733 5.840 199 HG21 THR 25 HG21 THR 25 40.258 -2.391 6.148 200 HG22 THR 25 HG22 THR 25 38.651 -2.854 6.710 201 HG23 THR 25 HG23 THR 25 38.869 -2.233 5.073 202 H VAL 26 HN VAL 26 40.438 -1.658 3.716 203 HA VAL 26 HA VAL 26 43.299 -1.661 4.467 204 HB VAL 26 HB VAL 26 43.080 -1.927 1.927 205 HG11 VAL 26 HG11 VAL 26 42.369 -0.059 0.633 206 HG12 VAL 26 HG12 VAL 26 42.308 0.994 2.042 207 HG13 VAL 26 HG13 VAL 26 41.114 -0.290 1.849 208 HG21 VAL 26 HG21 VAL 26 44.438 0.586 2.952 209 HG22 VAL 26 HG22 VAL 26 44.874 -0.324 1.505 210 HG23 VAL 26 HG23 VAL 26 45.101 -1.041 3.100 211 H GLN 27 HN GLN 27 43.744 0.054 5.706 212 HA GLN 27 HA GLN 27 41.665 2.096 6.154 213 HB2 GLN 27 HB2 GLN 27 44.375 2.204 7.470 214 HB3 GLN 27 HB1 GLN 27 42.791 2.598 8.138 215 HG2 GLN 27 HG2 GLN 27 43.290 0.566 9.195 216 HG3 GLN 27 HG1 GLN 27 42.294 0.046 7.838 217 HE21 GLN 27 HE21 GLN 27 43.187 -1.670 6.696 218 HE22 GLN 27 HE22 GLN 27 44.847 -2.002 6.566 219 H LYS 28 HN LYS 28 41.652 3.901 4.877 220 HA LYS 28 HA LYS 28 44.274 5.024 3.949 221 HB2 LYS 28 HB2 LYS 28 43.104 3.757 2.131 222 HB3 LYS 28 HB1 LYS 28 41.745 4.871 2.292 223 HG2 LYS 28 HG2 LYS 28 43.130 6.756 1.684 224 HG3 LYS 28 HG1 LYS 28 44.585 5.760 1.723 225 HD2 LYS 28 HD2 LYS 28 43.706 4.398 -0.138 226 HD3 LYS 28 HD1 LYS 28 42.253 5.395 -0.181 227 HE2 LYS 28 HE2 LYS 28 45.088 6.339 -0.692 228 HE3 LYS 28 HE1 LYS 28 43.812 6.164 -1.897 229 HZ1 LYS 28 HZ1 LYS 28 43.614 8.364 -1.400 230 HZ2 LYS 28 HZ2 LYS 28 44.124 8.176 0.210 231 HZ3 LYS 28 HZ3 LYS 28 42.549 7.728 -0.244 232 H ASP 29 HN ASP 29 44.370 7.103 4.943 233 HA ASP 29 HA ASP 29 43.603 9.215 5.725 234 HB2 ASP 29 HB2 ASP 29 41.415 8.924 3.655 235 HB3 ASP 29 HB1 ASP 29 42.194 10.400 4.226 236 H GLY 30 HN GLY 30 42.685 7.032 7.220 237 HA2 GLY 30 HA2 GLY 30 41.051 6.497 8.813 238 HA3 GLY 30 HA1 GLY 30 40.513 8.169 8.651 239 H ARG 31 HN ARG 31 40.568 5.993 5.902 240 HA ARG 31 HA ARG 31 37.606 5.645 6.084 241 HB2 ARG 31 HB2 ARG 31 38.069 7.579 4.589 242 HB3 ARG 31 HB1 ARG 31 39.117 6.557 3.613 243 HG2 ARG 31 HG2 ARG 31 36.839 6.786 2.636 244 HG3 ARG 31 HG1 ARG 31 37.247 5.120 3.019 245 HD2 ARG 31 HD2 ARG 31 34.894 6.085 3.713 246 HD3 ARG 31 HD1 ARG 31 35.762 5.016 4.814 247 HE ARG 31 HE ARG 31 36.616 7.536 5.563 248 HH11 ARG 31 HH21 ARG 31 33.580 5.995 5.035 249 HH12 ARG 31 HH22 ARG 31 32.744 6.941 6.223 250 HH21 ARG 31 HH11 ARG 31 35.545 8.779 7.116 251 HH22 ARG 31 HH12 ARG 31 33.858 8.517 7.400 252 H ARG 32 HN ARG 32 36.993 3.633 5.617 253 HA ARG 32 HA ARG 32 39.057 1.646 4.880 254 HB2 ARG 32 HB2 ARG 32 36.224 1.517 5.924 255 HB3 ARG 32 HB1 ARG 32 37.072 0.069 5.383 256 HG2 ARG 32 HG2 ARG 32 38.885 0.524 6.988 257 HG3 ARG 32 HG1 ARG 32 38.051 1.981 7.524 258 HD2 ARG 32 HD2 ARG 32 37.017 -0.862 7.744 259 HD3 ARG 32 HD1 ARG 32 37.572 0.153 9.075 260 HE ARG 32 HE ARG 32 35.555 1.648 7.907 261 HH11 ARG 32 HH21 ARG 32 35.911 -1.562 9.114 262 HH12 ARG 32 HH22 ARG 32 34.258 -1.702 9.609 263 HH21 ARG 32 HH11 ARG 32 33.393 1.484 8.548 264 HH22 ARG 32 HH12 ARG 32 32.831 0.022 9.289 265 H VAL 33 HN VAL 33 38.954 0.306 3.085 266 HA VAL 33 HA VAL 33 36.675 0.559 1.189 267 HB VAL 33 HB VAL 33 39.558 1.012 0.330 268 HG11 VAL 33 HG11 VAL 33 38.397 -0.305 -1.332 269 HG12 VAL 33 HG12 VAL 33 38.443 1.358 -1.918 270 HG13 VAL 33 HG13 VAL 33 36.963 0.714 -1.210 271 HG21 VAL 33 HG21 VAL 33 38.442 3.181 -0.563 272 HG22 VAL 33 HG22 VAL 33 38.766 3.091 1.164 273 HG23 VAL 33 HG23 VAL 33 37.133 2.807 0.558 274 H GLU 34 HN GLU 34 36.387 -1.296 -0.025 275 HA GLU 34 HA GLU 34 38.066 -3.646 0.808 276 HB2 GLU 34 HB2 GLU 34 35.141 -3.326 0.109 277 HB3 GLU 34 HB1 GLU 34 35.910 -4.913 0.099 278 HG2 GLU 34 HG2 GLU 34 34.903 -4.543 2.288 279 HG3 GLU 34 HG1 GLU 34 36.659 -4.503 2.464 280 H PHE 35 HN PHE 35 39.586 -3.877 -0.878 281 HA PHE 35 HA PHE 35 38.595 -3.762 -3.687 282 HB2 PHE 35 HB2 PHE 35 41.288 -3.673 -2.361 283 HB3 PHE 35 HB1 PHE 35 41.224 -4.342 -3.985 284 HD1 PHE 35 HD2 PHE 35 39.475 -2.815 -5.568 285 HD2 PHE 35 HD1 PHE 35 41.925 -1.439 -2.316 286 HE1 PHE 35 HE2 PHE 35 39.446 -0.525 -6.508 287 HE2 PHE 35 HE1 PHE 35 41.903 0.846 -3.262 288 HZ PHE 35 HZ PHE 35 40.661 1.307 -5.360 289 H THR 36 HN THR 36 38.676 -5.604 -5.043 290 HA THR 36 HA THR 36 39.066 -8.227 -3.633 291 HB THR 36 HB THR 36 37.520 -9.171 -5.275 292 HG1 THR 36 HG1 THR 36 37.766 -6.600 -6.394 293 HG21 THR 36 HG21 THR 36 35.521 -8.168 -4.518 294 HG22 THR 36 HG22 THR 36 36.269 -6.577 -4.382 295 HG23 THR 36 HG23 THR 36 36.681 -7.847 -3.229 296 H ALA 37 HN ALA 37 40.087 -9.975 -5.114 297 HA ALA 37 HA ALA 37 42.501 -9.072 -6.269 298 HB1 ALA 37 HB1 ALA 37 42.490 -11.290 -7.520 299 HB2 ALA 37 HB2 ALA 37 40.900 -11.579 -6.819 300 HB3 ALA 37 HB3 ALA 37 42.309 -11.406 -5.772 301 H THR 38 HN THR 38 39.366 -8.709 -7.529 302 HA THR 38 HA THR 38 39.833 -8.940 -10.328 303 HB THR 38 HB THR 38 37.888 -7.432 -10.595 304 HG1 THR 38 HG1 THR 38 38.669 -6.737 -8.082 305 HG21 THR 38 HG21 THR 38 36.315 -8.927 -9.744 306 HG22 THR 38 HG22 THR 38 37.202 -9.170 -8.242 307 HG23 THR 38 HG23 THR 38 37.765 -9.929 -9.733 308 H SER 39 HN SER 39 40.741 -6.452 -8.047 309 HA SER 39 HA SER 39 41.953 -4.881 -10.307 310 HB2 SER 39 HB2 SER 39 41.310 -2.837 -9.302 311 HB3 SER 39 HB1 SER 39 39.870 -3.845 -9.198 312 HG SER 39 HG SER 39 40.218 -4.138 -7.075 313 H VAL 40 HN VAL 40 43.544 -6.730 -9.181 314 HA VAL 40 HA VAL 40 44.924 -5.668 -6.822 315 HB VAL 40 HB VAL 40 44.840 -8.069 -7.055 316 HG11 VAL 40 HG11 VAL 40 45.812 -9.255 -8.966 317 HG12 VAL 40 HG12 VAL 40 46.366 -7.742 -9.675 318 HG13 VAL 40 HG13 VAL 40 44.638 -8.089 -9.578 319 HG21 VAL 40 HG21 VAL 40 47.667 -7.263 -7.799 320 HG22 VAL 40 HG22 VAL 40 47.168 -8.584 -6.745 321 HG23 VAL 40 HG23 VAL 40 46.979 -6.909 -6.215 322 H SER 41 HN SER 41 45.077 -4.982 -10.171 323 HA SER 41 HA SER 41 47.916 -4.418 -10.322 324 HB2 SER 41 HB2 SER 41 47.322 -3.249 -12.423 325 HB3 SER 41 HB1 SER 41 46.632 -4.868 -12.348 326 HG SER 41 HG SER 41 44.718 -4.006 -12.386 327 H ASP 42 HN ASP 42 45.013 -2.379 -9.845 328 HA ASP 42 HA ASP 42 46.332 0.125 -9.751 329 HB2 ASP 42 HB2 ASP 42 44.434 0.818 -8.228 330 HB3 ASP 42 HB1 ASP 42 43.921 0.054 -9.732 331 H LEU 43 HN LEU 43 46.198 -2.487 -7.334 332 HA LEU 43 HA LEU 43 47.172 -0.865 -5.154 333 HB2 LEU 43 HB2 LEU 43 46.020 -3.209 -5.102 334 HB3 LEU 43 HB1 LEU 43 47.632 -3.840 -5.414 335 HG LEU 43 HG LEU 43 48.473 -2.728 -3.361 336 HD11 LEU 43 HD11 LEU 43 47.207 -0.855 -2.837 337 HD12 LEU 43 HD12 LEU 43 46.380 -2.006 -1.800 338 HD13 LEU 43 HD13 LEU 43 45.695 -1.585 -3.369 339 HD21 LEU 43 HD21 LEU 43 45.959 -4.303 -2.743 340 HD22 LEU 43 HD22 LEU 43 47.464 -4.264 -1.824 341 HD23 LEU 43 HD23 LEU 43 47.413 -5.049 -3.402 342 H LYS 44 HN LYS 44 48.673 -2.830 -7.687 343 HA LYS 44 HA LYS 44 51.363 -2.670 -6.698 344 HB2 LYS 44 HB2 LYS 44 50.094 -3.207 -9.366 345 HB3 LYS 44 HB1 LYS 44 51.819 -2.848 -9.338 346 HG2 LYS 44 HG2 LYS 44 52.284 -4.710 -7.920 347 HG3 LYS 44 HG1 LYS 44 50.576 -4.954 -7.559 348 HD2 LYS 44 HD2 LYS 44 50.117 -5.696 -9.790 349 HD3 LYS 44 HD1 LYS 44 51.703 -5.174 -10.357 350 HE2 LYS 44 HE2 LYS 44 52.787 -6.856 -8.950 351 HE3 LYS 44 HE1 LYS 44 51.223 -7.349 -8.304 352 HZ1 LYS 44 HZ1 LYS 44 52.032 -7.501 -11.157 353 HZ2 LYS 44 HZ2 LYS 44 50.539 -7.997 -10.518 354 HZ3 LYS 44 HZ3 LYS 44 51.964 -8.813 -10.084 355 H LYS 45 HN LYS 45 49.593 -0.621 -9.039 356 HA LYS 45 HA LYS 45 51.709 1.216 -9.526 357 HB2 LYS 45 HB2 LYS 45 49.550 0.990 -10.810 358 HB3 LYS 45 HB1 LYS 45 48.750 1.838 -9.488 359 HG2 LYS 45 HG2 LYS 45 50.121 3.803 -9.822 360 HG3 LYS 45 HG1 LYS 45 51.132 2.958 -10.990 361 HD2 LYS 45 HD2 LYS 45 49.678 4.225 -12.346 362 HD3 LYS 45 HD1 LYS 45 48.942 2.625 -12.346 363 HE2 LYS 45 HE2 LYS 45 47.278 4.442 -11.965 364 HE3 LYS 45 HE1 LYS 45 47.358 3.314 -10.614 365 HZ1 LYS 45 HZ1 LYS 45 48.893 5.848 -10.710 366 HZ2 LYS 45 HZ2 LYS 45 48.661 4.827 -9.373 367 HZ3 LYS 45 HZ3 LYS 45 47.359 5.721 -9.999 368 H TYR 46 HN TYR 46 49.116 1.249 -7.090 369 HA TYR 46 HA TYR 46 49.683 3.796 -5.964 370 HB2 TYR 46 HB2 TYR 46 47.658 2.498 -5.441 371 HB3 TYR 46 HB1 TYR 46 48.641 1.282 -4.634 372 HD1 TYR 46 HD2 TYR 46 48.277 5.029 -4.576 373 HD2 TYR 46 HD1 TYR 46 48.659 1.401 -2.302 374 HE1 TYR 46 HE2 TYR 46 48.125 6.329 -2.472 375 HE2 TYR 46 HE1 TYR 46 48.498 2.701 -0.200 376 HH TYR 46 HH TYR 46 48.814 6.074 -0.099 377 H ILE 47 HN ILE 47 50.830 0.564 -4.937 378 HA ILE 47 HA ILE 47 52.547 1.390 -2.859 379 HB ILE 47 HB ILE 47 52.934 -0.849 -4.867 380 HG12 ILE 47 HG12 ILE 47 51.935 -1.121 -2.028 381 HG13 ILE 47 HG11 ILE 47 50.819 -0.745 -3.339 382 HG21 ILE 47 HG21 ILE 47 55.042 -0.474 -3.817 383 HG22 ILE 47 HG22 ILE 47 54.311 -1.823 -2.948 384 HG23 ILE 47 HG23 ILE 47 54.292 -0.207 -2.243 385 HD11 ILE 47 HD11 ILE 47 52.732 -3.033 -3.705 386 HD12 ILE 47 HD12 ILE 47 51.121 -2.801 -4.376 387 HD13 ILE 47 HD13 ILE 47 51.310 -3.265 -2.686 388 H ALA 48 HN ALA 48 53.326 0.901 -6.310 389 HA ALA 48 HA ALA 48 56.015 1.668 -6.260 390 HB1 ALA 48 HB1 ALA 48 53.981 2.265 -8.427 391 HB2 ALA 48 HB2 ALA 48 54.891 0.763 -8.260 392 HB3 ALA 48 HB3 ALA 48 55.733 2.268 -8.635 393 H GLU 49 HN GLU 49 53.138 3.757 -6.502 394 HA GLU 49 HA GLU 49 54.479 6.205 -6.937 395 HB2 GLU 49 HB2 GLU 49 51.942 5.674 -6.952 396 HB3 GLU 49 HB1 GLU 49 52.006 5.979 -5.216 397 HG2 GLU 49 HG2 GLU 49 53.087 8.199 -5.738 398 HG3 GLU 49 HG1 GLU 49 52.744 7.892 -7.441 399 H LEU 50 HN LEU 50 54.108 4.316 -3.996 400 HA LEU 50 HA LEU 50 54.964 6.541 -2.273 401 HB2 LEU 50 HB2 LEU 50 54.839 3.608 -1.545 402 HB3 LEU 50 HB1 LEU 50 54.781 4.993 -0.456 403 HG LEU 50 HG LEU 50 52.677 4.184 -2.484 404 HD11 LEU 50 HD11 LEU 50 52.503 2.875 -0.484 405 HD12 LEU 50 HD12 LEU 50 51.276 4.136 -0.362 406 HD13 LEU 50 HD13 LEU 50 52.783 4.284 0.538 407 HD21 LEU 50 HD21 LEU 50 53.045 6.701 -0.850 408 HD22 LEU 50 HD22 LEU 50 51.438 6.167 -1.340 409 HD23 LEU 50 HD23 LEU 50 52.649 6.549 -2.562 410 H GLU 51 HN GLU 51 56.476 3.784 -3.874 411 HA GLU 51 HA GLU 51 58.925 3.867 -2.367 412 HB2 GLU 51 HB2 GLU 51 58.298 2.847 -5.148 413 HB3 GLU 51 HB1 GLU 51 59.878 2.667 -4.387 414 HG2 GLU 51 HG2 GLU 51 58.998 1.310 -2.639 415 HG3 GLU 51 HG1 GLU 51 57.336 1.737 -3.044 416 H VAL 52 HN VAL 52 57.748 5.658 -5.162 417 HA VAL 52 HA VAL 52 60.377 6.865 -5.680 418 HB VAL 52 HB VAL 52 57.672 7.658 -6.796 419 HG11 VAL 52 HG11 VAL 52 59.314 9.364 -7.208 420 HG12 VAL 52 HG12 VAL 52 59.170 8.437 -8.701 421 HG13 VAL 52 HG13 VAL 52 60.541 8.168 -7.625 422 HG21 VAL 52 HG21 VAL 52 58.360 6.235 -8.745 423 HG22 VAL 52 HG22 VAL 52 58.068 5.300 -7.279 424 HG23 VAL 52 HG23 VAL 52 59.720 5.648 -7.787 425 H GLN 53 HN GLN 53 57.442 7.664 -3.910 426 HA GLN 53 HA GLN 53 58.137 10.479 -3.598 427 HB2 GLN 53 HB2 GLN 53 56.098 8.662 -2.301 428 HB3 GLN 53 HB1 GLN 53 56.319 10.333 -1.782 429 HG2 GLN 53 HG2 GLN 53 55.807 9.558 -4.665 430 HG3 GLN 53 HG1 GLN 53 54.517 9.985 -3.540 431 HE21 GLN 53 HE21 GLN 53 54.514 12.226 -2.677 432 HE22 GLN 53 HE22 GLN 53 55.332 13.460 -3.505 433 H THR 54 HN THR 54 58.535 7.528 -1.663 434 HA THR 54 HA THR 54 59.711 9.050 0.568 435 HB THR 54 HB THR 54 59.811 6.045 0.301 436 HG1 THR 54 HG1 THR 54 57.719 5.898 0.756 437 HG21 THR 54 HG21 THR 54 60.878 7.084 2.250 438 HG22 THR 54 HG22 THR 54 59.437 6.198 2.749 439 HG23 THR 54 HG23 THR 54 59.389 7.956 2.618 440 H GLY 55 HN GLY 55 60.933 8.761 -2.276 441 HA2 GLY 55 HA2 GLY 55 63.070 8.415 -3.205 442 HA3 GLY 55 HA1 GLY 55 63.633 9.020 -1.646 443 H MET 56 HN MET 56 62.445 6.020 -3.175 444 HA MET 56 HA MET 56 64.658 4.486 -2.154 445 HB2 MET 56 HB2 MET 56 63.635 3.229 -0.432 446 HB3 MET 56 HB1 MET 56 63.129 4.886 -0.111 447 HG2 MET 56 HG2 MET 56 61.018 4.362 -1.455 448 HG3 MET 56 HG1 MET 56 61.506 2.670 -1.381 449 HE1 MET 56 HE1 MET 56 58.645 2.688 1.115 450 HE2 MET 56 HE2 MET 56 59.187 2.417 -0.539 451 HE3 MET 56 HE3 MET 56 58.679 4.029 -0.039 452 H THR 57 HN THR 57 64.882 2.701 -3.448 453 HA THR 57 HA THR 57 62.519 1.437 -4.678 454 HB THR 57 HB THR 57 63.482 1.691 -6.985 455 HG1 THR 57 HG1 THR 57 65.469 2.750 -5.554 456 HG21 THR 57 HG21 THR 57 62.558 3.851 -7.356 457 HG22 THR 57 HG22 THR 57 62.971 4.390 -5.728 458 HG23 THR 57 HG23 THR 57 61.686 3.205 -5.967 459 H GLN 58 HN GLN 58 65.708 1.386 -3.534 460 HA GLN 58 HA GLN 58 66.500 -1.079 -4.924 461 HB2 GLN 58 HB2 GLN 58 67.744 0.569 -2.712 462 HB3 GLN 58 HB1 GLN 58 68.436 -0.960 -3.256 463 HG2 GLN 58 HG2 GLN 58 68.625 -0.089 -5.542 464 HG3 GLN 58 HG1 GLN 58 67.879 1.428 -5.040 465 HE21 GLN 58 HE21 GLN 58 69.124 2.266 -2.835 466 HE22 GLN 58 HE22 GLN 58 70.811 2.325 -3.011 467 H ARG 59 HN ARG 59 65.238 -0.140 -1.754 468 HA ARG 59 HA ARG 59 64.497 -1.475 0.035 469 HB2 ARG 59 HB2 ARG 59 63.796 -3.038 -2.446 470 HB3 ARG 59 HB1 ARG 59 63.427 -3.700 -0.854 471 HG2 ARG 59 HG2 ARG 59 62.601 -0.872 -1.499 472 HG3 ARG 59 HG1 ARG 59 61.638 -2.212 -2.113 473 HD2 ARG 59 HD2 ARG 59 61.428 -3.094 0.207 474 HD3 ARG 59 HD1 ARG 59 62.315 -1.690 0.799 475 HE ARG 59 HE ARG 59 60.228 -0.585 -0.646 476 HH11 ARG 59 HH21 ARG 59 60.567 -2.903 1.885 477 HH12 ARG 59 HH22 ARG 59 59.040 -2.529 2.613 478 HH21 ARG 59 HH11 ARG 59 58.233 -0.083 0.292 479 HH22 ARG 59 HH12 ARG 59 57.720 -0.933 1.711 480 H ARG 60 HN ARG 60 67.083 -1.591 0.217 481 HA ARG 60 HA ARG 60 68.978 -2.897 0.702 482 HB2 ARG 60 HB2 ARG 60 66.901 -4.954 1.487 483 HB3 ARG 60 HB1 ARG 60 68.523 -4.762 2.150 484 HG2 ARG 60 HG2 ARG 60 66.258 -2.760 2.396 485 HG3 ARG 60 HG1 ARG 60 66.853 -3.808 3.683 486 HD2 ARG 60 HD2 ARG 60 69.167 -2.708 3.200 487 HD3 ARG 60 HD1 ARG 60 68.224 -1.461 2.382 488 HE ARG 60 HE ARG 60 66.984 -1.711 4.844 489 HH11 ARG 60 HH21 ARG 60 70.198 -1.203 3.703 490 HH12 ARG 60 HH22 ARG 60 70.677 -0.261 5.074 491 HH21 ARG 60 HH11 ARG 60 67.594 -0.484 6.642 492 HH22 ARG 60 HH12 ARG 60 69.204 0.147 6.738 493 H ARG 61 HN ARG 61 68.214 -6.023 0.568 494 HA ARG 61 HA ARG 61 69.459 -6.375 -2.053 495 HB2 ARG 61 HB2 ARG 61 68.245 -8.518 -0.282 496 HB3 ARG 61 HB1 ARG 61 69.438 -8.735 -1.559 497 HG2 ARG 61 HG2 ARG 61 70.981 -8.629 0.136 498 HG3 ARG 61 HG1 ARG 61 70.725 -6.889 0.053 499 HD2 ARG 61 HD2 ARG 61 70.495 -7.585 2.363 500 HD3 ARG 61 HD1 ARG 61 68.893 -7.153 1.766 501 HE ARG 61 HE ARG 61 69.062 -9.876 1.286 502 HH11 ARG 61 HH21 ARG 61 69.516 -7.775 3.983 503 HH12 ARG 61 HH22 ARG 61 69.015 -8.951 5.153 504 HH21 ARG 61 HH11 ARG 61 68.407 -11.422 2.797 505 HH22 ARG 61 HH12 ARG 61 68.388 -11.016 4.480 506 H GLY 62 HN GLY 62 67.175 -5.008 -2.548 507 HA2 GLY 62 HA2 GLY 62 64.857 -6.653 -3.015 508 HA3 GLY 62 HA1 GLY 62 65.152 -5.071 -3.740 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 55.645 9.259 9.498 2 H2 MET 1 HT2 MET 1 57.317 9.562 9.504 3 H3 MET 1 HT3 MET 1 56.509 9.209 10.956 4 HA MET 1 HA MET 1 57.477 7.424 8.886 5 HB2 MET 1 HB2 MET 1 56.846 7.170 11.843 6 HB3 MET 1 HB1 MET 1 57.591 5.904 10.866 7 HG2 MET 1 HG2 MET 1 59.513 7.294 10.409 8 HG3 MET 1 HG1 MET 1 58.744 8.690 11.164 9 HE1 MET 1 HE1 MET 1 58.612 4.891 12.722 10 HE2 MET 1 HE2 MET 1 60.337 4.878 13.080 11 HE3 MET 1 HE3 MET 1 59.788 5.163 11.430 12 H VAL 2 HN VAL 2 54.441 8.483 9.747 13 HA VAL 2 HA VAL 2 52.923 6.101 10.015 14 HB VAL 2 HB VAL 2 52.096 8.664 8.619 15 HG11 VAL 2 HG11 VAL 2 50.480 6.953 8.185 16 HG12 VAL 2 HG12 VAL 2 49.827 7.909 9.515 17 HG13 VAL 2 HG13 VAL 2 50.578 6.346 9.838 18 HG21 VAL 2 HG21 VAL 2 52.979 9.090 10.880 19 HG22 VAL 2 HG22 VAL 2 51.928 7.834 11.536 20 HG23 VAL 2 HG23 VAL 2 51.228 9.303 10.855 21 H ARG 3 HN ARG 3 54.316 7.644 7.179 22 HA ARG 3 HA ARG 3 52.814 6.133 5.229 23 HB2 ARG 3 HB2 ARG 3 55.526 7.476 5.030 24 HB3 ARG 3 HB1 ARG 3 54.615 6.841 3.659 25 HG2 ARG 3 HG2 ARG 3 52.758 8.372 4.164 26 HG3 ARG 3 HG1 ARG 3 53.638 8.994 5.561 27 HD2 ARG 3 HD2 ARG 3 54.507 9.185 2.661 28 HD3 ARG 3 HD1 ARG 3 53.944 10.514 3.674 29 HE ARG 3 HE ARG 3 56.096 9.481 5.079 30 HH11 ARG 3 HH21 ARG 3 55.504 10.593 1.870 31 HH12 ARG 3 HH22 ARG 3 57.121 11.162 1.626 32 HH21 ARG 3 HH11 ARG 3 58.212 10.218 4.779 33 HH22 ARG 3 HH12 ARG 3 58.655 10.950 3.274 34 H GLN 4 HN GLN 4 55.666 5.486 7.149 35 HA GLN 4 HA GLN 4 56.588 3.241 5.556 36 HB2 GLN 4 HB2 GLN 4 57.179 4.263 8.333 37 HB3 GLN 4 HB1 GLN 4 57.800 2.697 7.812 38 HG2 GLN 4 HG2 GLN 4 58.964 3.719 5.941 39 HG3 GLN 4 HG1 GLN 4 58.240 5.287 6.296 40 HE21 GLN 4 HE21 GLN 4 60.548 6.067 6.539 41 HE22 GLN 4 HE22 GLN 4 61.353 5.792 8.007 42 H GLU 5 HN GLU 5 54.428 3.641 8.328 43 HA GLU 5 HA GLU 5 54.123 0.795 8.807 44 HB2 GLU 5 HB2 GLU 5 53.699 2.630 10.501 45 HB3 GLU 5 HB1 GLU 5 52.225 3.011 9.611 46 HG2 GLU 5 HG2 GLU 5 51.597 1.521 11.390 47 HG3 GLU 5 HG1 GLU 5 51.546 0.585 9.896 48 H GLU 6 HN GLU 6 52.041 3.261 7.243 49 HA GLU 6 HA GLU 6 49.960 1.465 6.526 50 HB2 GLU 6 HB2 GLU 6 50.857 4.159 5.550 51 HB3 GLU 6 HB1 GLU 6 49.745 3.258 4.521 52 HG2 GLU 6 HG2 GLU 6 48.561 4.757 6.116 53 HG3 GLU 6 HG1 GLU 6 48.151 3.059 6.363 54 H LEU 7 HN LEU 7 53.173 1.770 5.240 55 HA LEU 7 HA LEU 7 52.518 0.577 2.657 56 HB2 LEU 7 HB2 LEU 7 54.606 2.042 3.403 57 HB3 LEU 7 HB1 LEU 7 55.287 0.478 3.841 58 HG LEU 7 HG LEU 7 54.165 1.177 1.107 59 HD11 LEU 7 HD11 LEU 7 57.052 0.778 1.936 60 HD12 LEU 7 HD12 LEU 7 56.297 2.363 1.762 61 HD13 LEU 7 HD13 LEU 7 56.456 1.303 0.361 62 HD21 LEU 7 HD21 LEU 7 53.951 -1.162 1.344 63 HD22 LEU 7 HD22 LEU 7 55.422 -1.296 2.307 64 HD23 LEU 7 HD23 LEU 7 55.525 -0.987 0.574 65 H ALA 8 HN ALA 8 54.114 -0.586 5.640 66 HA ALA 8 HA ALA 8 54.442 -3.281 4.819 67 HB1 ALA 8 HB1 ALA 8 53.886 -2.218 7.609 68 HB2 ALA 8 HB2 ALA 8 55.479 -2.381 6.867 69 HB3 ALA 8 HB3 ALA 8 54.525 -3.818 7.234 70 H ALA 9 HN ALA 9 51.611 -1.544 5.899 71 HA ALA 9 HA ALA 9 50.016 -3.911 6.456 72 HB1 ALA 9 HB1 ALA 9 49.347 -1.895 7.561 73 HB2 ALA 9 HB2 ALA 9 48.104 -2.222 6.353 74 HB3 ALA 9 HB3 ALA 9 49.329 -0.993 6.045 75 H ALA 10 HN ALA 10 49.954 -1.481 3.808 76 HA ALA 10 HA ALA 10 48.092 -2.862 2.180 77 HB1 ALA 10 HB1 ALA 10 49.465 -1.682 0.262 78 HB2 ALA 10 HB2 ALA 10 50.299 -0.904 1.607 79 HB3 ALA 10 HB3 ALA 10 48.560 -0.700 1.415 80 H ARG 11 HN ARG 11 51.476 -3.374 2.795 81 HA ARG 11 HA ARG 11 51.955 -5.183 0.583 82 HB2 ARG 11 HB2 ARG 11 53.578 -3.901 2.336 83 HB3 ARG 11 HB1 ARG 11 53.488 -5.451 3.164 84 HG2 ARG 11 HG2 ARG 11 55.273 -5.902 1.776 85 HG3 ARG 11 HG1 ARG 11 53.976 -6.378 0.685 86 HD2 ARG 11 HD2 ARG 11 54.089 -3.748 0.077 87 HD3 ARG 11 HD1 ARG 11 55.760 -3.979 0.583 88 HE ARG 11 HE ARG 11 54.701 -4.750 -1.923 89 HH11 ARG 11 HH21 ARG 11 56.512 -6.147 0.665 90 HH12 ARG 11 HH22 ARG 11 57.098 -7.462 -0.290 91 HH21 ARG 11 HH11 ARG 11 55.479 -6.442 -3.174 92 HH22 ARG 11 HH12 ARG 11 56.524 -7.625 -2.460 93 H ALA 12 HN ALA 12 51.265 -5.661 4.111 94 HA ALA 12 HA ALA 12 51.196 -8.473 4.094 95 HB1 ALA 12 HB1 ALA 12 49.669 -8.294 6.036 96 HB2 ALA 12 HB2 ALA 12 49.412 -6.590 5.659 97 HB3 ALA 12 HB3 ALA 12 51.006 -7.150 6.167 98 H ALA 13 HN ALA 13 49.166 -6.242 2.619 99 HA ALA 13 HA ALA 13 46.823 -7.941 2.382 100 HB1 ALA 13 HB1 ALA 13 47.013 -5.324 2.187 101 HB2 ALA 13 HB2 ALA 13 45.858 -6.186 1.171 102 HB3 ALA 13 HB3 ALA 13 47.402 -5.660 0.500 103 H LEU 14 HN LEU 14 49.576 -7.081 0.244 104 HA LEU 14 HA LEU 14 48.655 -8.519 -2.006 105 HB2 LEU 14 HB2 LEU 14 51.155 -7.303 -1.252 106 HB3 LEU 14 HB1 LEU 14 51.500 -8.877 -1.942 107 HG LEU 14 HG LEU 14 49.674 -6.873 -3.301 108 HD11 LEU 14 HD11 LEU 14 51.967 -5.929 -2.961 109 HD12 LEU 14 HD12 LEU 14 51.562 -6.189 -4.654 110 HD13 LEU 14 HD13 LEU 14 52.624 -7.322 -3.817 111 HD21 LEU 14 HD21 LEU 14 49.836 -8.285 -5.167 112 HD22 LEU 14 HD22 LEU 14 49.747 -9.432 -3.834 113 HD23 LEU 14 HD23 LEU 14 51.304 -9.066 -4.574 114 H HIS 15 HN HIS 15 50.126 -9.659 0.961 115 HA HIS 15 HA HIS 15 50.554 -12.363 -0.042 116 HB2 HIS 15 HB2 HIS 15 51.834 -11.385 1.877 117 HB3 HIS 15 HB1 HIS 15 50.350 -11.405 2.828 118 HD1 HIS 15 HD1 HIS 15 51.375 -14.147 0.434 119 HD2 HIS 15 HD2 HIS 15 51.057 -13.521 4.543 120 HE1 HIS 15 HE1 HIS 15 51.725 -16.402 1.532 121 H ASP 16 HN ASP 16 47.986 -10.643 1.655 122 HA ASP 16 HA ASP 16 46.458 -13.046 2.227 123 HB2 ASP 16 HB2 ASP 16 46.367 -10.745 3.428 124 HB3 ASP 16 HB1 ASP 16 45.292 -10.267 2.114 125 H LEU 17 HN LEU 17 46.690 -10.855 -0.496 126 HA LEU 17 HA LEU 17 44.128 -11.708 -1.636 127 HB2 LEU 17 HB2 LEU 17 46.401 -10.112 -2.860 128 HB3 LEU 17 HB1 LEU 17 44.834 -10.368 -3.609 129 HG LEU 17 HG LEU 17 45.146 -9.132 -0.862 130 HD11 LEU 17 HD11 LEU 17 46.333 -7.792 -2.626 131 HD12 LEU 17 HD12 LEU 17 44.968 -6.946 -1.901 132 HD13 LEU 17 HD13 LEU 17 44.806 -7.674 -3.496 133 HD21 LEU 17 HD21 LEU 17 42.906 -9.818 -1.126 134 HD22 LEU 17 HD22 LEU 17 42.890 -9.446 -2.847 135 HD23 LEU 17 HD23 LEU 17 42.861 -8.144 -1.665 136 H MET 18 HN MET 18 47.478 -12.764 -1.876 137 HA MET 18 HA MET 18 46.835 -14.431 -4.251 138 HB2 MET 18 HB2 MET 18 49.337 -13.608 -2.818 139 HB3 MET 18 HB1 MET 18 49.372 -15.144 -3.682 140 HG2 MET 18 HG2 MET 18 48.996 -14.130 -5.764 141 HG3 MET 18 HG1 MET 18 48.303 -12.677 -5.047 142 HE1 MET 18 HE1 MET 18 50.877 -13.179 -7.309 143 HE2 MET 18 HE2 MET 18 51.548 -11.589 -6.963 144 HE3 MET 18 HE3 MET 18 49.801 -11.801 -7.039 145 H THR 19 HN THR 19 46.596 -14.692 -0.887 146 HA THR 19 HA THR 19 47.149 -17.610 -0.853 147 HB THR 19 HB THR 19 46.386 -17.259 1.625 148 HG1 THR 19 HG1 THR 19 46.386 -14.705 0.535 149 HG21 THR 19 HG21 THR 19 48.880 -15.882 0.581 150 HG22 THR 19 HG22 THR 19 48.727 -17.611 0.887 151 HG23 THR 19 HG23 THR 19 48.628 -16.467 2.226 152 H GLY 20 HN GLY 20 44.550 -15.616 -1.616 153 HA2 GLY 20 HA2 GLY 20 42.574 -17.039 -2.424 154 HA3 GLY 20 HA1 GLY 20 42.548 -17.706 -0.795 155 H LYS 21 HN LYS 21 42.820 -15.488 0.808 156 HA LYS 21 HA LYS 21 40.250 -14.411 0.938 157 HB2 LYS 21 HB2 LYS 21 42.740 -12.919 1.804 158 HB3 LYS 21 HB1 LYS 21 41.112 -12.756 2.460 159 HG2 LYS 21 HG2 LYS 21 41.414 -15.384 2.907 160 HG3 LYS 21 HG1 LYS 21 43.123 -14.946 2.884 161 HD2 LYS 21 HD2 LYS 21 42.475 -13.077 4.546 162 HD3 LYS 21 HD1 LYS 21 40.957 -13.951 4.741 163 HE2 LYS 21 HE2 LYS 21 42.276 -16.007 5.305 164 HE3 LYS 21 HE1 LYS 21 43.744 -15.030 5.255 165 HZ1 LYS 21 HZ1 LYS 21 42.570 -15.378 7.494 166 HZ2 LYS 21 HZ2 LYS 21 41.459 -14.221 6.934 167 HZ3 LYS 21 HZ3 LYS 21 43.102 -13.817 7.097 168 H ARG 22 HN ARG 22 39.523 -13.743 -1.079 169 HA ARG 22 HA ARG 22 40.965 -11.978 -2.806 170 HB2 ARG 22 HB2 ARG 22 38.188 -13.052 -2.584 171 HB3 ARG 22 HB1 ARG 22 38.428 -11.657 -3.639 172 HG2 ARG 22 HG2 ARG 22 40.137 -12.879 -4.900 173 HG3 ARG 22 HG1 ARG 22 39.994 -14.253 -3.805 174 HD2 ARG 22 HD2 ARG 22 37.706 -13.166 -5.469 175 HD3 ARG 22 HD1 ARG 22 38.702 -14.544 -5.937 176 HE ARG 22 HE ARG 22 37.810 -15.214 -3.404 177 HH11 ARG 22 HH21 ARG 22 36.377 -14.173 -6.362 178 HH12 ARG 22 HH22 ARG 22 34.898 -15.039 -6.105 179 HH21 ARG 22 HH11 ARG 22 35.887 -16.350 -3.052 180 HH22 ARG 22 HH12 ARG 22 34.621 -16.271 -4.231 181 H VAL 23 HN VAL 23 38.220 -11.374 -0.569 182 HA VAL 23 HA VAL 23 38.424 -8.469 -0.984 183 HB VAL 23 HB VAL 23 36.841 -8.522 1.109 184 HG11 VAL 23 HG11 VAL 23 36.230 -9.664 -1.621 185 HG12 VAL 23 HG12 VAL 23 35.849 -8.064 -0.986 186 HG13 VAL 23 HG13 VAL 23 34.963 -9.474 -0.409 187 HG21 VAL 23 HG21 VAL 23 37.623 -10.918 1.631 188 HG22 VAL 23 HG22 VAL 23 36.618 -11.424 0.272 189 HG23 VAL 23 HG23 VAL 23 35.882 -10.636 1.668 190 H ALA 24 HN ALA 24 39.601 -7.053 0.197 191 HA ALA 24 HA ALA 24 40.806 -7.938 2.794 192 HB1 ALA 24 HB1 ALA 24 42.606 -8.242 1.221 193 HB2 ALA 24 HB2 ALA 24 42.923 -6.736 2.082 194 HB3 ALA 24 HB3 ALA 24 42.266 -6.693 0.448 195 H THR 25 HN THR 25 41.251 -6.152 4.228 196 HA THR 25 HA THR 25 39.659 -3.693 3.554 197 HB THR 25 HB THR 25 40.700 -4.501 6.278 198 HG1 THR 25 HG1 THR 25 38.297 -5.237 4.969 199 HG21 THR 25 HG21 THR 25 38.893 -3.090 7.066 200 HG22 THR 25 HG22 THR 25 38.298 -2.876 5.419 201 HG23 THR 25 HG23 THR 25 39.850 -2.184 5.894 202 H VAL 26 HN VAL 26 40.614 -1.630 3.728 203 HA VAL 26 HA VAL 26 43.442 -1.452 4.597 204 HB VAL 26 HB VAL 26 43.295 -1.914 2.062 205 HG11 VAL 26 HG11 VAL 26 42.623 -0.144 0.624 206 HG12 VAL 26 HG12 VAL 26 42.519 1.006 1.952 207 HG13 VAL 26 HG13 VAL 26 41.327 -0.288 1.811 208 HG21 VAL 26 HG21 VAL 26 45.309 -1.018 3.132 209 HG22 VAL 26 HG22 VAL 26 44.630 0.609 3.089 210 HG23 VAL 26 HG23 VAL 26 45.047 -0.211 1.585 211 H GLN 27 HN GLN 27 43.723 0.343 5.773 212 HA GLN 27 HA GLN 27 41.558 2.323 5.962 213 HB2 GLN 27 HB2 GLN 27 44.237 2.060 7.367 214 HB3 GLN 27 HB1 GLN 27 43.078 3.346 7.704 215 HG2 GLN 27 HG2 GLN 27 41.388 1.694 8.347 216 HG3 GLN 27 HG1 GLN 27 42.496 0.381 7.949 217 HE21 GLN 27 HE21 GLN 27 43.683 3.338 9.476 218 HE22 GLN 27 HE22 GLN 27 44.020 2.638 10.985 219 H LYS 28 HN LYS 28 41.500 3.976 4.505 220 HA LYS 28 HA LYS 28 44.093 5.179 3.595 221 HB2 LYS 28 HB2 LYS 28 43.020 3.635 1.891 222 HB3 LYS 28 HB1 LYS 28 41.667 4.767 1.833 223 HG2 LYS 28 HG2 LYS 28 43.407 6.588 1.352 224 HG3 LYS 28 HG1 LYS 28 44.550 5.273 1.070 225 HD2 LYS 28 HD2 LYS 28 41.898 5.598 -0.367 226 HD3 LYS 28 HD1 LYS 28 43.466 6.049 -1.035 227 HE2 LYS 28 HE2 LYS 28 43.125 3.894 -1.911 228 HE3 LYS 28 HE1 LYS 28 44.142 3.583 -0.504 229 HZ1 LYS 28 HZ1 LYS 28 42.506 2.496 0.521 230 HZ2 LYS 28 HZ2 LYS 28 41.752 2.419 -0.999 231 HZ3 LYS 28 HZ3 LYS 28 41.333 3.646 0.098 232 H ASP 29 HN ASP 29 44.049 7.473 3.880 233 HA ASP 29 HA ASP 29 43.117 9.597 4.428 234 HB2 ASP 29 HB2 ASP 29 40.785 8.624 2.754 235 HB3 ASP 29 HB1 ASP 29 41.301 10.290 3.017 236 H GLY 30 HN GLY 30 42.503 7.286 6.191 237 HA2 GLY 30 HA2 GLY 30 41.277 7.137 8.208 238 HA3 GLY 30 HA1 GLY 30 40.370 8.569 7.721 239 H ARG 31 HN ARG 31 39.723 7.318 5.072 240 HA ARG 31 HA ARG 31 37.392 5.764 6.022 241 HB2 ARG 31 HB2 ARG 31 37.786 7.629 3.950 242 HB3 ARG 31 HB1 ARG 31 37.604 6.097 3.105 243 HG2 ARG 31 HG2 ARG 31 35.663 7.338 5.084 244 HG3 ARG 31 HG1 ARG 31 35.407 7.091 3.359 245 HD2 ARG 31 HD2 ARG 31 35.945 4.527 4.107 246 HD3 ARG 31 HD1 ARG 31 35.213 5.127 5.593 247 HE ARG 31 HE ARG 31 33.479 5.983 3.611 248 HH11 ARG 31 HH21 ARG 31 34.927 3.002 4.560 249 HH12 ARG 31 HH22 ARG 31 33.594 2.032 4.028 250 HH21 ARG 31 HH11 ARG 31 31.731 4.734 2.911 251 HH22 ARG 31 HH12 ARG 31 31.785 3.012 3.094 252 H ARG 32 HN ARG 32 37.041 3.660 5.538 253 HA ARG 32 HA ARG 32 39.388 2.081 4.640 254 HB2 ARG 32 HB2 ARG 32 38.672 0.575 6.198 255 HB3 ARG 32 HB1 ARG 32 37.514 1.795 6.705 256 HG2 ARG 32 HG2 ARG 32 35.878 0.866 5.050 257 HG3 ARG 32 HG1 ARG 32 37.030 -0.421 4.688 258 HD2 ARG 32 HD2 ARG 32 37.005 -1.086 7.082 259 HD3 ARG 32 HD1 ARG 32 35.792 0.156 7.395 260 HE ARG 32 HE ARG 32 34.679 -1.347 5.353 261 HH11 ARG 32 HH21 ARG 32 36.045 -1.970 8.457 262 HH12 ARG 32 HH22 ARG 32 35.045 -3.350 8.767 263 HH21 ARG 32 HH11 ARG 32 33.365 -3.145 5.740 264 HH22 ARG 32 HH12 ARG 32 33.528 -4.015 7.229 265 H VAL 33 HN VAL 33 39.249 0.578 2.918 266 HA VAL 33 HA VAL 33 36.745 0.549 1.289 267 HB VAL 33 HB VAL 33 39.493 1.244 0.190 268 HG11 VAL 33 HG11 VAL 33 38.417 -0.262 -1.362 269 HG12 VAL 33 HG12 VAL 33 38.199 1.369 -1.993 270 HG13 VAL 33 HG13 VAL 33 36.870 0.560 -1.169 271 HG21 VAL 33 HG21 VAL 33 36.878 2.746 0.474 272 HG22 VAL 33 HG22 VAL 33 38.097 3.233 -0.703 273 HG23 VAL 33 HG23 VAL 33 38.481 3.245 1.016 274 H GLU 34 HN GLU 34 36.489 -1.339 0.114 275 HA GLU 34 HA GLU 34 38.376 -3.556 0.838 276 HB2 GLU 34 HB2 GLU 34 35.394 -3.420 0.405 277 HB3 GLU 34 HB1 GLU 34 36.236 -4.961 0.245 278 HG2 GLU 34 HG2 GLU 34 37.006 -4.881 2.507 279 HG3 GLU 34 HG1 GLU 34 36.533 -3.191 2.682 280 H PHE 35 HN PHE 35 39.789 -3.733 -0.937 281 HA PHE 35 HA PHE 35 38.620 -3.705 -3.679 282 HB2 PHE 35 HB2 PHE 35 41.425 -3.632 -2.565 283 HB3 PHE 35 HB1 PHE 35 41.173 -4.133 -4.230 284 HD1 PHE 35 HD2 PHE 35 39.309 -2.476 -5.479 285 HD2 PHE 35 HD1 PHE 35 42.027 -1.405 -2.328 286 HE1 PHE 35 HE2 PHE 35 39.190 -0.102 -6.176 287 HE2 PHE 35 HE1 PHE 35 41.917 0.964 -3.031 288 HZ PHE 35 HZ PHE 35 40.493 1.619 -4.956 289 H THR 36 HN THR 36 38.613 -5.588 -4.975 290 HA THR 36 HA THR 36 39.187 -8.150 -3.521 291 HB THR 36 HB THR 36 37.651 -9.209 -5.088 292 HG1 THR 36 HG1 THR 36 36.943 -6.790 -6.247 293 HG21 THR 36 HG21 THR 36 35.643 -8.306 -4.291 294 HG22 THR 36 HG22 THR 36 36.248 -6.653 -4.349 295 HG23 THR 36 HG23 THR 36 36.807 -7.753 -3.090 296 H ALA 37 HN ALA 37 40.008 -9.943 -5.133 297 HA ALA 37 HA ALA 37 42.473 -9.124 -6.274 298 HB1 ALA 37 HB1 ALA 37 42.278 -11.344 -7.575 299 HB2 ALA 37 HB2 ALA 37 40.744 -11.557 -6.735 300 HB3 ALA 37 HB3 ALA 37 42.244 -11.440 -5.816 301 H THR 38 HN THR 38 39.333 -8.616 -7.457 302 HA THR 38 HA THR 38 39.756 -8.818 -10.276 303 HB THR 38 HB THR 38 37.804 -7.301 -10.474 304 HG1 THR 38 HG1 THR 38 37.212 -6.102 -8.853 305 HG21 THR 38 HG21 THR 38 37.697 -9.824 -9.715 306 HG22 THR 38 HG22 THR 38 36.245 -8.826 -9.637 307 HG23 THR 38 HG23 THR 38 37.178 -9.134 -8.175 308 H SER 39 HN SER 39 40.743 -6.411 -7.952 309 HA SER 39 HA SER 39 41.878 -4.762 -10.198 310 HB2 SER 39 HB2 SER 39 41.294 -2.753 -9.089 311 HB3 SER 39 HB1 SER 39 39.850 -3.754 -8.966 312 HG SER 39 HG SER 39 41.873 -3.377 -7.005 313 H VAL 40 HN VAL 40 43.492 -6.672 -9.204 314 HA VAL 40 HA VAL 40 44.980 -5.703 -6.871 315 HB VAL 40 HB VAL 40 44.850 -8.097 -7.184 316 HG11 VAL 40 HG11 VAL 40 45.746 -9.226 -9.163 317 HG12 VAL 40 HG12 VAL 40 46.301 -7.696 -9.835 318 HG13 VAL 40 HG13 VAL 40 44.572 -8.022 -9.698 319 HG21 VAL 40 HG21 VAL 40 47.179 -8.645 -6.955 320 HG22 VAL 40 HG22 VAL 40 47.027 -6.984 -6.372 321 HG23 VAL 40 HG23 VAL 40 47.665 -7.299 -7.985 322 H SER 41 HN SER 41 45.000 -4.908 -10.194 323 HA SER 41 HA SER 41 47.835 -4.383 -10.475 324 HB2 SER 41 HB2 SER 41 47.115 -3.066 -12.471 325 HB3 SER 41 HB1 SER 41 46.454 -4.697 -12.454 326 HG SER 41 HG SER 41 45.132 -2.443 -12.611 327 H ASP 42 HN ASP 42 44.999 -2.325 -9.772 328 HA ASP 42 HA ASP 42 46.355 0.153 -9.613 329 HB2 ASP 42 HB2 ASP 42 44.488 0.927 -8.276 330 HB3 ASP 42 HB1 ASP 42 43.858 -0.187 -9.491 331 H LEU 43 HN LEU 43 46.047 -2.454 -7.156 332 HA LEU 43 HA LEU 43 47.184 -0.953 -5.009 333 HB2 LEU 43 HB2 LEU 43 45.989 -3.258 -4.964 334 HB3 LEU 43 HB1 LEU 43 47.561 -3.928 -5.379 335 HG LEU 43 HG LEU 43 48.540 -2.897 -3.338 336 HD11 LEU 43 HD11 LEU 43 46.555 -2.189 -1.643 337 HD12 LEU 43 HD12 LEU 43 45.784 -1.713 -3.155 338 HD13 LEU 43 HD13 LEU 43 47.336 -1.018 -2.698 339 HD21 LEU 43 HD21 LEU 43 46.033 -4.444 -2.635 340 HD22 LEU 43 HD22 LEU 43 47.588 -4.469 -1.806 341 HD23 LEU 43 HD23 LEU 43 47.428 -5.197 -3.406 342 H LYS 44 HN LYS 44 48.607 -2.840 -7.643 343 HA LYS 44 HA LYS 44 51.313 -2.740 -6.656 344 HB2 LYS 44 HB2 LYS 44 49.992 -3.333 -9.276 345 HB3 LYS 44 HB1 LYS 44 51.702 -2.913 -9.333 346 HG2 LYS 44 HG2 LYS 44 52.299 -4.735 -7.911 347 HG3 LYS 44 HG1 LYS 44 50.621 -5.030 -7.461 348 HD2 LYS 44 HD2 LYS 44 50.079 -5.856 -9.632 349 HD3 LYS 44 HD1 LYS 44 51.586 -5.247 -10.317 350 HE2 LYS 44 HE2 LYS 44 51.508 -7.334 -8.130 351 HE3 LYS 44 HE1 LYS 44 51.541 -7.747 -9.846 352 HZ1 LYS 44 HZ1 LYS 44 53.704 -7.344 -9.922 353 HZ2 LYS 44 HZ2 LYS 44 53.698 -7.156 -8.233 354 HZ3 LYS 44 HZ3 LYS 44 53.511 -5.802 -9.241 355 H LYS 45 HN LYS 45 49.469 -0.608 -8.851 356 HA LYS 45 HA LYS 45 51.664 1.168 -9.383 357 HB2 LYS 45 HB2 LYS 45 49.423 0.925 -10.632 358 HB3 LYS 45 HB1 LYS 45 48.751 1.964 -9.379 359 HG2 LYS 45 HG2 LYS 45 50.379 3.718 -9.912 360 HG3 LYS 45 HG1 LYS 45 51.142 2.672 -11.106 361 HD2 LYS 45 HD2 LYS 45 49.696 4.126 -12.339 362 HD3 LYS 45 HD1 LYS 45 48.891 2.559 -12.287 363 HE2 LYS 45 HE2 LYS 45 47.327 3.284 -10.666 364 HE3 LYS 45 HE1 LYS 45 48.305 4.679 -10.216 365 HZ1 LYS 45 HZ1 LYS 45 46.320 4.486 -12.202 366 HZ2 LYS 45 HZ2 LYS 45 47.800 4.886 -12.935 367 HZ3 LYS 45 HZ3 LYS 45 47.176 5.856 -11.686 368 H TYR 46 HN TYR 46 49.076 1.190 -6.951 369 HA TYR 46 HA TYR 46 49.612 3.741 -5.822 370 HB2 TYR 46 HB2 TYR 46 47.610 2.424 -5.286 371 HB3 TYR 46 HB1 TYR 46 48.609 1.206 -4.507 372 HD1 TYR 46 HD1 TYR 46 48.248 4.954 -4.385 373 HD2 TYR 46 HD2 TYR 46 48.608 1.283 -2.174 374 HE1 TYR 46 HE1 TYR 46 48.094 6.216 -2.258 375 HE2 TYR 46 HE2 TYR 46 48.453 2.547 -0.049 376 HH TYR 46 HH TYR 46 48.533 4.614 0.868 377 H ILE 47 HN ILE 47 50.826 0.523 -4.831 378 HA ILE 47 HA ILE 47 52.541 1.352 -2.754 379 HB ILE 47 HB ILE 47 52.960 -0.844 -4.804 380 HG12 ILE 47 HG12 ILE 47 51.996 -1.176 -1.957 381 HG13 ILE 47 HG11 ILE 47 50.861 -0.817 -3.258 382 HG21 ILE 47 HG21 ILE 47 55.072 -0.440 -3.771 383 HG22 ILE 47 HG22 ILE 47 54.381 -1.820 -2.918 384 HG23 ILE 47 HG23 ILE 47 54.335 -0.216 -2.185 385 HD11 ILE 47 HD11 ILE 47 52.833 -3.053 -3.645 386 HD12 ILE 47 HD12 ILE 47 51.219 -2.852 -4.323 387 HD13 ILE 47 HD13 ILE 47 51.410 -3.329 -2.637 388 H ALA 48 HN ALA 48 53.349 0.899 -6.206 389 HA ALA 48 HA ALA 48 56.008 1.774 -6.118 390 HB1 ALA 48 HB1 ALA 48 55.741 2.334 -8.507 391 HB2 ALA 48 HB2 ALA 48 53.988 2.246 -8.329 392 HB3 ALA 48 HB3 ALA 48 54.968 0.795 -8.126 393 H GLU 49 HN GLU 49 53.042 3.725 -6.393 394 HA GLU 49 HA GLU 49 54.261 6.230 -6.867 395 HB2 GLU 49 HB2 GLU 49 51.752 5.574 -6.851 396 HB3 GLU 49 HB1 GLU 49 51.817 5.902 -5.120 397 HG2 GLU 49 HG2 GLU 49 52.776 8.168 -5.673 398 HG3 GLU 49 HG1 GLU 49 52.444 7.823 -7.370 399 H LEU 50 HN LEU 50 54.019 4.344 -3.919 400 HA LEU 50 HA LEU 50 54.749 6.605 -2.195 401 HB2 LEU 50 HB2 LEU 50 54.841 3.651 -1.523 402 HB3 LEU 50 HB1 LEU 50 54.765 5.003 -0.393 403 HG LEU 50 HG LEU 50 52.613 4.218 -2.381 404 HD11 LEU 50 HD11 LEU 50 52.487 4.252 0.639 405 HD12 LEU 50 HD12 LEU 50 52.953 2.815 -0.271 406 HD13 LEU 50 HD13 LEU 50 51.350 3.513 -0.487 407 HD21 LEU 50 HD21 LEU 50 52.955 6.587 -0.539 408 HD22 LEU 50 HD22 LEU 50 51.342 6.004 -0.946 409 HD23 LEU 50 HD23 LEU 50 52.422 6.560 -2.220 410 H GLU 51 HN GLU 51 56.435 3.988 -3.854 411 HA GLU 51 HA GLU 51 58.913 4.229 -2.426 412 HB2 GLU 51 HB2 GLU 51 58.223 3.234 -5.196 413 HB3 GLU 51 HB1 GLU 51 59.879 3.239 -4.591 414 HG2 GLU 51 HG2 GLU 51 59.353 1.737 -2.823 415 HG3 GLU 51 HG1 GLU 51 57.617 1.967 -3.040 416 H VAL 52 HN VAL 52 57.484 6.031 -5.082 417 HA VAL 52 HA VAL 52 59.971 7.473 -5.667 418 HB VAL 52 HB VAL 52 57.146 8.127 -6.559 419 HG11 VAL 52 HG11 VAL 52 58.456 9.127 -8.501 420 HG12 VAL 52 HG12 VAL 52 59.910 8.898 -7.531 421 HG13 VAL 52 HG13 VAL 52 58.632 9.973 -6.964 422 HG21 VAL 52 HG21 VAL 52 57.691 5.832 -7.209 423 HG22 VAL 52 HG22 VAL 52 59.262 6.350 -7.819 424 HG23 VAL 52 HG23 VAL 52 57.787 6.873 -8.630 425 H GLN 53 HN GLN 53 57.093 7.934 -3.688 426 HA GLN 53 HA GLN 53 57.664 10.758 -3.180 427 HB2 GLN 53 HB2 GLN 53 55.739 8.764 -1.968 428 HB3 GLN 53 HB1 GLN 53 55.903 10.409 -1.354 429 HG2 GLN 53 HG2 GLN 53 55.337 11.319 -3.554 430 HG3 GLN 53 HG1 GLN 53 55.244 9.690 -4.225 431 HE21 GLN 53 HE21 GLN 53 54.027 10.696 -1.013 432 HE22 GLN 53 HE22 GLN 53 52.395 10.376 -1.355 433 H THR 54 HN THR 54 58.227 7.665 -1.539 434 HA THR 54 HA THR 54 59.605 9.081 0.690 435 HB THR 54 HB THR 54 59.255 6.087 0.474 436 HG1 THR 54 HG1 THR 54 57.339 7.616 1.780 437 HG21 THR 54 HG21 THR 54 59.342 8.055 2.780 438 HG22 THR 54 HG22 THR 54 60.623 6.937 2.314 439 HG23 THR 54 HG23 THR 54 59.100 6.317 2.949 440 H GLY 55 HN GLY 55 60.504 8.464 -2.253 441 HA2 GLY 55 HA2 GLY 55 63.054 7.033 -1.641 442 HA3 GLY 55 HA1 GLY 55 62.411 7.335 -3.256 443 H MET 56 HN MET 56 64.267 8.677 -0.632 444 HA MET 56 HA MET 56 64.441 11.349 -1.796 445 HB2 MET 56 HB2 MET 56 65.915 9.935 0.434 446 HB3 MET 56 HB1 MET 56 66.347 11.563 -0.089 447 HG2 MET 56 HG2 MET 56 64.781 11.683 1.793 448 HG3 MET 56 HG1 MET 56 64.012 12.297 0.329 449 HE1 MET 56 HE1 MET 56 61.464 11.835 0.408 450 HE2 MET 56 HE2 MET 56 62.060 12.057 2.052 451 HE3 MET 56 HE3 MET 56 60.895 10.781 1.709 452 H THR 57 HN THR 57 66.582 12.246 -2.515 453 HA THR 57 HA THR 57 67.811 10.426 -4.445 454 HB THR 57 HB THR 57 69.291 12.501 -4.863 455 HG1 THR 57 HG1 THR 57 68.976 14.153 -3.621 456 HG21 THR 57 HG21 THR 57 67.304 13.752 -5.879 457 HG22 THR 57 HG22 THR 57 66.285 12.501 -5.167 458 HG23 THR 57 HG23 THR 57 67.499 12.070 -6.371 459 H GLN 58 HN GLN 58 69.771 9.403 -4.236 460 HA GLN 58 HA GLN 58 71.021 9.375 -1.587 461 HB2 GLN 58 HB2 GLN 58 70.762 7.313 -2.982 462 HB3 GLN 58 HB1 GLN 58 71.904 7.997 -4.139 463 HG2 GLN 58 HG2 GLN 58 73.654 8.062 -2.455 464 HG3 GLN 58 HG1 GLN 58 72.522 7.541 -1.206 465 HE21 GLN 58 HE21 GLN 58 71.561 5.302 -1.504 466 HE22 GLN 58 HE22 GLN 58 72.478 4.126 -2.314 467 H ARG 59 HN ARG 59 72.445 10.932 -1.037 468 HA ARG 59 HA ARG 59 74.172 12.508 -1.214 469 HB2 ARG 59 HB2 ARG 59 75.300 10.314 -1.941 470 HB3 ARG 59 HB1 ARG 59 75.112 10.899 -3.591 471 HG2 ARG 59 HG2 ARG 59 77.287 11.618 -2.913 472 HG3 ARG 59 HG1 ARG 59 76.263 13.041 -2.855 473 HD2 ARG 59 HD2 ARG 59 76.680 13.320 -0.641 474 HD3 ARG 59 HD1 ARG 59 76.155 11.684 -0.274 475 HE ARG 59 HE ARG 59 78.839 12.619 -0.243 476 HH11 ARG 59 HH21 ARG 59 77.020 10.024 -1.617 477 HH12 ARG 59 HH22 ARG 59 78.391 8.976 -1.756 478 HH21 ARG 59 HH11 ARG 59 80.617 11.264 -0.417 479 HH22 ARG 59 HH12 ARG 59 80.422 9.676 -1.078 480 H ARG 60 HN ARG 60 73.326 14.440 -1.898 481 HA ARG 60 HA ARG 60 73.700 15.257 -4.636 482 HB2 ARG 60 HB2 ARG 60 71.551 13.822 -4.687 483 HB3 ARG 60 HB1 ARG 60 70.797 15.147 -3.800 484 HG2 ARG 60 HG2 ARG 60 71.481 16.717 -5.597 485 HG3 ARG 60 HG1 ARG 60 72.172 15.365 -6.494 486 HD2 ARG 60 HD2 ARG 60 69.995 14.303 -6.678 487 HD3 ARG 60 HD1 ARG 60 69.268 15.536 -5.647 488 HE ARG 60 HE ARG 60 70.363 16.987 -7.737 489 HH11 ARG 60 HH21 ARG 60 68.242 14.290 -7.404 490 HH12 ARG 60 HH22 ARG 60 67.348 14.644 -8.844 491 HH21 ARG 60 HH11 ARG 60 69.209 17.466 -9.620 492 HH22 ARG 60 HH12 ARG 60 67.896 16.444 -10.099 493 H ARG 61 HN ARG 61 74.614 16.352 -2.290 494 HA ARG 61 HA ARG 61 72.843 18.474 -1.353 495 HB2 ARG 61 HB2 ARG 61 75.845 18.279 -0.978 496 HB3 ARG 61 HB1 ARG 61 74.696 19.174 0.017 497 HG2 ARG 61 HG2 ARG 61 74.713 16.158 -0.315 498 HG3 ARG 61 HG1 ARG 61 75.373 17.023 1.072 499 HD2 ARG 61 HD2 ARG 61 73.009 18.103 1.245 500 HD3 ARG 61 HD1 ARG 61 72.496 16.769 0.211 501 HE ARG 61 HE ARG 61 73.906 15.522 2.243 502 HH11 ARG 61 HH21 ARG 61 71.308 17.778 2.015 503 HH12 ARG 61 HH22 ARG 61 70.542 17.246 3.474 504 HH21 ARG 61 HH11 ARG 61 72.920 14.815 4.151 505 HH22 ARG 61 HH12 ARG 61 71.454 15.568 4.684 506 H GLY 62 HN GLY 62 75.618 18.245 -3.561 507 HA2 GLY 62 HA2 GLY 62 74.729 20.409 -5.195 508 HA3 GLY 62 HA1 GLY 62 75.950 21.015 -4.074 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 55.458 9.615 12.269 2 H2 MET 1 HT2 MET 1 55.738 11.065 11.429 3 H3 MET 1 HT3 MET 1 57.046 10.100 11.921 4 HA MET 1 HA MET 1 55.911 10.057 9.466 5 HB2 MET 1 HB2 MET 1 57.465 7.936 10.977 6 HB3 MET 1 HB1 MET 1 57.193 7.897 9.234 7 HG2 MET 1 HG2 MET 1 58.458 10.255 10.649 8 HG3 MET 1 HG1 MET 1 59.397 8.934 9.952 9 HE1 MET 1 HE1 MET 1 60.205 8.841 7.730 10 HE2 MET 1 HE2 MET 1 59.280 9.253 6.289 11 HE3 MET 1 HE3 MET 1 58.662 8.040 7.407 12 H VAL 2 HN VAL 2 54.599 8.542 8.311 13 HA VAL 2 HA VAL 2 53.094 6.525 9.882 14 HB VAL 2 HB VAL 2 51.695 8.675 8.264 15 HG11 VAL 2 HG11 VAL 2 50.451 6.611 8.252 16 HG12 VAL 2 HG12 VAL 2 49.681 7.676 9.429 17 HG13 VAL 2 HG13 VAL 2 50.732 6.369 9.976 18 HG21 VAL 2 HG21 VAL 2 52.062 8.315 11.251 19 HG22 VAL 2 HG22 VAL 2 50.830 9.364 10.549 20 HG23 VAL 2 HG23 VAL 2 52.538 9.705 10.274 21 H ARG 3 HN ARG 3 53.711 8.058 6.731 22 HA ARG 3 HA ARG 3 52.517 6.144 5.048 23 HB2 ARG 3 HB2 ARG 3 55.084 7.713 4.672 24 HB3 ARG 3 HB1 ARG 3 54.303 6.784 3.390 25 HG2 ARG 3 HG2 ARG 3 52.336 8.155 3.477 26 HG3 ARG 3 HG1 ARG 3 52.870 8.936 4.966 27 HD2 ARG 3 HD2 ARG 3 54.405 9.109 2.361 28 HD3 ARG 3 HD1 ARG 3 53.215 10.311 2.864 29 HE ARG 3 HE ARG 3 54.927 10.128 5.035 30 HH11 ARG 3 HH21 ARG 3 55.234 10.660 1.643 31 HH12 ARG 3 HH22 ARG 3 56.641 11.658 1.791 32 HH21 ARG 3 HH11 ARG 3 56.763 11.429 5.250 33 HH22 ARG 3 HH12 ARG 3 57.507 12.093 3.834 34 H GLN 4 HN GLN 4 55.287 5.846 7.101 35 HA GLN 4 HA GLN 4 56.516 3.617 5.715 36 HB2 GLN 4 HB2 GLN 4 56.764 4.806 8.474 37 HB3 GLN 4 HB1 GLN 4 57.541 3.267 8.103 38 HG2 GLN 4 HG2 GLN 4 58.747 4.311 6.231 39 HG3 GLN 4 HG1 GLN 4 57.957 5.851 6.567 40 HE21 GLN 4 HE21 GLN 4 60.528 6.275 6.756 41 HE22 GLN 4 HE22 GLN 4 61.136 6.181 8.337 42 H GLU 5 HN GLU 5 54.429 3.860 8.607 43 HA GLU 5 HA GLU 5 54.129 1.012 8.916 44 HB2 GLU 5 HB2 GLU 5 53.691 2.524 10.782 45 HB3 GLU 5 HB1 GLU 5 52.398 3.310 9.876 46 HG2 GLU 5 HG2 GLU 5 51.043 1.336 9.918 47 HG3 GLU 5 HG1 GLU 5 52.381 0.351 10.512 48 H GLU 6 HN GLU 6 52.169 3.511 7.306 49 HA GLU 6 HA GLU 6 50.019 1.768 6.582 50 HB2 GLU 6 HB2 GLU 6 51.002 4.393 5.432 51 HB3 GLU 6 HB1 GLU 6 49.632 3.528 4.736 52 HG2 GLU 6 HG2 GLU 6 48.462 3.593 6.883 53 HG3 GLU 6 HG1 GLU 6 49.851 4.374 7.640 54 H LEU 7 HN LEU 7 53.251 2.027 5.373 55 HA LEU 7 HA LEU 7 52.664 0.977 2.720 56 HB2 LEU 7 HB2 LEU 7 54.707 2.272 3.074 57 HB3 LEU 7 HB1 LEU 7 55.237 1.147 4.318 58 HG LEU 7 HG LEU 7 55.524 -0.624 2.711 59 HD11 LEU 7 HD11 LEU 7 53.734 -0.432 1.197 60 HD12 LEU 7 HD12 LEU 7 55.125 0.014 0.213 61 HD13 LEU 7 HD13 LEU 7 54.070 1.268 0.864 62 HD21 LEU 7 HD21 LEU 7 56.610 2.032 1.730 63 HD22 LEU 7 HD22 LEU 7 57.165 0.468 1.132 64 HD23 LEU 7 HD23 LEU 7 57.400 0.898 2.826 65 H ALA 8 HN ALA 8 53.961 -0.368 5.754 66 HA ALA 8 HA ALA 8 54.243 -3.047 4.797 67 HB1 ALA 8 HB1 ALA 8 53.692 -2.093 7.625 68 HB2 ALA 8 HB2 ALA 8 55.289 -2.250 6.892 69 HB3 ALA 8 HB3 ALA 8 54.303 -3.684 7.177 70 H ALA 9 HN ALA 9 51.455 -1.221 5.803 71 HA ALA 9 HA ALA 9 49.767 -3.514 6.381 72 HB1 ALA 9 HB1 ALA 9 49.116 -1.455 7.394 73 HB2 ALA 9 HB2 ALA 9 47.912 -1.763 6.142 74 HB3 ALA 9 HB3 ALA 9 49.198 -0.591 5.859 75 H ALA 10 HN ALA 10 49.808 -1.182 3.636 76 HA ALA 10 HA ALA 10 47.948 -2.617 2.047 77 HB1 ALA 10 HB1 ALA 10 49.423 -1.498 0.107 78 HB2 ALA 10 HB2 ALA 10 50.091 -0.613 1.477 79 HB3 ALA 10 HB3 ALA 10 48.368 -0.524 1.133 80 H ARG 11 HN ARG 11 51.322 -3.111 2.709 81 HA ARG 11 HA ARG 11 51.812 -4.989 0.556 82 HB2 ARG 11 HB2 ARG 11 53.422 -3.641 2.283 83 HB3 ARG 11 HB1 ARG 11 53.354 -5.179 3.133 84 HG2 ARG 11 HG2 ARG 11 55.135 -5.648 1.750 85 HG3 ARG 11 HG1 ARG 11 53.847 -6.122 0.649 86 HD2 ARG 11 HD2 ARG 11 53.956 -3.506 0.026 87 HD3 ARG 11 HD1 ARG 11 55.615 -3.705 0.580 88 HE ARG 11 HE ARG 11 54.627 -4.512 -1.950 89 HH11 ARG 11 HH21 ARG 11 56.424 -5.841 0.685 90 HH12 ARG 11 HH22 ARG 11 57.069 -7.143 -0.251 91 HH21 ARG 11 HH11 ARG 11 55.484 -6.186 -3.174 92 HH22 ARG 11 HH12 ARG 11 56.549 -7.333 -2.432 93 H ALA 12 HN ALA 12 51.136 -5.371 4.100 94 HA ALA 12 HA ALA 12 51.083 -8.186 4.134 95 HB1 ALA 12 HB1 ALA 12 49.613 -7.981 6.111 96 HB2 ALA 12 HB2 ALA 12 49.324 -6.289 5.708 97 HB3 ALA 12 HB3 ALA 12 50.937 -6.818 6.184 98 H ALA 13 HN ALA 13 49.001 -5.998 2.656 99 HA ALA 13 HA ALA 13 46.676 -7.759 2.516 100 HB1 ALA 13 HB1 ALA 13 47.195 -5.384 0.721 101 HB2 ALA 13 HB2 ALA 13 46.663 -5.183 2.390 102 HB3 ALA 13 HB3 ALA 13 45.645 -6.048 1.238 103 H LEU 14 HN LEU 14 49.422 -6.919 0.401 104 HA LEU 14 HA LEU 14 48.391 -8.326 -1.864 105 HB2 LEU 14 HB2 LEU 14 50.629 -6.759 -1.430 106 HB3 LEU 14 HB1 LEU 14 51.336 -8.340 -1.714 107 HG LEU 14 HG LEU 14 49.310 -7.010 -3.549 108 HD11 LEU 14 HD11 LEU 14 51.113 -6.394 -4.963 109 HD12 LEU 14 HD12 LEU 14 52.271 -7.343 -4.031 110 HD13 LEU 14 HD13 LEU 14 51.584 -5.869 -3.350 111 HD21 LEU 14 HD21 LEU 14 49.363 -9.484 -3.640 112 HD22 LEU 14 HD22 LEU 14 51.104 -9.430 -3.909 113 HD23 LEU 14 HD23 LEU 14 50.003 -8.771 -5.118 114 H HIS 15 HN HIS 15 50.031 -9.383 1.020 115 HA HIS 15 HA HIS 15 50.668 -12.033 -0.023 116 HB2 HIS 15 HB2 HIS 15 51.926 -11.019 1.869 117 HB3 HIS 15 HB1 HIS 15 50.461 -11.070 2.849 118 HD1 HIS 15 HD1 HIS 15 49.786 -13.310 3.861 119 HD2 HIS 15 HD2 HIS 15 53.012 -13.635 1.240 120 HE1 HIS 15 HE1 HIS 15 50.689 -15.662 4.124 121 H ASP 16 HN ASP 16 48.005 -10.512 1.699 122 HA ASP 16 HA ASP 16 46.651 -13.003 2.324 123 HB2 ASP 16 HB2 ASP 16 46.306 -10.869 3.586 124 HB3 ASP 16 HB1 ASP 16 45.488 -10.211 2.169 125 H LEU 17 HN LEU 17 46.507 -10.662 -0.327 126 HA LEU 17 HA LEU 17 44.133 -11.832 -1.517 127 HB2 LEU 17 HB2 LEU 17 46.240 -10.008 -2.716 128 HB3 LEU 17 HB1 LEU 17 44.707 -10.404 -3.471 129 HG LEU 17 HG LEU 17 44.852 -9.209 -0.696 130 HD11 LEU 17 HD11 LEU 17 46.007 -7.716 -2.347 131 HD12 LEU 17 HD12 LEU 17 44.542 -7.005 -1.676 132 HD13 LEU 17 HD13 LEU 17 44.525 -7.689 -3.300 133 HD21 LEU 17 HD21 LEU 17 42.686 -10.074 -1.113 134 HD22 LEU 17 HD22 LEU 17 42.707 -9.564 -2.800 135 HD23 LEU 17 HD23 LEU 17 42.538 -8.369 -1.522 136 H MET 18 HN MET 18 47.539 -12.574 -1.681 137 HA MET 18 HA MET 18 47.203 -14.168 -4.146 138 HB2 MET 18 HB2 MET 18 49.415 -12.977 -2.691 139 HB3 MET 18 HB1 MET 18 49.751 -14.687 -2.935 140 HG2 MET 18 HG2 MET 18 50.629 -13.500 -4.840 141 HG3 MET 18 HG1 MET 18 49.186 -14.357 -5.381 142 HE1 MET 18 HE1 MET 18 50.453 -12.232 -7.015 143 HE2 MET 18 HE2 MET 18 49.196 -11.082 -7.465 144 HE3 MET 18 HE3 MET 18 48.863 -12.811 -7.528 145 H THR 19 HN THR 19 46.683 -14.641 -0.832 146 HA THR 19 HA THR 19 47.356 -17.537 -0.922 147 HB THR 19 HB THR 19 46.383 -17.338 1.518 148 HG1 THR 19 HG1 THR 19 45.682 -15.086 0.803 149 HG21 THR 19 HG21 THR 19 48.767 -17.673 0.971 150 HG22 THR 19 HG22 THR 19 48.576 -16.558 2.324 151 HG23 THR 19 HG23 THR 19 48.951 -15.938 0.716 152 H GLY 20 HN GLY 20 44.749 -15.593 -1.758 153 HA2 GLY 20 HA2 GLY 20 42.870 -16.989 -2.780 154 HA3 GLY 20 HA1 GLY 20 42.777 -17.802 -1.220 155 H LYS 21 HN LYS 21 43.007 -15.617 0.517 156 HA LYS 21 HA LYS 21 40.392 -14.693 0.781 157 HB2 LYS 21 HB2 LYS 21 43.024 -13.496 1.640 158 HB3 LYS 21 HB1 LYS 21 41.513 -12.658 1.977 159 HG2 LYS 21 HG2 LYS 21 42.290 -14.128 3.836 160 HG3 LYS 21 HG1 LYS 21 40.688 -14.547 3.232 161 HD2 LYS 21 HD2 LYS 21 41.552 -16.413 1.992 162 HD3 LYS 21 HD1 LYS 21 43.218 -15.899 2.266 163 HE2 LYS 21 HE2 LYS 21 42.885 -16.248 4.712 164 HE3 LYS 21 HE1 LYS 21 41.267 -16.863 4.377 165 HZ1 LYS 21 HZ1 LYS 21 42.698 -18.340 2.704 166 HZ2 LYS 21 HZ2 LYS 21 42.361 -18.812 4.300 167 HZ3 LYS 21 HZ3 LYS 21 43.857 -18.101 3.920 168 H ARG 22 HN ARG 22 39.408 -13.932 -1.107 169 HA ARG 22 HA ARG 22 40.740 -12.092 -2.878 170 HB2 ARG 22 HB2 ARG 22 38.681 -12.061 -4.118 171 HB3 ARG 22 HB1 ARG 22 38.941 -13.711 -3.553 172 HG2 ARG 22 HG2 ARG 22 37.487 -13.096 -1.540 173 HG3 ARG 22 HG1 ARG 22 37.038 -11.645 -2.437 174 HD2 ARG 22 HD2 ARG 22 35.383 -13.396 -2.847 175 HD3 ARG 22 HD1 ARG 22 36.289 -13.084 -4.327 176 HE ARG 22 HE ARG 22 37.682 -15.154 -3.119 177 HH11 ARG 22 HH21 ARG 22 34.418 -14.528 -4.035 178 HH12 ARG 22 HH22 ARG 22 34.046 -16.191 -4.343 179 HH21 ARG 22 HH11 ARG 22 37.215 -17.329 -3.516 180 HH22 ARG 22 HH12 ARG 22 35.629 -17.777 -4.049 181 H VAL 23 HN VAL 23 38.142 -11.686 -0.444 182 HA VAL 23 HA VAL 23 38.150 -8.762 -0.883 183 HB VAL 23 HB VAL 23 36.083 -10.082 -0.274 184 HG11 VAL 23 HG11 VAL 23 35.786 -10.912 1.944 185 HG12 VAL 23 HG12 VAL 23 37.235 -10.093 2.527 186 HG13 VAL 23 HG13 VAL 23 37.381 -11.484 1.453 187 HG21 VAL 23 HG21 VAL 23 36.154 -7.658 0.044 188 HG22 VAL 23 HG22 VAL 23 36.964 -7.858 1.599 189 HG23 VAL 23 HG23 VAL 23 35.296 -8.395 1.397 190 H ALA 24 HN ALA 24 39.292 -7.304 0.285 191 HA ALA 24 HA ALA 24 40.456 -8.084 2.917 192 HB1 ALA 24 HB1 ALA 24 42.668 -7.170 2.267 193 HB2 ALA 24 HB2 ALA 24 42.082 -6.948 0.620 194 HB3 ALA 24 HB3 ALA 24 42.236 -8.573 1.291 195 H THR 25 HN THR 25 40.978 -6.219 4.232 196 HA THR 25 HA THR 25 39.504 -3.748 3.361 197 HB THR 25 HB THR 25 40.407 -4.668 6.110 198 HG1 THR 25 HG1 THR 25 37.835 -4.458 5.991 199 HG21 THR 25 HG21 THR 25 38.928 -2.233 5.121 200 HG22 THR 25 HG22 THR 25 40.356 -2.299 6.154 201 HG23 THR 25 HG23 THR 25 38.787 -2.796 6.788 202 H VAL 26 HN VAL 26 40.511 -1.658 3.715 203 HA VAL 26 HA VAL 26 43.390 -1.630 4.367 204 HB VAL 26 HB VAL 26 43.105 -2.010 1.856 205 HG11 VAL 26 HG11 VAL 26 42.323 -0.218 0.495 206 HG12 VAL 26 HG12 VAL 26 42.286 0.901 1.851 207 HG13 VAL 26 HG13 VAL 26 41.108 -0.410 1.756 208 HG21 VAL 26 HG21 VAL 26 44.870 -0.434 1.298 209 HG22 VAL 26 HG22 VAL 26 45.143 -1.019 2.939 210 HG23 VAL 26 HG23 VAL 26 44.449 0.582 2.676 211 H GLN 27 HN GLN 27 43.901 0.167 5.483 212 HA GLN 27 HA GLN 27 41.829 2.206 5.946 213 HB2 GLN 27 HB2 GLN 27 44.653 2.377 7.006 214 HB3 GLN 27 HB1 GLN 27 43.152 2.920 7.759 215 HG2 GLN 27 HG2 GLN 27 42.468 0.485 7.912 216 HG3 GLN 27 HG1 GLN 27 44.106 0.069 7.411 217 HE21 GLN 27 HE21 GLN 27 45.657 1.918 8.814 218 HE22 GLN 27 HE22 GLN 27 45.446 1.703 10.483 219 H LYS 28 HN LYS 28 41.671 3.917 4.550 220 HA LYS 28 HA LYS 28 44.182 4.968 3.271 221 HB2 LYS 28 HB2 LYS 28 42.662 3.620 1.737 222 HB3 LYS 28 HB1 LYS 28 41.455 4.879 1.968 223 HG2 LYS 28 HG2 LYS 28 42.446 5.837 0.132 224 HG3 LYS 28 HG1 LYS 28 43.621 6.424 1.304 225 HD2 LYS 28 HD2 LYS 28 45.091 4.532 0.842 226 HD3 LYS 28 HD1 LYS 28 43.888 3.816 -0.228 227 HE2 LYS 28 HE2 LYS 28 45.357 4.903 -1.713 228 HE3 LYS 28 HE1 LYS 28 44.035 6.053 -1.544 229 HZ1 LYS 28 HZ1 LYS 28 45.381 7.529 -0.610 230 HZ2 LYS 28 HZ2 LYS 28 46.684 6.538 -1.063 231 HZ3 LYS 28 HZ3 LYS 28 46.004 6.397 0.488 232 H ASP 29 HN ASP 29 44.448 7.112 4.084 233 HA ASP 29 HA ASP 29 43.825 9.277 4.855 234 HB2 ASP 29 HB2 ASP 29 42.991 9.239 2.435 235 HB3 ASP 29 HB1 ASP 29 41.393 8.889 3.096 236 H GLY 30 HN GLY 30 42.888 6.962 6.401 237 HA2 GLY 30 HA2 GLY 30 41.551 6.691 8.316 238 HA3 GLY 30 HA1 GLY 30 40.999 8.351 8.092 239 H ARG 31 HN ARG 31 40.702 5.903 5.581 240 HA ARG 31 HA ARG 31 37.803 5.584 6.180 241 HB2 ARG 31 HB2 ARG 31 38.059 7.472 4.541 242 HB3 ARG 31 HB1 ARG 31 38.878 6.363 3.450 243 HG2 ARG 31 HG2 ARG 31 36.478 6.608 2.878 244 HG3 ARG 31 HG1 ARG 31 36.885 4.955 3.317 245 HD2 ARG 31 HD2 ARG 31 34.731 6.134 4.334 246 HD3 ARG 31 HD1 ARG 31 35.706 5.042 5.318 247 HE ARG 31 HE ARG 31 36.853 7.509 5.788 248 HH11 ARG 31 HH21 ARG 31 33.666 6.204 5.855 249 HH12 ARG 31 HH22 ARG 31 33.121 7.251 7.122 250 HH21 ARG 31 HH11 ARG 31 36.163 8.885 7.441 251 HH22 ARG 31 HH12 ARG 31 34.534 8.769 8.020 252 H ARG 32 HN ARG 32 37.098 3.572 5.784 253 HA ARG 32 HA ARG 32 39.078 1.547 4.963 254 HB2 ARG 32 HB2 ARG 32 36.296 1.491 6.136 255 HB3 ARG 32 HB1 ARG 32 37.067 0.016 5.557 256 HG2 ARG 32 HG2 ARG 32 39.001 0.467 7.054 257 HG3 ARG 32 HG1 ARG 32 38.168 1.896 7.668 258 HD2 ARG 32 HD2 ARG 32 37.202 -0.972 7.869 259 HD3 ARG 32 HD1 ARG 32 37.788 0.033 9.196 260 HE ARG 32 HE ARG 32 35.690 1.498 8.136 261 HH11 ARG 32 HH21 ARG 32 36.168 -1.722 9.274 262 HH12 ARG 32 HH22 ARG 32 34.537 -1.908 9.830 263 HH21 ARG 32 HH11 ARG 32 33.560 1.273 8.855 264 HH22 ARG 32 HH12 ARG 32 33.062 -0.212 9.593 265 H VAL 33 HN VAL 33 38.970 0.286 3.140 266 HA VAL 33 HA VAL 33 36.602 0.447 1.348 267 HB VAL 33 HB VAL 33 39.425 1.142 0.453 268 HG11 VAL 33 HG11 VAL 33 38.272 1.351 -1.811 269 HG12 VAL 33 HG12 VAL 33 36.904 0.495 -1.103 270 HG13 VAL 33 HG13 VAL 33 38.472 -0.301 -1.225 271 HG21 VAL 33 HG21 VAL 33 38.328 3.100 1.289 272 HG22 VAL 33 HG22 VAL 33 36.793 2.642 0.554 273 HG23 VAL 33 HG23 VAL 33 38.136 3.168 -0.460 274 H GLU 34 HN GLU 34 36.361 -1.408 0.114 275 HA GLU 34 HA GLU 34 38.214 -3.665 0.824 276 HB2 GLU 34 HB2 GLU 34 35.234 -3.462 0.441 277 HB3 GLU 34 HB1 GLU 34 36.026 -5.013 0.169 278 HG2 GLU 34 HG2 GLU 34 36.831 -5.111 2.409 279 HG3 GLU 34 HG1 GLU 34 36.461 -3.411 2.697 280 H PHE 35 HN PHE 35 39.625 -3.824 -0.960 281 HA PHE 35 HA PHE 35 38.436 -3.789 -3.697 282 HB2 PHE 35 HB2 PHE 35 41.249 -3.675 -2.607 283 HB3 PHE 35 HB1 PHE 35 41.001 -4.220 -4.259 284 HD1 PHE 35 HD1 PHE 35 39.056 -2.578 -5.498 285 HD2 PHE 35 HD2 PHE 35 41.914 -1.458 -2.488 286 HE1 PHE 35 HE1 PHE 35 38.936 -0.224 -6.249 287 HE2 PHE 35 HE2 PHE 35 41.790 0.894 -3.239 288 HZ PHE 35 HZ PHE 35 40.299 1.514 -5.123 289 H THR 36 HN THR 36 38.427 -5.683 -4.984 290 HA THR 36 HA THR 36 39.018 -8.229 -3.510 291 HB THR 36 HB THR 36 37.519 -9.311 -5.113 292 HG1 THR 36 HG1 THR 36 36.851 -6.832 -6.218 293 HG21 THR 36 HG21 THR 36 36.640 -7.952 -3.087 294 HG22 THR 36 HG22 THR 36 35.484 -8.432 -4.329 295 HG23 THR 36 HG23 THR 36 36.102 -6.782 -4.292 296 H ALA 37 HN ALA 37 39.947 -10.020 -5.050 297 HA ALA 37 HA ALA 37 42.390 -9.159 -6.185 298 HB1 ALA 37 HB1 ALA 37 42.199 -11.400 -7.518 299 HB2 ALA 37 HB2 ALA 37 40.727 -11.641 -6.579 300 HB3 ALA 37 HB3 ALA 37 42.279 -11.468 -5.760 301 H THR 38 HN THR 38 39.262 -8.713 -7.417 302 HA THR 38 HA THR 38 39.734 -8.915 -10.228 303 HB THR 38 HB THR 38 37.757 -7.441 -10.465 304 HG1 THR 38 HG1 THR 38 36.849 -6.997 -8.196 305 HG21 THR 38 HG21 THR 38 37.683 -9.958 -9.673 306 HG22 THR 38 HG22 THR 38 36.213 -8.985 -9.640 307 HG23 THR 38 HG23 THR 38 37.121 -9.255 -8.154 308 H SER 39 HN SER 39 40.664 -6.502 -7.895 309 HA SER 39 HA SER 39 41.792 -4.831 -10.125 310 HB2 SER 39 HB2 SER 39 41.177 -2.833 -9.008 311 HB3 SER 39 HB1 SER 39 39.742 -3.851 -8.923 312 HG SER 39 HG SER 39 41.630 -3.217 -6.929 313 H VAL 40 HN VAL 40 43.436 -6.715 -9.110 314 HA VAL 40 HA VAL 40 44.890 -5.678 -6.773 315 HB VAL 40 HB VAL 40 44.774 -8.077 -7.010 316 HG11 VAL 40 HG11 VAL 40 46.240 -7.759 -9.664 317 HG12 VAL 40 HG12 VAL 40 44.511 -8.089 -9.529 318 HG13 VAL 40 HG13 VAL 40 45.685 -9.268 -8.945 319 HG21 VAL 40 HG21 VAL 40 47.586 -7.290 -7.822 320 HG22 VAL 40 HG22 VAL 40 47.104 -8.608 -6.758 321 HG23 VAL 40 HG23 VAL 40 46.939 -6.933 -6.222 322 H SER 41 HN SER 41 44.950 -4.997 -10.133 323 HA SER 41 HA SER 41 47.787 -4.439 -10.349 324 HB2 SER 41 HB2 SER 41 47.122 -3.259 -12.443 325 HB3 SER 41 HB1 SER 41 46.508 -4.907 -12.355 326 HG SER 41 HG SER 41 45.138 -2.678 -12.674 327 H ASP 42 HN ASP 42 44.890 -2.400 -9.852 328 HA ASP 42 HA ASP 42 46.200 0.108 -9.806 329 HB2 ASP 42 HB2 ASP 42 44.325 0.826 -8.286 330 HB3 ASP 42 HB1 ASP 42 43.781 0.001 -9.744 331 H LEU 43 HN LEU 43 46.152 -2.488 -7.383 332 HA LEU 43 HA LEU 43 47.149 -0.828 -5.231 333 HB2 LEU 43 HB2 LEU 43 45.963 -3.144 -5.111 334 HB3 LEU 43 HB1 LEU 43 47.552 -3.815 -5.458 335 HG LEU 43 HG LEU 43 48.471 -2.696 -3.444 336 HD11 LEU 43 HD11 LEU 43 45.714 -1.500 -3.388 337 HD12 LEU 43 HD12 LEU 43 47.255 -0.789 -2.916 338 HD13 LEU 43 HD13 LEU 43 46.442 -1.909 -1.835 339 HD21 LEU 43 HD21 LEU 43 47.470 -4.193 -1.862 340 HD22 LEU 43 HD22 LEU 43 47.363 -4.995 -3.429 341 HD23 LEU 43 HD23 LEU 43 45.942 -4.211 -2.742 342 H LYS 44 HN LYS 44 48.583 -2.815 -7.777 343 HA LYS 44 HA LYS 44 51.286 -2.726 -6.809 344 HB2 LYS 44 HB2 LYS 44 49.963 -3.268 -9.445 345 HB3 LYS 44 HB1 LYS 44 51.688 -2.911 -9.474 346 HG2 LYS 44 HG2 LYS 44 52.201 -4.762 -8.067 347 HG3 LYS 44 HG1 LYS 44 50.512 -4.990 -7.623 348 HD2 LYS 44 HD2 LYS 44 49.944 -5.791 -9.798 349 HD3 LYS 44 HD1 LYS 44 51.477 -5.243 -10.477 350 HE2 LYS 44 HE2 LYS 44 52.674 -6.872 -9.050 351 HE3 LYS 44 HE1 LYS 44 51.130 -7.437 -8.418 352 HZ1 LYS 44 HZ1 LYS 44 52.413 -8.070 -10.884 353 HZ2 LYS 44 HZ2 LYS 44 50.831 -7.503 -11.133 354 HZ3 LYS 44 HZ3 LYS 44 51.108 -8.839 -10.121 355 H LYS 45 HN LYS 45 49.527 -0.592 -9.090 356 HA LYS 45 HA LYS 45 51.748 1.145 -9.585 357 HB2 LYS 45 HB2 LYS 45 49.830 1.109 -11.062 358 HB3 LYS 45 HB1 LYS 45 48.758 1.596 -9.755 359 HG2 LYS 45 HG2 LYS 45 51.067 3.429 -10.237 360 HG3 LYS 45 HG1 LYS 45 49.892 3.361 -11.544 361 HD2 LYS 45 HD2 LYS 45 48.932 3.698 -8.704 362 HD3 LYS 45 HD1 LYS 45 49.552 5.090 -9.590 363 HE2 LYS 45 HE2 LYS 45 47.925 4.648 -11.404 364 HE3 LYS 45 HE1 LYS 45 47.290 3.281 -10.490 365 HZ1 LYS 45 HZ1 LYS 45 47.113 5.130 -8.640 366 HZ2 LYS 45 HZ2 LYS 45 45.880 4.886 -9.783 367 HZ3 LYS 45 HZ3 LYS 45 47.002 6.144 -9.995 368 H TYR 46 HN TYR 46 49.134 1.246 -7.183 369 HA TYR 46 HA TYR 46 49.755 3.812 -6.098 370 HB2 TYR 46 HB2 TYR 46 47.658 2.648 -5.609 371 HB3 TYR 46 HB1 TYR 46 48.541 1.362 -4.798 372 HD1 TYR 46 HD1 TYR 46 48.474 5.128 -4.680 373 HD2 TYR 46 HD2 TYR 46 48.436 1.441 -2.468 374 HE1 TYR 46 HE1 TYR 46 48.343 6.400 -2.558 375 HE2 TYR 46 HE2 TYR 46 48.301 2.713 -0.347 376 HH TYR 46 HH TYR 46 48.901 6.046 -0.166 377 H ILE 47 HN ILE 47 50.848 0.545 -5.170 378 HA ILE 47 HA ILE 47 52.477 1.267 -2.970 379 HB ILE 47 HB ILE 47 52.789 -0.915 -5.047 380 HG12 ILE 47 HG12 ILE 47 51.975 -1.183 -2.149 381 HG13 ILE 47 HG11 ILE 47 50.793 -0.846 -3.414 382 HG21 ILE 47 HG21 ILE 47 54.265 -1.966 -3.216 383 HG22 ILE 47 HG22 ILE 47 54.377 -0.339 -2.542 384 HG23 ILE 47 HG23 ILE 47 54.978 -0.665 -4.168 385 HD11 ILE 47 HD11 ILE 47 51.284 -3.340 -2.772 386 HD12 ILE 47 HD12 ILE 47 52.737 -3.125 -3.750 387 HD13 ILE 47 HD13 ILE 47 51.145 -2.905 -4.476 388 H ALA 48 HN ALA 48 53.434 0.844 -6.388 389 HA ALA 48 HA ALA 48 56.110 1.634 -6.147 390 HB1 ALA 48 HB1 ALA 48 54.236 2.180 -8.466 391 HB2 ALA 48 HB2 ALA 48 55.147 0.691 -8.211 392 HB3 ALA 48 HB3 ALA 48 55.998 2.200 -8.543 393 H GLU 49 HN GLU 49 53.231 3.686 -6.575 394 HA GLU 49 HA GLU 49 54.567 6.142 -6.982 395 HB2 GLU 49 HB2 GLU 49 52.031 5.574 -7.088 396 HB3 GLU 49 HB1 GLU 49 52.026 5.938 -5.363 397 HG2 GLU 49 HG2 GLU 49 53.121 8.147 -5.927 398 HG3 GLU 49 HG1 GLU 49 52.819 7.779 -7.625 399 H LEU 50 HN LEU 50 54.057 4.301 -4.023 400 HA LEU 50 HA LEU 50 54.791 6.544 -2.291 401 HB2 LEU 50 HB2 LEU 50 54.756 3.589 -1.605 402 HB3 LEU 50 HB1 LEU 50 54.725 4.942 -0.475 403 HG LEU 50 HG LEU 50 52.586 4.365 -2.545 404 HD11 LEU 50 HD11 LEU 50 51.251 3.504 -0.790 405 HD12 LEU 50 HD12 LEU 50 52.329 4.133 0.453 406 HD13 LEU 50 HD13 LEU 50 52.830 2.763 -0.539 407 HD21 LEU 50 HD21 LEU 50 52.477 6.681 -2.169 408 HD22 LEU 50 HD22 LEU 50 53.003 6.536 -0.491 409 HD23 LEU 50 HD23 LEU 50 51.368 6.064 -0.947 410 H GLU 51 HN GLU 51 56.498 3.838 -3.808 411 HA GLU 51 HA GLU 51 58.923 4.072 -2.307 412 HB2 GLU 51 HB2 GLU 51 58.290 3.064 -5.084 413 HB3 GLU 51 HB1 GLU 51 59.950 3.116 -4.495 414 HG2 GLU 51 HG2 GLU 51 58.820 0.907 -4.104 415 HG3 GLU 51 HG1 GLU 51 59.394 1.676 -2.624 416 H VAL 52 HN VAL 52 57.582 5.932 -4.956 417 HA VAL 52 HA VAL 52 60.095 7.345 -5.490 418 HB VAL 52 HB VAL 52 57.284 8.076 -6.369 419 HG11 VAL 52 HG11 VAL 52 58.793 9.913 -6.715 420 HG12 VAL 52 HG12 VAL 52 58.621 9.113 -8.277 421 HG13 VAL 52 HG13 VAL 52 60.064 8.838 -7.301 422 HG21 VAL 52 HG21 VAL 52 58.016 6.911 -8.513 423 HG22 VAL 52 HG22 VAL 52 57.701 5.837 -7.149 424 HG23 VAL 52 HG23 VAL 52 59.361 6.237 -7.591 425 H GLN 53 HN GLN 53 57.225 7.798 -3.500 426 HA GLN 53 HA GLN 53 57.828 10.591 -2.909 427 HB2 GLN 53 HB2 GLN 53 55.521 9.904 -2.793 428 HB3 GLN 53 HB1 GLN 53 55.913 8.575 -1.704 429 HG2 GLN 53 HG2 GLN 53 56.425 10.052 0.083 430 HG3 GLN 53 HG1 GLN 53 56.470 11.453 -0.987 431 HE21 GLN 53 HE21 GLN 53 54.522 12.593 -1.277 432 HE22 GLN 53 HE22 GLN 53 53.010 12.057 -0.724 433 H THR 54 HN THR 54 58.373 7.438 -1.376 434 HA THR 54 HA THR 54 59.745 8.751 0.916 435 HB THR 54 HB THR 54 60.005 6.233 1.595 436 HG1 THR 54 HG1 THR 54 58.623 6.133 -0.756 437 HG21 THR 54 HG21 THR 54 58.430 7.858 2.641 438 HG22 THR 54 HG22 THR 54 57.768 6.226 2.567 439 HG23 THR 54 HG23 THR 54 57.232 7.447 1.413 440 H GLY 55 HN GLY 55 60.716 8.475 -2.022 441 HA2 GLY 55 HA2 GLY 55 63.486 8.243 -1.447 442 HA3 GLY 55 HA1 GLY 55 62.926 6.711 -2.112 443 H MET 56 HN MET 56 63.714 10.002 -2.839 444 HA MET 56 HA MET 56 62.625 9.847 -5.584 445 HB2 MET 56 HB2 MET 56 64.080 11.972 -4.001 446 HB3 MET 56 HB1 MET 56 63.820 12.137 -5.738 447 HG2 MET 56 HG2 MET 56 61.458 12.136 -5.496 448 HG3 MET 56 HG1 MET 56 61.546 11.526 -3.844 449 HE1 MET 56 HE1 MET 56 60.212 13.264 -2.543 450 HE2 MET 56 HE2 MET 56 59.683 13.639 -4.181 451 HE3 MET 56 HE3 MET 56 60.105 14.947 -3.077 452 H THR 57 HN THR 57 64.046 7.911 -6.039 453 HA THR 57 HA THR 57 65.980 6.962 -6.980 454 HB THR 57 HB THR 57 66.528 9.804 -7.878 455 HG1 THR 57 HG1 THR 57 64.444 8.193 -8.382 456 HG21 THR 57 HG21 THR 57 67.212 7.080 -9.019 457 HG22 THR 57 HG22 THR 57 68.343 8.244 -8.329 458 HG23 THR 57 HG23 THR 57 67.510 8.612 -9.840 459 H GLN 58 HN GLN 58 66.745 6.753 -4.671 460 HA GLN 58 HA GLN 58 68.475 6.901 -3.097 461 HB2 GLN 58 HB2 GLN 58 69.794 6.674 -5.320 462 HB3 GLN 58 HB1 GLN 58 70.076 8.408 -5.173 463 HG2 GLN 58 HG2 GLN 58 71.097 8.080 -2.967 464 HG3 GLN 58 HG1 GLN 58 70.772 6.349 -3.058 465 HE21 GLN 58 HE21 GLN 58 71.438 6.124 -5.931 466 HE22 GLN 58 HE22 GLN 58 73.123 6.295 -6.048 467 H ARG 59 HN ARG 59 68.833 8.263 -1.444 468 HA ARG 59 HA ARG 59 67.914 11.059 -1.746 469 HB2 ARG 59 HB2 ARG 59 67.685 11.047 0.618 470 HB3 ARG 59 HB1 ARG 59 67.185 9.436 0.097 471 HG2 ARG 59 HG2 ARG 59 69.597 8.700 0.527 472 HG3 ARG 59 HG1 ARG 59 69.812 10.240 1.360 473 HD2 ARG 59 HD2 ARG 59 67.906 9.683 2.848 474 HD3 ARG 59 HD1 ARG 59 67.751 8.121 2.041 475 HE ARG 59 HE ARG 59 70.393 8.175 2.870 476 HH11 ARG 59 HH21 ARG 59 67.304 8.656 4.324 477 HH12 ARG 59 HH22 ARG 59 67.795 8.064 5.876 478 HH21 ARG 59 HH11 ARG 59 71.052 7.398 4.889 479 HH22 ARG 59 HH12 ARG 59 69.916 7.351 6.196 480 H ARG 60 HN ARG 60 69.329 12.741 -1.863 481 HA ARG 60 HA ARG 60 71.889 12.724 -0.507 482 HB2 ARG 60 HB2 ARG 60 72.287 11.246 -2.537 483 HB3 ARG 60 HB1 ARG 60 72.003 12.670 -3.535 484 HG2 ARG 60 HG2 ARG 60 73.823 13.844 -2.238 485 HG3 ARG 60 HG1 ARG 60 74.168 12.308 -1.444 486 HD2 ARG 60 HD2 ARG 60 74.646 11.265 -3.609 487 HD3 ARG 60 HD1 ARG 60 74.237 12.765 -4.441 488 HE ARG 60 HE ARG 60 76.231 13.517 -2.673 489 HH11 ARG 60 HH21 ARG 60 75.815 11.094 -5.090 490 HH12 ARG 60 HH22 ARG 60 77.493 11.044 -5.517 491 HH21 ARG 60 HH11 ARG 60 78.424 13.466 -3.217 492 HH22 ARG 60 HH12 ARG 60 78.970 12.387 -4.456 493 H ARG 61 HN ARG 61 72.232 14.398 -3.411 494 HA ARG 61 HA ARG 61 72.180 16.696 -3.875 495 HB2 ARG 61 HB2 ARG 61 69.720 16.098 -3.938 496 HB3 ARG 61 HB1 ARG 61 69.615 16.643 -2.263 497 HG2 ARG 61 HG2 ARG 61 70.432 18.871 -2.926 498 HG3 ARG 61 HG1 ARG 61 70.550 18.332 -4.601 499 HD2 ARG 61 HD2 ARG 61 68.456 19.516 -4.354 500 HD3 ARG 61 HD1 ARG 61 68.089 17.800 -4.525 501 HE ARG 61 HE ARG 61 68.262 18.167 -1.785 502 HH11 ARG 61 HH21 ARG 61 66.564 19.634 -4.402 503 HH12 ARG 61 HH22 ARG 61 65.190 20.067 -3.444 504 HH21 ARG 61 HH11 ARG 61 66.475 18.724 -0.516 505 HH22 ARG 61 HH12 ARG 61 65.138 19.551 -1.243 506 H GLY 62 HN GLY 62 74.044 16.770 -2.268 507 HA2 GLY 62 HA2 GLY 62 75.126 17.937 -0.544 508 HA3 GLY 62 HA1 GLY 62 73.701 18.977 -0.475 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 56.861 8.091 10.649 2 H2 MET 1 HT2 MET 1 57.675 9.540 10.293 3 H3 MET 1 HT3 MET 1 58.022 8.127 9.414 4 HA MET 1 HA MET 1 55.770 9.969 9.175 5 HB2 MET 1 HB2 MET 1 57.310 8.194 7.254 6 HB3 MET 1 HB1 MET 1 56.054 9.341 6.786 7 HG2 MET 1 HG2 MET 1 57.389 11.182 7.781 8 HG3 MET 1 HG1 MET 1 58.658 10.025 8.181 9 HE1 MET 1 HE1 MET 1 60.509 9.476 6.809 10 HE2 MET 1 HE2 MET 1 60.437 9.159 5.078 11 HE3 MET 1 HE3 MET 1 59.427 8.226 6.179 12 H VAL 2 HN VAL 2 53.673 9.282 8.883 13 HA VAL 2 HA VAL 2 52.935 6.629 9.712 14 HB VAL 2 HB VAL 2 51.250 8.627 8.173 15 HG11 VAL 2 HG11 VAL 2 50.251 6.407 8.299 16 HG12 VAL 2 HG12 VAL 2 49.399 7.485 9.406 17 HG13 VAL 2 HG13 VAL 2 50.574 6.327 10.032 18 HG21 VAL 2 HG21 VAL 2 51.722 8.324 11.157 19 HG22 VAL 2 HG22 VAL 2 50.520 9.388 10.426 20 HG23 VAL 2 HG23 VAL 2 52.236 9.684 10.159 21 H ARG 3 HN ARG 3 53.723 8.032 6.625 22 HA ARG 3 HA ARG 3 52.391 6.188 4.908 23 HB2 ARG 3 HB2 ARG 3 55.043 7.611 4.517 24 HB3 ARG 3 HB1 ARG 3 54.120 6.817 3.240 25 HG2 ARG 3 HG2 ARG 3 52.202 8.318 3.720 26 HG3 ARG 3 HG1 ARG 3 53.172 9.144 4.938 27 HD2 ARG 3 HD2 ARG 3 54.836 9.224 2.715 28 HD3 ARG 3 HD1 ARG 3 53.242 9.416 1.993 29 HE ARG 3 HE ARG 3 54.651 11.464 3.292 30 HH11 ARG 3 HH21 ARG 3 51.578 9.913 3.602 31 HH12 ARG 3 HH22 ARG 3 50.842 11.257 4.401 32 HH21 ARG 3 HH11 ARG 3 53.694 13.217 4.315 33 HH22 ARG 3 HH12 ARG 3 52.033 13.126 4.799 34 H GLN 4 HN GLN 4 55.427 5.961 6.696 35 HA GLN 4 HA GLN 4 56.469 3.634 5.415 36 HB2 GLN 4 HB2 GLN 4 57.635 5.165 7.109 37 HB3 GLN 4 HB1 GLN 4 56.780 4.258 8.356 38 HG2 GLN 4 HG2 GLN 4 57.748 2.147 7.364 39 HG3 GLN 4 HG1 GLN 4 58.741 3.167 6.321 40 HE21 GLN 4 HE21 GLN 4 58.791 5.191 8.709 41 HE22 GLN 4 HE22 GLN 4 60.003 4.563 9.718 42 H GLU 5 HN GLU 5 54.472 3.938 8.368 43 HA GLU 5 HA GLU 5 54.162 1.097 8.715 44 HB2 GLU 5 HB2 GLU 5 53.808 2.709 10.553 45 HB3 GLU 5 HB1 GLU 5 52.410 3.368 9.703 46 HG2 GLU 5 HG2 GLU 5 51.226 1.271 9.876 47 HG3 GLU 5 HG1 GLU 5 52.657 0.459 10.512 48 H GLU 6 HN GLU 6 52.128 3.594 7.180 49 HA GLU 6 HA GLU 6 49.937 1.887 6.572 50 HB2 GLU 6 HB2 GLU 6 50.286 4.525 6.281 51 HB3 GLU 6 HB1 GLU 6 50.685 4.066 4.628 52 HG2 GLU 6 HG2 GLU 6 48.134 3.290 6.080 53 HG3 GLU 6 HG1 GLU 6 48.273 4.589 4.896 54 H LEU 7 HN LEU 7 53.137 1.998 5.244 55 HA LEU 7 HA LEU 7 52.417 0.777 2.692 56 HB2 LEU 7 HB2 LEU 7 54.577 2.157 3.401 57 HB3 LEU 7 HB1 LEU 7 55.181 0.575 3.878 58 HG LEU 7 HG LEU 7 54.089 1.249 1.126 59 HD11 LEU 7 HD11 LEU 7 56.377 1.275 0.373 60 HD12 LEU 7 HD12 LEU 7 56.960 0.755 1.956 61 HD13 LEU 7 HD13 LEU 7 56.270 2.365 1.756 62 HD21 LEU 7 HD21 LEU 7 55.361 -0.977 0.649 63 HD22 LEU 7 HD22 LEU 7 53.787 -1.074 1.431 64 HD23 LEU 7 HD23 LEU 7 55.257 -1.235 2.390 65 H ALA 8 HN ALA 8 53.952 -0.381 5.706 66 HA ALA 8 HA ALA 8 54.174 -3.106 4.973 67 HB1 ALA 8 HB1 ALA 8 53.602 -1.937 7.716 68 HB2 ALA 8 HB2 ALA 8 55.201 -2.198 7.019 69 HB3 ALA 8 HB3 ALA 8 54.172 -3.577 7.406 70 H ALA 9 HN ALA 9 51.389 -1.221 5.870 71 HA ALA 9 HA ALA 9 49.682 -3.489 6.505 72 HB1 ALA 9 HB1 ALA 9 47.846 -1.734 6.254 73 HB2 ALA 9 HB2 ALA 9 49.130 -0.573 5.917 74 HB3 ALA 9 HB3 ALA 9 49.068 -1.391 7.478 75 H ALA 10 HN ALA 10 49.784 -1.207 3.725 76 HA ALA 10 HA ALA 10 47.911 -2.645 2.141 77 HB1 ALA 10 HB1 ALA 10 49.279 -1.535 0.190 78 HB2 ALA 10 HB2 ALA 10 50.130 -0.718 1.501 79 HB3 ALA 10 HB3 ALA 10 48.391 -0.504 1.314 80 H ARG 11 HN ARG 11 51.311 -3.108 2.769 81 HA ARG 11 HA ARG 11 51.811 -4.991 0.637 82 HB2 ARG 11 HB2 ARG 11 53.433 -3.668 2.300 83 HB3 ARG 11 HB1 ARG 11 53.261 -5.112 3.288 84 HG2 ARG 11 HG2 ARG 11 55.025 -5.871 2.025 85 HG3 ARG 11 HG1 ARG 11 53.765 -6.268 0.860 86 HD2 ARG 11 HD2 ARG 11 54.077 -3.982 -0.140 87 HD3 ARG 11 HD1 ARG 11 55.455 -3.756 0.936 88 HE ARG 11 HE ARG 11 56.013 -6.146 -0.351 89 HH11 ARG 11 HH21 ARG 11 55.162 -2.942 -1.298 90 HH12 ARG 11 HH22 ARG 11 56.047 -3.004 -2.786 91 HH21 ARG 11 HH11 ARG 11 57.174 -6.245 -2.288 92 HH22 ARG 11 HH12 ARG 11 57.186 -4.874 -3.346 93 H ALA 12 HN ALA 12 51.077 -5.375 4.166 94 HA ALA 12 HA ALA 12 51.004 -8.185 4.220 95 HB1 ALA 12 HB1 ALA 12 50.809 -6.798 6.254 96 HB2 ALA 12 HB2 ALA 12 49.482 -7.955 6.156 97 HB3 ALA 12 HB3 ALA 12 49.211 -6.266 5.731 98 H ALA 13 HN ALA 13 48.978 -5.991 2.675 99 HA ALA 13 HA ALA 13 46.643 -7.718 2.483 100 HB1 ALA 13 HB1 ALA 13 47.190 -5.443 0.585 101 HB2 ALA 13 HB2 ALA 13 46.776 -5.109 2.265 102 HB3 ALA 13 HB3 ALA 13 45.649 -5.998 1.242 103 H LEU 14 HN LEU 14 49.444 -6.939 0.394 104 HA LEU 14 HA LEU 14 48.492 -8.377 -1.864 105 HB2 LEU 14 HB2 LEU 14 50.965 -7.107 -1.164 106 HB3 LEU 14 HB1 LEU 14 51.352 -8.700 -1.782 107 HG LEU 14 HG LEU 14 49.494 -6.792 -3.235 108 HD11 LEU 14 HD11 LEU 14 52.451 -7.222 -3.725 109 HD12 LEU 14 HD12 LEU 14 51.773 -5.803 -2.927 110 HD13 LEU 14 HD13 LEU 14 51.376 -6.140 -4.609 111 HD21 LEU 14 HD21 LEU 14 49.693 -8.283 -5.041 112 HD22 LEU 14 HD22 LEU 14 49.596 -9.368 -3.658 113 HD23 LEU 14 HD23 LEU 14 51.159 -9.025 -4.397 114 H HIS 15 HN HIS 15 49.997 -9.466 1.108 115 HA HIS 15 HA HIS 15 50.430 -12.187 0.138 116 HB2 HIS 15 HB2 HIS 15 51.745 -11.172 2.013 117 HB3 HIS 15 HB1 HIS 15 50.278 -11.177 2.995 118 HD1 HIS 15 HD1 HIS 15 50.095 -13.183 4.447 119 HD2 HIS 15 HD2 HIS 15 52.182 -14.033 0.940 120 HE1 HIS 15 HE1 HIS 15 50.773 -15.619 4.589 121 H ASP 16 HN ASP 16 47.893 -10.441 1.835 122 HA ASP 16 HA ASP 16 46.362 -12.812 2.522 123 HB2 ASP 16 HB2 ASP 16 45.345 -9.974 2.303 124 HB3 ASP 16 HB1 ASP 16 44.693 -11.276 3.296 125 H LEU 17 HN LEU 17 46.721 -10.930 -0.357 126 HA LEU 17 HA LEU 17 44.102 -11.810 -1.439 127 HB2 LEU 17 HB2 LEU 17 46.302 -10.084 -2.615 128 HB3 LEU 17 HB1 LEU 17 44.804 -10.473 -3.445 129 HG LEU 17 HG LEU 17 44.767 -9.248 -0.682 130 HD11 LEU 17 HD11 LEU 17 46.060 -7.646 -1.855 131 HD12 LEU 17 HD12 LEU 17 44.410 -7.040 -1.967 132 HD13 LEU 17 HD13 LEU 17 45.142 -7.866 -3.341 133 HD21 LEU 17 HD21 LEU 17 42.619 -10.034 -1.356 134 HD22 LEU 17 HD22 LEU 17 42.828 -9.444 -3.003 135 HD23 LEU 17 HD23 LEU 17 42.590 -8.306 -1.686 136 H MET 18 HN MET 18 47.472 -12.709 -1.599 137 HA MET 18 HA MET 18 47.032 -14.377 -4.007 138 HB2 MET 18 HB2 MET 18 49.332 -13.220 -2.611 139 HB3 MET 18 HB1 MET 18 49.604 -14.928 -2.934 140 HG2 MET 18 HG2 MET 18 50.428 -13.676 -4.828 141 HG3 MET 18 HG1 MET 18 48.954 -14.498 -5.335 142 HE1 MET 18 HE1 MET 18 50.366 -12.293 -6.779 143 HE2 MET 18 HE2 MET 18 49.228 -11.006 -7.171 144 HE3 MET 18 HE3 MET 18 48.784 -12.685 -7.467 145 H THR 19 HN THR 19 46.586 -14.698 -0.670 146 HA THR 19 HA THR 19 47.291 -17.575 -0.596 147 HB THR 19 HB THR 19 46.268 -17.299 1.793 148 HG1 THR 19 HG1 THR 19 45.576 -15.040 0.812 149 HG21 THR 19 HG21 THR 19 48.743 -15.739 0.992 150 HG22 THR 19 HG22 THR 19 48.686 -17.474 1.303 151 HG23 THR 19 HG23 THR 19 48.374 -16.333 2.611 152 H GLY 20 HN GLY 20 44.661 -15.770 -1.633 153 HA2 GLY 20 HA2 GLY 20 42.865 -17.288 -2.630 154 HA3 GLY 20 HA1 GLY 20 42.735 -18.002 -1.025 155 H LYS 21 HN LYS 21 42.732 -15.811 0.643 156 HA LYS 21 HA LYS 21 40.083 -14.889 0.545 157 HB2 LYS 21 HB2 LYS 21 42.432 -13.360 1.697 158 HB3 LYS 21 HB1 LYS 21 40.739 -13.201 2.164 159 HG2 LYS 21 HG2 LYS 21 40.785 -15.662 2.780 160 HG3 LYS 21 HG1 LYS 21 42.530 -15.618 2.541 161 HD2 LYS 21 HD2 LYS 21 41.180 -13.644 4.388 162 HD3 LYS 21 HD1 LYS 21 41.606 -15.258 4.949 163 HE2 LYS 21 HE2 LYS 21 43.955 -14.864 4.248 164 HE3 LYS 21 HE1 LYS 21 43.517 -13.228 3.762 165 HZ1 LYS 21 HZ1 LYS 21 44.335 -13.993 6.242 166 HZ2 LYS 21 HZ2 LYS 21 42.651 -13.856 6.414 167 HZ3 LYS 21 HZ3 LYS 21 43.561 -12.533 5.857 168 H ARG 22 HN ARG 22 39.240 -13.884 -1.214 169 HA ARG 22 HA ARG 22 40.841 -12.170 -2.911 170 HB2 ARG 22 HB2 ARG 22 39.010 -13.681 -3.723 171 HB3 ARG 22 HB1 ARG 22 37.848 -12.609 -2.941 172 HG2 ARG 22 HG2 ARG 22 38.757 -10.720 -4.294 173 HG3 ARG 22 HG1 ARG 22 39.787 -11.868 -5.144 174 HD2 ARG 22 HD2 ARG 22 37.744 -11.463 -6.439 175 HD3 ARG 22 HD1 ARG 22 37.767 -13.127 -5.853 176 HE ARG 22 HE ARG 22 36.383 -11.757 -3.884 177 HH11 ARG 22 HH21 ARG 22 36.183 -12.083 -7.311 178 HH12 ARG 22 HH22 ARG 22 34.464 -11.884 -7.362 179 HH21 ARG 22 HH11 ARG 22 34.138 -11.495 -3.933 180 HH22 ARG 22 HH12 ARG 22 33.306 -11.550 -5.451 181 H VAL 23 HN VAL 23 38.105 -11.644 -0.668 182 HA VAL 23 HA VAL 23 38.201 -8.733 -1.121 183 HB VAL 23 HB VAL 23 36.759 -10.246 1.078 184 HG11 VAL 23 HG11 VAL 23 36.918 -7.791 1.348 185 HG12 VAL 23 HG12 VAL 23 35.260 -8.286 1.008 186 HG13 VAL 23 HG13 VAL 23 36.246 -7.574 -0.269 187 HG21 VAL 23 HG21 VAL 23 35.998 -9.685 -1.800 188 HG22 VAL 23 HG22 VAL 23 34.800 -10.054 -0.560 189 HG23 VAL 23 HG23 VAL 23 36.033 -11.244 -0.978 190 H ALA 24 HN ALA 24 39.305 -7.262 0.073 191 HA ALA 24 HA ALA 24 40.438 -8.056 2.719 192 HB1 ALA 24 HB1 ALA 24 42.222 -8.479 1.067 193 HB2 ALA 24 HB2 ALA 24 42.638 -7.115 2.104 194 HB3 ALA 24 HB3 ALA 24 42.057 -6.830 0.464 195 H THR 25 HN THR 25 40.890 -6.228 4.075 196 HA THR 25 HA THR 25 39.453 -3.727 3.220 197 HB THR 25 HB THR 25 40.183 -4.795 5.969 198 HG1 THR 25 HG1 THR 25 37.599 -4.250 5.060 199 HG21 THR 25 HG21 THR 25 38.940 -2.206 5.052 200 HG22 THR 25 HG22 THR 25 40.284 -2.441 6.169 201 HG23 THR 25 HG23 THR 25 38.643 -2.853 6.665 202 H VAL 26 HN VAL 26 40.469 -1.668 3.630 203 HA VAL 26 HA VAL 26 43.311 -1.687 4.458 204 HB VAL 26 HB VAL 26 43.111 -1.996 1.899 205 HG11 VAL 26 HG11 VAL 26 42.511 0.968 1.974 206 HG12 VAL 26 HG12 VAL 26 41.244 -0.242 1.764 207 HG13 VAL 26 HG13 VAL 26 42.537 -0.101 0.576 208 HG21 VAL 26 HG21 VAL 26 45.188 -1.295 2.977 209 HG22 VAL 26 HG22 VAL 26 44.607 0.367 3.074 210 HG23 VAL 26 HG23 VAL 26 44.952 -0.356 1.504 211 H GLN 27 HN GLN 27 43.697 0.032 5.724 212 HA GLN 27 HA GLN 27 41.630 2.112 6.018 213 HB2 GLN 27 HB2 GLN 27 44.310 1.866 7.421 214 HB3 GLN 27 HB1 GLN 27 42.947 2.871 7.915 215 HG2 GLN 27 HG2 GLN 27 41.571 0.847 8.241 216 HG3 GLN 27 HG1 GLN 27 42.938 -0.158 7.761 217 HE21 GLN 27 HE21 GLN 27 44.107 -0.946 9.509 218 HE22 GLN 27 HE22 GLN 27 44.251 -0.179 11.016 219 H LYS 28 HN LYS 28 41.726 3.444 4.226 220 HA LYS 28 HA LYS 28 44.377 4.613 3.459 221 HB2 LYS 28 HB2 LYS 28 42.905 3.475 1.708 222 HB3 LYS 28 HB1 LYS 28 41.788 4.830 1.904 223 HG2 LYS 28 HG2 LYS 28 43.544 6.411 1.289 224 HG3 LYS 28 HG1 LYS 28 44.722 5.101 1.184 225 HD2 LYS 28 HD2 LYS 28 43.515 4.090 -0.664 226 HD3 LYS 28 HD1 LYS 28 42.209 5.265 -0.504 227 HE2 LYS 28 HE2 LYS 28 43.667 5.953 -2.331 228 HE3 LYS 28 HE1 LYS 28 43.851 7.087 -0.993 229 HZ1 LYS 28 HZ1 LYS 28 45.634 4.858 -0.800 230 HZ2 LYS 28 HZ2 LYS 28 45.970 6.522 -0.733 231 HZ3 LYS 28 HZ3 LYS 28 45.862 5.733 -2.234 232 H ASP 29 HN ASP 29 44.706 6.671 4.448 233 HA ASP 29 HA ASP 29 44.163 8.825 5.296 234 HB2 ASP 29 HB2 ASP 29 41.761 8.735 3.460 235 HB3 ASP 29 HB1 ASP 29 42.729 10.129 3.939 236 H GLY 30 HN GLY 30 42.957 6.366 6.515 237 HA2 GLY 30 HA2 GLY 30 41.651 6.177 8.495 238 HA3 GLY 30 HA1 GLY 30 40.978 7.776 8.179 239 H ARG 31 HN ARG 31 40.399 6.857 5.312 240 HA ARG 31 HA ARG 31 37.749 5.736 5.946 241 HB2 ARG 31 HB2 ARG 31 38.765 7.450 3.937 242 HB3 ARG 31 HB1 ARG 31 38.328 5.979 3.076 243 HG2 ARG 31 HG2 ARG 31 36.535 7.700 4.820 244 HG3 ARG 31 HG1 ARG 31 36.391 7.415 3.090 245 HD2 ARG 31 HD2 ARG 31 36.285 4.835 4.047 246 HD3 ARG 31 HD1 ARG 31 35.493 5.718 5.350 247 HE ARG 31 HE ARG 31 34.300 6.713 3.056 248 HH11 ARG 31 HH21 ARG 31 34.897 3.609 4.431 249 HH12 ARG 31 HH22 ARG 31 33.476 2.887 3.755 250 HH21 ARG 31 HH11 ARG 31 32.439 5.790 2.164 251 HH22 ARG 31 HH12 ARG 31 32.083 4.122 2.470 252 H ARG 32 HN ARG 32 37.083 3.710 5.459 253 HA ARG 32 HA ARG 32 39.190 1.734 4.765 254 HB2 ARG 32 HB2 ARG 32 38.136 0.542 6.396 255 HB3 ARG 32 HB1 ARG 32 36.939 1.819 6.553 256 HG2 ARG 32 HG2 ARG 32 35.573 0.781 4.785 257 HG3 ARG 32 HG1 ARG 32 36.780 -0.488 4.581 258 HD2 ARG 32 HD2 ARG 32 36.462 -1.117 6.978 259 HD3 ARG 32 HD1 ARG 32 35.164 0.073 7.082 260 HE ARG 32 HE ARG 32 34.431 -1.510 4.931 261 HH11 ARG 32 HH21 ARG 32 35.355 -2.025 8.212 262 HH12 ARG 32 HH22 ARG 32 34.380 -3.444 8.404 263 HH21 ARG 32 HH11 ARG 32 33.152 -3.360 5.162 264 HH22 ARG 32 HH12 ARG 32 33.134 -4.200 6.677 265 H VAL 33 HN VAL 33 39.013 0.323 3.015 266 HA VAL 33 HA VAL 33 36.651 0.529 1.216 267 HB VAL 33 HB VAL 33 39.497 1.048 0.274 268 HG11 VAL 33 HG11 VAL 33 38.316 1.329 -1.957 269 HG12 VAL 33 HG12 VAL 33 36.886 0.618 -1.210 270 HG13 VAL 33 HG13 VAL 33 38.365 -0.329 -1.359 271 HG21 VAL 33 HG21 VAL 33 38.604 3.099 1.121 272 HG22 VAL 33 HG22 VAL 33 36.999 2.750 0.483 273 HG23 VAL 33 HG23 VAL 33 38.313 3.165 -0.616 274 H GLU 34 HN GLU 34 36.334 -1.333 0.020 275 HA GLU 34 HA GLU 34 38.057 -3.663 0.803 276 HB2 GLU 34 HB2 GLU 34 35.116 -3.339 0.213 277 HB3 GLU 34 HB1 GLU 34 35.868 -4.925 0.044 278 HG2 GLU 34 HG2 GLU 34 36.623 -4.857 2.364 279 HG3 GLU 34 HG1 GLU 34 36.002 -3.217 2.548 280 H PHE 35 HN PHE 35 39.561 -3.881 -0.897 281 HA PHE 35 HA PHE 35 38.542 -3.753 -3.696 282 HB2 PHE 35 HB2 PHE 35 41.254 -3.668 -2.404 283 HB3 PHE 35 HB1 PHE 35 41.163 -4.305 -4.040 284 HD1 PHE 35 HD2 PHE 35 39.374 -2.745 -5.557 285 HD2 PHE 35 HD1 PHE 35 41.900 -1.441 -2.335 286 HE1 PHE 35 HE2 PHE 35 39.326 -0.435 -6.447 287 HE2 PHE 35 HE1 PHE 35 41.860 0.864 -3.230 288 HZ PHE 35 HZ PHE 35 40.570 1.370 -5.289 289 H THR 36 HN THR 36 38.599 -5.578 -5.057 290 HA THR 36 HA THR 36 39.019 -8.214 -3.680 291 HB THR 36 HB THR 36 37.495 -9.134 -5.389 292 HG1 THR 36 HG1 THR 36 38.124 -6.837 -6.607 293 HG21 THR 36 HG21 THR 36 35.480 -8.180 -4.583 294 HG22 THR 36 HG22 THR 36 36.237 -6.610 -4.318 295 HG23 THR 36 HG23 THR 36 36.642 -7.972 -3.273 296 H ALA 37 HN ALA 37 40.100 -9.926 -5.154 297 HA ALA 37 HA ALA 37 42.495 -8.956 -6.292 298 HB1 ALA 37 HB1 ALA 37 42.158 -11.335 -5.725 299 HB2 ALA 37 HB2 ALA 37 42.730 -11.149 -7.378 300 HB3 ALA 37 HB3 ALA 37 41.029 -11.494 -7.072 301 H THR 38 HN THR 38 39.370 -8.667 -7.577 302 HA THR 38 HA THR 38 39.834 -8.900 -10.368 303 HB THR 38 HB THR 38 37.893 -7.375 -10.631 304 HG1 THR 38 HG1 THR 38 37.012 -6.906 -8.338 305 HG21 THR 38 HG21 THR 38 36.317 -8.876 -9.795 306 HG22 THR 38 HG22 THR 38 37.206 -9.137 -8.296 307 HG23 THR 38 HG23 THR 38 37.765 -9.882 -9.796 308 H SER 39 HN SER 39 40.719 -6.387 -8.101 309 HA SER 39 HA SER 39 41.962 -4.840 -10.362 310 HB2 SER 39 HB2 SER 39 41.310 -2.785 -9.376 311 HB3 SER 39 HB1 SER 39 39.867 -3.789 -9.294 312 HG SER 39 HG SER 39 41.265 -4.311 -7.137 313 H VAL 40 HN VAL 40 43.532 -6.684 -9.198 314 HA VAL 40 HA VAL 40 44.879 -5.606 -6.827 315 HB VAL 40 HB VAL 40 44.785 -8.009 -7.047 316 HG11 VAL 40 HG11 VAL 40 46.377 -7.708 -9.629 317 HG12 VAL 40 HG12 VAL 40 44.645 -8.042 -9.575 318 HG13 VAL 40 HG13 VAL 40 45.792 -9.213 -8.926 319 HG21 VAL 40 HG21 VAL 40 47.094 -8.527 -6.660 320 HG22 VAL 40 HG22 VAL 40 46.910 -6.840 -6.172 321 HG23 VAL 40 HG23 VAL 40 47.635 -7.233 -7.729 322 H SER 41 HN SER 41 45.093 -4.945 -10.178 323 HA SER 41 HA SER 41 47.937 -4.397 -10.282 324 HB2 SER 41 HB2 SER 41 47.338 -3.165 -12.382 325 HB3 SER 41 HB1 SER 41 46.764 -4.829 -12.346 326 HG SER 41 HG SER 41 45.047 -2.965 -11.255 327 H ASP 42 HN ASP 42 45.033 -2.378 -9.792 328 HA ASP 42 HA ASP 42 46.326 0.143 -9.707 329 HB2 ASP 42 HB2 ASP 42 44.425 0.904 -8.374 330 HB3 ASP 42 HB1 ASP 42 43.849 -0.191 -9.630 331 H LEU 43 HN LEU 43 46.124 -2.439 -7.243 332 HA LEU 43 HA LEU 43 47.164 -0.838 -5.092 333 HB2 LEU 43 HB2 LEU 43 45.984 -3.164 -5.024 334 HB3 LEU 43 HB1 LEU 43 47.583 -3.819 -5.352 335 HG LEU 43 HG LEU 43 48.459 -2.707 -3.309 336 HD11 LEU 43 HD11 LEU 43 47.209 -0.825 -2.776 337 HD12 LEU 43 HD12 LEU 43 46.389 -1.971 -1.726 338 HD13 LEU 43 HD13 LEU 43 45.687 -1.549 -3.287 339 HD21 LEU 43 HD21 LEU 43 47.461 -4.238 -1.762 340 HD22 LEU 43 HD22 LEU 43 47.382 -5.022 -3.340 341 HD23 LEU 43 HD23 LEU 43 45.943 -4.265 -2.660 342 H LYS 44 HN LYS 44 48.627 -2.773 -7.662 343 HA LYS 44 HA LYS 44 51.323 -2.671 -6.657 344 HB2 LYS 44 HB2 LYS 44 50.031 -3.250 -9.297 345 HB3 LYS 44 HB1 LYS 44 51.747 -2.855 -9.322 346 HG2 LYS 44 HG2 LYS 44 52.280 -4.681 -7.865 347 HG3 LYS 44 HG1 LYS 44 50.579 -4.971 -7.500 348 HD2 LYS 44 HD2 LYS 44 50.148 -5.670 -9.783 349 HD3 LYS 44 HD1 LYS 44 51.781 -5.217 -10.272 350 HE2 LYS 44 HE2 LYS 44 52.751 -6.951 -8.924 351 HE3 LYS 44 HE1 LYS 44 51.205 -7.289 -8.147 352 HZ1 LYS 44 HZ1 LYS 44 50.922 -8.809 -9.724 353 HZ2 LYS 44 HZ2 LYS 44 52.225 -8.227 -10.646 354 HZ3 LYS 44 HZ3 LYS 44 50.685 -7.529 -10.812 355 H LYS 45 HN LYS 45 49.529 -0.549 -8.911 356 HA LYS 45 HA LYS 45 51.739 1.210 -9.416 357 HB2 LYS 45 HB2 LYS 45 49.792 1.122 -10.878 358 HB3 LYS 45 HB1 LYS 45 48.749 1.667 -9.570 359 HG2 LYS 45 HG2 LYS 45 51.082 3.443 -10.138 360 HG3 LYS 45 HG1 LYS 45 49.887 3.356 -11.428 361 HD2 LYS 45 HD2 LYS 45 48.980 3.798 -8.585 362 HD3 LYS 45 HD1 LYS 45 49.601 5.150 -9.530 363 HE2 LYS 45 HE2 LYS 45 47.427 3.326 -10.574 364 HE3 LYS 45 HE1 LYS 45 47.069 4.768 -9.625 365 HZ1 LYS 45 HZ1 LYS 45 48.720 4.780 -12.089 366 HZ2 LYS 45 HZ2 LYS 45 48.142 6.128 -11.232 367 HZ3 LYS 45 HZ3 LYS 45 47.058 5.121 -12.066 368 H TYR 46 HN TYR 46 49.117 1.272 -7.024 369 HA TYR 46 HA TYR 46 49.655 3.836 -5.920 370 HB2 TYR 46 HB2 TYR 46 47.635 2.541 -5.390 371 HB3 TYR 46 HB1 TYR 46 48.615 1.322 -4.587 372 HD1 TYR 46 HD2 TYR 46 48.277 5.072 -4.512 373 HD2 TYR 46 HD1 TYR 46 48.601 1.427 -2.255 374 HE1 TYR 46 HE2 TYR 46 48.117 6.361 -2.401 375 HE2 TYR 46 HE1 TYR 46 48.431 2.717 -0.146 376 HH TYR 46 HH TYR 46 48.976 5.188 0.542 377 H ILE 47 HN ILE 47 50.825 0.622 -4.867 378 HA ILE 47 HA ILE 47 52.529 1.472 -2.788 379 HB ILE 47 HB ILE 47 52.957 -0.771 -4.784 380 HG12 ILE 47 HG12 ILE 47 51.914 -1.061 -1.962 381 HG13 ILE 47 HG11 ILE 47 50.813 -0.671 -3.282 382 HG21 ILE 47 HG21 ILE 47 54.312 -1.731 -2.850 383 HG22 ILE 47 HG22 ILE 47 54.256 -0.122 -2.131 384 HG23 ILE 47 HG23 ILE 47 55.042 -0.364 -3.691 385 HD11 ILE 47 HD11 ILE 47 52.725 -2.954 -3.665 386 HD12 ILE 47 HD12 ILE 47 51.109 -2.719 -4.326 387 HD13 ILE 47 HD13 ILE 47 51.309 -3.200 -2.642 388 H ALA 48 HN ALA 48 53.317 0.982 -6.236 389 HA ALA 48 HA ALA 48 56.002 1.770 -6.180 390 HB1 ALA 48 HB1 ALA 48 54.896 0.843 -8.179 391 HB2 ALA 48 HB2 ALA 48 55.723 2.354 -8.559 392 HB3 ALA 48 HB3 ALA 48 53.971 2.333 -8.358 393 H GLU 49 HN GLU 49 53.108 3.829 -6.459 394 HA GLU 49 HA GLU 49 54.427 6.288 -6.896 395 HB2 GLU 49 HB2 GLU 49 51.894 5.723 -6.923 396 HB3 GLU 49 HB1 GLU 49 51.944 6.048 -5.190 397 HG2 GLU 49 HG2 GLU 49 52.993 8.277 -5.725 398 HG3 GLU 49 HG1 GLU 49 52.680 7.946 -7.428 399 H LEU 50 HN LEU 50 54.069 4.402 -3.955 400 HA LEU 50 HA LEU 50 54.830 6.629 -2.210 401 HB2 LEU 50 HB2 LEU 50 54.883 3.675 -1.543 402 HB3 LEU 50 HB1 LEU 50 54.786 5.028 -0.418 403 HG LEU 50 HG LEU 50 52.674 4.202 -2.431 404 HD11 LEU 50 HD11 LEU 50 52.488 4.372 0.581 405 HD12 LEU 50 HD12 LEU 50 52.959 2.893 -0.258 406 HD13 LEU 50 HD13 LEU 50 51.366 3.593 -0.534 407 HD21 LEU 50 HD21 LEU 50 52.508 6.557 -2.374 408 HD22 LEU 50 HD22 LEU 50 52.972 6.643 -0.675 409 HD23 LEU 50 HD23 LEU 50 51.374 6.052 -1.125 410 H GLU 51 HN GLU 51 56.507 3.974 -3.840 411 HA GLU 51 HA GLU 51 58.975 4.277 -2.373 412 HB2 GLU 51 HB2 GLU 51 58.235 3.029 -5.019 413 HB3 GLU 51 HB1 GLU 51 59.927 3.169 -4.546 414 HG2 GLU 51 HG2 GLU 51 57.823 1.907 -2.770 415 HG3 GLU 51 HG1 GLU 51 58.809 0.980 -3.900 416 H VAL 52 HN VAL 52 57.530 5.956 -5.079 417 HA VAL 52 HA VAL 52 60.020 7.305 -5.831 418 HB VAL 52 HB VAL 52 57.166 7.994 -6.599 419 HG11 VAL 52 HG11 VAL 52 59.892 8.741 -7.682 420 HG12 VAL 52 HG12 VAL 52 58.614 9.824 -7.131 421 HG13 VAL 52 HG13 VAL 52 58.419 8.921 -8.633 422 HG21 VAL 52 HG21 VAL 52 57.826 5.636 -7.161 423 HG22 VAL 52 HG22 VAL 52 59.192 6.279 -8.073 424 HG23 VAL 52 HG23 VAL 52 57.543 6.634 -8.588 425 H GLN 53 HN GLN 53 57.275 7.908 -3.714 426 HA GLN 53 HA GLN 53 57.930 10.732 -3.332 427 HB2 GLN 53 HB2 GLN 53 56.078 8.818 -1.887 428 HB3 GLN 53 HB1 GLN 53 56.271 10.508 -1.419 429 HG2 GLN 53 HG2 GLN 53 55.541 11.247 -3.626 430 HG3 GLN 53 HG1 GLN 53 55.453 9.576 -4.186 431 HE21 GLN 53 HE21 GLN 53 53.278 11.733 -3.764 432 HE22 GLN 53 HE22 GLN 53 52.107 10.946 -2.819 433 H THR 54 HN THR 54 58.616 7.676 -1.698 434 HA THR 54 HA THR 54 60.007 9.081 0.512 435 HB THR 54 HB THR 54 60.513 6.576 1.138 436 HG1 THR 54 HG1 THR 54 58.707 5.303 0.214 437 HG21 THR 54 HG21 THR 54 58.336 6.386 2.226 438 HG22 THR 54 HG22 THR 54 57.655 7.592 1.135 439 HG23 THR 54 HG23 THR 54 58.890 8.059 2.304 440 H GLY 55 HN GLY 55 60.854 8.869 -2.479 441 HA2 GLY 55 HA2 GLY 55 63.443 7.477 -2.260 442 HA3 GLY 55 HA1 GLY 55 62.828 8.310 -3.689 443 H MET 56 HN MET 56 63.060 10.619 -3.811 444 HA MET 56 HA MET 56 65.492 11.705 -3.050 445 HB2 MET 56 HB2 MET 56 64.659 13.820 -3.672 446 HB3 MET 56 HB1 MET 56 63.645 12.701 -4.577 447 HG2 MET 56 HG2 MET 56 62.063 12.854 -2.484 448 HG3 MET 56 HG1 MET 56 62.952 14.337 -2.148 449 HE1 MET 56 HE1 MET 56 61.239 12.328 -5.030 450 HE2 MET 56 HE2 MET 56 59.927 13.441 -5.410 451 HE3 MET 56 HE3 MET 56 60.066 12.777 -3.784 452 H THR 57 HN THR 57 66.342 12.673 -1.226 453 HA THR 57 HA THR 57 64.881 12.271 1.292 454 HB THR 57 HB THR 57 67.035 13.285 2.255 455 HG1 THR 57 HG1 THR 57 68.174 14.233 0.777 456 HG21 THR 57 HG21 THR 57 68.283 11.224 1.908 457 HG22 THR 57 HG22 THR 57 67.322 10.848 0.478 458 HG23 THR 57 HG23 THR 57 66.570 10.839 2.074 459 H GLN 58 HN GLN 58 63.951 13.898 2.517 460 HA GLN 58 HA GLN 58 63.360 16.411 1.228 461 HB2 GLN 58 HB2 GLN 58 61.874 15.280 2.918 462 HB3 GLN 58 HB1 GLN 58 63.045 15.717 4.164 463 HG2 GLN 58 HG2 GLN 58 62.749 18.090 3.663 464 HG3 GLN 58 HG1 GLN 58 61.651 17.697 2.339 465 HE21 GLN 58 HE21 GLN 58 59.458 17.237 2.860 466 HE22 GLN 58 HE22 GLN 58 58.856 17.245 4.447 467 H ARG 59 HN ARG 59 64.475 18.270 1.270 468 HA ARG 59 HA ARG 59 66.371 18.848 3.465 469 HB2 ARG 59 HB2 ARG 59 67.128 18.249 0.614 470 HB3 ARG 59 HB1 ARG 59 68.084 19.420 1.525 471 HG2 ARG 59 HG2 ARG 59 68.382 17.681 3.318 472 HG3 ARG 59 HG1 ARG 59 67.570 16.524 2.264 473 HD2 ARG 59 HD2 ARG 59 69.287 16.698 0.601 474 HD3 ARG 59 HD1 ARG 59 70.013 18.089 1.407 475 HE ARG 59 HE ARG 59 70.133 16.087 3.316 476 HH11 ARG 59 HH21 ARG 59 71.072 16.460 0.020 477 HH12 ARG 59 HH22 ARG 59 72.429 15.391 0.146 478 HH21 ARG 59 HH11 ARG 59 71.900 14.688 3.500 479 HH22 ARG 59 HH12 ARG 59 72.898 14.387 2.116 480 H ARG 60 HN ARG 60 65.736 20.021 0.134 481 HA ARG 60 HA ARG 60 65.970 22.775 0.780 482 HB2 ARG 60 HB2 ARG 60 65.943 21.790 -1.542 483 HB3 ARG 60 HB1 ARG 60 64.203 21.580 -1.373 484 HG2 ARG 60 HG2 ARG 60 64.591 23.665 -2.541 485 HG3 ARG 60 HG1 ARG 60 64.002 24.043 -0.926 486 HD2 ARG 60 HD2 ARG 60 66.973 23.856 -1.280 487 HD3 ARG 60 HD1 ARG 60 66.159 25.266 -1.954 488 HE ARG 60 HE ARG 60 65.144 25.105 0.613 489 HH11 ARG 60 HH21 ARG 60 68.271 25.142 -0.840 490 HH12 ARG 60 HH22 ARG 60 69.029 25.940 0.497 491 HH21 ARG 60 HH11 ARG 60 66.117 26.147 2.368 492 HH22 ARG 60 HH12 ARG 60 67.810 26.509 2.313 493 H ARG 61 HN ARG 61 64.639 24.066 1.961 494 HA ARG 61 HA ARG 61 61.740 23.748 1.865 495 HB2 ARG 61 HB2 ARG 61 62.611 22.021 3.568 496 HB3 ARG 61 HB1 ARG 61 63.058 23.402 4.564 497 HG2 ARG 61 HG2 ARG 61 60.923 23.133 5.394 498 HG3 ARG 61 HG1 ARG 61 60.489 24.103 3.990 499 HD2 ARG 61 HD2 ARG 61 60.537 21.066 4.042 500 HD3 ARG 61 HD1 ARG 61 59.086 22.050 4.227 501 HE ARG 61 HE ARG 61 60.154 22.943 1.844 502 HH11 ARG 61 HH21 ARG 61 59.343 19.887 3.215 503 HH12 ARG 61 HH22 ARG 61 58.953 19.157 1.693 504 HH21 ARG 61 HH11 ARG 61 59.651 22.009 -0.153 505 HH22 ARG 61 HH12 ARG 61 59.128 20.358 -0.213 506 H GLY 62 HN GLY 62 63.507 25.877 1.209 507 HA2 GLY 62 HA2 GLY 62 63.956 27.805 3.204 508 HA3 GLY 62 HA1 GLY 62 63.605 28.203 1.521 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 55.287 8.727 13.111 2 H2 MET 1 HT2 MET 1 55.111 10.361 12.681 3 H3 MET 1 HT3 MET 1 56.636 9.618 12.599 4 HA MET 1 HA MET 1 55.018 9.940 10.496 5 HB2 MET 1 HB2 MET 1 56.381 8.038 9.492 6 HB3 MET 1 HB1 MET 1 57.324 9.312 10.266 7 HG2 MET 1 HG2 MET 1 57.680 7.989 12.226 8 HG3 MET 1 HG1 MET 1 56.473 6.804 11.727 9 HE1 MET 1 HE1 MET 1 60.597 7.618 9.967 10 HE2 MET 1 HE2 MET 1 59.530 8.692 10.870 11 HE3 MET 1 HE3 MET 1 59.232 8.400 9.158 12 H VAL 2 HN VAL 2 53.959 8.246 9.082 13 HA VAL 2 HA VAL 2 52.735 5.979 10.553 14 HB VAL 2 HB VAL 2 51.060 8.076 9.139 15 HG11 VAL 2 HG11 VAL 2 50.361 5.602 10.747 16 HG12 VAL 2 HG12 VAL 2 50.099 5.839 9.019 17 HG13 VAL 2 HG13 VAL 2 49.188 6.794 10.188 18 HG21 VAL 2 HG21 VAL 2 51.853 9.038 11.200 19 HG22 VAL 2 HG22 VAL 2 51.565 7.536 12.079 20 HG23 VAL 2 HG23 VAL 2 50.203 8.490 11.494 21 H ARG 3 HN ARG 3 53.606 7.614 7.615 22 HA ARG 3 HA ARG 3 52.337 5.880 5.730 23 HB2 ARG 3 HB2 ARG 3 54.941 7.424 5.511 24 HB3 ARG 3 HB1 ARG 3 54.093 6.681 4.155 25 HG2 ARG 3 HG2 ARG 3 52.085 8.063 4.710 26 HG3 ARG 3 HG1 ARG 3 53.031 8.872 5.960 27 HD2 ARG 3 HD2 ARG 3 53.556 8.878 2.978 28 HD3 ARG 3 HD1 ARG 3 53.119 10.256 3.988 29 HE ARG 3 HE ARG 3 55.468 9.324 5.123 30 HH11 ARG 3 HH21 ARG 3 54.402 10.253 1.979 31 HH12 ARG 3 HH22 ARG 3 55.958 10.825 1.476 32 HH21 ARG 3 HH11 ARG 3 57.505 10.067 4.484 33 HH22 ARG 3 HH12 ARG 3 57.715 10.720 2.894 34 H GLN 4 HN GLN 4 55.324 5.595 7.585 35 HA GLN 4 HA GLN 4 56.514 3.441 6.163 36 HB2 GLN 4 HB2 GLN 4 57.494 4.813 8.105 37 HB3 GLN 4 HB1 GLN 4 56.600 3.730 9.171 38 HG2 GLN 4 HG2 GLN 4 57.735 1.788 8.088 39 HG3 GLN 4 HG1 GLN 4 58.690 2.919 7.129 40 HE21 GLN 4 HE21 GLN 4 59.192 0.982 9.631 41 HE22 GLN 4 HE22 GLN 4 60.176 1.948 10.622 42 H GLU 5 HN GLU 5 54.308 3.366 8.977 43 HA GLU 5 HA GLU 5 54.066 0.507 9.036 44 HB2 GLU 5 HB2 GLU 5 52.238 2.705 10.049 45 HB3 GLU 5 HB1 GLU 5 51.980 0.989 10.373 46 HG2 GLU 5 HG2 GLU 5 53.182 1.938 12.252 47 HG3 GLU 5 HG1 GLU 5 54.291 0.895 11.359 48 H GLU 6 HN GLU 6 52.050 3.048 7.533 49 HA GLU 6 HA GLU 6 50.034 1.344 6.528 50 HB2 GLU 6 HB2 GLU 6 49.897 3.829 6.498 51 HB3 GLU 6 HB1 GLU 6 51.102 3.870 5.211 52 HG2 GLU 6 HG2 GLU 6 49.643 2.582 3.749 53 HG3 GLU 6 HG1 GLU 6 48.460 2.401 5.045 54 H LEU 7 HN LEU 7 53.359 1.617 5.593 55 HA LEU 7 HA LEU 7 52.979 0.604 2.883 56 HB2 LEU 7 HB2 LEU 7 54.985 1.960 3.878 57 HB3 LEU 7 HB1 LEU 7 55.546 0.402 4.469 58 HG LEU 7 HG LEU 7 56.600 0.872 2.334 59 HD11 LEU 7 HD11 LEU 7 54.463 -1.146 1.682 60 HD12 LEU 7 HD12 LEU 7 55.694 -1.477 2.903 61 HD13 LEU 7 HD13 LEU 7 56.168 -1.158 1.237 62 HD21 LEU 7 HD21 LEU 7 55.531 1.604 0.428 63 HD22 LEU 7 HD22 LEU 7 54.471 2.329 1.634 64 HD23 LEU 7 HD23 LEU 7 54.003 0.828 0.833 65 H ALA 8 HN ALA 8 54.242 -0.779 5.930 66 HA ALA 8 HA ALA 8 54.450 -3.452 4.929 67 HB1 ALA 8 HB1 ALA 8 54.008 -2.533 7.788 68 HB2 ALA 8 HB2 ALA 8 55.577 -2.691 6.998 69 HB3 ALA 8 HB3 ALA 8 54.589 -4.123 7.293 70 H ALA 9 HN ALA 9 51.731 -1.600 6.063 71 HA ALA 9 HA ALA 9 50.028 -3.879 6.650 72 HB1 ALA 9 HB1 ALA 9 49.469 -0.939 6.198 73 HB2 ALA 9 HB2 ALA 9 49.474 -1.813 7.730 74 HB3 ALA 9 HB3 ALA 9 48.197 -2.109 6.549 75 H ALA 10 HN ALA 10 50.048 -1.488 3.964 76 HA ALA 10 HA ALA 10 48.107 -2.852 2.392 77 HB1 ALA 10 HB1 ALA 10 50.307 -0.904 1.751 78 HB2 ALA 10 HB2 ALA 10 48.562 -0.680 1.642 79 HB3 ALA 10 HB3 ALA 10 49.400 -1.662 0.441 80 H ARG 11 HN ARG 11 51.515 -3.381 2.905 81 HA ARG 11 HA ARG 11 51.907 -5.159 0.653 82 HB2 ARG 11 HB2 ARG 11 53.597 -3.924 2.382 83 HB3 ARG 11 HB1 ARG 11 53.541 -5.499 3.158 84 HG2 ARG 11 HG2 ARG 11 55.259 -5.922 1.686 85 HG3 ARG 11 HG1 ARG 11 53.927 -6.313 0.605 86 HD2 ARG 11 HD2 ARG 11 54.027 -3.704 0.088 87 HD3 ARG 11 HD1 ARG 11 55.686 -3.878 0.651 88 HE ARG 11 HE ARG 11 54.731 -4.620 -1.919 89 HH11 ARG 11 HH21 ARG 11 56.599 -5.949 0.664 90 HH12 ARG 11 HH22 ARG 11 57.289 -7.196 -0.312 91 HH21 ARG 11 HH11 ARG 11 55.644 -6.223 -3.199 92 HH22 ARG 11 HH12 ARG 11 56.759 -7.346 -2.496 93 H ALA 12 HN ALA 12 51.340 -5.689 4.194 94 HA ALA 12 HA ALA 12 51.265 -8.498 4.141 95 HB1 ALA 12 HB1 ALA 12 51.146 -7.208 6.237 96 HB2 ALA 12 HB2 ALA 12 49.801 -8.344 6.134 97 HB3 ALA 12 HB3 ALA 12 49.540 -6.635 5.791 98 H ALA 13 HN ALA 13 49.178 -6.250 2.767 99 HA ALA 13 HA ALA 13 46.840 -7.970 2.585 100 HB1 ALA 13 HB1 ALA 13 46.945 -5.364 2.470 101 HB2 ALA 13 HB2 ALA 13 45.815 -6.210 1.413 102 HB3 ALA 13 HB3 ALA 13 47.347 -5.615 0.771 103 H LEU 14 HN LEU 14 49.528 -7.059 0.391 104 HA LEU 14 HA LEU 14 48.516 -8.415 -1.875 105 HB2 LEU 14 HB2 LEU 14 51.035 -7.219 -1.187 106 HB3 LEU 14 HB1 LEU 14 51.369 -8.783 -1.899 107 HG LEU 14 HG LEU 14 49.506 -6.767 -3.188 108 HD11 LEU 14 HD11 LEU 14 51.351 -6.076 -4.586 109 HD12 LEU 14 HD12 LEU 14 52.432 -7.232 -3.810 110 HD13 LEU 14 HD13 LEU 14 51.822 -5.848 -2.905 111 HD21 LEU 14 HD21 LEU 14 49.599 -8.167 -5.068 112 HD22 LEU 14 HD22 LEU 14 49.545 -9.323 -3.741 113 HD23 LEU 14 HD23 LEU 14 51.080 -8.961 -4.528 114 H HIS 15 HN HIS 15 50.111 -9.652 0.997 115 HA HIS 15 HA HIS 15 50.464 -12.332 -0.106 116 HB2 HIS 15 HB2 HIS 15 51.848 -11.403 1.775 117 HB3 HIS 15 HB1 HIS 15 50.416 -11.471 2.801 118 HD1 HIS 15 HD1 HIS 15 50.127 -13.604 4.054 119 HD2 HIS 15 HD2 HIS 15 52.414 -14.151 0.612 120 HE1 HIS 15 HE1 HIS 15 50.856 -16.029 4.056 121 H ASP 16 HN ASP 16 48.016 -10.638 1.773 122 HA ASP 16 HA ASP 16 46.478 -13.029 2.380 123 HB2 ASP 16 HB2 ASP 16 45.457 -10.185 2.378 124 HB3 ASP 16 HB1 ASP 16 44.889 -11.542 3.349 125 H LEU 17 HN LEU 17 46.835 -11.130 -0.451 126 HA LEU 17 HA LEU 17 44.121 -11.833 -1.451 127 HB2 LEU 17 HB2 LEU 17 46.317 -10.090 -2.590 128 HB3 LEU 17 HB1 LEU 17 44.830 -10.454 -3.448 129 HG LEU 17 HG LEU 17 44.763 -9.332 -0.642 130 HD11 LEU 17 HD11 LEU 17 46.062 -7.686 -1.746 131 HD12 LEU 17 HD12 LEU 17 44.410 -7.080 -1.841 132 HD13 LEU 17 HD13 LEU 17 45.149 -7.850 -3.245 133 HD21 LEU 17 HD21 LEU 17 42.839 -9.475 -2.979 134 HD22 LEU 17 HD22 LEU 17 42.588 -8.355 -1.648 135 HD23 LEU 17 HD23 LEU 17 42.617 -10.087 -1.343 136 H MET 18 HN MET 18 47.476 -12.795 -1.844 137 HA MET 18 HA MET 18 46.798 -14.408 -4.243 138 HB2 MET 18 HB2 MET 18 49.326 -13.561 -2.867 139 HB3 MET 18 HB1 MET 18 49.369 -15.061 -3.792 140 HG2 MET 18 HG2 MET 18 48.897 -13.981 -5.818 141 HG3 MET 18 HG1 MET 18 48.187 -12.577 -5.022 142 HE1 MET 18 HE1 MET 18 51.360 -11.372 -7.017 143 HE2 MET 18 HE2 MET 18 49.625 -11.672 -7.079 144 HE3 MET 18 HE3 MET 18 50.751 -12.996 -7.365 145 H THR 19 HN THR 19 46.648 -14.769 -0.895 146 HA THR 19 HA THR 19 47.362 -17.642 -0.905 147 HB THR 19 HB THR 19 46.513 -17.400 1.551 148 HG1 THR 19 HG1 THR 19 46.546 -14.754 0.583 149 HG21 THR 19 HG21 THR 19 48.910 -15.809 0.588 150 HG22 THR 19 HG22 THR 19 48.891 -17.545 0.898 151 HG23 THR 19 HG23 THR 19 48.662 -16.409 2.229 152 H GLY 20 HN GLY 20 44.646 -15.827 -1.711 153 HA2 GLY 20 HA2 GLY 20 42.812 -17.399 -2.594 154 HA3 GLY 20 HA1 GLY 20 42.776 -18.059 -0.962 155 H LYS 21 HN LYS 21 42.858 -15.793 0.617 156 HA LYS 21 HA LYS 21 40.191 -14.918 0.624 157 HB2 LYS 21 HB2 LYS 21 42.326 -13.037 1.602 158 HB3 LYS 21 HB1 LYS 21 40.777 -13.436 2.334 159 HG2 LYS 21 HG2 LYS 21 43.234 -15.214 2.220 160 HG3 LYS 21 HG1 LYS 21 42.567 -14.433 3.648 161 HD2 LYS 21 HD2 LYS 21 41.193 -16.573 1.991 162 HD3 LYS 21 HD1 LYS 21 41.890 -16.784 3.592 163 HE2 LYS 21 HE2 LYS 21 40.278 -14.827 4.272 164 HE3 LYS 21 HE1 LYS 21 39.413 -15.275 2.802 165 HZ1 LYS 21 HZ1 LYS 21 39.820 -16.813 5.262 166 HZ2 LYS 21 HZ2 LYS 21 39.689 -17.658 3.793 167 HZ3 LYS 21 HZ3 LYS 21 38.426 -16.645 4.310 168 H ARG 22 HN ARG 22 39.211 -13.891 -1.055 169 HA ARG 22 HA ARG 22 40.714 -12.248 -2.910 170 HB2 ARG 22 HB2 ARG 22 38.943 -13.670 -3.752 171 HB3 ARG 22 HB1 ARG 22 37.774 -12.930 -2.660 172 HG2 ARG 22 HG2 ARG 22 37.925 -10.821 -3.812 173 HG3 ARG 22 HG1 ARG 22 39.273 -11.395 -4.791 174 HD2 ARG 22 HD2 ARG 22 36.432 -12.446 -4.853 175 HD3 ARG 22 HD1 ARG 22 37.223 -11.496 -6.110 176 HE ARG 22 HE ARG 22 38.872 -13.703 -5.814 177 HH11 ARG 22 HH21 ARG 22 35.517 -13.136 -6.365 178 HH12 ARG 22 HH22 ARG 22 35.287 -14.586 -7.285 179 HH21 ARG 22 HH11 ARG 22 38.591 -15.601 -7.012 180 HH22 ARG 22 HH12 ARG 22 37.027 -15.981 -7.652 181 H VAL 23 HN VAL 23 38.184 -11.684 -0.455 182 HA VAL 23 HA VAL 23 38.281 -8.764 -0.938 183 HB VAL 23 HB VAL 23 36.151 -9.883 -0.356 184 HG11 VAL 23 HG11 VAL 23 37.348 -10.321 2.391 185 HG12 VAL 23 HG12 VAL 23 37.321 -11.585 1.161 186 HG13 VAL 23 HG13 VAL 23 35.808 -10.919 1.776 187 HG21 VAL 23 HG21 VAL 23 36.631 -7.492 0.290 188 HG22 VAL 23 HG22 VAL 23 37.097 -8.072 1.889 189 HG23 VAL 23 HG23 VAL 23 35.440 -8.282 1.323 190 H ALA 24 HN ALA 24 39.425 -7.318 0.257 191 HA ALA 24 HA ALA 24 40.606 -8.152 2.866 192 HB1 ALA 24 HB1 ALA 24 42.204 -6.935 0.591 193 HB2 ALA 24 HB2 ALA 24 42.347 -8.595 1.167 194 HB3 ALA 24 HB3 ALA 24 42.810 -7.255 2.215 195 H THR 25 HN THR 25 41.098 -6.334 4.228 196 HA THR 25 HA THR 25 39.747 -3.782 3.360 197 HB THR 25 HB THR 25 40.363 -4.576 6.212 198 HG1 THR 25 HG1 THR 25 39.120 -6.230 5.666 199 HG21 THR 25 HG21 THR 25 39.606 -2.234 5.465 200 HG22 THR 25 HG22 THR 25 38.693 -3.001 6.764 201 HG23 THR 25 HG23 THR 25 38.049 -2.987 5.123 202 H VAL 26 HN VAL 26 40.902 -1.843 3.496 203 HA VAL 26 HA VAL 26 43.520 -1.805 4.855 204 HB VAL 26 HB VAL 26 44.249 -0.555 2.513 205 HG11 VAL 26 HG11 VAL 26 44.475 -3.541 2.999 206 HG12 VAL 26 HG12 VAL 26 45.512 -2.324 3.742 207 HG13 VAL 26 HG13 VAL 26 45.539 -2.554 1.994 208 HG21 VAL 26 HG21 VAL 26 43.497 -1.905 0.639 209 HG22 VAL 26 HG22 VAL 26 42.093 -1.216 1.456 210 HG23 VAL 26 HG23 VAL 26 42.519 -2.910 1.707 211 H GLN 27 HN GLN 27 44.089 0.211 5.518 212 HA GLN 27 HA GLN 27 41.987 2.255 5.534 213 HB2 GLN 27 HB2 GLN 27 44.717 2.020 6.821 214 HB3 GLN 27 HB1 GLN 27 43.751 3.490 6.947 215 HG2 GLN 27 HG2 GLN 27 41.912 2.226 7.961 216 HG3 GLN 27 HG1 GLN 27 42.822 0.726 7.781 217 HE21 GLN 27 HE21 GLN 27 42.085 1.371 10.366 218 HE22 GLN 27 HE22 GLN 27 43.425 1.919 11.251 219 H LYS 28 HN LYS 28 41.874 3.819 3.953 220 HA LYS 28 HA LYS 28 44.426 4.730 2.676 221 HB2 LYS 28 HB2 LYS 28 43.308 3.072 1.203 222 HB3 LYS 28 HB1 LYS 28 41.849 4.063 1.223 223 HG2 LYS 28 HG2 LYS 28 43.035 5.914 0.174 224 HG3 LYS 28 HG1 LYS 28 44.557 5.027 0.258 225 HD2 LYS 28 HD2 LYS 28 43.661 3.302 -1.239 226 HD3 LYS 28 HD1 LYS 28 42.108 4.136 -1.293 227 HE2 LYS 28 HE2 LYS 28 43.300 6.151 -2.216 228 HE3 LYS 28 HE1 LYS 28 44.765 5.173 -2.316 229 HZ1 LYS 28 HZ1 LYS 28 42.187 4.521 -3.639 230 HZ2 LYS 28 HZ2 LYS 28 43.637 3.647 -3.777 231 HZ3 LYS 28 HZ3 LYS 28 43.526 5.219 -4.411 232 H ASP 29 HN ASP 29 44.444 7.036 2.363 233 HA ASP 29 HA ASP 29 43.661 9.265 2.693 234 HB2 ASP 29 HB2 ASP 29 42.432 8.525 0.608 235 HB3 ASP 29 HB1 ASP 29 41.069 8.093 1.641 236 H GLY 30 HN GLY 30 43.327 7.319 4.925 237 HA2 GLY 30 HA2 GLY 30 42.486 7.599 7.121 238 HA3 GLY 30 HA1 GLY 30 41.527 8.962 6.542 239 H ARG 31 HN ARG 31 40.366 7.336 4.333 240 HA ARG 31 HA ARG 31 38.303 5.938 5.964 241 HB2 ARG 31 HB2 ARG 31 37.514 7.649 4.359 242 HB3 ARG 31 HB1 ARG 31 38.292 6.774 3.047 243 HG2 ARG 31 HG2 ARG 31 35.852 6.293 3.193 244 HG3 ARG 31 HG1 ARG 31 36.839 4.851 3.397 245 HD2 ARG 31 HD2 ARG 31 34.840 5.310 5.051 246 HD3 ARG 31 HD1 ARG 31 36.362 4.677 5.676 247 HE ARG 31 HE ARG 31 36.683 7.413 5.876 248 HH11 ARG 31 HH21 ARG 31 34.293 5.119 6.823 249 HH12 ARG 31 HH22 ARG 31 33.804 6.009 8.226 250 HH21 ARG 31 HH11 ARG 31 36.059 8.589 7.700 251 HH22 ARG 31 HH12 ARG 31 34.804 7.974 8.723 252 H ARG 32 HN ARG 32 37.909 3.803 5.738 253 HA ARG 32 HA ARG 32 39.965 2.177 4.412 254 HB2 ARG 32 HB2 ARG 32 39.430 0.593 5.977 255 HB3 ARG 32 HB1 ARG 32 38.655 1.946 6.787 256 HG2 ARG 32 HG2 ARG 32 36.506 1.344 5.637 257 HG3 ARG 32 HG1 ARG 32 37.300 -0.090 4.987 258 HD2 ARG 32 HD2 ARG 32 36.607 0.548 7.843 259 HD3 ARG 32 HD1 ARG 32 36.297 -0.928 6.927 260 HE ARG 32 HE ARG 32 39.058 -0.804 7.041 261 HH11 ARG 32 HH21 ARG 32 36.456 -0.648 9.296 262 HH12 ARG 32 HH22 ARG 32 37.358 -1.363 10.590 263 HH21 ARG 32 HH11 ARG 32 40.252 -1.740 8.718 264 HH22 ARG 32 HH12 ARG 32 39.508 -1.981 10.262 265 H VAL 33 HN VAL 33 39.571 0.659 2.781 266 HA VAL 33 HA VAL 33 36.846 0.532 1.581 267 HB VAL 33 HB VAL 33 39.341 1.339 0.041 268 HG11 VAL 33 HG11 VAL 33 36.581 0.486 -0.877 269 HG12 VAL 33 HG12 VAL 33 38.126 -0.243 -1.315 270 HG13 VAL 33 HG13 VAL 33 37.708 1.363 -1.907 271 HG21 VAL 33 HG21 VAL 33 38.363 3.293 1.005 272 HG22 VAL 33 HG22 VAL 33 36.725 2.706 0.721 273 HG23 VAL 33 HG23 VAL 33 37.719 3.235 -0.634 274 H GLU 34 HN GLU 34 36.488 -1.371 0.459 275 HA GLU 34 HA GLU 34 38.512 -3.520 0.947 276 HB2 GLU 34 HB2 GLU 34 35.512 -3.398 0.857 277 HB3 GLU 34 HB1 GLU 34 36.277 -4.919 0.402 278 HG2 GLU 34 HG2 GLU 34 37.358 -5.116 2.532 279 HG3 GLU 34 HG1 GLU 34 36.939 -3.459 2.971 280 H PHE 35 HN PHE 35 39.788 -3.664 -0.917 281 HA PHE 35 HA PHE 35 38.447 -3.589 -3.580 282 HB2 PHE 35 HB2 PHE 35 41.330 -3.584 -2.663 283 HB3 PHE 35 HB1 PHE 35 40.923 -3.944 -4.336 284 HD1 PHE 35 HD1 PHE 35 39.063 -2.199 -5.345 285 HD2 PHE 35 HD2 PHE 35 41.882 -1.372 -2.222 286 HE1 PHE 35 HE1 PHE 35 38.920 0.226 -5.848 287 HE2 PHE 35 HE2 PHE 35 41.743 1.041 -2.705 288 HZ PHE 35 HZ PHE 35 40.258 1.850 -4.531 289 H THR 36 HN THR 36 38.333 -5.455 -4.886 290 HA THR 36 HA THR 36 38.958 -8.038 -3.507 291 HB THR 36 HB THR 36 37.417 -9.034 -5.171 292 HG1 THR 36 HG1 THR 36 36.314 -7.589 -6.568 293 HG21 THR 36 HG21 THR 36 36.058 -6.576 -4.088 294 HG22 THR 36 HG22 THR 36 36.623 -7.854 -3.010 295 HG23 THR 36 HG23 THR 36 35.418 -8.211 -4.248 296 H ALA 37 HN ALA 37 39.971 -9.789 -4.965 297 HA ALA 37 HA ALA 37 42.347 -8.909 -6.188 298 HB1 ALA 37 HB1 ALA 37 42.201 -11.227 -5.712 299 HB2 ALA 37 HB2 ALA 37 42.239 -11.139 -7.470 300 HB3 ALA 37 HB3 ALA 37 40.709 -11.406 -6.636 301 H THR 38 HN THR 38 39.204 -8.492 -7.385 302 HA THR 38 HA THR 38 39.607 -8.715 -10.193 303 HB THR 38 HB THR 38 37.674 -7.166 -10.392 304 HG1 THR 38 HG1 THR 38 38.200 -5.804 -8.670 305 HG21 THR 38 HG21 THR 38 36.101 -8.667 -9.541 306 HG22 THR 38 HG22 THR 38 37.034 -8.977 -8.080 307 HG23 THR 38 HG23 THR 38 37.540 -9.685 -9.616 308 H SER 39 HN SER 39 40.555 -6.240 -7.905 309 HA SER 39 HA SER 39 41.763 -4.670 -10.170 310 HB2 SER 39 HB2 SER 39 41.173 -2.624 -9.113 311 HB3 SER 39 HB1 SER 39 39.715 -3.609 -9.048 312 HG SER 39 HG SER 39 39.888 -3.070 -6.993 313 H VAL 40 HN VAL 40 43.339 -6.557 -9.062 314 HA VAL 40 HA VAL 40 44.764 -5.527 -6.723 315 HB VAL 40 HB VAL 40 44.681 -7.923 -6.981 316 HG11 VAL 40 HG11 VAL 40 46.147 -7.558 -9.632 317 HG12 VAL 40 HG12 VAL 40 44.424 -7.917 -9.496 318 HG13 VAL 40 HG13 VAL 40 45.619 -9.084 -8.929 319 HG21 VAL 40 HG21 VAL 40 47.011 -8.440 -6.714 320 HG22 VAL 40 HG22 VAL 40 46.842 -6.766 -6.179 321 HG23 VAL 40 HG23 VAL 40 47.497 -7.120 -7.777 322 H SER 41 HN SER 41 44.841 -4.768 -10.042 323 HA SER 41 HA SER 41 47.673 -4.225 -10.296 324 HB2 SER 41 HB2 SER 41 46.978 -2.928 -12.303 325 HB3 SER 41 HB1 SER 41 46.285 -4.547 -12.281 326 HG SER 41 HG SER 41 44.756 -2.711 -10.963 327 H ASP 42 HN ASP 42 44.824 -2.176 -9.609 328 HA ASP 42 HA ASP 42 46.174 0.307 -9.439 329 HB2 ASP 42 HB2 ASP 42 44.304 1.062 -8.076 330 HB3 ASP 42 HB1 ASP 42 43.687 -0.002 -9.339 331 H LEU 43 HN LEU 43 45.886 -2.325 -7.011 332 HA LEU 43 HA LEU 43 47.000 -0.824 -4.845 333 HB2 LEU 43 HB2 LEU 43 45.822 -3.135 -4.800 334 HB3 LEU 43 HB1 LEU 43 47.392 -3.797 -5.236 335 HG LEU 43 HG LEU 43 48.390 -2.797 -3.194 336 HD11 LEU 43 HD11 LEU 43 45.652 -1.579 -2.980 337 HD12 LEU 43 HD12 LEU 43 47.217 -0.903 -2.539 338 HD13 LEU 43 HD13 LEU 43 46.438 -2.067 -1.478 339 HD21 LEU 43 HD21 LEU 43 47.423 -4.358 -1.657 340 HD22 LEU 43 HD22 LEU 43 47.255 -5.080 -3.258 341 HD23 LEU 43 HD23 LEU 43 45.868 -4.317 -2.485 342 H LYS 44 HN LYS 44 48.428 -2.678 -7.494 343 HA LYS 44 HA LYS 44 51.139 -2.566 -6.517 344 HB2 LYS 44 HB2 LYS 44 49.796 -3.192 -9.112 345 HB3 LYS 44 HB1 LYS 44 51.484 -2.703 -9.222 346 HG2 LYS 44 HG2 LYS 44 52.168 -4.483 -7.739 347 HG3 LYS 44 HG1 LYS 44 50.493 -4.896 -7.381 348 HD2 LYS 44 HD2 LYS 44 50.117 -5.596 -9.675 349 HD3 LYS 44 HD1 LYS 44 51.722 -5.036 -10.147 350 HE2 LYS 44 HE2 LYS 44 51.253 -7.165 -8.048 351 HE3 LYS 44 HE1 LYS 44 51.559 -7.528 -9.747 352 HZ1 LYS 44 HZ1 LYS 44 53.447 -5.662 -8.728 353 HZ2 LYS 44 HZ2 LYS 44 53.714 -7.168 -9.470 354 HZ3 LYS 44 HZ3 LYS 44 53.439 -7.078 -7.795 355 H LYS 45 HN LYS 45 49.286 -0.461 -8.736 356 HA LYS 45 HA LYS 45 51.442 1.347 -9.265 357 HB2 LYS 45 HB2 LYS 45 49.184 1.103 -10.477 358 HB3 LYS 45 HB1 LYS 45 48.521 2.113 -9.194 359 HG2 LYS 45 HG2 LYS 45 50.088 3.906 -9.732 360 HG3 LYS 45 HG1 LYS 45 50.884 2.890 -10.930 361 HD2 LYS 45 HD2 LYS 45 49.418 4.277 -12.188 362 HD3 LYS 45 HD1 LYS 45 48.608 2.716 -12.092 363 HE2 LYS 45 HE2 LYS 45 47.095 3.487 -10.418 364 HE3 LYS 45 HE1 LYS 45 48.057 4.932 -10.104 365 HZ1 LYS 45 HZ1 LYS 45 46.987 4.464 -12.800 366 HZ2 LYS 45 HZ2 LYS 45 47.359 5.930 -12.027 367 HZ3 LYS 45 HZ3 LYS 45 45.959 5.069 -11.595 368 H TYR 46 HN TYR 46 48.877 1.354 -6.806 369 HA TYR 46 HA TYR 46 49.451 3.886 -5.650 370 HB2 TYR 46 HB2 TYR 46 47.433 2.617 -5.103 371 HB3 TYR 46 HB1 TYR 46 48.408 1.343 -4.381 372 HD1 TYR 46 HD1 TYR 46 48.156 5.090 -4.129 373 HD2 TYR 46 HD2 TYR 46 48.459 1.341 -2.047 374 HE1 TYR 46 HE1 TYR 46 48.077 6.286 -1.959 375 HE2 TYR 46 HE2 TYR 46 48.381 2.536 0.121 376 HH TYR 46 HH TYR 46 47.699 4.611 1.051 377 H ILE 47 HN ILE 47 50.663 0.641 -4.763 378 HA ILE 47 HA ILE 47 52.387 1.414 -2.662 379 HB ILE 47 HB ILE 47 52.713 -0.761 -4.748 380 HG12 ILE 47 HG12 ILE 47 51.893 -1.089 -1.857 381 HG13 ILE 47 HG11 ILE 47 50.701 -0.732 -3.107 382 HG21 ILE 47 HG21 ILE 47 54.196 -1.772 -2.890 383 HG22 ILE 47 HG22 ILE 47 54.271 -0.134 -2.239 384 HG23 ILE 47 HG23 ILE 47 54.884 -0.469 -3.858 385 HD11 ILE 47 HD11 ILE 47 51.255 -3.242 -2.510 386 HD12 ILE 47 HD12 ILE 47 52.654 -2.978 -3.553 387 HD13 ILE 47 HD13 ILE 47 51.027 -2.769 -4.193 388 H ALA 48 HN ALA 48 53.173 1.008 -6.124 389 HA ALA 48 HA ALA 48 55.843 1.862 -6.014 390 HB1 ALA 48 HB1 ALA 48 53.858 2.340 -8.254 391 HB2 ALA 48 HB2 ALA 48 54.795 0.865 -8.019 392 HB3 ALA 48 HB3 ALA 48 55.614 2.378 -8.407 393 H GLU 49 HN GLU 49 52.890 3.826 -6.325 394 HA GLU 49 HA GLU 49 54.133 6.321 -6.827 395 HB2 GLU 49 HB2 GLU 49 51.563 5.591 -5.414 396 HB3 GLU 49 HB1 GLU 49 52.054 7.268 -5.647 397 HG2 GLU 49 HG2 GLU 49 52.061 7.019 -8.039 398 HG3 GLU 49 HG1 GLU 49 51.856 5.272 -7.915 399 H LEU 50 HN LEU 50 53.842 4.492 -3.838 400 HA LEU 50 HA LEU 50 54.604 6.764 -2.157 401 HB2 LEU 50 HB2 LEU 50 54.714 3.819 -1.465 402 HB3 LEU 50 HB1 LEU 50 54.694 5.174 -0.339 403 HG LEU 50 HG LEU 50 52.459 4.461 -2.262 404 HD11 LEU 50 HD11 LEU 50 52.449 4.295 0.759 405 HD12 LEU 50 HD12 LEU 50 52.891 2.921 -0.255 406 HD13 LEU 50 HD13 LEU 50 51.277 3.619 -0.371 407 HD21 LEU 50 HD21 LEU 50 51.258 6.147 -0.659 408 HD22 LEU 50 HD22 LEU 50 52.293 6.790 -1.929 409 HD23 LEU 50 HD23 LEU 50 52.889 6.695 -0.271 410 H GLU 51 HN GLU 51 56.298 4.124 -3.789 411 HA GLU 51 HA GLU 51 58.774 4.374 -2.383 412 HB2 GLU 51 HB2 GLU 51 58.023 3.370 -5.124 413 HB3 GLU 51 HB1 GLU 51 59.720 3.494 -4.662 414 HG2 GLU 51 HG2 GLU 51 58.733 1.235 -4.202 415 HG3 GLU 51 HG1 GLU 51 59.366 2.028 -2.759 416 H VAL 52 HN VAL 52 57.368 6.204 -5.053 417 HA VAL 52 HA VAL 52 59.851 7.698 -5.526 418 HB VAL 52 HB VAL 52 57.051 8.343 -6.498 419 HG11 VAL 52 HG11 VAL 52 59.840 9.140 -7.376 420 HG12 VAL 52 HG12 VAL 52 58.546 10.202 -6.820 421 HG13 VAL 52 HG13 VAL 52 58.410 9.386 -8.377 422 HG21 VAL 52 HG21 VAL 52 59.193 6.510 -7.610 423 HG22 VAL 52 HG22 VAL 52 57.894 7.167 -8.607 424 HG23 VAL 52 HG23 VAL 52 57.514 6.110 -7.248 425 H GLN 53 HN GLN 53 56.853 8.136 -3.694 426 HA GLN 53 HA GLN 53 57.447 10.939 -3.090 427 HB2 GLN 53 HB2 GLN 53 55.396 8.984 -2.018 428 HB3 GLN 53 HB1 GLN 53 55.532 10.648 -1.450 429 HG2 GLN 53 HG2 GLN 53 55.191 11.464 -3.757 430 HG3 GLN 53 HG1 GLN 53 55.037 9.798 -4.318 431 HE21 GLN 53 HE21 GLN 53 53.220 12.445 -3.286 432 HE22 GLN 53 HE22 GLN 53 51.801 11.625 -2.844 433 H THR 54 HN THR 54 57.811 7.806 -1.477 434 HA THR 54 HA THR 54 58.935 9.119 0.932 435 HB THR 54 HB THR 54 58.783 6.136 0.487 436 HG1 THR 54 HG1 THR 54 56.747 7.843 0.365 437 HG21 THR 54 HG21 THR 54 59.885 6.934 2.520 438 HG22 THR 54 HG22 THR 54 58.345 6.178 2.932 439 HG23 THR 54 HG23 THR 54 58.486 7.936 2.907 440 H GLY 55 HN GLY 55 60.199 8.818 -1.910 441 HA2 GLY 55 HA2 GLY 55 62.562 7.182 -1.451 442 HA3 GLY 55 HA1 GLY 55 62.323 8.295 -2.799 443 H MET 56 HN MET 56 62.785 8.437 0.749 444 HA MET 56 HA MET 56 64.262 11.005 0.406 445 HB2 MET 56 HB2 MET 56 63.119 9.570 2.816 446 HB3 MET 56 HB1 MET 56 64.169 10.980 2.959 447 HG2 MET 56 HG2 MET 56 61.627 10.957 1.307 448 HG3 MET 56 HG1 MET 56 61.694 11.511 2.979 449 HE1 MET 56 HE1 MET 56 60.506 13.452 1.232 450 HE2 MET 56 HE2 MET 56 61.216 12.785 -0.237 451 HE3 MET 56 HE3 MET 56 61.491 14.475 0.177 452 H THR 57 HN THR 57 66.431 11.203 1.030 453 HA THR 57 HA THR 57 67.834 8.896 2.219 454 HB THR 57 HB THR 57 69.507 8.847 0.346 455 HG1 THR 57 HG1 THR 57 68.475 11.006 -0.376 456 HG21 THR 57 HG21 THR 57 67.497 7.274 0.564 457 HG22 THR 57 HG22 THR 57 68.225 7.398 -1.038 458 HG23 THR 57 HG23 THR 57 66.728 8.259 -0.681 459 H GLN 58 HN GLN 58 68.119 10.574 3.876 460 HA GLN 58 HA GLN 58 70.579 12.094 3.448 461 HB2 GLN 58 HB2 GLN 58 68.797 13.596 2.512 462 HB3 GLN 58 HB1 GLN 58 68.038 13.608 4.106 463 HG2 GLN 58 HG2 GLN 58 70.037 14.585 5.099 464 HG3 GLN 58 HG1 GLN 58 70.894 14.469 3.562 465 HE21 GLN 58 HE21 GLN 58 67.616 15.686 4.492 466 HE22 GLN 58 HE22 GLN 58 67.790 17.177 3.699 467 H ARG 59 HN ARG 59 71.205 10.680 5.198 468 HA ARG 59 HA ARG 59 71.457 10.108 7.467 469 HB2 ARG 59 HB2 ARG 59 70.795 13.054 7.533 470 HB3 ARG 59 HB1 ARG 59 71.225 12.162 8.992 471 HG2 ARG 59 HG2 ARG 59 72.929 12.269 6.488 472 HG3 ARG 59 HG1 ARG 59 73.174 13.313 7.885 473 HD2 ARG 59 HD2 ARG 59 73.119 10.821 9.076 474 HD3 ARG 59 HD1 ARG 59 73.883 10.455 7.533 475 HE ARG 59 HE ARG 59 75.189 11.653 9.713 476 HH11 ARG 59 HH21 ARG 59 74.627 12.349 6.376 477 HH12 ARG 59 HH22 ARG 59 75.970 13.427 6.247 478 HH21 ARG 59 HH11 ARG 59 76.947 13.040 9.544 479 HH22 ARG 59 HH12 ARG 59 77.286 13.813 8.032 480 H ARG 60 HN ARG 60 70.152 10.629 9.756 481 HA ARG 60 HA ARG 60 67.260 10.758 9.395 482 HB2 ARG 60 HB2 ARG 60 66.844 8.447 10.250 483 HB3 ARG 60 HB1 ARG 60 67.614 8.457 8.663 484 HG2 ARG 60 HG2 ARG 60 69.829 8.178 9.779 485 HG3 ARG 60 HG1 ARG 60 68.998 8.048 11.330 486 HD2 ARG 60 HD2 ARG 60 67.698 6.113 10.405 487 HD3 ARG 60 HD1 ARG 60 68.691 6.196 8.950 488 HE ARG 60 HE ARG 60 70.543 6.020 11.004 489 HH11 ARG 60 HH21 ARG 60 67.757 4.262 9.987 490 HH12 ARG 60 HH22 ARG 60 68.339 2.740 10.574 491 HH21 ARG 60 HH11 ARG 60 71.320 4.043 11.776 492 HH22 ARG 60 HH12 ARG 60 70.356 2.615 11.586 493 H ARG 61 HN ARG 61 70.097 10.409 11.373 494 HA ARG 61 HA ARG 61 70.446 10.811 13.663 495 HB2 ARG 61 HB2 ARG 61 67.902 12.441 13.437 496 HB3 ARG 61 HB1 ARG 61 69.201 12.658 14.604 497 HG2 ARG 61 HG2 ARG 61 69.577 12.946 11.607 498 HG3 ARG 61 HG1 ARG 61 69.235 14.300 12.678 499 HD2 ARG 61 HD2 ARG 61 71.676 12.512 12.687 500 HD3 ARG 61 HD1 ARG 61 71.610 14.249 12.415 501 HE ARG 61 HE ARG 61 70.573 13.959 14.960 502 HH11 ARG 61 HH21 ARG 61 73.413 12.937 13.294 503 HH12 ARG 61 HH22 ARG 61 74.412 12.961 14.709 504 HH21 ARG 61 HH11 ARG 61 71.860 13.995 16.816 505 HH22 ARG 61 HH12 ARG 61 73.533 13.560 16.703 506 H GLY 62 HN GLY 62 68.248 11.346 15.583 507 HA2 GLY 62 HA2 GLY 62 67.733 8.679 16.425 508 HA3 GLY 62 HA1 GLY 62 66.865 10.099 17.010 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 55.307 9.686 9.477 2 H2 MET 1 HT2 MET 1 56.794 10.178 10.137 3 H3 MET 1 HT3 MET 1 55.606 9.483 11.134 4 HA MET 1 HA MET 1 57.193 8.146 9.016 5 HB2 MET 1 HB2 MET 1 56.915 7.743 12.011 6 HB3 MET 1 HB1 MET 1 57.830 6.680 10.940 7 HG2 MET 1 HG2 MET 1 59.191 8.672 10.233 8 HG3 MET 1 HG1 MET 1 58.359 9.618 11.466 9 HE1 MET 1 HE1 MET 1 60.124 6.141 10.963 10 HE2 MET 1 HE2 MET 1 61.574 6.434 11.921 11 HE3 MET 1 HE3 MET 1 61.210 7.475 10.547 12 H VAL 2 HN VAL 2 54.089 8.477 10.175 13 HA VAL 2 HA VAL 2 53.158 5.834 10.538 14 HB VAL 2 HB VAL 2 51.685 8.105 9.170 15 HG11 VAL 2 HG11 VAL 2 49.701 6.921 10.199 16 HG12 VAL 2 HG12 VAL 2 50.784 5.589 10.600 17 HG13 VAL 2 HG13 VAL 2 50.500 6.018 8.913 18 HG21 VAL 2 HG21 VAL 2 52.009 7.384 12.100 19 HG22 VAL 2 HG22 VAL 2 50.830 8.547 11.492 20 HG23 VAL 2 HG23 VAL 2 52.556 8.863 11.310 21 H ARG 3 HN ARG 3 53.958 7.584 7.590 22 HA ARG 3 HA ARG 3 52.679 5.895 5.701 23 HB2 ARG 3 HB2 ARG 3 55.347 7.316 5.425 24 HB3 ARG 3 HB1 ARG 3 54.353 6.714 4.096 25 HG2 ARG 3 HG2 ARG 3 52.545 8.238 4.707 26 HG3 ARG 3 HG1 ARG 3 53.454 8.792 6.114 27 HD2 ARG 3 HD2 ARG 3 54.378 9.072 3.240 28 HD3 ARG 3 HD1 ARG 3 53.651 10.363 4.194 29 HE ARG 3 HE ARG 3 55.776 9.512 5.752 30 HH11 ARG 3 HH21 ARG 3 55.318 10.539 2.494 31 HH12 ARG 3 HH22 ARG 3 56.900 11.228 2.347 32 HH21 ARG 3 HH11 ARG 3 57.845 10.405 5.581 33 HH22 ARG 3 HH12 ARG 3 58.332 11.152 4.095 34 H GLN 4 HN GLN 4 55.698 5.511 7.488 35 HA GLN 4 HA GLN 4 56.772 3.351 5.979 36 HB2 GLN 4 HB2 GLN 4 57.689 4.785 8.067 37 HB3 GLN 4 HB1 GLN 4 57.147 3.366 8.957 38 HG2 GLN 4 HG2 GLN 4 59.405 2.891 8.395 39 HG3 GLN 4 HG1 GLN 4 58.459 1.989 7.209 40 HE21 GLN 4 HE21 GLN 4 60.600 2.223 5.925 41 HE22 GLN 4 HE22 GLN 4 60.792 3.630 4.994 42 H GLU 5 HN GLU 5 54.712 3.312 8.903 43 HA GLU 5 HA GLU 5 54.409 0.462 8.985 44 HB2 GLU 5 HB2 GLU 5 53.886 1.868 10.925 45 HB3 GLU 5 HB1 GLU 5 52.585 2.652 10.027 46 HG2 GLU 5 HG2 GLU 5 51.325 0.606 9.905 47 HG3 GLU 5 HG1 GLU 5 52.682 -0.332 10.532 48 H GLU 6 HN GLU 6 52.326 3.027 7.606 49 HA GLU 6 HA GLU 6 50.259 1.353 6.670 50 HB2 GLU 6 HB2 GLU 6 51.355 3.965 5.590 51 HB3 GLU 6 HB1 GLU 6 49.986 3.145 4.839 52 HG2 GLU 6 HG2 GLU 6 48.720 3.248 6.906 53 HG3 GLU 6 HG1 GLU 6 50.111 3.905 7.770 54 H LEU 7 HN LEU 7 53.546 1.555 5.616 55 HA LEU 7 HA LEU 7 53.065 0.534 2.928 56 HB2 LEU 7 HB2 LEU 7 55.126 1.848 3.869 57 HB3 LEU 7 HB1 LEU 7 55.671 0.277 4.437 58 HG LEU 7 HG LEU 7 56.670 0.736 2.275 59 HD11 LEU 7 HD11 LEU 7 54.473 -1.236 1.682 60 HD12 LEU 7 HD12 LEU 7 55.733 -1.597 2.864 61 HD13 LEU 7 HD13 LEU 7 56.161 -1.282 1.185 62 HD21 LEU 7 HD21 LEU 7 55.559 1.507 0.410 63 HD22 LEU 7 HD22 LEU 7 54.543 2.236 1.649 64 HD23 LEU 7 HD23 LEU 7 54.031 0.749 0.849 65 H ALA 8 HN ALA 8 54.380 -0.864 5.945 66 HA ALA 8 HA ALA 8 54.526 -3.542 4.961 67 HB1 ALA 8 HB1 ALA 8 54.113 -2.600 7.816 68 HB2 ALA 8 HB2 ALA 8 55.675 -2.801 7.020 69 HB3 ALA 8 HB3 ALA 8 54.655 -4.206 7.330 70 H ALA 9 HN ALA 9 51.835 -1.649 6.098 71 HA ALA 9 HA ALA 9 50.107 -3.908 6.695 72 HB1 ALA 9 HB1 ALA 9 49.595 -0.957 6.267 73 HB2 ALA 9 HB2 ALA 9 49.577 -1.850 7.788 74 HB3 ALA 9 HB3 ALA 9 48.299 -2.106 6.600 75 H ALA 10 HN ALA 10 50.117 -1.506 4.015 76 HA ALA 10 HA ALA 10 48.147 -2.864 2.468 77 HB1 ALA 10 HB1 ALA 10 50.333 -0.907 1.801 78 HB2 ALA 10 HB2 ALA 10 48.587 -0.684 1.724 79 HB3 ALA 10 HB3 ALA 10 49.405 -1.659 0.504 80 H ARG 11 HN ARG 11 51.584 -3.360 2.879 81 HA ARG 11 HA ARG 11 51.951 -5.126 0.630 82 HB2 ARG 11 HB2 ARG 11 53.671 -3.933 2.319 83 HB3 ARG 11 HB1 ARG 11 53.548 -5.466 3.171 84 HG2 ARG 11 HG2 ARG 11 55.256 -6.050 1.736 85 HG3 ARG 11 HG1 ARG 11 53.916 -6.404 0.647 86 HD2 ARG 11 HD2 ARG 11 54.087 -4.082 -0.247 87 HD3 ARG 11 HD1 ARG 11 55.496 -3.823 0.781 88 HE ARG 11 HE ARG 11 56.138 -6.104 -0.659 89 HH11 ARG 11 HH21 ARG 11 55.063 -2.910 -1.384 90 HH12 ARG 11 HH22 ARG 11 55.879 -2.839 -2.910 91 HH21 ARG 11 HH11 ARG 11 57.211 -6.029 -2.647 92 HH22 ARG 11 HH12 ARG 11 57.095 -4.605 -3.625 93 H ALA 12 HN ALA 12 51.361 -5.700 4.160 94 HA ALA 12 HA ALA 12 51.266 -8.506 4.071 95 HB1 ALA 12 HB1 ALA 12 51.146 -7.235 6.181 96 HB2 ALA 12 HB2 ALA 12 49.800 -8.368 6.061 97 HB3 ALA 12 HB3 ALA 12 49.542 -6.653 5.735 98 H ALA 13 HN ALA 13 49.196 -6.227 2.713 99 HA ALA 13 HA ALA 13 46.853 -7.940 2.507 100 HB1 ALA 13 HB1 ALA 13 45.822 -6.159 1.386 101 HB2 ALA 13 HB2 ALA 13 47.343 -5.572 0.709 102 HB3 ALA 13 HB3 ALA 13 46.984 -5.325 2.417 103 H LEU 14 HN LEU 14 49.581 -7.055 0.363 104 HA LEU 14 HA LEU 14 48.547 -8.378 -1.928 105 HB2 LEU 14 HB2 LEU 14 51.060 -7.157 -1.243 106 HB3 LEU 14 HB1 LEU 14 51.396 -8.699 -2.005 107 HG LEU 14 HG LEU 14 49.484 -6.677 -3.210 108 HD11 LEU 14 HD11 LEU 14 51.292 -5.903 -4.610 109 HD12 LEU 14 HD12 LEU 14 52.411 -7.053 -3.879 110 HD13 LEU 14 HD13 LEU 14 51.777 -5.711 -2.929 111 HD21 LEU 14 HD21 LEU 14 49.599 -8.014 -5.138 112 HD22 LEU 14 HD22 LEU 14 49.562 -9.207 -3.843 113 HD23 LEU 14 HD23 LEU 14 51.091 -8.801 -4.620 114 H HIS 15 HN HIS 15 50.207 -9.623 0.906 115 HA HIS 15 HA HIS 15 50.576 -12.285 -0.227 116 HB2 HIS 15 HB2 HIS 15 51.988 -11.389 1.631 117 HB3 HIS 15 HB1 HIS 15 50.571 -11.417 2.680 118 HD1 HIS 15 HD1 HIS 15 52.718 -13.789 0.625 119 HD2 HIS 15 HD2 HIS 15 50.046 -13.902 3.821 120 HE1 HIS 15 HE1 HIS 15 52.771 -16.158 1.518 121 H ASP 16 HN ASP 16 48.149 -10.649 1.740 122 HA ASP 16 HA ASP 16 46.633 -13.069 2.299 123 HB2 ASP 16 HB2 ASP 16 45.620 -10.225 2.405 124 HB3 ASP 16 HB1 ASP 16 45.022 -11.618 3.304 125 H LEU 17 HN LEU 17 46.975 -11.181 -0.524 126 HA LEU 17 HA LEU 17 44.211 -11.835 -1.447 127 HB2 LEU 17 HB2 LEU 17 46.377 -10.079 -2.624 128 HB3 LEU 17 HB1 LEU 17 44.874 -10.444 -3.457 129 HG LEU 17 HG LEU 17 44.873 -9.336 -0.643 130 HD11 LEU 17 HD11 LEU 17 44.442 -7.089 -1.840 131 HD12 LEU 17 HD12 LEU 17 45.167 -7.852 -3.254 132 HD13 LEU 17 HD13 LEU 17 46.106 -7.666 -1.776 133 HD21 LEU 17 HD21 LEU 17 42.654 -8.379 -1.606 134 HD22 LEU 17 HD22 LEU 17 42.712 -10.100 -1.245 135 HD23 LEU 17 HD23 LEU 17 42.874 -9.543 -2.905 136 H MET 18 HN MET 18 47.555 -12.805 -1.950 137 HA MET 18 HA MET 18 46.801 -14.378 -4.354 138 HB2 MET 18 HB2 MET 18 49.378 -13.621 -3.006 139 HB3 MET 18 HB1 MET 18 49.362 -15.065 -4.015 140 HG2 MET 18 HG2 MET 18 48.829 -13.859 -5.959 141 HG3 MET 18 HG1 MET 18 48.206 -12.481 -5.054 142 HE1 MET 18 HE1 MET 18 50.674 -12.825 -7.529 143 HE2 MET 18 HE2 MET 18 51.311 -11.239 -7.103 144 HE3 MET 18 HE3 MET 18 49.570 -11.509 -7.108 145 H THR 19 HN THR 19 46.711 -14.815 -1.015 146 HA THR 19 HA THR 19 47.419 -17.687 -1.095 147 HB THR 19 HB THR 19 46.616 -17.505 1.374 148 HG1 THR 19 HG1 THR 19 45.526 -15.487 0.948 149 HG21 THR 19 HG21 THR 19 48.967 -15.841 0.426 150 HG22 THR 19 HG22 THR 19 48.987 -17.588 0.660 151 HG23 THR 19 HG23 THR 19 48.760 -16.517 2.042 152 H GLY 20 HN GLY 20 44.853 -16.167 -2.270 153 HA2 GLY 20 HA2 GLY 20 42.944 -17.561 -3.003 154 HA3 GLY 20 HA1 GLY 20 42.941 -18.319 -1.413 155 H LYS 21 HN LYS 21 43.135 -16.079 0.234 156 HA LYS 21 HA LYS 21 40.469 -15.212 0.477 157 HB2 LYS 21 HB2 LYS 21 43.104 -14.156 1.442 158 HB3 LYS 21 HB1 LYS 21 41.665 -13.176 1.699 159 HG2 LYS 21 HG2 LYS 21 42.272 -14.693 3.594 160 HG3 LYS 21 HG1 LYS 21 40.640 -14.939 2.970 161 HD2 LYS 21 HD2 LYS 21 41.264 -16.932 1.828 162 HD3 LYS 21 HD1 LYS 21 42.984 -16.570 1.976 163 HE2 LYS 21 HE2 LYS 21 42.343 -18.312 3.583 164 HE3 LYS 21 HE1 LYS 21 42.814 -16.841 4.434 165 HZ1 LYS 21 HZ1 LYS 21 40.774 -17.764 5.335 166 HZ2 LYS 21 HZ2 LYS 21 40.030 -17.668 3.812 167 HZ3 LYS 21 HZ3 LYS 21 40.482 -16.250 4.631 168 H ARG 22 HN ARG 22 39.319 -14.013 -0.979 169 HA ARG 22 HA ARG 22 40.739 -12.353 -2.936 170 HB2 ARG 22 HB2 ARG 22 38.694 -13.994 -3.288 171 HB3 ARG 22 HB1 ARG 22 37.740 -12.596 -2.796 172 HG2 ARG 22 HG2 ARG 22 38.840 -11.252 -4.572 173 HG3 ARG 22 HG1 ARG 22 39.730 -12.686 -5.080 174 HD2 ARG 22 HD2 ARG 22 37.464 -13.828 -5.361 175 HD3 ARG 22 HD1 ARG 22 36.744 -12.227 -5.182 176 HE ARG 22 HE ARG 22 38.645 -11.871 -7.162 177 HH11 ARG 22 HH21 ARG 22 36.028 -14.037 -6.576 178 HH12 ARG 22 HH22 ARG 22 35.666 -14.266 -8.255 179 HH21 ARG 22 HH11 ARG 22 38.189 -12.156 -9.357 180 HH22 ARG 22 HH12 ARG 22 36.889 -13.200 -9.829 181 H VAL 23 HN VAL 23 38.397 -11.926 -0.285 182 HA VAL 23 HA VAL 23 38.320 -8.995 -0.754 183 HB VAL 23 HB VAL 23 36.270 -10.222 -0.101 184 HG11 VAL 23 HG11 VAL 23 37.568 -11.868 1.366 185 HG12 VAL 23 HG12 VAL 23 36.057 -11.265 2.047 186 HG13 VAL 23 HG13 VAL 23 37.599 -10.603 2.595 187 HG21 VAL 23 HG21 VAL 23 35.553 -8.656 1.614 188 HG22 VAL 23 HG22 VAL 23 36.651 -7.811 0.523 189 HG23 VAL 23 HG23 VAL 23 37.223 -8.360 2.098 190 H ALA 24 HN ALA 24 39.418 -7.509 0.422 191 HA ALA 24 HA ALA 24 40.675 -8.242 3.004 192 HB1 ALA 24 HB1 ALA 24 42.891 -7.477 2.322 193 HB2 ALA 24 HB2 ALA 24 42.296 -7.104 0.705 194 HB3 ALA 24 HB3 ALA 24 42.377 -8.779 1.251 195 H THR 25 HN THR 25 40.991 -6.397 4.325 196 HA THR 25 HA THR 25 39.743 -3.874 3.265 197 HB THR 25 HB THR 25 40.254 -4.736 6.130 198 HG1 THR 25 HG1 THR 25 38.305 -5.563 6.090 199 HG21 THR 25 HG21 THR 25 40.126 -2.371 6.063 200 HG22 THR 25 HG22 THR 25 38.503 -2.902 6.506 201 HG23 THR 25 HG23 THR 25 38.844 -2.395 4.851 202 H VAL 26 HN VAL 26 40.834 -1.881 3.500 203 HA VAL 26 HA VAL 26 43.516 -1.856 4.733 204 HB VAL 26 HB VAL 26 44.092 -0.511 2.388 205 HG11 VAL 26 HG11 VAL 26 44.435 -3.501 2.784 206 HG12 VAL 26 HG12 VAL 26 45.469 -2.271 3.512 207 HG13 VAL 26 HG13 VAL 26 45.417 -2.452 1.760 208 HG21 VAL 26 HG21 VAL 26 41.908 -1.213 1.427 209 HG22 VAL 26 HG22 VAL 26 42.391 -2.900 1.620 210 HG23 VAL 26 HG23 VAL 26 43.285 -1.846 0.525 211 H GLN 27 HN GLN 27 43.935 0.055 5.655 212 HA GLN 27 HA GLN 27 41.865 2.131 5.607 213 HB2 GLN 27 HB2 GLN 27 44.464 1.779 7.112 214 HB3 GLN 27 HB1 GLN 27 43.524 3.270 7.212 215 HG2 GLN 27 HG2 GLN 27 41.583 2.038 8.030 216 HG3 GLN 27 HG1 GLN 27 42.438 0.508 7.834 217 HE21 GLN 27 HE21 GLN 27 43.413 3.675 9.280 218 HE22 GLN 27 HE22 GLN 27 43.914 3.008 10.758 219 H LYS 28 HN LYS 28 41.893 3.629 3.990 220 HA LYS 28 HA LYS 28 44.512 4.346 2.744 221 HB2 LYS 28 HB2 LYS 28 42.662 3.426 1.268 222 HB3 LYS 28 HB1 LYS 28 41.730 4.875 1.641 223 HG2 LYS 28 HG2 LYS 28 43.257 6.295 0.548 224 HG3 LYS 28 HG1 LYS 28 44.541 5.091 0.560 225 HD2 LYS 28 HD2 LYS 28 42.014 4.381 -0.903 226 HD3 LYS 28 HD1 LYS 28 43.067 5.580 -1.647 227 HE2 LYS 28 HE2 LYS 28 43.674 3.368 -2.464 228 HE3 LYS 28 HE1 LYS 28 44.975 3.981 -1.447 229 HZ1 LYS 28 HZ1 LYS 28 44.102 1.589 -1.101 230 HZ2 LYS 28 HZ2 LYS 28 42.835 2.347 -0.260 231 HZ3 LYS 28 HZ3 LYS 28 44.441 2.552 0.253 232 H ASP 29 HN ASP 29 45.074 6.610 2.640 233 HA ASP 29 HA ASP 29 44.303 8.297 4.728 234 HB2 ASP 29 HB2 ASP 29 45.215 9.118 1.952 235 HB3 ASP 29 HB1 ASP 29 45.253 10.143 3.388 236 H GLY 30 HN GLY 30 42.001 8.227 4.944 237 HA2 GLY 30 HA2 GLY 30 40.375 10.214 4.300 238 HA3 GLY 30 HA1 GLY 30 40.389 9.404 2.731 239 H ARG 31 HN ARG 31 40.291 6.744 3.370 240 HA ARG 31 HA ARG 31 38.437 6.096 5.465 241 HB2 ARG 31 HB2 ARG 31 37.243 7.313 3.218 242 HB3 ARG 31 HB1 ARG 31 36.918 5.600 2.995 243 HG2 ARG 31 HG2 ARG 31 36.340 7.122 5.559 244 HG3 ARG 31 HG1 ARG 31 35.144 6.803 4.305 245 HD2 ARG 31 HD2 ARG 31 35.745 4.325 4.574 246 HD3 ARG 31 HD1 ARG 31 36.586 4.799 6.049 247 HE ARG 31 HE ARG 31 34.071 5.920 6.337 248 HH11 ARG 31 HH21 ARG 31 35.349 2.798 5.624 249 HH12 ARG 31 HH22 ARG 31 34.042 1.945 6.376 250 HH21 ARG 31 HH11 ARG 31 32.357 4.824 7.321 251 HH22 ARG 31 HH12 ARG 31 32.348 3.092 7.336 252 H ARG 32 HN ARG 32 38.078 3.884 5.602 253 HA ARG 32 HA ARG 32 40.045 2.237 4.192 254 HB2 ARG 32 HB2 ARG 32 39.600 0.623 5.813 255 HB3 ARG 32 HB1 ARG 32 39.181 2.091 6.680 256 HG2 ARG 32 HG2 ARG 32 36.781 1.717 5.849 257 HG3 ARG 32 HG1 ARG 32 37.309 0.098 5.391 258 HD2 ARG 32 HD2 ARG 32 38.157 -0.159 7.785 259 HD3 ARG 32 HD1 ARG 32 37.271 1.320 8.159 260 HE ARG 32 HE ARG 32 35.381 -0.279 6.919 261 HH11 ARG 32 HH21 ARG 32 37.596 -0.604 9.541 262 HH12 ARG 32 HH22 ARG 32 36.592 -1.703 10.426 263 HH21 ARG 32 HH11 ARG 32 34.057 -1.710 8.060 264 HH22 ARG 32 HH12 ARG 32 34.588 -2.328 9.588 265 H VAL 33 HN VAL 33 39.590 0.615 2.661 266 HA VAL 33 HA VAL 33 36.755 0.246 1.811 267 HB VAL 33 HB VAL 33 38.977 1.162 -0.049 268 HG11 VAL 33 HG11 VAL 33 37.696 -0.516 -1.206 269 HG12 VAL 33 HG12 VAL 33 37.100 1.048 -1.762 270 HG13 VAL 33 HG13 VAL 33 36.178 0.128 -0.578 271 HG21 VAL 33 HG21 VAL 33 37.157 2.946 -0.534 272 HG22 VAL 33 HG22 VAL 33 38.035 3.092 0.986 273 HG23 VAL 33 HG23 VAL 33 36.410 2.406 0.969 274 H GLU 34 HN GLU 34 36.388 -1.698 0.773 275 HA GLU 34 HA GLU 34 38.572 -3.709 1.082 276 HB2 GLU 34 HB2 GLU 34 35.581 -3.753 1.254 277 HB3 GLU 34 HB1 GLU 34 36.362 -5.229 0.692 278 HG2 GLU 34 HG2 GLU 34 37.628 -5.442 2.705 279 HG3 GLU 34 HG1 GLU 34 37.233 -3.799 3.214 280 H PHE 35 HN PHE 35 39.714 -3.783 -0.871 281 HA PHE 35 HA PHE 35 38.175 -3.835 -3.426 282 HB2 PHE 35 HB2 PHE 35 41.124 -3.656 -2.751 283 HB3 PHE 35 HB1 PHE 35 40.580 -4.003 -4.387 284 HD1 PHE 35 HD1 PHE 35 38.532 -2.331 -5.159 285 HD2 PHE 35 HD2 PHE 35 41.629 -1.428 -2.329 286 HE1 PHE 35 HE1 PHE 35 38.229 0.092 -5.589 287 HE2 PHE 35 HE2 PHE 35 41.327 0.984 -2.739 288 HZ PHE 35 HZ PHE 35 39.625 1.754 -4.383 289 H THR 36 HN THR 36 38.077 -5.731 -4.692 290 HA THR 36 HA THR 36 38.979 -8.235 -3.334 291 HB THR 36 HB THR 36 37.485 -9.385 -4.928 292 HG1 THR 36 HG1 THR 36 36.117 -7.770 -6.152 293 HG21 THR 36 HG21 THR 36 35.913 -7.035 -3.897 294 HG22 THR 36 HG22 THR 36 36.645 -8.181 -2.773 295 HG23 THR 36 HG23 THR 36 35.456 -8.736 -3.952 296 H ALA 37 HN ALA 37 40.011 -9.940 -4.881 297 HA ALA 37 HA ALA 37 42.321 -8.921 -6.110 298 HB1 ALA 37 HB1 ALA 37 42.341 -11.074 -7.453 299 HB2 ALA 37 HB2 ALA 37 40.773 -11.441 -6.742 300 HB3 ALA 37 HB3 ALA 37 42.195 -11.281 -5.709 301 H THR 38 HN THR 38 39.138 -8.582 -7.220 302 HA THR 38 HA THR 38 39.475 -8.653 -10.044 303 HB THR 38 HB THR 38 37.494 -7.140 -10.111 304 HG1 THR 38 HG1 THR 38 37.331 -5.856 -8.479 305 HG21 THR 38 HG21 THR 38 36.984 -9.134 -7.918 306 HG22 THR 38 HG22 THR 38 37.444 -9.702 -9.524 307 HG23 THR 38 HG23 THR 38 35.984 -8.737 -9.313 308 H SER 39 HN SER 39 40.404 -6.255 -7.669 309 HA SER 39 HA SER 39 41.501 -4.542 -9.885 310 HB2 SER 39 HB2 SER 39 40.891 -2.570 -8.703 311 HB3 SER 39 HB1 SER 39 39.461 -3.596 -8.653 312 HG SER 39 HG SER 39 40.354 -2.563 -6.612 313 H VAL 40 HN VAL 40 43.157 -6.438 -8.928 314 HA VAL 40 HA VAL 40 44.629 -5.478 -6.580 315 HB VAL 40 HB VAL 40 44.537 -7.870 -6.940 316 HG11 VAL 40 HG11 VAL 40 44.281 -7.747 -9.457 317 HG12 VAL 40 HG12 VAL 40 45.470 -8.942 -8.935 318 HG13 VAL 40 HG13 VAL 40 46.007 -7.389 -9.568 319 HG21 VAL 40 HG21 VAL 40 47.340 -6.999 -7.698 320 HG22 VAL 40 HG22 VAL 40 46.875 -8.382 -6.711 321 HG23 VAL 40 HG23 VAL 40 46.684 -6.742 -6.082 322 H SER 41 HN SER 41 44.621 -4.620 -9.885 323 HA SER 41 HA SER 41 47.443 -4.031 -10.167 324 HB2 SER 41 HB2 SER 41 46.713 -2.726 -12.147 325 HB3 SER 41 HB1 SER 41 46.018 -4.344 -12.134 326 HG SER 41 HG SER 41 44.699 -2.104 -11.012 327 H ASP 42 HN ASP 42 44.570 -2.056 -9.379 328 HA ASP 42 HA ASP 42 45.866 0.454 -9.195 329 HB2 ASP 42 HB2 ASP 42 44.017 1.142 -7.775 330 HB3 ASP 42 HB1 ASP 42 43.387 0.071 -9.025 331 H LEU 43 HN LEU 43 45.706 -2.233 -6.820 332 HA LEU 43 HA LEU 43 46.851 -0.764 -4.650 333 HB2 LEU 43 HB2 LEU 43 45.727 -3.119 -4.676 334 HB3 LEU 43 HB1 LEU 43 47.323 -3.713 -5.113 335 HG LEU 43 HG LEU 43 48.269 -2.722 -3.042 336 HD11 LEU 43 HD11 LEU 43 45.480 -1.616 -2.822 337 HD12 LEU 43 HD12 LEU 43 47.015 -0.890 -2.349 338 HD13 LEU 43 HD13 LEU 43 46.272 -2.110 -1.325 339 HD21 LEU 43 HD21 LEU 43 45.802 -4.347 -2.378 340 HD22 LEU 43 HD22 LEU 43 47.362 -4.358 -1.554 341 HD23 LEU 43 HD23 LEU 43 47.213 -5.044 -3.172 342 H LYS 44 HN LYS 44 48.262 -2.568 -7.358 343 HA LYS 44 HA LYS 44 50.991 -2.393 -6.463 344 HB2 LYS 44 HB2 LYS 44 49.618 -2.905 -9.079 345 HB3 LYS 44 HB1 LYS 44 51.325 -2.473 -9.137 346 HG2 LYS 44 HG2 LYS 44 51.898 -4.325 -7.669 347 HG3 LYS 44 HG1 LYS 44 50.197 -4.717 -7.440 348 HD2 LYS 44 HD2 LYS 44 50.125 -4.964 -10.032 349 HD3 LYS 44 HD1 LYS 44 51.883 -5.038 -9.922 350 HE2 LYS 44 HE2 LYS 44 51.327 -7.298 -9.764 351 HE3 LYS 44 HE1 LYS 44 51.384 -6.853 -8.058 352 HZ1 LYS 44 HZ1 LYS 44 49.017 -7.208 -9.790 353 HZ2 LYS 44 HZ2 LYS 44 48.930 -6.332 -8.338 354 HZ3 LYS 44 HZ3 LYS 44 49.375 -7.970 -8.319 355 H LYS 45 HN LYS 45 49.032 -0.282 -8.582 356 HA LYS 45 HA LYS 45 51.107 1.602 -9.130 357 HB2 LYS 45 HB2 LYS 45 48.811 1.341 -10.255 358 HB3 LYS 45 HB1 LYS 45 48.172 2.279 -8.909 359 HG2 LYS 45 HG2 LYS 45 49.667 4.137 -9.436 360 HG3 LYS 45 HG1 LYS 45 50.435 3.194 -10.709 361 HD2 LYS 45 HD2 LYS 45 48.883 4.568 -11.858 362 HD3 LYS 45 HD1 LYS 45 48.091 2.998 -11.754 363 HE2 LYS 45 HE2 LYS 45 46.680 3.723 -9.961 364 HE3 LYS 45 HE1 LYS 45 47.631 5.187 -9.710 365 HZ1 LYS 45 HZ1 LYS 45 46.654 6.223 -11.426 366 HZ2 LYS 45 HZ2 LYS 45 45.407 5.099 -11.165 367 HZ3 LYS 45 HZ3 LYS 45 46.562 4.824 -12.380 368 H TYR 46 HN TYR 46 48.643 1.481 -6.566 369 HA TYR 46 HA TYR 46 49.208 3.988 -5.363 370 HB2 TYR 46 HB2 TYR 46 47.258 2.619 -4.763 371 HB3 TYR 46 HB1 TYR 46 48.318 1.390 -4.085 372 HD1 TYR 46 HD2 TYR 46 47.873 5.119 -3.823 373 HD2 TYR 46 HD1 TYR 46 48.509 1.404 -1.757 374 HE1 TYR 46 HE2 TYR 46 47.846 6.318 -1.654 375 HE2 TYR 46 HE1 TYR 46 48.474 2.603 0.412 376 HH TYR 46 HH TYR 46 47.476 4.796 1.282 377 H ILE 47 HN ILE 47 50.519 0.755 -4.554 378 HA ILE 47 HA ILE 47 52.340 1.576 -2.555 379 HB ILE 47 HB ILE 47 52.690 -0.605 -4.632 380 HG12 ILE 47 HG12 ILE 47 51.762 -0.995 -1.782 381 HG13 ILE 47 HG11 ILE 47 50.604 -0.578 -3.043 382 HG21 ILE 47 HG21 ILE 47 54.092 0.008 -2.026 383 HG22 ILE 47 HG22 ILE 47 54.810 -0.227 -3.619 384 HG23 ILE 47 HG23 ILE 47 54.119 -1.598 -2.752 385 HD11 ILE 47 HD11 ILE 47 52.519 -2.815 -3.605 386 HD12 ILE 47 HD12 ILE 47 50.857 -2.595 -4.141 387 HD13 ILE 47 HD13 ILE 47 51.184 -3.123 -2.491 388 H ALA 48 HN ALA 48 52.765 1.359 -6.078 389 HA ALA 48 HA ALA 48 55.484 2.090 -6.207 390 HB1 ALA 48 HB1 ALA 48 54.398 1.295 -8.190 391 HB2 ALA 48 HB2 ALA 48 54.883 2.959 -8.515 392 HB3 ALA 48 HB3 ALA 48 53.203 2.590 -8.128 393 H GLU 49 HN GLU 49 52.587 4.166 -6.151 394 HA GLU 49 HA GLU 49 53.890 6.647 -6.556 395 HB2 GLU 49 HB2 GLU 49 51.379 5.920 -5.034 396 HB3 GLU 49 HB1 GLU 49 51.913 7.589 -5.238 397 HG2 GLU 49 HG2 GLU 49 51.817 7.382 -7.655 398 HG3 GLU 49 HG1 GLU 49 51.455 5.660 -7.530 399 H LEU 50 HN LEU 50 53.667 4.652 -3.655 400 HA LEU 50 HA LEU 50 54.630 6.803 -1.912 401 HB2 LEU 50 HB2 LEU 50 54.623 3.839 -1.317 402 HB3 LEU 50 HB1 LEU 50 54.640 5.167 -0.161 403 HG LEU 50 HG LEU 50 52.375 4.429 -2.037 404 HD11 LEU 50 HD11 LEU 50 51.186 4.231 0.225 405 HD12 LEU 50 HD12 LEU 50 52.789 4.282 0.955 406 HD13 LEU 50 HD13 LEU 50 52.364 2.975 -0.149 407 HD21 LEU 50 HD21 LEU 50 52.300 6.791 -1.943 408 HD22 LEU 50 HD22 LEU 50 52.848 6.833 -0.266 409 HD23 LEU 50 HD23 LEU 50 51.212 6.296 -0.648 410 H GLU 51 HN GLU 51 56.067 4.127 -3.722 411 HA GLU 51 HA GLU 51 58.613 4.126 -2.437 412 HB2 GLU 51 HB2 GLU 51 57.739 3.416 -5.240 413 HB3 GLU 51 HB1 GLU 51 59.422 3.286 -4.735 414 HG2 GLU 51 HG2 GLU 51 58.903 1.678 -3.051 415 HG3 GLU 51 HG1 GLU 51 57.173 1.993 -3.181 416 H VAL 52 HN VAL 52 57.207 6.237 -4.874 417 HA VAL 52 HA VAL 52 59.764 7.577 -5.418 418 HB VAL 52 HB VAL 52 56.962 8.475 -6.158 419 HG11 VAL 52 HG11 VAL 52 59.739 9.142 -7.166 420 HG12 VAL 52 HG12 VAL 52 58.560 10.248 -6.460 421 HG13 VAL 52 HG13 VAL 52 58.271 9.551 -8.054 422 HG21 VAL 52 HG21 VAL 52 57.243 6.257 -7.057 423 HG22 VAL 52 HG22 VAL 52 58.901 6.605 -7.549 424 HG23 VAL 52 HG23 VAL 52 57.553 7.383 -8.379 425 H GLN 53 HN GLN 53 56.961 8.037 -3.326 426 HA GLN 53 HA GLN 53 57.693 10.761 -2.606 427 HB2 GLN 53 HB2 GLN 53 55.347 9.630 -2.531 428 HB3 GLN 53 HB1 GLN 53 55.882 8.960 -0.990 429 HG2 GLN 53 HG2 GLN 53 56.447 11.296 -0.257 430 HG3 GLN 53 HG1 GLN 53 55.698 11.883 -1.740 431 HE21 GLN 53 HE21 GLN 53 54.228 12.961 0.030 432 HE22 GLN 53 HE22 GLN 53 52.880 12.061 0.534 433 H THR 54 HN THR 54 58.192 7.522 -1.256 434 HA THR 54 HA THR 54 59.425 8.593 1.184 435 HB THR 54 HB THR 54 59.707 5.717 0.330 436 HG1 THR 54 HG1 THR 54 57.375 6.383 1.623 437 HG21 THR 54 HG21 THR 54 60.631 6.448 2.489 438 HG22 THR 54 HG22 THR 54 59.270 5.353 2.741 439 HG23 THR 54 HG23 THR 54 59.055 7.091 2.955 440 H GLY 55 HN GLY 55 60.600 9.307 -1.442 441 HA2 GLY 55 HA2 GLY 55 63.386 8.449 -0.854 442 HA3 GLY 55 HA1 GLY 55 62.763 8.197 -2.485 443 H MET 56 HN MET 56 62.333 10.916 -0.212 444 HA MET 56 HA MET 56 64.031 12.688 -1.765 445 HB2 MET 56 HB2 MET 56 62.048 12.554 -3.256 446 HB3 MET 56 HB1 MET 56 61.029 13.104 -1.924 447 HG2 MET 56 HG2 MET 56 62.144 15.228 -1.836 448 HG3 MET 56 HG1 MET 56 63.410 14.677 -2.933 449 HE1 MET 56 HE1 MET 56 59.050 15.651 -3.792 450 HE2 MET 56 HE2 MET 56 59.822 15.191 -2.276 451 HE3 MET 56 HE3 MET 56 59.399 13.950 -3.453 452 H THR 57 HN THR 57 64.737 14.223 -0.354 453 HA THR 57 HA THR 57 62.936 15.206 1.791 454 HB THR 57 HB THR 57 64.539 14.723 3.556 455 HG1 THR 57 HG1 THR 57 66.498 14.745 2.719 456 HG21 THR 57 HG21 THR 57 64.221 12.212 1.899 457 HG22 THR 57 HG22 THR 57 62.902 12.938 2.816 458 HG23 THR 57 HG23 THR 57 64.329 12.331 3.655 459 H GLN 58 HN GLN 58 63.448 17.319 2.406 460 HA GLN 58 HA GLN 58 65.118 18.836 0.606 461 HB2 GLN 58 HB2 GLN 58 63.117 19.776 1.766 462 HB3 GLN 58 HB1 GLN 58 63.986 19.673 3.296 463 HG2 GLN 58 HG2 GLN 58 65.162 21.156 0.941 464 HG3 GLN 58 HG1 GLN 58 64.016 21.941 2.024 465 HE21 GLN 58 HE21 GLN 58 64.651 21.510 4.507 466 HE22 GLN 58 HE22 GLN 58 66.297 21.728 4.865 467 H ARG 59 HN ARG 59 67.229 19.435 0.820 468 HA ARG 59 HA ARG 59 68.591 19.228 3.431 469 HB2 ARG 59 HB2 ARG 59 68.921 17.293 1.196 470 HB3 ARG 59 HB1 ARG 59 70.435 17.898 1.863 471 HG2 ARG 59 HG2 ARG 59 68.193 16.686 3.508 472 HG3 ARG 59 HG1 ARG 59 69.630 15.813 2.986 473 HD2 ARG 59 HD2 ARG 59 70.719 18.080 4.174 474 HD3 ARG 59 HD1 ARG 59 69.323 17.755 5.197 475 HE ARG 59 HE ARG 59 71.749 16.354 5.335 476 HH11 ARG 59 HH21 ARG 59 68.415 15.605 4.824 477 HH12 ARG 59 HH22 ARG 59 68.573 13.968 5.357 478 HH21 ARG 59 HH11 ARG 59 71.956 14.233 6.043 479 HH22 ARG 59 HH12 ARG 59 70.571 13.193 6.051 480 H ARG 60 HN ARG 60 69.978 20.921 3.589 481 HA ARG 60 HA ARG 60 71.356 21.956 1.185 482 HB2 ARG 60 HB2 ARG 60 69.381 23.569 2.821 483 HB3 ARG 60 HB1 ARG 60 70.606 24.315 1.796 484 HG2 ARG 60 HG2 ARG 60 69.709 22.980 -0.137 485 HG3 ARG 60 HG1 ARG 60 68.400 22.436 0.911 486 HD2 ARG 60 HD2 ARG 60 67.771 24.815 1.308 487 HD3 ARG 60 HD1 ARG 60 69.022 25.309 0.169 488 HE ARG 60 HE ARG 60 67.490 23.508 -1.275 489 HH11 ARG 60 HH21 ARG 60 66.918 26.354 0.587 490 HH12 ARG 60 HH22 ARG 60 65.549 26.852 -0.348 491 HH21 ARG 60 HH11 ARG 60 65.704 24.143 -2.508 492 HH22 ARG 60 HH12 ARG 60 64.861 25.600 -2.101 493 H ARG 61 HN ARG 61 73.163 23.329 1.764 494 HA ARG 61 HA ARG 61 75.021 23.822 3.114 495 HB2 ARG 61 HB2 ARG 61 72.932 24.126 5.290 496 HB3 ARG 61 HB1 ARG 61 74.519 24.892 5.224 497 HG2 ARG 61 HG2 ARG 61 73.836 26.094 3.163 498 HG3 ARG 61 HG1 ARG 61 72.234 25.366 3.287 499 HD2 ARG 61 HD2 ARG 61 71.866 26.446 5.444 500 HD3 ARG 61 HD1 ARG 61 73.504 27.101 5.425 501 HE ARG 61 HE ARG 61 72.381 28.064 3.082 502 HH11 ARG 61 HH21 ARG 61 71.547 28.036 6.428 503 HH12 ARG 61 HH22 ARG 61 70.698 29.545 6.365 504 HH21 ARG 61 HH11 ARG 61 71.276 30.033 2.982 505 HH22 ARG 61 HH12 ARG 61 70.544 30.675 4.414 506 H GLY 62 HN GLY 62 75.910 21.681 3.093 507 HA2 GLY 62 HA2 GLY 62 76.256 20.478 5.665 508 HA3 GLY 62 HA1 GLY 62 75.093 19.528 4.737 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 55.903 10.148 9.006 2 H2 MET 1 HT2 MET 1 57.423 10.457 9.698 3 H3 MET 1 HT3 MET 1 56.162 9.833 10.652 4 HA MET 1 HA MET 1 57.537 8.438 8.420 5 HB2 MET 1 HB2 MET 1 57.541 8.080 11.429 6 HB3 MET 1 HB1 MET 1 58.173 6.875 10.306 7 HG2 MET 1 HG2 MET 1 59.107 9.755 10.343 8 HG3 MET 1 HG1 MET 1 59.910 8.467 11.240 9 HE1 MET 1 HE1 MET 1 60.416 6.118 10.034 10 HE2 MET 1 HE2 MET 1 61.778 7.187 10.362 11 HE3 MET 1 HE3 MET 1 61.690 6.331 8.826 12 H VAL 2 HN VAL 2 54.590 8.980 9.884 13 HA VAL 2 HA VAL 2 53.455 6.464 10.356 14 HB VAL 2 HB VAL 2 52.102 8.757 8.902 15 HG11 VAL 2 HG11 VAL 2 50.096 7.811 10.138 16 HG12 VAL 2 HG12 VAL 2 51.097 6.417 10.541 17 HG13 VAL 2 HG13 VAL 2 50.731 6.783 8.854 18 HG21 VAL 2 HG21 VAL 2 51.382 9.364 11.269 19 HG22 VAL 2 HG22 VAL 2 53.083 9.654 10.904 20 HG23 VAL 2 HG23 VAL 2 52.611 8.237 11.843 21 H ARG 3 HN ARG 3 54.051 8.076 7.251 22 HA ARG 3 HA ARG 3 52.658 6.372 5.516 23 HB2 ARG 3 HB2 ARG 3 55.409 7.589 5.118 24 HB3 ARG 3 HB1 ARG 3 54.400 6.928 3.831 25 HG2 ARG 3 HG2 ARG 3 52.636 8.567 4.361 26 HG3 ARG 3 HG1 ARG 3 53.636 9.228 5.655 27 HD2 ARG 3 HD2 ARG 3 54.419 9.148 2.726 28 HD3 ARG 3 HD1 ARG 3 53.813 10.571 3.572 29 HE ARG 3 HE ARG 3 55.980 9.764 5.099 30 HH11 ARG 3 HH21 ARG 3 55.381 10.490 1.783 31 HH12 ARG 3 HH22 ARG 3 56.985 11.069 1.483 32 HH21 ARG 3 HH11 ARG 3 58.079 10.518 4.726 33 HH22 ARG 3 HH12 ARG 3 58.513 11.086 3.149 34 H GLN 4 HN GLN 4 55.543 5.742 7.384 35 HA GLN 4 HA GLN 4 56.532 3.483 5.956 36 HB2 GLN 4 HB2 GLN 4 57.621 4.736 7.920 37 HB3 GLN 4 HB1 GLN 4 56.600 3.749 8.967 38 HG2 GLN 4 HG2 GLN 4 57.540 1.702 7.916 39 HG3 GLN 4 HG1 GLN 4 58.603 2.715 6.938 40 HE21 GLN 4 HE21 GLN 4 57.758 2.161 10.405 41 HE22 GLN 4 HE22 GLN 4 59.329 2.444 10.982 42 H GLU 5 HN GLU 5 54.236 3.679 8.682 43 HA GLU 5 HA GLU 5 53.703 0.878 8.839 44 HB2 GLU 5 HB2 GLU 5 53.084 2.770 10.498 45 HB3 GLU 5 HB1 GLU 5 51.667 3.017 9.482 46 HG2 GLU 5 HG2 GLU 5 52.430 0.359 10.728 47 HG3 GLU 5 HG1 GLU 5 51.243 1.473 11.407 48 H GLU 6 HN GLU 6 51.960 3.494 7.119 49 HA GLU 6 HA GLU 6 49.896 1.906 6.039 50 HB2 GLU 6 HB2 GLU 6 51.272 4.387 4.970 51 HB3 GLU 6 HB1 GLU 6 49.936 3.617 4.114 52 HG2 GLU 6 HG2 GLU 6 48.494 3.874 6.071 53 HG3 GLU 6 HG1 GLU 6 49.831 4.561 6.993 54 H LEU 7 HN LEU 7 53.282 1.852 5.309 55 HA LEU 7 HA LEU 7 52.978 0.708 2.642 56 HB2 LEU 7 HB2 LEU 7 55.028 1.961 3.746 57 HB3 LEU 7 HB1 LEU 7 55.443 0.363 4.344 58 HG LEU 7 HG LEU 7 56.620 0.678 2.276 59 HD11 LEU 7 HD11 LEU 7 55.907 -1.214 1.044 60 HD12 LEU 7 HD12 LEU 7 54.223 -0.987 1.511 61 HD13 LEU 7 HD13 LEU 7 55.405 -1.531 2.704 62 HD21 LEU 7 HD21 LEU 7 54.107 1.075 0.671 63 HD22 LEU 7 HD22 LEU 7 55.756 1.582 0.324 64 HD23 LEU 7 HD23 LEU 7 54.800 2.463 1.510 65 H ALA 8 HN ALA 8 53.890 -0.568 5.850 66 HA ALA 8 HA ALA 8 54.008 -3.305 5.033 67 HB1 ALA 8 HB1 ALA 8 53.886 -3.828 7.435 68 HB2 ALA 8 HB2 ALA 8 53.373 -2.176 7.777 69 HB3 ALA 8 HB3 ALA 8 54.992 -2.484 7.148 70 H ALA 9 HN ALA 9 51.307 -1.238 5.785 71 HA ALA 9 HA ALA 9 49.425 -3.363 6.382 72 HB1 ALA 9 HB1 ALA 9 47.717 -1.507 5.879 73 HB2 ALA 9 HB2 ALA 9 49.107 -0.449 5.635 74 HB3 ALA 9 HB3 ALA 9 48.841 -1.205 7.206 75 H ALA 10 HN ALA 10 49.835 -1.247 3.510 76 HA ALA 10 HA ALA 10 47.980 -2.700 1.905 77 HB1 ALA 10 HB1 ALA 10 49.382 -1.665 -0.026 78 HB2 ALA 10 HB2 ALA 10 50.271 -0.855 1.263 79 HB3 ALA 10 HB3 ALA 10 48.542 -0.572 1.072 80 H ARG 11 HN ARG 11 51.359 -3.201 2.672 81 HA ARG 11 HA ARG 11 51.882 -5.139 0.598 82 HB2 ARG 11 HB2 ARG 11 53.467 -3.830 2.353 83 HB3 ARG 11 HB1 ARG 11 53.273 -5.316 3.270 84 HG2 ARG 11 HG2 ARG 11 55.081 -5.986 2.013 85 HG3 ARG 11 HG1 ARG 11 53.840 -6.376 0.825 86 HD2 ARG 11 HD2 ARG 11 54.116 -4.068 -0.119 87 HD3 ARG 11 HD1 ARG 11 55.463 -3.825 0.991 88 HE ARG 11 HE ARG 11 56.118 -6.167 -0.341 89 HH11 ARG 11 HH21 ARG 11 55.202 -2.964 -1.226 90 HH12 ARG 11 HH22 ARG 11 56.119 -2.965 -2.695 91 HH21 ARG 11 HH11 ARG 11 57.320 -6.188 -2.254 92 HH22 ARG 11 HH12 ARG 11 57.317 -4.791 -3.278 93 H ALA 12 HN ALA 12 51.021 -5.435 4.109 94 HA ALA 12 HA ALA 12 50.869 -8.244 4.206 95 HB1 ALA 12 HB1 ALA 12 50.639 -6.819 6.211 96 HB2 ALA 12 HB2 ALA 12 49.284 -7.940 6.081 97 HB3 ALA 12 HB3 ALA 12 49.078 -6.251 5.619 98 H ALA 13 HN ALA 13 48.971 -6.017 2.560 99 HA ALA 13 HA ALA 13 46.590 -7.666 2.301 100 HB1 ALA 13 HB1 ALA 13 47.256 -5.454 0.373 101 HB2 ALA 13 HB2 ALA 13 46.869 -5.055 2.045 102 HB3 ALA 13 HB3 ALA 13 45.694 -5.912 1.051 103 H LEU 14 HN LEU 14 49.506 -7.046 0.321 104 HA LEU 14 HA LEU 14 48.558 -8.478 -1.955 105 HB2 LEU 14 HB2 LEU 14 51.065 -7.278 -1.198 106 HB3 LEU 14 HB1 LEU 14 51.396 -8.872 -1.846 107 HG LEU 14 HG LEU 14 49.620 -6.874 -3.278 108 HD11 LEU 14 HD11 LEU 14 52.564 -7.387 -3.758 109 HD12 LEU 14 HD12 LEU 14 51.932 -5.969 -2.923 110 HD13 LEU 14 HD13 LEU 14 51.530 -6.244 -4.614 111 HD21 LEU 14 HD21 LEU 14 49.783 -8.332 -5.109 112 HD22 LEU 14 HD22 LEU 14 49.653 -9.446 -3.750 113 HD23 LEU 14 HD23 LEU 14 51.226 -9.125 -4.475 114 H HIS 15 HN HIS 15 50.034 -9.573 1.045 115 HA HIS 15 HA HIS 15 50.397 -12.307 0.095 116 HB2 HIS 15 HB2 HIS 15 51.753 -11.350 1.947 117 HB3 HIS 15 HB1 HIS 15 50.294 -11.238 2.933 118 HD1 HIS 15 HD1 HIS 15 52.642 -13.754 1.392 119 HD2 HIS 15 HD2 HIS 15 49.395 -13.695 4.006 120 HE1 HIS 15 HE1 HIS 15 52.495 -16.072 2.405 121 H ASP 16 HN ASP 16 47.905 -10.510 1.814 122 HA ASP 16 HA ASP 16 46.338 -12.861 2.490 123 HB2 ASP 16 HB2 ASP 16 45.415 -9.985 2.334 124 HB3 ASP 16 HB1 ASP 16 44.679 -11.290 3.260 125 H LEU 17 HN LEU 17 46.772 -11.090 -0.413 126 HA LEU 17 HA LEU 17 44.082 -11.828 -1.450 127 HB2 LEU 17 HB2 LEU 17 46.328 -10.173 -2.638 128 HB3 LEU 17 HB1 LEU 17 44.825 -10.528 -3.474 129 HG LEU 17 HG LEU 17 44.843 -9.274 -0.722 130 HD11 LEU 17 HD11 LEU 17 45.141 -7.949 -3.420 131 HD12 LEU 17 HD12 LEU 17 46.127 -7.721 -1.978 132 HD13 LEU 17 HD13 LEU 17 44.482 -7.090 -2.029 133 HD21 LEU 17 HD21 LEU 17 42.839 -9.551 -2.971 134 HD22 LEU 17 HD22 LEU 17 42.648 -8.319 -1.731 135 HD23 LEU 17 HD23 LEU 17 42.664 -10.021 -1.283 136 H MET 18 HN MET 18 47.437 -12.837 -1.708 137 HA MET 18 HA MET 18 46.826 -14.516 -4.078 138 HB2 MET 18 HB2 MET 18 49.308 -13.670 -2.623 139 HB3 MET 18 HB1 MET 18 49.365 -15.209 -3.481 140 HG2 MET 18 HG2 MET 18 48.998 -14.206 -5.571 141 HG3 MET 18 HG1 MET 18 48.290 -12.755 -4.864 142 HE1 MET 18 HE1 MET 18 49.828 -11.940 -6.883 143 HE2 MET 18 HE2 MET 18 50.912 -13.313 -7.084 144 HE3 MET 18 HE3 MET 18 51.579 -11.713 -6.771 145 H THR 19 HN THR 19 46.501 -14.783 -0.740 146 HA THR 19 HA THR 19 47.164 -17.666 -0.631 147 HB THR 19 HB THR 19 46.169 -17.335 1.765 148 HG1 THR 19 HG1 THR 19 45.181 -15.335 1.259 149 HG21 THR 19 HG21 THR 19 48.581 -17.555 1.242 150 HG22 THR 19 HG22 THR 19 48.298 -16.404 2.548 151 HG23 THR 19 HG23 THR 19 48.659 -15.823 0.922 152 H GLY 20 HN GLY 20 44.546 -15.839 -1.664 153 HA2 GLY 20 HA2 GLY 20 42.718 -17.336 -2.623 154 HA3 GLY 20 HA1 GLY 20 42.601 -18.041 -1.014 155 H LYS 21 HN LYS 21 42.656 -15.817 0.628 156 HA LYS 21 HA LYS 21 40.002 -14.892 0.548 157 HB2 LYS 21 HB2 LYS 21 42.358 -13.388 1.726 158 HB3 LYS 21 HB1 LYS 21 40.664 -13.236 2.197 159 HG2 LYS 21 HG2 LYS 21 40.821 -15.819 2.649 160 HG3 LYS 21 HG1 LYS 21 42.561 -15.529 2.678 161 HD2 LYS 21 HD2 LYS 21 42.211 -13.787 4.423 162 HD3 LYS 21 HD1 LYS 21 40.490 -14.169 4.427 163 HE2 LYS 21 HE2 LYS 21 40.976 -16.475 5.102 164 HE3 LYS 21 HE1 LYS 21 42.708 -16.144 5.037 165 HZ1 LYS 21 HZ1 LYS 21 41.807 -15.999 7.295 166 HZ2 LYS 21 HZ2 LYS 21 40.773 -14.744 6.802 167 HZ3 LYS 21 HZ3 LYS 21 42.456 -14.520 6.777 168 H ARG 22 HN ARG 22 39.133 -13.814 -1.143 169 HA ARG 22 HA ARG 22 40.729 -12.110 -2.854 170 HB2 ARG 22 HB2 ARG 22 38.842 -13.587 -3.626 171 HB3 ARG 22 HB1 ARG 22 37.726 -12.489 -2.818 172 HG2 ARG 22 HG2 ARG 22 38.791 -10.622 -4.188 173 HG3 ARG 22 HG1 ARG 22 39.554 -11.884 -5.144 174 HD2 ARG 22 HD2 ARG 22 36.609 -11.333 -4.798 175 HD3 ARG 22 HD1 ARG 22 37.530 -11.326 -6.296 176 HE ARG 22 HE ARG 22 36.219 -13.586 -5.104 177 HH11 ARG 22 HH21 ARG 22 39.200 -12.728 -6.625 178 HH12 ARG 22 HH22 ARG 22 39.634 -14.366 -6.969 179 HH21 ARG 22 HH11 ARG 22 36.769 -15.708 -5.567 180 HH22 ARG 22 HH12 ARG 22 38.260 -16.048 -6.379 181 H VAL 23 HN VAL 23 38.059 -11.588 -0.530 182 HA VAL 23 HA VAL 23 38.176 -8.673 -0.922 183 HB VAL 23 HB VAL 23 36.082 -9.904 -0.283 184 HG11 VAL 23 HG11 VAL 23 37.325 -10.081 2.472 185 HG12 VAL 23 HG12 VAL 23 37.353 -11.432 1.339 186 HG13 VAL 23 HG13 VAL 23 35.811 -10.799 1.917 187 HG21 VAL 23 HG21 VAL 23 36.326 -7.483 0.139 188 HG22 VAL 23 HG22 VAL 23 37.062 -7.827 1.705 189 HG23 VAL 23 HG23 VAL 23 35.374 -8.245 1.413 190 H ALA 24 HN ALA 24 39.360 -7.240 0.237 191 HA ALA 24 HA ALA 24 40.660 -8.126 2.786 192 HB1 ALA 24 HB1 ALA 24 42.774 -7.027 2.038 193 HB2 ALA 24 HB2 ALA 24 42.060 -6.809 0.440 194 HB3 ALA 24 HB3 ALA 24 42.355 -8.433 1.062 195 H THR 25 HN THR 25 41.204 -6.351 4.195 196 HA THR 25 HA THR 25 39.632 -3.856 3.604 197 HB THR 25 HB THR 25 40.781 -4.676 6.284 198 HG1 THR 25 HG1 THR 25 39.262 -6.098 6.487 199 HG21 THR 25 HG21 THR 25 39.964 -2.382 6.079 200 HG22 THR 25 HG22 THR 25 38.864 -3.317 7.091 201 HG23 THR 25 HG23 THR 25 38.437 -2.965 5.416 202 H VAL 26 HN VAL 26 40.669 -1.793 3.822 203 HA VAL 26 HA VAL 26 43.577 -1.780 4.425 204 HB VAL 26 HB VAL 26 42.612 -0.315 1.979 205 HG11 VAL 26 HG11 VAL 26 44.924 -0.055 3.057 206 HG12 VAL 26 HG12 VAL 26 44.890 -0.409 1.330 207 HG13 VAL 26 HG13 VAL 26 45.251 -1.692 2.488 208 HG21 VAL 26 HG21 VAL 26 41.820 -2.547 1.555 209 HG22 VAL 26 HG22 VAL 26 43.327 -3.251 2.151 210 HG23 VAL 26 HG23 VAL 26 43.319 -2.334 0.650 211 H GLN 27 HN GLN 27 44.092 -0.054 5.626 212 HA GLN 27 HA GLN 27 42.077 2.026 6.158 213 HB2 GLN 27 HB2 GLN 27 44.891 2.155 7.234 214 HB3 GLN 27 HB1 GLN 27 43.374 2.587 8.025 215 HG2 GLN 27 HG2 GLN 27 42.795 0.103 7.971 216 HG3 GLN 27 HG1 GLN 27 44.472 -0.181 7.506 217 HE21 GLN 27 HE21 GLN 27 42.496 1.350 10.091 218 HE22 GLN 27 HE22 GLN 27 43.658 1.138 11.312 219 H LYS 28 HN LYS 28 41.984 3.820 4.839 220 HA LYS 28 HA LYS 28 44.539 4.918 3.746 221 HB2 LYS 28 HB2 LYS 28 43.483 3.440 2.039 222 HB3 LYS 28 HB1 LYS 28 42.035 4.445 2.111 223 HG2 LYS 28 HG2 LYS 28 43.207 6.358 1.276 224 HG3 LYS 28 HG1 LYS 28 44.773 5.574 1.489 225 HD2 LYS 28 HD2 LYS 28 44.232 3.936 -0.239 226 HD3 LYS 28 HD1 LYS 28 42.613 4.615 -0.411 227 HE2 LYS 28 HE2 LYS 28 43.608 6.779 -1.102 228 HE3 LYS 28 HE1 LYS 28 45.216 6.064 -0.977 229 HZ1 LYS 28 HZ1 LYS 28 43.931 6.104 -3.239 230 HZ2 LYS 28 HZ2 LYS 28 43.205 4.701 -2.614 231 HZ3 LYS 28 HZ3 LYS 28 44.892 4.776 -2.810 232 H ASP 29 HN ASP 29 44.553 7.182 4.171 233 HA ASP 29 HA ASP 29 43.674 9.311 4.788 234 HB2 ASP 29 HB2 ASP 29 41.421 8.501 2.927 235 HB3 ASP 29 HB1 ASP 29 41.969 10.134 3.304 236 H GLY 30 HN GLY 30 43.139 7.584 6.784 237 HA2 GLY 30 HA2 GLY 30 41.615 7.026 8.493 238 HA3 GLY 30 HA1 GLY 30 41.006 8.657 8.206 239 H ARG 31 HN ARG 31 40.904 6.054 5.824 240 HA ARG 31 HA ARG 31 38.019 5.622 6.321 241 HB2 ARG 31 HB2 ARG 31 38.151 7.562 4.747 242 HB3 ARG 31 HB1 ARG 31 39.080 6.564 3.636 243 HG2 ARG 31 HG2 ARG 31 36.679 6.646 3.017 244 HG3 ARG 31 HG1 ARG 31 37.210 5.012 3.398 245 HD2 ARG 31 HD2 ARG 31 34.949 5.957 4.412 246 HD3 ARG 31 HD1 ARG 31 35.999 4.927 5.383 247 HE ARG 31 HE ARG 31 36.908 7.471 5.953 248 HH11 ARG 31 HH21 ARG 31 33.854 5.877 5.913 249 HH12 ARG 31 HH22 ARG 31 33.191 6.830 7.198 250 HH21 ARG 31 HH11 ARG 31 36.062 8.726 7.630 251 HH22 ARG 31 HH12 ARG 31 34.440 8.444 8.169 252 H ARG 32 HN ARG 32 37.440 3.593 5.850 253 HA ARG 32 HA ARG 32 39.516 1.699 4.960 254 HB2 ARG 32 HB2 ARG 32 36.724 1.387 6.086 255 HB3 ARG 32 HB1 ARG 32 37.722 0.021 5.593 256 HG2 ARG 32 HG2 ARG 32 39.445 0.644 7.192 257 HG3 ARG 32 HG1 ARG 32 38.560 2.107 7.624 258 HD2 ARG 32 HD2 ARG 32 36.645 0.638 8.349 259 HD3 ARG 32 HD1 ARG 32 37.693 -0.758 8.094 260 HE ARG 32 HE ARG 32 39.170 0.880 9.771 261 HH11 ARG 32 HH21 ARG 32 35.998 -0.472 9.750 262 HH12 ARG 32 HH22 ARG 32 35.889 -0.581 11.475 263 HH21 ARG 32 HH11 ARG 32 39.046 0.744 12.024 264 HH22 ARG 32 HH12 ARG 32 37.615 0.107 12.762 265 H VAL 33 HN VAL 33 39.339 0.365 3.151 266 HA VAL 33 HA VAL 33 36.939 0.563 1.420 267 HB VAL 33 HB VAL 33 39.732 1.194 0.404 268 HG11 VAL 33 HG11 VAL 33 38.588 -0.170 -1.230 269 HG12 VAL 33 HG12 VAL 33 38.456 1.502 -1.776 270 HG13 VAL 33 HG13 VAL 33 37.084 0.719 -0.997 271 HG21 VAL 33 HG21 VAL 33 38.798 3.187 1.343 272 HG22 VAL 33 HG22 VAL 33 37.188 2.807 0.735 273 HG23 VAL 33 HG23 VAL 33 38.460 3.298 -0.382 274 H GLU 34 HN GLU 34 36.630 -1.262 0.182 275 HA GLU 34 HA GLU 34 38.446 -3.560 0.831 276 HB2 GLU 34 HB2 GLU 34 35.469 -3.294 0.455 277 HB3 GLU 34 HB1 GLU 34 36.233 -4.856 0.166 278 HG2 GLU 34 HG2 GLU 34 37.057 -4.973 2.408 279 HG3 GLU 34 HG1 GLU 34 36.666 -3.279 2.714 280 H PHE 35 HN PHE 35 39.846 -3.711 -0.953 281 HA PHE 35 HA PHE 35 38.667 -3.580 -3.691 282 HB2 PHE 35 HB2 PHE 35 41.486 -3.629 -2.601 283 HB3 PHE 35 HB1 PHE 35 41.187 -4.038 -4.286 284 HD1 PHE 35 HD2 PHE 35 39.401 -2.270 -5.448 285 HD2 PHE 35 HD1 PHE 35 42.117 -1.425 -2.235 286 HE1 PHE 35 HE2 PHE 35 39.356 0.140 -6.030 287 HE2 PHE 35 HE1 PHE 35 42.089 0.968 -2.813 288 HZ PHE 35 HZ PHE 35 40.698 1.762 -4.716 289 H THR 36 HN THR 36 38.559 -5.444 -4.996 290 HA THR 36 HA THR 36 39.081 -8.042 -3.593 291 HB THR 36 HB THR 36 37.524 -9.009 -5.247 292 HG1 THR 36 HG1 THR 36 36.546 -7.645 -6.749 293 HG21 THR 36 HG21 THR 36 35.540 -8.103 -4.376 294 HG22 THR 36 HG22 THR 36 36.221 -6.482 -4.259 295 HG23 THR 36 HG23 THR 36 36.735 -7.738 -3.131 296 H ALA 37 HN ALA 37 40.065 -9.816 -5.084 297 HA ALA 37 HA ALA 37 42.469 -8.921 -6.277 298 HB1 ALA 37 HB1 ALA 37 42.615 -11.136 -7.341 299 HB2 ALA 37 HB2 ALA 37 40.917 -11.430 -6.976 300 HB3 ALA 37 HB3 ALA 37 42.088 -11.279 -5.666 301 H THR 38 HN THR 38 39.323 -8.588 -7.505 302 HA THR 38 HA THR 38 39.682 -8.889 -10.292 303 HB THR 38 HB THR 38 37.834 -7.222 -10.519 304 HG1 THR 38 HG1 THR 38 37.241 -6.041 -8.848 305 HG21 THR 38 HG21 THR 38 36.190 -8.625 -9.628 306 HG22 THR 38 HG22 THR 38 37.133 -8.986 -8.186 307 HG23 THR 38 HG23 THR 38 37.568 -9.719 -9.731 308 H SER 39 HN SER 39 40.749 -6.337 -8.134 309 HA SER 39 HA SER 39 42.048 -4.970 -10.477 310 HB2 SER 39 HB2 SER 39 41.490 -2.840 -9.631 311 HB3 SER 39 HB1 SER 39 40.008 -3.768 -9.433 312 HG SER 39 HG SER 39 40.381 -2.803 -7.493 313 H VAL 40 HN VAL 40 43.535 -6.818 -9.236 314 HA VAL 40 HA VAL 40 44.937 -5.743 -6.909 315 HB VAL 40 HB VAL 40 44.808 -8.145 -7.111 316 HG11 VAL 40 HG11 VAL 40 45.760 -9.376 -9.003 317 HG12 VAL 40 HG12 VAL 40 46.353 -7.884 -9.728 318 HG13 VAL 40 HG13 VAL 40 44.616 -8.190 -9.636 319 HG21 VAL 40 HG21 VAL 40 47.652 -7.389 -7.846 320 HG22 VAL 40 HG22 VAL 40 47.131 -8.715 -6.811 321 HG23 VAL 40 HG23 VAL 40 46.961 -7.045 -6.263 322 H SER 41 HN SER 41 45.116 -5.103 -10.254 323 HA SER 41 HA SER 41 47.961 -4.590 -10.430 324 HB2 SER 41 HB2 SER 41 47.358 -3.401 -12.525 325 HB3 SER 41 HB1 SER 41 46.640 -5.008 -12.445 326 HG SER 41 HG SER 41 45.412 -2.508 -11.889 327 H ASP 42 HN ASP 42 45.101 -2.495 -9.933 328 HA ASP 42 HA ASP 42 46.467 -0.017 -9.847 329 HB2 ASP 42 HB2 ASP 42 44.582 0.721 -8.333 330 HB3 ASP 42 HB1 ASP 42 44.054 -0.043 -9.830 331 H LEU 43 HN LEU 43 46.274 -2.612 -7.414 332 HA LEU 43 HA LEU 43 47.251 -1.002 -5.238 333 HB2 LEU 43 HB2 LEU 43 46.095 -3.338 -5.189 334 HB3 LEU 43 HB1 LEU 43 47.704 -3.977 -5.503 335 HG LEU 43 HG LEU 43 48.554 -2.897 -3.445 336 HD11 LEU 43 HD11 LEU 43 47.354 -0.995 -2.912 337 HD12 LEU 43 HD12 LEU 43 46.464 -2.120 -1.897 338 HD13 LEU 43 HD13 LEU 43 45.824 -1.662 -3.474 339 HD21 LEU 43 HD21 LEU 43 45.999 -4.398 -2.821 340 HD22 LEU 43 HD22 LEU 43 47.508 -4.404 -1.910 341 HD23 LEU 43 HD23 LEU 43 47.427 -5.188 -3.487 342 H LYS 44 HN LYS 44 48.803 -3.038 -7.701 343 HA LYS 44 HA LYS 44 51.469 -2.827 -6.667 344 HB2 LYS 44 HB2 LYS 44 50.279 -3.413 -9.364 345 HB3 LYS 44 HB1 LYS 44 52.010 -3.101 -9.261 346 HG2 LYS 44 HG2 LYS 44 52.316 -4.916 -7.696 347 HG3 LYS 44 HG1 LYS 44 50.578 -5.151 -7.551 348 HD2 LYS 44 HD2 LYS 44 50.576 -5.607 -10.074 349 HD3 LYS 44 HD1 LYS 44 52.332 -5.699 -9.952 350 HE2 LYS 44 HE2 LYS 44 51.726 -7.937 -9.660 351 HE3 LYS 44 HE1 LYS 44 51.820 -7.386 -7.987 352 HZ1 LYS 44 HZ1 LYS 44 49.765 -8.653 -8.626 353 HZ2 LYS 44 HZ2 LYS 44 49.312 -7.307 -9.558 354 HZ3 LYS 44 HZ3 LYS 44 49.502 -7.156 -7.876 355 H LYS 45 HN LYS 45 49.719 -0.815 -9.049 356 HA LYS 45 HA LYS 45 51.871 1.000 -9.538 357 HB2 LYS 45 HB2 LYS 45 49.774 0.713 -10.906 358 HB3 LYS 45 HB1 LYS 45 48.912 1.600 -9.652 359 HG2 LYS 45 HG2 LYS 45 50.311 3.558 -9.987 360 HG3 LYS 45 HG1 LYS 45 51.338 2.678 -11.114 361 HD2 LYS 45 HD2 LYS 45 49.923 3.893 -12.545 362 HD3 LYS 45 HD1 LYS 45 49.149 2.312 -12.484 363 HE2 LYS 45 HE2 LYS 45 47.518 4.168 -12.199 364 HE3 LYS 45 HE1 LYS 45 47.571 3.116 -10.788 365 HZ1 LYS 45 HZ1 LYS 45 48.037 5.864 -10.905 366 HZ2 LYS 45 HZ2 LYS 45 49.510 5.122 -10.495 367 HZ3 LYS 45 HZ3 LYS 45 48.125 4.847 -9.551 368 H TYR 46 HN TYR 46 49.208 1.063 -7.183 369 HA TYR 46 HA TYR 46 49.677 3.669 -6.149 370 HB2 TYR 46 HB2 TYR 46 47.660 2.385 -5.634 371 HB3 TYR 46 HB1 TYR 46 48.623 1.188 -4.778 372 HD1 TYR 46 HD1 TYR 46 48.271 4.937 -4.797 373 HD2 TYR 46 HD2 TYR 46 48.554 1.345 -2.450 374 HE1 TYR 46 HE1 TYR 46 48.056 6.273 -2.721 375 HE2 TYR 46 HE2 TYR 46 48.339 2.683 -0.376 376 HH TYR 46 HH TYR 46 47.144 5.554 -0.156 377 H ILE 47 HN ILE 47 50.920 0.512 -5.027 378 HA ILE 47 HA ILE 47 52.493 1.451 -2.873 379 HB ILE 47 HB ILE 47 53.065 -0.825 -4.795 380 HG12 ILE 47 HG12 ILE 47 51.884 -1.060 -2.020 381 HG13 ILE 47 HG11 ILE 47 50.848 -0.744 -3.410 382 HG21 ILE 47 HG21 ILE 47 55.089 -0.427 -3.637 383 HG22 ILE 47 HG22 ILE 47 54.307 -1.703 -2.708 384 HG23 ILE 47 HG23 ILE 47 54.256 -0.036 -2.132 385 HD11 ILE 47 HD11 ILE 47 51.401 -3.240 -2.641 386 HD12 ILE 47 HD12 ILE 47 52.831 -2.979 -3.643 387 HD13 ILE 47 HD13 ILE 47 51.223 -2.823 -4.344 388 H ALA 48 HN ALA 48 53.508 0.871 -6.252 389 HA ALA 48 HA ALA 48 56.154 1.758 -6.043 390 HB1 ALA 48 HB1 ALA 48 55.226 0.701 -8.066 391 HB2 ALA 48 HB2 ALA 48 56.031 2.219 -8.461 392 HB3 ALA 48 HB3 ALA 48 54.271 2.149 -8.385 393 H GLU 49 HN GLU 49 53.232 3.725 -6.635 394 HA GLU 49 HA GLU 49 54.547 6.190 -7.101 395 HB2 GLU 49 HB2 GLU 49 51.835 5.452 -6.015 396 HB3 GLU 49 HB1 GLU 49 52.342 7.142 -6.001 397 HG2 GLU 49 HG2 GLU 49 52.449 5.412 -8.485 398 HG3 GLU 49 HG1 GLU 49 51.064 6.423 -8.076 399 H LEU 50 HN LEU 50 53.922 4.488 -4.072 400 HA LEU 50 HA LEU 50 54.579 6.773 -2.396 401 HB2 LEU 50 HB2 LEU 50 54.743 3.833 -1.674 402 HB3 LEU 50 HB1 LEU 50 54.650 5.191 -0.556 403 HG LEU 50 HG LEU 50 52.506 4.357 -2.533 404 HD11 LEU 50 HD11 LEU 50 52.882 2.963 -0.423 405 HD12 LEU 50 HD12 LEU 50 51.266 3.638 -0.621 406 HD13 LEU 50 HD13 LEU 50 52.404 4.394 0.492 407 HD21 LEU 50 HD21 LEU 50 52.815 6.741 -0.703 408 HD22 LEU 50 HD22 LEU 50 51.208 6.122 -1.082 409 HD23 LEU 50 HD23 LEU 50 52.258 6.694 -2.376 410 H GLU 51 HN GLU 51 56.430 4.184 -3.919 411 HA GLU 51 HA GLU 51 58.841 4.525 -2.420 412 HB2 GLU 51 HB2 GLU 51 58.217 3.472 -5.176 413 HB3 GLU 51 HB1 GLU 51 59.893 3.662 -4.665 414 HG2 GLU 51 HG2 GLU 51 59.074 1.382 -4.187 415 HG3 GLU 51 HG1 GLU 51 59.461 2.241 -2.697 416 H VAL 52 HN VAL 52 57.461 6.290 -5.139 417 HA VAL 52 HA VAL 52 59.893 7.820 -5.633 418 HB VAL 52 HB VAL 52 57.057 8.500 -6.467 419 HG11 VAL 52 HG11 VAL 52 58.337 9.574 -8.384 420 HG12 VAL 52 HG12 VAL 52 59.810 9.296 -7.455 421 HG13 VAL 52 HG13 VAL 52 58.553 10.356 -6.818 422 HG21 VAL 52 HG21 VAL 52 57.521 6.257 -7.246 423 HG22 VAL 52 HG22 VAL 52 59.148 6.713 -7.750 424 HG23 VAL 52 HG23 VAL 52 57.746 7.343 -8.617 425 H GLN 53 HN GLN 53 56.967 8.257 -3.675 426 HA GLN 53 HA GLN 53 57.665 11.027 -3.008 427 HB2 GLN 53 HB2 GLN 53 55.516 9.098 -2.128 428 HB3 GLN 53 HB1 GLN 53 55.785 10.596 -1.237 429 HG2 GLN 53 HG2 GLN 53 54.040 10.800 -3.031 430 HG3 GLN 53 HG1 GLN 53 55.388 11.919 -3.232 431 HE21 GLN 53 HE21 GLN 53 57.124 11.217 -4.825 432 HE22 GLN 53 HE22 GLN 53 56.669 10.245 -6.141 433 H THR 54 HN THR 54 57.880 7.838 -1.444 434 HA THR 54 HA THR 54 59.260 9.069 0.890 435 HB THR 54 HB THR 54 58.688 6.121 0.555 436 HG1 THR 54 HG1 THR 54 56.637 6.472 1.286 437 HG21 THR 54 HG21 THR 54 58.417 6.287 3.022 438 HG22 THR 54 HG22 THR 54 58.798 8.007 2.927 439 HG23 THR 54 HG23 THR 54 60.016 6.808 2.491 440 H GLY 55 HN GLY 55 60.334 8.591 -1.984 441 HA2 GLY 55 HA2 GLY 55 62.320 6.582 -1.967 442 HA3 GLY 55 HA1 GLY 55 62.444 8.086 -2.882 443 H MET 56 HN MET 56 62.056 9.295 0.043 444 HA MET 56 HA MET 56 64.891 9.816 0.418 445 HB2 MET 56 HB2 MET 56 62.490 10.481 2.150 446 HB3 MET 56 HB1 MET 56 64.123 11.094 2.417 447 HG2 MET 56 HG2 MET 56 62.982 12.796 1.186 448 HG3 MET 56 HG1 MET 56 64.036 11.986 0.026 449 HE1 MET 56 HE1 MET 56 62.431 13.067 -1.985 450 HE2 MET 56 HE2 MET 56 61.723 13.841 -0.570 451 HE3 MET 56 HE3 MET 56 60.676 13.082 -1.765 452 H THR 57 HN THR 57 65.997 9.378 2.525 453 HA THR 57 HA THR 57 65.018 7.464 4.406 454 HB THR 57 HB THR 57 65.106 5.771 2.743 455 HG1 THR 57 HG1 THR 57 66.236 4.598 4.037 456 HG21 THR 57 HG21 THR 57 66.227 6.916 0.963 457 HG22 THR 57 HG22 THR 57 67.202 5.493 1.330 458 HG23 THR 57 HG23 THR 57 67.704 7.080 1.913 459 H GLN 58 HN GLN 58 66.159 9.507 5.309 460 HA GLN 58 HA GLN 58 68.974 9.833 5.182 461 HB2 GLN 58 HB2 GLN 58 67.037 10.440 7.436 462 HB3 GLN 58 HB1 GLN 58 68.714 10.987 7.399 463 HG2 GLN 58 HG2 GLN 58 67.343 12.781 6.540 464 HG3 GLN 58 HG1 GLN 58 68.225 12.083 5.181 465 HE21 GLN 58 HE21 GLN 58 65.260 10.907 6.860 466 HE22 GLN 58 HE22 GLN 58 64.298 10.885 5.462 467 H ARG 59 HN ARG 59 70.635 8.705 6.079 468 HA ARG 59 HA ARG 59 70.396 7.180 8.516 469 HB2 ARG 59 HB2 ARG 59 69.131 5.711 6.923 470 HB3 ARG 59 HB1 ARG 59 70.598 5.573 5.954 471 HG2 ARG 59 HG2 ARG 59 71.787 4.521 7.775 472 HG3 ARG 59 HG1 ARG 59 70.455 4.833 8.888 473 HD2 ARG 59 HD2 ARG 59 68.998 3.336 7.637 474 HD3 ARG 59 HD1 ARG 59 70.244 3.097 6.412 475 HE ARG 59 HE ARG 59 71.477 2.315 8.767 476 HH11 ARG 59 HH21 ARG 59 68.547 1.570 7.108 477 HH12 ARG 59 HH22 ARG 59 68.480 -0.062 7.685 478 HH21 ARG 59 HH11 ARG 59 71.405 0.189 9.530 479 HH22 ARG 59 HH12 ARG 59 70.097 -0.844 9.057 480 H ARG 60 HN ARG 60 72.113 8.317 5.767 481 HA ARG 60 HA ARG 60 74.629 6.993 6.278 482 HB2 ARG 60 HB2 ARG 60 73.809 8.254 4.135 483 HB3 ARG 60 HB1 ARG 60 74.392 9.698 4.957 484 HG2 ARG 60 HG2 ARG 60 76.314 9.075 3.796 485 HG3 ARG 60 HG1 ARG 60 76.582 8.233 5.320 486 HD2 ARG 60 HD2 ARG 60 75.626 6.170 4.346 487 HD3 ARG 60 HD1 ARG 60 75.351 7.016 2.825 488 HE ARG 60 HE ARG 60 78.059 7.365 3.300 489 HH11 ARG 60 HH21 ARG 60 75.859 4.716 3.143 490 HH12 ARG 60 HH22 ARG 60 77.045 3.591 2.569 491 HH21 ARG 60 HH11 ARG 60 79.622 5.912 2.552 492 HH22 ARG 60 HH12 ARG 60 79.175 4.268 2.234 493 H ARG 61 HN ARG 61 73.029 8.827 8.345 494 HA ARG 61 HA ARG 61 75.443 9.655 9.760 495 HB2 ARG 61 HB2 ARG 61 75.086 11.539 8.150 496 HB3 ARG 61 HB1 ARG 61 73.490 11.796 8.859 497 HG2 ARG 61 HG2 ARG 61 74.513 12.203 11.055 498 HG3 ARG 61 HG1 ARG 61 76.114 11.919 10.376 499 HD2 ARG 61 HD2 ARG 61 75.097 13.858 8.668 500 HD3 ARG 61 HD1 ARG 61 74.419 14.341 10.219 501 HE ARG 61 HE ARG 61 77.065 14.829 9.426 502 HH11 ARG 61 HH21 ARG 61 75.453 13.244 12.039 503 HH12 ARG 61 HH22 ARG 61 76.791 13.402 13.122 504 HH21 ARG 61 HH11 ARG 61 78.799 15.049 10.835 505 HH22 ARG 61 HH12 ARG 61 78.678 14.426 12.446 506 H GLY 62 HN GLY 62 72.124 10.968 9.828 507 HA2 GLY 62 HA2 GLY 62 71.025 9.312 11.810 508 HA3 GLY 62 HA1 GLY 62 71.894 10.582 12.673 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 56.234 9.226 9.210 2 H2 MET 1 HT2 MET 1 57.655 9.471 8.311 3 H3 MET 1 HT3 MET 1 57.557 10.017 9.917 4 HA MET 1 HA MET 1 58.567 7.610 9.055 5 HB2 MET 1 HB2 MET 1 59.054 8.984 11.142 6 HB3 MET 1 HB1 MET 1 57.602 8.275 11.847 7 HG2 MET 1 HG2 MET 1 59.447 6.909 12.554 8 HG3 MET 1 HG1 MET 1 58.586 5.997 11.315 9 HE1 MET 1 HE1 MET 1 61.328 5.131 12.121 10 HE2 MET 1 HE2 MET 1 62.189 4.918 10.599 11 HE3 MET 1 HE3 MET 1 60.505 4.415 10.728 12 H VAL 2 HN VAL 2 55.342 8.319 10.315 13 HA VAL 2 HA VAL 2 54.543 5.648 10.902 14 HB VAL 2 HB VAL 2 52.784 7.867 9.818 15 HG11 VAL 2 HG11 VAL 2 51.076 6.702 11.242 16 HG12 VAL 2 HG12 VAL 2 52.256 5.426 11.536 17 HG13 VAL 2 HG13 VAL 2 51.659 5.716 9.902 18 HG21 VAL 2 HG21 VAL 2 52.422 8.371 12.264 19 HG22 VAL 2 HG22 VAL 2 54.046 8.747 11.690 20 HG23 VAL 2 HG23 VAL 2 53.760 7.282 12.630 21 H ARG 3 HN ARG 3 54.702 7.436 7.867 22 HA ARG 3 HA ARG 3 53.131 5.780 6.217 23 HB2 ARG 3 HB2 ARG 3 55.735 7.200 5.582 24 HB3 ARG 3 HB1 ARG 3 54.663 6.501 4.369 25 HG2 ARG 3 HG2 ARG 3 52.821 7.946 5.190 26 HG3 ARG 3 HG1 ARG 3 53.931 8.683 6.342 27 HD2 ARG 3 HD2 ARG 3 55.319 8.947 3.952 28 HD3 ARG 3 HD1 ARG 3 53.652 9.180 3.438 29 HE ARG 3 HE ARG 3 55.205 11.135 4.716 30 HH11 ARG 3 HH21 ARG 3 52.190 9.539 5.269 31 HH12 ARG 3 HH22 ARG 3 51.554 10.814 6.247 32 HH21 ARG 3 HH11 ARG 3 54.376 12.800 5.972 33 HH22 ARG 3 HH12 ARG 3 52.783 12.658 6.640 34 H GLN 4 HN GLN 4 56.140 5.100 7.788 35 HA GLN 4 HA GLN 4 57.092 3.025 6.051 36 HB2 GLN 4 HB2 GLN 4 58.356 4.173 7.960 37 HB3 GLN 4 HB1 GLN 4 57.478 3.099 9.049 38 HG2 GLN 4 HG2 GLN 4 58.353 1.140 7.821 39 HG3 GLN 4 HG1 GLN 4 59.242 2.217 6.743 40 HE21 GLN 4 HE21 GLN 4 61.342 2.725 7.393 41 HE22 GLN 4 HE22 GLN 4 61.942 2.538 8.970 42 H GLU 5 HN GLU 5 55.151 2.887 9.049 43 HA GLU 5 HA GLU 5 54.735 0.059 8.988 44 HB2 GLU 5 HB2 GLU 5 54.311 1.630 10.944 45 HB3 GLU 5 HB1 GLU 5 52.817 2.102 10.132 46 HG2 GLU 5 HG2 GLU 5 52.230 0.351 11.662 47 HG3 GLU 5 HG1 GLU 5 52.217 -0.367 10.051 48 H GLU 6 HN GLU 6 52.704 2.752 7.783 49 HA GLU 6 HA GLU 6 50.555 1.191 6.847 50 HB2 GLU 6 HB2 GLU 6 50.327 3.583 6.856 51 HB3 GLU 6 HB1 GLU 6 51.705 3.791 5.777 52 HG2 GLU 6 HG2 GLU 6 50.526 2.831 3.934 53 HG3 GLU 6 HG1 GLU 6 49.236 2.240 4.981 54 H LEU 7 HN LEU 7 53.812 1.351 5.670 55 HA LEU 7 HA LEU 7 53.187 0.449 2.969 56 HB2 LEU 7 HB2 LEU 7 55.322 1.680 3.876 57 HB3 LEU 7 HB1 LEU 7 55.857 0.068 4.328 58 HG LEU 7 HG LEU 7 56.752 0.613 2.142 59 HD11 LEU 7 HD11 LEU 7 56.119 -1.324 0.971 60 HD12 LEU 7 HD12 LEU 7 54.463 -1.257 1.566 61 HD13 LEU 7 HD13 LEU 7 55.775 -1.720 2.652 62 HD21 LEU 7 HD21 LEU 7 55.571 1.522 0.385 63 HD22 LEU 7 HD22 LEU 7 54.642 2.207 1.714 64 HD23 LEU 7 HD23 LEU 7 54.045 0.783 0.860 65 H ALA 8 HN ALA 8 54.589 -1.093 5.870 66 HA ALA 8 HA ALA 8 54.657 -3.729 4.782 67 HB1 ALA 8 HB1 ALA 8 54.358 -2.888 7.684 68 HB2 ALA 8 HB2 ALA 8 55.887 -3.088 6.826 69 HB3 ALA 8 HB3 ALA 8 54.852 -4.485 7.121 70 H ALA 9 HN ALA 9 52.027 -1.843 6.064 71 HA ALA 9 HA ALA 9 50.294 -4.093 6.670 72 HB1 ALA 9 HB1 ALA 9 48.501 -2.275 6.653 73 HB2 ALA 9 HB2 ALA 9 49.797 -1.133 6.295 74 HB3 ALA 9 HB3 ALA 9 49.817 -2.045 7.804 75 H ALA 10 HN ALA 10 50.232 -1.656 4.019 76 HA ALA 10 HA ALA 10 48.209 -2.990 2.520 77 HB1 ALA 10 HB1 ALA 10 49.403 -1.765 0.530 78 HB2 ALA 10 HB2 ALA 10 50.377 -1.031 1.804 79 HB3 ALA 10 HB3 ALA 10 48.629 -0.802 1.790 80 H ARG 11 HN ARG 11 51.645 -3.503 2.835 81 HA ARG 11 HA ARG 11 51.946 -5.240 0.550 82 HB2 ARG 11 HB2 ARG 11 53.703 -4.055 2.235 83 HB3 ARG 11 HB1 ARG 11 53.644 -5.631 3.008 84 HG2 ARG 11 HG2 ARG 11 55.310 -6.091 1.492 85 HG3 ARG 11 HG1 ARG 11 53.945 -6.441 0.438 86 HD2 ARG 11 HD2 ARG 11 54.108 -3.818 -0.047 87 HD3 ARG 11 HD1 ARG 11 55.778 -4.064 0.453 88 HE ARG 11 HE ARG 11 54.708 -4.729 -2.091 89 HH11 ARG 11 HH21 ARG 11 56.596 -6.183 0.410 90 HH12 ARG 11 HH22 ARG 11 57.198 -7.442 -0.607 91 HH21 ARG 11 HH11 ARG 11 55.509 -6.349 -3.422 92 HH22 ARG 11 HH12 ARG 11 56.595 -7.533 -2.773 93 H ALA 12 HN ALA 12 51.477 -5.848 4.091 94 HA ALA 12 HA ALA 12 51.396 -8.651 3.987 95 HB1 ALA 12 HB1 ALA 12 51.326 -7.403 6.109 96 HB2 ALA 12 HB2 ALA 12 49.975 -8.532 6.015 97 HB3 ALA 12 HB3 ALA 12 49.712 -6.815 5.709 98 H ALA 13 HN ALA 13 49.266 -6.379 2.710 99 HA ALA 13 HA ALA 13 46.933 -8.110 2.549 100 HB1 ALA 13 HB1 ALA 13 47.380 -5.739 0.741 101 HB2 ALA 13 HB2 ALA 13 47.029 -5.497 2.452 102 HB3 ALA 13 HB3 ALA 13 45.871 -6.343 1.427 103 H LEU 14 HN LEU 14 49.581 -7.163 0.320 104 HA LEU 14 HA LEU 14 48.538 -8.510 -1.937 105 HB2 LEU 14 HB2 LEU 14 51.066 -7.309 -1.285 106 HB3 LEU 14 HB1 LEU 14 51.387 -8.867 -2.018 107 HG LEU 14 HG LEU 14 49.490 -6.848 -3.252 108 HD11 LEU 14 HD11 LEU 14 51.302 -6.136 -4.685 109 HD12 LEU 14 HD12 LEU 14 52.409 -7.279 -3.923 110 HD13 LEU 14 HD13 LEU 14 51.791 -5.903 -3.010 111 HD21 LEU 14 HD21 LEU 14 51.054 -9.014 -4.649 112 HD22 LEU 14 HD22 LEU 14 49.555 -8.226 -5.148 113 HD23 LEU 14 HD23 LEU 14 49.538 -9.398 -3.834 114 H HIS 15 HN HIS 15 50.132 -9.744 0.918 115 HA HIS 15 HA HIS 15 50.498 -12.427 -0.185 116 HB2 HIS 15 HB2 HIS 15 51.906 -11.524 1.670 117 HB3 HIS 15 HB1 HIS 15 50.482 -11.523 2.711 118 HD1 HIS 15 HD1 HIS 15 50.737 -13.472 4.252 119 HD2 HIS 15 HD2 HIS 15 51.795 -14.456 0.341 120 HE1 HIS 15 HE1 HIS 15 51.246 -15.953 4.250 121 H ASP 16 HN ASP 16 48.060 -10.736 1.713 122 HA ASP 16 HA ASP 16 46.523 -13.122 2.339 123 HB2 ASP 16 HB2 ASP 16 45.482 -10.286 2.310 124 HB3 ASP 16 HB1 ASP 16 44.953 -11.631 3.319 125 H LEU 17 HN LEU 17 46.862 -11.210 -0.484 126 HA LEU 17 HA LEU 17 44.172 -11.973 -1.512 127 HB2 LEU 17 HB2 LEU 17 46.327 -10.162 -2.628 128 HB3 LEU 17 HB1 LEU 17 44.827 -10.526 -3.462 129 HG LEU 17 HG LEU 17 44.852 -9.438 -0.640 130 HD11 LEU 17 HD11 LEU 17 44.587 -7.192 -1.557 131 HD12 LEU 17 HD12 LEU 17 44.694 -7.820 -3.199 132 HD13 LEU 17 HD13 LEU 17 46.099 -7.886 -2.138 133 HD21 LEU 17 HD21 LEU 17 42.584 -8.529 -1.567 134 HD22 LEU 17 HD22 LEU 17 42.692 -10.239 -1.165 135 HD23 LEU 17 HD23 LEU 17 42.801 -9.721 -2.844 136 H MET 18 HN MET 18 47.535 -12.852 -1.818 137 HA MET 18 HA MET 18 47.010 -14.406 -4.287 138 HB2 MET 18 HB2 MET 18 49.358 -13.293 -2.939 139 HB3 MET 18 HB1 MET 18 49.624 -14.988 -3.332 140 HG2 MET 18 HG2 MET 18 50.375 -13.675 -5.212 141 HG3 MET 18 HG1 MET 18 48.877 -14.470 -5.692 142 HE1 MET 18 HE1 MET 18 50.276 -12.196 -7.078 143 HE2 MET 18 HE2 MET 18 49.127 -10.897 -7.389 144 HE3 MET 18 HE3 MET 18 48.681 -12.563 -7.748 145 H THR 19 HN THR 19 46.716 -14.841 -0.947 146 HA THR 19 HA THR 19 47.395 -17.724 -1.003 147 HB THR 19 HB THR 19 46.511 -17.534 1.436 148 HG1 THR 19 HG1 THR 19 45.561 -15.675 1.692 149 HG21 THR 19 HG21 THR 19 48.645 -16.563 2.179 150 HG22 THR 19 HG22 THR 19 48.921 -15.915 0.562 151 HG23 THR 19 HG23 THR 19 48.900 -17.659 0.822 152 H GLY 20 HN GLY 20 44.717 -15.838 -1.802 153 HA2 GLY 20 HA2 GLY 20 42.865 -17.328 -2.768 154 HA3 GLY 20 HA1 GLY 20 42.810 -18.079 -1.176 155 H LYS 21 HN LYS 21 42.935 -15.876 0.512 156 HA LYS 21 HA LYS 21 40.284 -15.003 0.635 157 HB2 LYS 21 HB2 LYS 21 42.361 -13.041 1.547 158 HB3 LYS 21 HB1 LYS 21 40.919 -13.609 2.378 159 HG2 LYS 21 HG2 LYS 21 43.485 -15.180 1.983 160 HG3 LYS 21 HG1 LYS 21 42.925 -14.460 3.488 161 HD2 LYS 21 HD2 LYS 21 40.829 -15.877 3.262 162 HD3 LYS 21 HD1 LYS 21 41.649 -16.737 1.961 163 HE2 LYS 21 HE2 LYS 21 42.776 -16.424 4.756 164 HE3 LYS 21 HE1 LYS 21 41.899 -17.849 4.196 165 HZ1 LYS 21 HZ1 LYS 21 44.120 -18.370 3.840 166 HZ2 LYS 21 HZ2 LYS 21 44.509 -16.813 3.280 167 HZ3 LYS 21 HZ3 LYS 21 43.592 -17.863 2.310 168 H ARG 22 HN ARG 22 39.193 -13.926 -0.939 169 HA ARG 22 HA ARG 22 40.618 -12.268 -2.859 170 HB2 ARG 22 HB2 ARG 22 38.572 -13.891 -3.207 171 HB3 ARG 22 HB1 ARG 22 37.618 -12.493 -2.718 172 HG2 ARG 22 HG2 ARG 22 38.763 -11.157 -4.497 173 HG3 ARG 22 HG1 ARG 22 39.576 -12.628 -5.026 174 HD2 ARG 22 HD2 ARG 22 37.273 -13.671 -5.283 175 HD3 ARG 22 HD1 ARG 22 36.605 -12.057 -5.041 176 HE ARG 22 HE ARG 22 38.455 -11.702 -7.069 177 HH11 ARG 22 HH21 ARG 22 35.794 -13.807 -6.458 178 HH12 ARG 22 HH22 ARG 22 35.375 -13.980 -8.129 179 HH21 ARG 22 HH11 ARG 22 37.924 -11.916 -9.255 180 HH22 ARG 22 HH12 ARG 22 36.581 -12.909 -9.713 181 H VAL 23 HN VAL 23 38.219 -11.757 -0.273 182 HA VAL 23 HA VAL 23 38.217 -8.834 -0.778 183 HB VAL 23 HB VAL 23 36.140 -10.037 -0.117 184 HG11 VAL 23 HG11 VAL 23 37.431 -11.630 1.429 185 HG12 VAL 23 HG12 VAL 23 35.898 -11.015 2.049 186 HG13 VAL 23 HG13 VAL 23 37.419 -10.322 2.613 187 HG21 VAL 23 HG21 VAL 23 36.495 -7.615 0.410 188 HG22 VAL 23 HG22 VAL 23 37.114 -8.082 1.994 189 HG23 VAL 23 HG23 VAL 23 35.435 -8.415 1.570 190 H ALA 24 HN ALA 24 39.368 -7.366 0.364 191 HA ALA 24 HA ALA 24 40.587 -8.093 2.972 192 HB1 ALA 24 HB1 ALA 24 42.311 -8.691 1.299 193 HB2 ALA 24 HB2 ALA 24 42.816 -7.304 2.263 194 HB3 ALA 24 HB3 ALA 24 42.213 -7.064 0.624 195 H THR 25 HN THR 25 40.848 -6.260 4.294 196 HA THR 25 HA THR 25 39.699 -3.714 3.179 197 HB THR 25 HB THR 25 40.083 -4.567 6.066 198 HG1 THR 25 HG1 THR 25 37.956 -5.117 5.998 199 HG21 THR 25 HG21 THR 25 39.990 -2.199 5.970 200 HG22 THR 25 HG22 THR 25 38.348 -2.708 6.366 201 HG23 THR 25 HG23 THR 25 38.747 -2.220 4.717 202 H VAL 26 HN VAL 26 40.810 -1.744 3.454 203 HA VAL 26 HA VAL 26 43.438 -1.750 4.794 204 HB VAL 26 HB VAL 26 44.125 -0.429 2.463 205 HG11 VAL 26 HG11 VAL 26 45.443 -2.180 3.664 206 HG12 VAL 26 HG12 VAL 26 45.459 -2.392 1.913 207 HG13 VAL 26 HG13 VAL 26 44.429 -3.415 2.916 208 HG21 VAL 26 HG21 VAL 26 42.446 -2.820 1.652 209 HG22 VAL 26 HG22 VAL 26 43.389 -1.783 0.583 210 HG23 VAL 26 HG23 VAL 26 41.977 -1.134 1.419 211 H GLN 27 HN GLN 27 43.847 0.143 5.725 212 HA GLN 27 HA GLN 27 41.799 2.233 5.610 213 HB2 GLN 27 HB2 GLN 27 43.156 1.364 7.686 214 HB3 GLN 27 HB1 GLN 27 44.401 2.475 7.119 215 HG2 GLN 27 HG2 GLN 27 41.536 3.190 7.812 216 HG3 GLN 27 HG1 GLN 27 42.973 3.608 8.744 217 HE21 GLN 27 HE21 GLN 27 44.397 5.283 7.886 218 HE22 GLN 27 HE22 GLN 27 43.905 6.299 6.618 219 H LYS 28 HN LYS 28 41.906 3.785 4.055 220 HA LYS 28 HA LYS 28 44.567 4.503 2.906 221 HB2 LYS 28 HB2 LYS 28 42.693 3.691 1.365 222 HB3 LYS 28 HB1 LYS 28 41.850 5.195 1.748 223 HG2 LYS 28 HG2 LYS 28 43.785 6.491 0.942 224 HG3 LYS 28 HG1 LYS 28 44.630 4.992 0.556 225 HD2 LYS 28 HD2 LYS 28 43.069 4.423 -1.147 226 HD3 LYS 28 HD1 LYS 28 41.912 5.635 -0.596 227 HE2 LYS 28 HE2 LYS 28 44.650 6.257 -1.744 228 HE3 LYS 28 HE1 LYS 28 43.134 6.361 -2.640 229 HZ1 LYS 28 HZ1 LYS 28 43.390 8.500 -1.899 230 HZ2 LYS 28 HZ2 LYS 28 44.106 8.036 -0.430 231 HZ3 LYS 28 HZ3 LYS 28 42.432 7.851 -0.657 232 H ASP 29 HN ASP 29 45.166 6.766 2.909 233 HA ASP 29 HA ASP 29 44.322 8.366 5.056 234 HB2 ASP 29 HB2 ASP 29 46.393 8.737 3.694 235 HB3 ASP 29 HB1 ASP 29 45.379 9.375 2.399 236 H GLY 30 HN GLY 30 41.997 8.294 5.082 237 HA2 GLY 30 HA2 GLY 30 40.463 10.366 4.443 238 HA3 GLY 30 HA1 GLY 30 40.570 9.632 2.841 239 H ARG 31 HN ARG 31 40.411 6.935 3.390 240 HA ARG 31 HA ARG 31 38.345 6.270 5.286 241 HB2 ARG 31 HB2 ARG 31 36.958 7.548 3.681 242 HB3 ARG 31 HB1 ARG 31 37.501 6.491 2.380 243 HG2 ARG 31 HG2 ARG 31 35.284 5.800 3.215 244 HG3 ARG 31 HG1 ARG 31 36.484 4.549 3.518 245 HD2 ARG 31 HD2 ARG 31 36.500 4.936 5.820 246 HD3 ARG 31 HD1 ARG 31 35.973 6.611 5.649 247 HE ARG 31 HE ARG 31 33.811 5.139 4.734 248 HH11 ARG 31 HH21 ARG 31 35.786 5.206 7.559 249 HH12 ARG 31 HH22 ARG 31 34.520 4.680 8.618 250 HH21 ARG 31 HH11 ARG 31 32.147 4.452 6.101 251 HH22 ARG 31 HH12 ARG 31 32.461 4.253 7.793 252 H ARG 32 HN ARG 32 38.003 4.075 5.397 253 HA ARG 32 HA ARG 32 40.035 2.397 4.118 254 HB2 ARG 32 HB2 ARG 32 39.468 0.812 5.728 255 HB3 ARG 32 HB1 ARG 32 38.978 2.289 6.548 256 HG2 ARG 32 HG2 ARG 32 36.651 1.902 5.534 257 HG3 ARG 32 HG1 ARG 32 37.217 0.280 5.132 258 HD2 ARG 32 HD2 ARG 32 37.851 0.005 7.570 259 HD3 ARG 32 HD1 ARG 32 37.004 1.520 7.885 260 HE ARG 32 HE ARG 32 35.137 -0.005 6.520 261 HH11 ARG 32 HH21 ARG 32 37.155 -0.407 9.288 262 HH12 ARG 32 HH22 ARG 32 36.050 -1.461 10.105 263 HH21 ARG 32 HH11 ARG 32 33.684 -1.379 7.571 264 HH22 ARG 32 HH12 ARG 32 34.084 -2.011 9.134 265 H VAL 33 HN VAL 33 39.631 0.768 2.565 266 HA VAL 33 HA VAL 33 36.843 0.461 1.554 267 HB VAL 33 HB VAL 33 39.184 1.318 -0.182 268 HG11 VAL 33 HG11 VAL 33 36.397 0.338 -0.862 269 HG12 VAL 33 HG12 VAL 33 37.933 -0.342 -1.399 270 HG13 VAL 33 HG13 VAL 33 37.405 1.229 -1.998 271 HG21 VAL 33 HG21 VAL 33 38.225 3.273 0.788 272 HG22 VAL 33 HG22 VAL 33 36.591 2.620 0.685 273 HG23 VAL 33 HG23 VAL 33 37.428 3.134 -0.778 274 H GLU 34 HN GLU 34 36.486 -1.483 0.526 275 HA GLU 34 HA GLU 34 38.611 -3.539 0.950 276 HB2 GLU 34 HB2 GLU 34 35.616 -3.512 1.025 277 HB3 GLU 34 HB1 GLU 34 36.381 -5.014 0.512 278 HG2 GLU 34 HG2 GLU 34 37.581 -5.215 2.569 279 HG3 GLU 34 HG1 GLU 34 37.195 -3.559 3.038 280 H PHE 35 HN PHE 35 39.811 -3.699 -0.956 281 HA PHE 35 HA PHE 35 38.367 -3.729 -3.565 282 HB2 PHE 35 HB2 PHE 35 41.288 -3.645 -2.775 283 HB3 PHE 35 HB1 PHE 35 40.802 -4.006 -4.426 284 HD1 PHE 35 HD1 PHE 35 38.868 -2.294 -5.335 285 HD2 PHE 35 HD2 PHE 35 41.817 -1.423 -2.344 286 HE1 PHE 35 HE1 PHE 35 38.655 0.129 -5.821 287 HE2 PHE 35 HE2 PHE 35 41.606 0.990 -2.810 288 HZ PHE 35 HZ PHE 35 40.024 1.774 -4.562 289 H THR 36 HN THR 36 38.251 -5.637 -4.818 290 HA THR 36 HA THR 36 39.013 -8.157 -3.396 291 HB THR 36 HB THR 36 37.480 -9.269 -4.968 292 HG1 THR 36 HG1 THR 36 36.231 -7.395 -6.163 293 HG21 THR 36 HG21 THR 36 36.666 -7.955 -2.870 294 HG22 THR 36 HG22 THR 36 35.471 -8.489 -4.051 295 HG23 THR 36 HG23 THR 36 36.011 -6.813 -4.043 296 H ALA 37 HN ALA 37 39.983 -9.930 -4.908 297 HA ALA 37 HA ALA 37 42.342 -9.002 -6.145 298 HB1 ALA 37 HB1 ALA 37 42.143 -11.347 -5.628 299 HB2 ALA 37 HB2 ALA 37 42.350 -11.211 -7.371 300 HB3 ALA 37 HB3 ALA 37 40.752 -11.518 -6.699 301 H THR 38 HN THR 38 39.165 -8.675 -7.297 302 HA THR 38 HA THR 38 39.501 -8.899 -10.105 303 HB THR 38 HB THR 38 37.577 -7.317 -10.261 304 HG1 THR 38 HG1 THR 38 37.070 -6.113 -8.617 305 HG21 THR 38 HG21 THR 38 37.433 -9.841 -9.536 306 HG22 THR 38 HG22 THR 38 36.009 -8.813 -9.383 307 HG23 THR 38 HG23 THR 38 36.991 -9.169 -7.965 308 H SER 39 HN SER 39 40.468 -6.366 -7.877 309 HA SER 39 HA SER 39 41.696 -4.879 -10.184 310 HB2 SER 39 HB2 SER 39 41.047 -2.799 -9.280 311 HB3 SER 39 HB1 SER 39 39.608 -3.795 -9.099 312 HG SER 39 HG SER 39 40.061 -2.743 -7.158 313 H VAL 40 HN VAL 40 43.265 -6.695 -8.999 314 HA VAL 40 HA VAL 40 44.620 -5.639 -6.641 315 HB VAL 40 HB VAL 40 44.619 -8.032 -6.925 316 HG11 VAL 40 HG11 VAL 40 46.116 -7.601 -9.547 317 HG12 VAL 40 HG12 VAL 40 44.401 -8.001 -9.447 318 HG13 VAL 40 HG13 VAL 40 45.611 -9.146 -8.868 319 HG21 VAL 40 HG21 VAL 40 46.732 -6.825 -6.077 320 HG22 VAL 40 HG22 VAL 40 47.420 -7.134 -7.670 321 HG23 VAL 40 HG23 VAL 40 46.961 -8.485 -6.636 322 H SER 41 HN SER 41 44.759 -4.852 -9.955 323 HA SER 41 HA SER 41 47.579 -4.213 -10.105 324 HB2 SER 41 HB2 SER 41 46.931 -2.954 -12.143 325 HB3 SER 41 HB1 SER 41 46.288 -4.593 -12.138 326 HG SER 41 HG SER 41 44.304 -3.772 -11.499 327 H ASP 42 HN ASP 42 44.640 -2.306 -9.412 328 HA ASP 42 HA ASP 42 45.877 0.240 -9.260 329 HB2 ASP 42 HB2 ASP 42 44.027 0.770 -7.594 330 HB3 ASP 42 HB1 ASP 42 43.486 0.134 -9.147 331 H LEU 43 HN LEU 43 45.834 -2.452 -6.903 332 HA LEU 43 HA LEU 43 46.894 -0.903 -4.726 333 HB2 LEU 43 HB2 LEU 43 45.803 -3.262 -4.685 334 HB3 LEU 43 HB1 LEU 43 47.396 -3.855 -5.137 335 HG LEU 43 HG LEU 43 48.371 -2.837 -3.100 336 HD11 LEU 43 HD11 LEU 43 46.406 -2.178 -1.365 337 HD12 LEU 43 HD12 LEU 43 45.597 -1.704 -2.858 338 HD13 LEU 43 HD13 LEU 43 47.146 -0.984 -2.424 339 HD21 LEU 43 HD21 LEU 43 47.299 -5.153 -3.163 340 HD22 LEU 43 HD22 LEU 43 45.904 -4.431 -2.364 341 HD23 LEU 43 HD23 LEU 43 47.474 -4.434 -1.563 342 H LYS 44 HN LYS 44 48.330 -2.711 -7.405 343 HA LYS 44 HA LYS 44 51.059 -2.512 -6.516 344 HB2 LYS 44 HB2 LYS 44 49.691 -3.021 -9.141 345 HB3 LYS 44 HB1 LYS 44 51.401 -2.599 -9.180 346 HG2 LYS 44 HG2 LYS 44 51.991 -4.480 -7.822 347 HG3 LYS 44 HG1 LYS 44 50.305 -4.806 -7.424 348 HD2 LYS 44 HD2 LYS 44 49.815 -5.474 -9.680 349 HD3 LYS 44 HD1 LYS 44 51.376 -4.889 -10.254 350 HE2 LYS 44 HE2 LYS 44 52.525 -6.586 -8.902 351 HE3 LYS 44 HE1 LYS 44 50.973 -7.156 -8.287 352 HZ1 LYS 44 HZ1 LYS 44 51.915 -8.443 -10.199 353 HZ2 LYS 44 HZ2 LYS 44 51.636 -7.079 -11.174 354 HZ3 LYS 44 HZ3 LYS 44 50.334 -7.874 -10.425 355 H LYS 45 HN LYS 45 49.105 -0.449 -8.685 356 HA LYS 45 HA LYS 45 51.154 1.462 -9.215 357 HB2 LYS 45 HB2 LYS 45 48.888 1.134 -10.381 358 HB3 LYS 45 HB1 LYS 45 48.206 2.092 -9.068 359 HG2 LYS 45 HG2 LYS 45 49.686 3.959 -9.606 360 HG3 LYS 45 HG1 LYS 45 50.484 3.002 -10.850 361 HD2 LYS 45 HD2 LYS 45 48.924 4.348 -12.034 362 HD3 LYS 45 HD1 LYS 45 48.176 2.756 -11.939 363 HE2 LYS 45 HE2 LYS 45 46.687 3.443 -10.210 364 HE3 LYS 45 HE1 LYS 45 47.607 4.912 -9.891 365 HZ1 LYS 45 HZ1 LYS 45 46.982 5.774 -12.020 366 HZ2 LYS 45 HZ2 LYS 45 45.576 5.299 -11.194 367 HZ3 LYS 45 HZ3 LYS 45 46.203 4.328 -12.438 368 H TYR 46 HN TYR 46 48.657 1.334 -6.685 369 HA TYR 46 HA TYR 46 49.153 3.890 -5.538 370 HB2 TYR 46 HB2 TYR 46 47.201 2.578 -4.922 371 HB3 TYR 46 HB1 TYR 46 48.225 1.303 -4.273 372 HD1 TYR 46 HD1 TYR 46 47.902 5.034 -3.923 373 HD2 TYR 46 HD2 TYR 46 48.398 1.250 -1.943 374 HE1 TYR 46 HE1 TYR 46 47.908 6.181 -1.725 375 HE2 TYR 46 HE2 TYR 46 48.404 2.398 0.252 376 HH TYR 46 HH TYR 46 47.410 4.685 1.132 377 H ILE 47 HN ILE 47 50.488 0.697 -4.603 378 HA ILE 47 HA ILE 47 52.228 1.570 -2.565 379 HB ILE 47 HB ILE 47 52.701 -0.590 -4.640 380 HG12 ILE 47 HG12 ILE 47 51.769 -1.014 -1.795 381 HG13 ILE 47 HG11 ILE 47 50.607 -0.653 -3.069 382 HG21 ILE 47 HG21 ILE 47 54.162 -1.531 -2.764 383 HG22 ILE 47 HG22 ILE 47 54.059 0.065 -2.020 384 HG23 ILE 47 HG23 ILE 47 54.798 -0.121 -3.611 385 HD11 ILE 47 HD11 ILE 47 51.253 -3.167 -2.520 386 HD12 ILE 47 HD12 ILE 47 52.632 -2.815 -3.564 387 HD13 ILE 47 HD13 ILE 47 50.993 -2.652 -4.185 388 H ALA 48 HN ALA 48 52.795 1.374 -6.071 389 HA ALA 48 HA ALA 48 55.485 2.201 -6.100 390 HB1 ALA 48 HB1 ALA 48 54.304 1.349 -8.087 391 HB2 ALA 48 HB2 ALA 48 55.067 2.903 -8.426 392 HB3 ALA 48 HB3 ALA 48 53.329 2.817 -8.138 393 H GLU 49 HN GLU 49 52.527 4.190 -6.099 394 HA GLU 49 HA GLU 49 53.778 6.708 -6.481 395 HB2 GLU 49 HB2 GLU 49 51.181 5.746 -5.390 396 HB3 GLU 49 HB1 GLU 49 51.659 7.354 -4.852 397 HG2 GLU 49 HG2 GLU 49 50.314 7.511 -6.897 398 HG3 GLU 49 HG1 GLU 49 51.966 8.039 -7.217 399 H LEU 50 HN LEU 50 53.453 4.743 -3.552 400 HA LEU 50 HA LEU 50 54.370 6.869 -1.791 401 HB2 LEU 50 HB2 LEU 50 54.469 3.883 -1.294 402 HB3 LEU 50 HB1 LEU 50 54.531 5.159 -0.083 403 HG LEU 50 HG LEU 50 52.186 4.520 -1.898 404 HD11 LEU 50 HD11 LEU 50 51.112 4.133 0.405 405 HD12 LEU 50 HD12 LEU 50 52.753 4.127 1.047 406 HD13 LEU 50 HD13 LEU 50 52.266 2.917 -0.140 407 HD21 LEU 50 HD21 LEU 50 52.746 6.795 0.009 408 HD22 LEU 50 HD22 LEU 50 51.090 6.255 -0.265 409 HD23 LEU 50 HD23 LEU 50 52.053 6.855 -1.611 410 H GLU 51 HN GLU 51 55.957 4.341 -3.673 411 HA GLU 51 HA GLU 51 58.502 4.479 -2.368 412 HB2 GLU 51 HB2 GLU 51 57.661 3.700 -5.163 413 HB3 GLU 51 HB1 GLU 51 59.355 3.693 -4.677 414 HG2 GLU 51 HG2 GLU 51 58.969 2.061 -2.981 415 HG3 GLU 51 HG1 GLU 51 57.219 2.250 -3.094 416 H VAL 52 HN VAL 52 56.984 6.489 -4.838 417 HA VAL 52 HA VAL 52 59.459 7.977 -5.363 418 HB VAL 52 HB VAL 52 56.617 8.718 -6.124 419 HG11 VAL 52 HG11 VAL 52 59.362 9.528 -7.121 420 HG12 VAL 52 HG12 VAL 52 58.123 10.572 -6.423 421 HG13 VAL 52 HG13 VAL 52 57.879 9.856 -8.016 422 HG21 VAL 52 HG21 VAL 52 57.016 6.518 -7.020 423 HG22 VAL 52 HG22 VAL 52 58.660 6.947 -7.494 424 HG23 VAL 52 HG23 VAL 52 57.285 7.656 -8.340 425 H GLN 53 HN GLN 53 56.588 8.322 -3.327 426 HA GLN 53 HA GLN 53 57.249 11.074 -2.579 427 HB2 GLN 53 HB2 GLN 53 55.245 9.061 -1.527 428 HB3 GLN 53 HB1 GLN 53 55.443 10.669 -0.830 429 HG2 GLN 53 HG2 GLN 53 54.941 11.695 -3.003 430 HG3 GLN 53 HG1 GLN 53 54.784 10.098 -3.734 431 HE21 GLN 53 HE21 GLN 53 53.587 11.162 -0.520 432 HE22 GLN 53 HE22 GLN 53 51.950 10.867 -0.861 433 H THR 54 HN THR 54 57.682 7.834 -1.222 434 HA THR 54 HA THR 54 59.062 8.985 1.155 435 HB THR 54 HB THR 54 58.617 6.041 0.639 436 HG1 THR 54 HG1 THR 54 56.687 7.108 2.137 437 HG21 THR 54 HG21 THR 54 58.719 7.768 3.129 438 HG22 THR 54 HG22 THR 54 59.972 6.657 2.579 439 HG23 THR 54 HG23 THR 54 58.415 6.031 3.120 440 H GLY 55 HN GLY 55 60.050 8.718 -1.785 441 HA2 GLY 55 HA2 GLY 55 62.244 6.836 -1.695 442 HA3 GLY 55 HA1 GLY 55 62.054 8.136 -2.873 443 H MET 56 HN MET 56 63.597 9.659 -2.767 444 HA MET 56 HA MET 56 65.330 10.999 -1.978 445 HB2 MET 56 HB2 MET 56 63.453 10.853 0.372 446 HB3 MET 56 HB1 MET 56 64.968 11.744 0.493 447 HG2 MET 56 HG2 MET 56 63.107 13.220 -0.198 448 HG3 MET 56 HG1 MET 56 64.331 13.100 -1.463 449 HE1 MET 56 HE1 MET 56 60.873 13.678 -1.262 450 HE2 MET 56 HE2 MET 56 60.620 13.373 -2.978 451 HE3 MET 56 HE3 MET 56 62.026 14.295 -2.453 452 H THR 57 HN THR 57 67.382 10.716 -1.140 453 HA THR 57 HA THR 57 67.948 8.064 0.042 454 HB THR 57 HB THR 57 70.354 8.842 -0.253 455 HG1 THR 57 HG1 THR 57 69.615 10.767 -2.022 456 HG21 THR 57 HG21 THR 57 68.625 8.951 -2.738 457 HG22 THR 57 HG22 THR 57 69.093 7.461 -1.921 458 HG23 THR 57 HG23 THR 57 70.324 8.488 -2.654 459 H GLN 58 HN GLN 58 69.894 10.868 0.811 460 HA GLN 58 HA GLN 58 69.503 10.319 3.696 461 HB2 GLN 58 HB2 GLN 58 71.400 12.132 2.173 462 HB3 GLN 58 HB1 GLN 58 71.350 12.034 3.933 463 HG2 GLN 58 HG2 GLN 58 71.748 9.611 2.163 464 HG3 GLN 58 HG1 GLN 58 73.085 10.549 2.831 465 HE21 GLN 58 HE21 GLN 58 73.126 10.736 5.288 466 HE22 GLN 58 HE22 GLN 58 72.498 9.451 6.202 467 H ARG 59 HN ARG 59 70.080 13.077 4.501 468 HA ARG 59 HA ARG 59 67.698 14.577 3.544 469 HB2 ARG 59 HB2 ARG 59 66.841 14.881 5.792 470 HB3 ARG 59 HB1 ARG 59 67.020 13.148 5.498 471 HG2 ARG 59 HG2 ARG 59 69.326 13.340 6.569 472 HG3 ARG 59 HG1 ARG 59 68.849 14.950 7.101 473 HD2 ARG 59 HD2 ARG 59 66.676 13.446 7.904 474 HD3 ARG 59 HD1 ARG 59 67.996 12.304 8.135 475 HE ARG 59 HE ARG 59 67.391 14.413 9.888 476 HH11 ARG 59 HH21 ARG 59 70.117 13.305 8.077 477 HH12 ARG 59 HH22 ARG 59 71.269 14.111 9.082 478 HH21 ARG 59 HH11 ARG 59 68.887 15.448 11.207 479 HH22 ARG 59 HH12 ARG 59 70.577 15.315 10.853 480 H ARG 60 HN ARG 60 67.713 16.738 5.076 481 HA ARG 60 HA ARG 60 70.417 17.654 5.716 482 HB2 ARG 60 HB2 ARG 60 70.116 17.817 3.150 483 HB3 ARG 60 HB1 ARG 60 68.984 19.124 3.497 484 HG2 ARG 60 HG2 ARG 60 70.739 20.329 4.736 485 HG3 ARG 60 HG1 ARG 60 71.873 19.016 4.419 486 HD2 ARG 60 HD2 ARG 60 71.587 19.394 1.977 487 HD3 ARG 60 HD1 ARG 60 70.528 20.759 2.334 488 HE ARG 60 HE ARG 60 72.848 21.341 3.732 489 HH11 ARG 60 HH21 ARG 60 72.021 20.492 0.494 490 HH12 ARG 60 HH22 ARG 60 73.322 21.389 -0.215 491 HH21 ARG 60 HH11 ARG 60 74.550 22.519 2.824 492 HH22 ARG 60 HH12 ARG 60 74.754 22.537 1.105 493 H ARG 61 HN ARG 61 68.140 17.467 7.315 494 HA ARG 61 HA ARG 61 66.709 18.739 8.682 495 HB2 ARG 61 HB2 ARG 61 68.776 20.882 8.107 496 HB3 ARG 61 HB1 ARG 61 67.686 20.819 9.493 497 HG2 ARG 61 HG2 ARG 61 68.736 18.742 10.259 498 HG3 ARG 61 HG1 ARG 61 69.791 18.734 8.846 499 HD2 ARG 61 HD2 ARG 61 70.701 20.950 9.579 500 HD3 ARG 61 HD1 ARG 61 69.739 20.813 11.051 501 HE ARG 61 HE ARG 61 71.189 18.454 10.989 502 HH11 ARG 61 HH21 ARG 61 71.884 21.823 10.777 503 HH12 ARG 61 HH22 ARG 61 73.446 21.684 11.513 504 HH21 ARG 61 HH11 ARG 61 73.225 18.251 11.950 505 HH22 ARG 61 HH12 ARG 61 74.205 19.661 12.176 506 H GLY 62 HN GLY 62 65.551 18.608 6.280 507 HA2 GLY 62 HA2 GLY 62 65.202 21.020 4.817 508 HA3 GLY 62 HA1 GLY 62 64.024 19.708 4.878 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 57.688 9.783 9.861 2 H2 MET 1 HT2 MET 1 56.242 9.354 10.642 3 H3 MET 1 HT3 MET 1 56.261 9.604 8.962 4 HA MET 1 HA MET 1 57.698 7.689 8.661 5 HB2 MET 1 HB2 MET 1 57.374 7.473 11.669 6 HB3 MET 1 HB1 MET 1 58.067 6.213 10.648 7 HG2 MET 1 HG2 MET 1 59.789 7.840 9.869 8 HG3 MET 1 HG1 MET 1 59.130 9.032 10.988 9 HE1 MET 1 HE1 MET 1 60.220 5.260 10.843 10 HE2 MET 1 HE2 MET 1 61.683 5.363 11.821 11 HE3 MET 1 HE3 MET 1 61.544 6.325 10.352 12 H VAL 2 HN VAL 2 54.710 8.620 9.806 13 HA VAL 2 HA VAL 2 53.326 6.196 10.267 14 HB VAL 2 HB VAL 2 52.258 8.639 8.819 15 HG11 VAL 2 HG11 VAL 2 50.122 7.872 9.948 16 HG12 VAL 2 HG12 VAL 2 50.965 6.383 10.375 17 HG13 VAL 2 HG13 VAL 2 50.711 6.798 8.679 18 HG21 VAL 2 HG21 VAL 2 51.538 9.319 11.138 19 HG22 VAL 2 HG22 VAL 2 53.286 9.345 10.899 20 HG23 VAL 2 HG23 VAL 2 52.535 8.011 11.774 21 H ARG 3 HN ARG 3 54.029 7.868 7.197 22 HA ARG 3 HA ARG 3 52.592 6.178 5.456 23 HB2 ARG 3 HB2 ARG 3 55.275 7.523 5.008 24 HB3 ARG 3 HB1 ARG 3 54.265 6.841 3.733 25 HG2 ARG 3 HG2 ARG 3 52.457 8.388 4.289 26 HG3 ARG 3 HG1 ARG 3 53.392 9.032 5.639 27 HD2 ARG 3 HD2 ARG 3 55.115 9.841 4.096 28 HD3 ARG 3 HD1 ARG 3 54.244 9.142 2.731 29 HE ARG 3 HE ARG 3 52.383 10.823 3.906 30 HH11 ARG 3 HH21 ARG 3 55.624 11.090 2.760 31 HH12 ARG 3 HH22 ARG 3 55.466 12.754 2.303 32 HH21 ARG 3 HH11 ARG 3 52.158 12.993 3.315 33 HH22 ARG 3 HH12 ARG 3 53.504 13.831 2.617 34 H GLN 4 HN GLN 4 55.781 5.732 6.937 35 HA GLN 4 HA GLN 4 56.573 3.424 5.470 36 HB2 GLN 4 HB2 GLN 4 58.026 4.757 7.046 37 HB3 GLN 4 HB1 GLN 4 57.175 3.985 8.386 38 HG2 GLN 4 HG2 GLN 4 57.871 1.772 7.582 39 HG3 GLN 4 HG1 GLN 4 58.684 2.515 6.204 40 HE21 GLN 4 HE21 GLN 4 59.349 4.809 8.306 41 HE22 GLN 4 HE22 GLN 4 60.739 4.201 9.069 42 H GLU 5 HN GLU 5 54.696 3.741 8.481 43 HA GLU 5 HA GLU 5 54.372 0.897 8.855 44 HB2 GLU 5 HB2 GLU 5 54.085 2.690 10.631 45 HB3 GLU 5 HB1 GLU 5 52.537 3.077 9.878 46 HG2 GLU 5 HG2 GLU 5 52.058 1.530 11.646 47 HG3 GLU 5 HG1 GLU 5 51.930 0.621 10.139 48 H GLU 6 HN GLU 6 52.196 3.419 7.528 49 HA GLU 6 HA GLU 6 50.035 1.704 6.935 50 HB2 GLU 6 HB2 GLU 6 49.922 4.188 6.812 51 HB3 GLU 6 HB1 GLU 6 50.891 4.148 5.341 52 HG2 GLU 6 HG2 GLU 6 49.194 2.816 4.211 53 HG3 GLU 6 HG1 GLU 6 48.245 2.723 5.694 54 H LEU 7 HN LEU 7 53.161 1.884 5.440 55 HA LEU 7 HA LEU 7 52.299 0.742 2.894 56 HB2 LEU 7 HB2 LEU 7 54.459 2.142 3.474 57 HB3 LEU 7 HB1 LEU 7 55.128 0.580 3.933 58 HG LEU 7 HG LEU 7 53.873 1.178 1.233 59 HD11 LEU 7 HD11 LEU 7 55.980 2.455 1.681 60 HD12 LEU 7 HD12 LEU 7 56.140 1.288 0.368 61 HD13 LEU 7 HD13 LEU 7 56.804 0.921 1.961 62 HD21 LEU 7 HD21 LEU 7 55.278 -0.968 0.712 63 HD22 LEU 7 HD22 LEU 7 53.740 -1.156 1.547 64 HD23 LEU 7 HD23 LEU 7 55.247 -1.219 2.457 65 H ALA 8 HN ALA 8 54.034 -0.486 5.768 66 HA ALA 8 HA ALA 8 54.277 -3.176 4.957 67 HB1 ALA 8 HB1 ALA 8 54.354 -3.719 7.378 68 HB2 ALA 8 HB2 ALA 8 53.774 -2.096 7.749 69 HB3 ALA 8 HB3 ALA 8 55.352 -2.318 6.991 70 H ALA 9 HN ALA 9 51.472 -1.398 5.983 71 HA ALA 9 HA ALA 9 49.846 -3.722 6.621 72 HB1 ALA 9 HB1 ALA 9 49.187 -0.815 6.101 73 HB2 ALA 9 HB2 ALA 9 49.220 -1.650 7.653 74 HB3 ALA 9 HB3 ALA 9 47.958 -2.021 6.479 75 H ALA 10 HN ALA 10 49.808 -1.388 3.884 76 HA ALA 10 HA ALA 10 47.920 -2.840 2.329 77 HB1 ALA 10 HB1 ALA 10 50.075 -0.850 1.665 78 HB2 ALA 10 HB2 ALA 10 48.328 -0.684 1.509 79 HB3 ALA 10 HB3 ALA 10 49.225 -1.676 0.358 80 H ARG 11 HN ARG 11 51.338 -3.243 2.871 81 HA ARG 11 HA ARG 11 51.852 -5.077 0.709 82 HB2 ARG 11 HB2 ARG 11 53.467 -3.782 2.387 83 HB3 ARG 11 HB1 ARG 11 53.294 -5.236 3.364 84 HG2 ARG 11 HG2 ARG 11 55.113 -5.882 2.086 85 HG3 ARG 11 HG1 ARG 11 53.825 -6.430 1.013 86 HD2 ARG 11 HD2 ARG 11 53.937 -4.237 -0.166 87 HD3 ARG 11 HD1 ARG 11 55.305 -3.792 0.853 88 HE ARG 11 HE ARG 11 56.074 -6.210 -0.261 89 HH11 ARG 11 HH21 ARG 11 54.893 -3.188 -1.428 90 HH12 ARG 11 HH22 ARG 11 55.751 -3.282 -2.930 91 HH21 ARG 11 HH11 ARG 11 57.200 -6.349 -2.216 92 HH22 ARG 11 HH12 ARG 11 57.057 -5.071 -3.376 93 H ALA 12 HN ALA 12 51.104 -5.542 4.223 94 HA ALA 12 HA ALA 12 51.065 -8.353 4.229 95 HB1 ALA 12 HB1 ALA 12 50.824 -7.003 6.283 96 HB2 ALA 12 HB2 ALA 12 49.514 -8.177 6.147 97 HB3 ALA 12 HB3 ALA 12 49.226 -6.484 5.746 98 H ALA 13 HN ALA 13 49.025 -6.165 2.693 99 HA ALA 13 HA ALA 13 46.725 -7.931 2.441 100 HB1 ALA 13 HB1 ALA 13 47.235 -5.618 0.581 101 HB2 ALA 13 HB2 ALA 13 46.818 -5.311 2.266 102 HB3 ALA 13 HB3 ALA 13 45.705 -6.208 1.233 103 H LEU 14 HN LEU 14 49.534 -7.055 0.393 104 HA LEU 14 HA LEU 14 48.646 -8.463 -1.901 105 HB2 LEU 14 HB2 LEU 14 51.121 -7.228 -1.111 106 HB3 LEU 14 HB1 LEU 14 51.491 -8.798 -1.796 107 HG LEU 14 HG LEU 14 49.669 -6.803 -3.177 108 HD11 LEU 14 HD11 LEU 14 51.962 -5.863 -2.814 109 HD12 LEU 14 HD12 LEU 14 51.562 -6.110 -4.510 110 HD13 LEU 14 HD13 LEU 14 52.621 -7.250 -3.680 111 HD21 LEU 14 HD21 LEU 14 49.818 -8.222 -5.030 112 HD22 LEU 14 HD22 LEU 14 49.771 -9.377 -3.702 113 HD23 LEU 14 HD23 LEU 14 51.308 -8.978 -4.464 114 H HIS 15 HN HIS 15 50.081 -9.600 1.081 115 HA HIS 15 HA HIS 15 50.525 -12.307 0.082 116 HB2 HIS 15 HB2 HIS 15 51.800 -11.386 2.005 117 HB3 HIS 15 HB1 HIS 15 50.304 -11.293 2.935 118 HD1 HIS 15 HD1 HIS 15 52.528 -13.862 1.233 119 HD2 HIS 15 HD2 HIS 15 49.557 -13.686 4.153 120 HE1 HIS 15 HE1 HIS 15 52.400 -16.172 2.264 121 H ASP 16 HN ASP 16 47.939 -10.561 1.698 122 HA ASP 16 HA ASP 16 46.358 -12.931 2.281 123 HB2 ASP 16 HB2 ASP 16 45.339 -10.101 2.088 124 HB3 ASP 16 HB1 ASP 16 44.702 -11.419 3.068 125 H LEU 17 HN LEU 17 46.703 -10.807 -0.484 126 HA LEU 17 HA LEU 17 44.154 -11.656 -1.667 127 HB2 LEU 17 HB2 LEU 17 46.451 -10.061 -2.842 128 HB3 LEU 17 HB1 LEU 17 44.909 -10.333 -3.636 129 HG LEU 17 HG LEU 17 45.076 -9.101 -0.877 130 HD11 LEU 17 HD11 LEU 17 46.348 -7.559 -2.134 131 HD12 LEU 17 HD12 LEU 17 44.717 -6.901 -2.206 132 HD13 LEU 17 HD13 LEU 17 45.372 -7.790 -3.580 133 HD21 LEU 17 HD21 LEU 17 42.979 -9.275 -3.051 134 HD22 LEU 17 HD22 LEU 17 42.885 -8.061 -1.782 135 HD23 LEU 17 HD23 LEU 17 42.855 -9.770 -1.366 136 H MET 18 HN MET 18 47.488 -12.732 -1.786 137 HA MET 18 HA MET 18 46.946 -14.395 -4.187 138 HB2 MET 18 HB2 MET 18 49.383 -13.573 -2.650 139 HB3 MET 18 HB1 MET 18 49.457 -15.111 -3.506 140 HG2 MET 18 HG2 MET 18 49.180 -14.107 -5.606 141 HG3 MET 18 HG1 MET 18 48.442 -12.656 -4.930 142 HE1 MET 18 HE1 MET 18 51.105 -13.194 -7.053 143 HE2 MET 18 HE2 MET 18 51.810 -11.618 -6.706 144 HE3 MET 18 HE3 MET 18 50.063 -11.777 -6.864 145 H THR 19 HN THR 19 46.520 -14.698 -0.851 146 HA THR 19 HA THR 19 47.166 -17.587 -0.766 147 HB THR 19 HB THR 19 46.058 -17.247 1.614 148 HG1 THR 19 HG1 THR 19 46.613 -14.610 0.730 149 HG21 THR 19 HG21 THR 19 48.673 -15.901 0.873 150 HG22 THR 19 HG22 THR 19 48.468 -17.623 1.186 151 HG23 THR 19 HG23 THR 19 48.212 -16.457 2.482 152 H GLY 20 HN GLY 20 44.997 -16.527 -2.549 153 HA2 GLY 20 HA2 GLY 20 43.010 -17.609 -3.290 154 HA3 GLY 20 HA1 GLY 20 42.961 -18.507 -1.772 155 H LYS 21 HN LYS 21 43.226 -16.146 -0.090 156 HA LYS 21 HA LYS 21 40.433 -15.410 0.056 157 HB2 LYS 21 HB2 LYS 21 41.584 -15.449 2.128 158 HB3 LYS 21 HB1 LYS 21 42.932 -14.506 1.500 159 HG2 LYS 21 HG2 LYS 21 41.751 -12.490 1.605 160 HG3 LYS 21 HG1 LYS 21 40.179 -13.286 1.551 161 HD2 LYS 21 HD2 LYS 21 40.783 -12.334 3.810 162 HD3 LYS 21 HD1 LYS 21 40.408 -14.055 3.826 163 HE2 LYS 21 HE2 LYS 21 43.269 -13.222 3.443 164 HE3 LYS 21 HE1 LYS 21 42.574 -13.143 5.060 165 HZ1 LYS 21 HZ1 LYS 21 43.398 -15.416 3.576 166 HZ2 LYS 21 HZ2 LYS 21 41.765 -15.560 4.022 167 HZ3 LYS 21 HZ3 LYS 21 42.954 -15.304 5.209 168 H ARG 22 HN ARG 22 39.596 -14.086 -1.525 169 HA ARG 22 HA ARG 22 41.341 -12.112 -2.837 170 HB2 ARG 22 HB2 ARG 22 39.328 -11.730 -4.296 171 HB3 ARG 22 HB1 ARG 22 39.937 -13.383 -4.299 172 HG2 ARG 22 HG2 ARG 22 38.183 -14.142 -2.875 173 HG3 ARG 22 HG1 ARG 22 37.707 -12.496 -2.460 174 HD2 ARG 22 HD2 ARG 22 36.977 -12.092 -4.765 175 HD3 ARG 22 HD1 ARG 22 37.510 -13.705 -5.236 176 HE ARG 22 HE ARG 22 35.729 -14.169 -3.159 177 HH11 ARG 22 HH21 ARG 22 35.716 -12.451 -6.149 178 HH12 ARG 22 HH22 ARG 22 34.023 -12.682 -6.427 179 HH21 ARG 22 HH11 ARG 22 33.516 -14.479 -3.505 180 HH22 ARG 22 HH12 ARG 22 32.777 -13.830 -4.929 181 H VAL 23 HN VAL 23 38.544 -12.054 -0.641 182 HA VAL 23 HA VAL 23 38.196 -9.156 -0.935 183 HB VAL 23 HB VAL 23 36.373 -10.767 -0.260 184 HG11 VAL 23 HG11 VAL 23 37.914 -12.020 1.354 185 HG12 VAL 23 HG12 VAL 23 36.305 -11.638 1.972 186 HG13 VAL 23 HG13 VAL 23 37.693 -10.668 2.465 187 HG21 VAL 23 HG21 VAL 23 35.425 -9.234 1.459 188 HG22 VAL 23 HG22 VAL 23 36.144 -8.350 0.111 189 HG23 VAL 23 HG23 VAL 23 37.012 -8.486 1.641 190 H ALA 24 HN ALA 24 39.153 -7.560 0.239 191 HA ALA 24 HA ALA 24 40.506 -8.169 2.797 192 HB1 ALA 24 HB1 ALA 24 42.202 -8.604 0.997 193 HB2 ALA 24 HB2 ALA 24 42.660 -7.301 2.093 194 HB3 ALA 24 HB3 ALA 24 42.028 -6.925 0.491 195 H THR 25 HN THR 25 40.926 -6.258 4.029 196 HA THR 25 HA THR 25 39.548 -3.781 2.995 197 HB THR 25 HB THR 25 39.915 -4.635 5.883 198 HG1 THR 25 HG1 THR 25 37.470 -4.656 4.518 199 HG21 THR 25 HG21 THR 25 38.336 -2.458 4.503 200 HG22 THR 25 HG22 THR 25 39.636 -2.264 5.678 201 HG23 THR 25 HG23 THR 25 38.081 -2.923 6.185 202 H VAL 26 HN VAL 26 40.565 -1.750 3.512 203 HA VAL 26 HA VAL 26 43.268 -1.861 4.727 204 HB VAL 26 HB VAL 26 43.361 -2.122 2.143 205 HG11 VAL 26 HG11 VAL 26 41.622 -0.257 1.842 206 HG12 VAL 26 HG12 VAL 26 43.054 -0.175 0.816 207 HG13 VAL 26 HG13 VAL 26 42.924 0.868 2.228 208 HG21 VAL 26 HG21 VAL 26 44.825 0.156 3.515 209 HG22 VAL 26 HG22 VAL 26 45.337 -0.634 2.023 210 HG23 VAL 26 HG23 VAL 26 45.307 -1.540 3.536 211 H GLN 27 HN GLN 27 43.442 -0.237 6.137 212 HA GLN 27 HA GLN 27 41.442 1.927 6.133 213 HB2 GLN 27 HB2 GLN 27 43.665 1.111 8.017 214 HB3 GLN 27 HB1 GLN 27 42.762 2.611 8.235 215 HG2 GLN 27 HG2 GLN 27 40.671 1.394 8.412 216 HG3 GLN 27 HG1 GLN 27 41.475 -0.124 8.014 217 HE21 GLN 27 HE21 GLN 27 42.685 -1.192 9.688 218 HE22 GLN 27 HE22 GLN 27 42.696 -0.647 11.296 219 H LYS 28 HN LYS 28 41.836 3.691 4.883 220 HA LYS 28 HA LYS 28 44.669 4.509 4.390 221 HB2 LYS 28 HB2 LYS 28 43.115 4.009 2.407 222 HB3 LYS 28 HB1 LYS 28 42.236 5.473 2.861 223 HG2 LYS 28 HG2 LYS 28 44.344 6.771 2.687 224 HG3 LYS 28 HG1 LYS 28 45.183 5.308 2.168 225 HD2 LYS 28 HD2 LYS 28 43.864 5.158 0.168 226 HD3 LYS 28 HD1 LYS 28 42.759 6.412 0.731 227 HE2 LYS 28 HE2 LYS 28 44.554 8.076 0.635 228 HE3 LYS 28 HE1 LYS 28 45.704 6.832 0.145 229 HZ1 LYS 28 HZ1 LYS 28 43.812 6.478 -1.676 230 HZ2 LYS 28 HZ2 LYS 28 45.122 7.538 -1.896 231 HZ3 LYS 28 HZ3 LYS 28 43.614 8.139 -1.395 232 H ASP 29 HN ASP 29 45.238 6.727 4.883 233 HA ASP 29 HA ASP 29 43.969 7.967 7.063 234 HB2 ASP 29 HB2 ASP 29 46.280 8.481 6.196 235 HB3 ASP 29 HB1 ASP 29 45.526 9.402 4.895 236 H GLY 30 HN GLY 30 41.687 7.936 6.576 237 HA2 GLY 30 HA2 GLY 30 40.336 10.170 5.981 238 HA3 GLY 30 HA1 GLY 30 40.737 9.642 4.345 239 H ARG 31 HN ARG 31 40.440 6.901 4.498 240 HA ARG 31 HA ARG 31 38.038 6.087 5.868 241 HB2 ARG 31 HB2 ARG 31 37.012 7.613 4.197 242 HB3 ARG 31 HB1 ARG 31 37.774 6.693 2.907 243 HG2 ARG 31 HG2 ARG 31 35.410 6.024 3.239 244 HG3 ARG 31 HG1 ARG 31 36.518 4.689 3.536 245 HD2 ARG 31 HD2 ARG 31 34.557 5.196 5.242 246 HD3 ARG 31 HD1 ARG 31 36.141 4.710 5.839 247 HE ARG 31 HE ARG 31 36.312 7.464 5.769 248 HH11 ARG 31 HH21 ARG 31 34.104 5.146 7.041 249 HH12 ARG 31 HH22 ARG 31 33.632 6.135 8.382 250 HH21 ARG 31 HH11 ARG 31 35.712 8.770 7.512 251 HH22 ARG 31 HH12 ARG 31 34.542 8.187 8.649 252 H ARG 32 HN ARG 32 37.678 3.910 5.655 253 HA ARG 32 HA ARG 32 39.859 2.347 4.458 254 HB2 ARG 32 HB2 ARG 32 39.182 0.644 5.882 255 HB3 ARG 32 HB1 ARG 32 38.571 2.033 6.764 256 HG2 ARG 32 HG2 ARG 32 36.360 1.701 5.579 257 HG3 ARG 32 HG1 ARG 32 36.989 0.173 4.965 258 HD2 ARG 32 HD2 ARG 32 37.564 -0.092 7.630 259 HD3 ARG 32 HD1 ARG 32 36.084 0.862 7.711 260 HE ARG 32 HE ARG 32 36.177 -1.906 7.221 261 HH11 ARG 32 HH21 ARG 32 34.870 0.919 5.718 262 HH12 ARG 32 HH22 ARG 32 33.706 0.039 4.793 263 HH21 ARG 32 HH11 ARG 32 34.651 -3.050 6.035 264 HH22 ARG 32 HH12 ARG 32 33.575 -2.200 4.977 265 H VAL 33 HN VAL 33 39.555 0.793 2.764 266 HA VAL 33 HA VAL 33 36.873 0.725 1.446 267 HB VAL 33 HB VAL 33 39.453 1.487 0.035 268 HG11 VAL 33 HG11 VAL 33 37.882 1.612 -1.975 269 HG12 VAL 33 HG12 VAL 33 36.715 0.715 -1.008 270 HG13 VAL 33 HG13 VAL 33 38.266 -0.016 -1.415 271 HG21 VAL 33 HG21 VAL 33 38.517 3.462 0.984 272 HG22 VAL 33 HG22 VAL 33 36.867 2.930 0.665 273 HG23 VAL 33 HG23 VAL 33 37.901 3.446 -0.667 274 H GLU 34 HN GLU 34 36.459 -1.148 0.364 275 HA GLU 34 HA GLU 34 38.337 -3.383 0.894 276 HB2 GLU 34 HB2 GLU 34 35.797 -3.250 1.548 277 HB3 GLU 34 HB1 GLU 34 35.515 -3.671 -0.141 278 HG2 GLU 34 HG2 GLU 34 37.269 -5.252 1.760 279 HG3 GLU 34 HG1 GLU 34 35.605 -5.667 1.350 280 H PHE 35 HN PHE 35 39.574 -4.138 -0.756 281 HA PHE 35 HA PHE 35 38.620 -3.759 -3.585 282 HB2 PHE 35 HB2 PHE 35 41.353 -3.690 -2.313 283 HB3 PHE 35 HB1 PHE 35 41.213 -4.215 -3.987 284 HD1 PHE 35 HD1 PHE 35 39.483 -2.616 -5.409 285 HD2 PHE 35 HD2 PHE 35 41.843 -1.434 -2.021 286 HE1 PHE 35 HE1 PHE 35 39.384 -0.255 -6.158 287 HE2 PHE 35 HE2 PHE 35 41.748 0.922 -2.767 288 HZ PHE 35 HZ PHE 35 40.513 1.516 -4.838 289 H THR 36 HN THR 36 38.661 -5.596 -4.928 290 HA THR 36 HA THR 36 39.173 -8.212 -3.543 291 HB THR 36 HB THR 36 37.628 -9.205 -5.142 292 HG1 THR 36 HG1 THR 36 36.566 -7.751 -6.624 293 HG21 THR 36 HG21 THR 36 36.306 -6.647 -4.245 294 HG22 THR 36 HG22 THR 36 36.787 -7.889 -3.088 295 HG23 THR 36 HG23 THR 36 35.614 -8.264 -4.350 296 H ALA 37 HN ALA 37 40.000 -9.956 -5.196 297 HA ALA 37 HA ALA 37 42.460 -9.078 -6.320 298 HB1 ALA 37 HB1 ALA 37 42.381 -11.383 -5.909 299 HB2 ALA 37 HB2 ALA 37 42.228 -11.322 -7.663 300 HB3 ALA 37 HB3 ALA 37 40.796 -11.562 -6.663 301 H THR 38 HN THR 38 39.309 -8.638 -7.492 302 HA THR 38 HA THR 38 39.740 -8.798 -10.314 303 HB THR 38 HB THR 38 37.751 -7.339 -10.501 304 HG1 THR 38 HG1 THR 38 36.907 -6.398 -8.697 305 HG21 THR 38 HG21 THR 38 37.700 -9.860 -9.701 306 HG22 THR 38 HG22 THR 38 36.228 -8.892 -9.664 307 HG23 THR 38 HG23 THR 38 37.146 -9.151 -8.183 308 H SER 39 HN SER 39 40.725 -6.475 -7.941 309 HA SER 39 HA SER 39 41.802 -4.714 -10.127 310 HB2 SER 39 HB2 SER 39 41.229 -2.764 -8.900 311 HB3 SER 39 HB1 SER 39 39.793 -3.778 -8.818 312 HG SER 39 HG SER 39 41.078 -4.583 -6.807 313 H VAL 40 HN VAL 40 43.449 -6.662 -9.250 314 HA VAL 40 HA VAL 40 44.973 -5.764 -6.903 315 HB VAL 40 HB VAL 40 44.806 -8.147 -7.250 316 HG11 VAL 40 HG11 VAL 40 46.222 -7.732 -9.918 317 HG12 VAL 40 HG12 VAL 40 44.490 -8.033 -9.761 318 HG13 VAL 40 HG13 VAL 40 45.650 -9.263 -9.258 319 HG21 VAL 40 HG21 VAL 40 47.135 -8.736 -7.088 320 HG22 VAL 40 HG22 VAL 40 47.007 -7.093 -6.450 321 HG23 VAL 40 HG23 VAL 40 47.617 -7.362 -8.083 322 H SER 41 HN SER 41 44.979 -4.928 -10.231 323 HA SER 41 HA SER 41 47.824 -4.413 -10.482 324 HB2 SER 41 HB2 SER 41 47.107 -3.073 -12.484 325 HB3 SER 41 HB1 SER 41 46.516 -4.732 -12.492 326 HG SER 41 HG SER 41 45.057 -2.680 -12.805 327 H ASP 42 HN ASP 42 44.978 -2.321 -9.921 328 HA ASP 42 HA ASP 42 46.356 0.140 -9.685 329 HB2 ASP 42 HB2 ASP 42 44.400 0.687 -8.044 330 HB3 ASP 42 HB1 ASP 42 44.004 0.289 -9.715 331 H LEU 43 HN LEU 43 46.009 -2.534 -7.321 332 HA LEU 43 HA LEU 43 46.975 -1.025 -5.077 333 HB2 LEU 43 HB2 LEU 43 45.808 -3.343 -5.106 334 HB3 LEU 43 HB1 LEU 43 47.401 -3.994 -5.469 335 HG LEU 43 HG LEU 43 48.294 -3.026 -3.371 336 HD11 LEU 43 HD11 LEU 43 45.558 -1.782 -3.282 337 HD12 LEU 43 HD12 LEU 43 47.108 -1.120 -2.769 338 HD13 LEU 43 HD13 LEU 43 46.271 -2.281 -1.749 339 HD21 LEU 43 HD21 LEU 43 47.139 -5.296 -3.504 340 HD22 LEU 43 HD22 LEU 43 45.722 -4.520 -2.799 341 HD23 LEU 43 HD23 LEU 43 47.233 -4.582 -1.893 342 H LYS 44 HN LYS 44 48.550 -2.892 -7.639 343 HA LYS 44 HA LYS 44 51.210 -2.741 -6.539 344 HB2 LYS 44 HB2 LYS 44 50.024 -3.324 -9.231 345 HB3 LYS 44 HB1 LYS 44 51.739 -2.920 -9.174 346 HG2 LYS 44 HG2 LYS 44 52.230 -4.760 -7.742 347 HG3 LYS 44 HG1 LYS 44 50.526 -5.034 -7.383 348 HD2 LYS 44 HD2 LYS 44 50.088 -5.857 -9.574 349 HD3 LYS 44 HD1 LYS 44 51.624 -5.248 -10.190 350 HE2 LYS 44 HE2 LYS 44 51.466 -7.335 -8.011 351 HE3 LYS 44 HE1 LYS 44 51.534 -7.755 -9.724 352 HZ1 LYS 44 HZ1 LYS 44 53.585 -6.407 -9.868 353 HZ2 LYS 44 HZ2 LYS 44 53.739 -7.758 -8.849 354 HZ3 LYS 44 HZ3 LYS 44 53.543 -6.205 -8.185 355 H LYS 45 HN LYS 45 49.474 -0.702 -8.910 356 HA LYS 45 HA LYS 45 51.599 1.147 -9.346 357 HB2 LYS 45 HB2 LYS 45 49.424 0.867 -10.658 358 HB3 LYS 45 HB1 LYS 45 48.656 1.820 -9.392 359 HG2 LYS 45 HG2 LYS 45 50.143 3.698 -9.818 360 HG3 LYS 45 HG1 LYS 45 51.076 2.745 -10.969 361 HD2 LYS 45 HD2 LYS 45 49.667 4.007 -12.363 362 HD3 LYS 45 HD1 LYS 45 48.819 2.468 -12.242 363 HE2 LYS 45 HE2 LYS 45 47.299 4.416 -11.931 364 HE3 LYS 45 HE1 LYS 45 47.348 3.378 -10.509 365 HZ1 LYS 45 HZ1 LYS 45 48.773 4.875 -9.404 366 HZ2 LYS 45 HZ2 LYS 45 47.539 5.827 -10.081 367 HZ3 LYS 45 HZ3 LYS 45 49.071 5.769 -10.815 368 H TYR 46 HN TYR 46 48.932 1.148 -6.991 369 HA TYR 46 HA TYR 46 49.408 3.695 -5.842 370 HB2 TYR 46 HB2 TYR 46 47.422 2.350 -5.329 371 HB3 TYR 46 HB1 TYR 46 48.428 1.139 -4.542 372 HD1 TYR 46 HD2 TYR 46 47.982 4.875 -4.420 373 HD2 TYR 46 HD1 TYR 46 48.453 1.219 -2.208 374 HE1 TYR 46 HE2 TYR 46 47.809 6.136 -2.294 375 HE2 TYR 46 HE1 TYR 46 48.274 2.480 -0.084 376 HH TYR 46 HH TYR 46 48.652 5.731 0.159 377 H ILE 47 HN ILE 47 50.665 0.505 -4.812 378 HA ILE 47 HA ILE 47 52.337 1.420 -2.721 379 HB ILE 47 HB ILE 47 52.823 -0.855 -4.666 380 HG12 ILE 47 HG12 ILE 47 51.702 -1.123 -1.873 381 HG13 ILE 47 HG11 ILE 47 50.632 -0.747 -3.223 382 HG21 ILE 47 HG21 ILE 47 54.867 -0.379 -3.504 383 HG22 ILE 47 HG22 ILE 47 54.144 -1.773 -2.702 384 HG23 ILE 47 HG23 ILE 47 54.019 -0.172 -1.971 385 HD11 ILE 47 HD11 ILE 47 51.152 -3.272 -2.540 386 HD12 ILE 47 HD12 ILE 47 52.558 -3.016 -3.575 387 HD13 ILE 47 HD13 ILE 47 50.936 -2.805 -4.225 388 H ALA 48 HN ALA 48 53.072 0.957 -6.178 389 HA ALA 48 HA ALA 48 55.775 1.749 -6.114 390 HB1 ALA 48 HB1 ALA 48 55.449 2.345 -8.519 391 HB2 ALA 48 HB2 ALA 48 53.710 2.150 -8.296 392 HB3 ALA 48 HB3 ALA 48 54.785 0.763 -8.109 393 H GLU 49 HN GLU 49 52.838 3.737 -6.331 394 HA GLU 49 HA GLU 49 54.124 6.222 -6.860 395 HB2 GLU 49 HB2 GLU 49 51.532 5.537 -5.460 396 HB3 GLU 49 HB1 GLU 49 52.049 7.202 -5.722 397 HG2 GLU 49 HG2 GLU 49 52.104 6.873 -8.121 398 HG3 GLU 49 HG1 GLU 49 51.786 5.148 -7.933 399 H LEU 50 HN LEU 50 53.792 4.377 -3.893 400 HA LEU 50 HA LEU 50 54.559 6.626 -2.180 401 HB2 LEU 50 HB2 LEU 50 54.649 3.680 -1.486 402 HB3 LEU 50 HB1 LEU 50 54.537 5.042 -0.374 403 HG LEU 50 HG LEU 50 52.425 4.122 -2.343 404 HD11 LEU 50 HD11 LEU 50 51.096 3.830 -0.266 405 HD12 LEU 50 HD12 LEU 50 52.501 4.309 0.684 406 HD13 LEU 50 HD13 LEU 50 52.543 2.823 -0.266 407 HD21 LEU 50 HD21 LEU 50 52.240 6.481 -2.397 408 HD22 LEU 50 HD22 LEU 50 52.685 6.645 -0.699 409 HD23 LEU 50 HD23 LEU 50 51.100 6.011 -1.139 410 H GLU 51 HN GLU 51 56.213 4.007 -3.850 411 HA GLU 51 HA GLU 51 58.693 4.209 -2.409 412 HB2 GLU 51 HB2 GLU 51 57.995 3.198 -5.173 413 HB3 GLU 51 HB1 GLU 51 59.645 3.170 -4.552 414 HG2 GLU 51 HG2 GLU 51 59.067 1.701 -2.773 415 HG3 GLU 51 HG1 GLU 51 57.340 1.971 -3.009 416 H VAL 52 HN VAL 52 57.331 5.997 -5.126 417 HA VAL 52 HA VAL 52 59.864 7.391 -5.660 418 HB VAL 52 HB VAL 52 57.089 8.042 -6.699 419 HG11 VAL 52 HG11 VAL 52 58.488 8.962 -8.610 420 HG12 VAL 52 HG12 VAL 52 59.904 8.733 -7.584 421 HG13 VAL 52 HG13 VAL 52 58.630 9.850 -7.093 422 HG21 VAL 52 HG21 VAL 52 59.214 6.126 -7.701 423 HG22 VAL 52 HG22 VAL 52 57.914 6.733 -8.725 424 HG23 VAL 52 HG23 VAL 52 57.536 5.756 -7.307 425 H GLN 53 HN GLN 53 56.914 7.945 -3.815 426 HA GLN 53 HA GLN 53 57.468 10.786 -3.407 427 HB2 GLN 53 HB2 GLN 53 55.522 8.840 -2.146 428 HB3 GLN 53 HB1 GLN 53 55.653 10.521 -1.629 429 HG2 GLN 53 HG2 GLN 53 55.176 9.713 -4.507 430 HG3 GLN 53 HG1 GLN 53 53.870 10.081 -3.380 431 HE21 GLN 53 HE21 GLN 53 54.835 12.280 -1.986 432 HE22 GLN 53 HE22 GLN 53 55.136 13.567 -3.052 433 H THR 54 HN THR 54 58.018 7.773 -1.630 434 HA THR 54 HA THR 54 59.033 9.187 0.724 435 HB THR 54 HB THR 54 59.503 6.257 0.171 436 HG1 THR 54 HG1 THR 54 57.248 7.129 -0.269 437 HG21 THR 54 HG21 THR 54 60.385 7.335 2.239 438 HG22 THR 54 HG22 THR 54 59.186 6.090 2.586 439 HG23 THR 54 HG23 THR 54 58.738 7.794 2.670 440 H GLY 55 HN GLY 55 60.341 9.681 -1.896 441 HA2 GLY 55 HA2 GLY 55 63.039 8.473 -1.490 442 HA3 GLY 55 HA1 GLY 55 62.500 9.321 -2.939 443 H MET 56 HN MET 56 61.998 10.539 0.339 444 HA MET 56 HA MET 56 63.013 13.127 -0.279 445 HB2 MET 56 HB2 MET 56 62.645 11.692 2.366 446 HB3 MET 56 HB1 MET 56 63.161 13.373 2.258 447 HG2 MET 56 HG2 MET 56 60.793 13.449 2.529 448 HG3 MET 56 HG1 MET 56 61.077 13.771 0.820 449 HE1 MET 56 HE1 MET 56 60.645 10.811 3.369 450 HE2 MET 56 HE2 MET 56 59.074 10.229 2.824 451 HE3 MET 56 HE3 MET 56 59.246 11.894 3.370 452 H THR 57 HN THR 57 64.992 14.128 0.701 453 HA THR 57 HA THR 57 67.208 12.252 1.296 454 HB THR 57 HB THR 57 67.429 14.305 -0.926 455 HG1 THR 57 HG1 THR 57 66.446 11.773 -0.898 456 HG21 THR 57 HG21 THR 57 69.510 12.930 -1.406 457 HG22 THR 57 HG22 THR 57 69.249 12.141 0.149 458 HG23 THR 57 HG23 THR 57 69.561 13.875 0.081 459 H GLN 58 HN GLN 58 65.597 15.185 1.711 460 HA GLN 58 HA GLN 58 67.612 16.076 3.657 461 HB2 GLN 58 HB2 GLN 58 68.329 17.087 1.459 462 HB3 GLN 58 HB1 GLN 58 66.783 17.935 1.410 463 HG2 GLN 58 HG2 GLN 58 67.290 19.087 3.491 464 HG3 GLN 58 HG1 GLN 58 68.777 18.158 3.681 465 HE21 GLN 58 HE21 GLN 58 69.651 18.266 0.919 466 HE22 GLN 58 HE22 GLN 58 70.074 19.873 0.575 467 H ARG 59 HN ARG 59 64.535 16.680 2.000 468 HA ARG 59 HA ARG 59 62.505 17.500 2.845 469 HB2 ARG 59 HB2 ARG 59 63.140 15.581 4.492 470 HB3 ARG 59 HB1 ARG 59 63.560 16.879 5.607 471 HG2 ARG 59 HG2 ARG 59 61.319 16.468 6.143 472 HG3 ARG 59 HG1 ARG 59 61.191 17.825 5.026 473 HD2 ARG 59 HD2 ARG 59 61.124 15.668 3.292 474 HD3 ARG 59 HD1 ARG 59 60.270 15.026 4.692 475 HE ARG 59 HE ARG 59 59.144 16.779 2.807 476 HH11 ARG 59 HH21 ARG 59 59.627 16.685 6.228 477 HH12 ARG 59 HH22 ARG 59 58.352 17.803 6.562 478 HH21 ARG 59 HH11 ARG 59 57.476 18.218 3.240 479 HH22 ARG 59 HH12 ARG 59 57.132 18.664 4.878 480 H ARG 60 HN ARG 60 64.547 19.421 2.400 481 HA ARG 60 HA ARG 60 64.997 21.155 4.627 482 HB2 ARG 60 HB2 ARG 60 66.219 21.258 2.431 483 HB3 ARG 60 HB1 ARG 60 64.767 21.960 1.714 484 HG2 ARG 60 HG2 ARG 60 64.866 23.842 3.273 485 HG3 ARG 60 HG1 ARG 60 66.265 23.128 4.078 486 HD2 ARG 60 HD2 ARG 60 66.181 23.954 1.161 487 HD3 ARG 60 HD1 ARG 60 66.922 24.895 2.456 488 HE ARG 60 HE ARG 60 68.145 22.416 2.657 489 HH11 ARG 60 HH21 ARG 60 67.594 24.741 0.172 490 HH12 ARG 60 HH22 ARG 60 69.046 24.360 -0.691 491 HH21 ARG 60 HH11 ARG 60 70.045 21.905 1.544 492 HH22 ARG 60 HH12 ARG 60 70.433 22.754 0.086 493 H ARG 61 HN ARG 61 62.904 21.228 5.684 494 HA ARG 61 HA ARG 61 61.032 23.204 4.425 495 HB2 ARG 61 HB2 ARG 61 60.215 20.759 6.028 496 HB3 ARG 61 HB1 ARG 61 59.129 21.944 5.308 497 HG2 ARG 61 HG2 ARG 61 61.093 20.298 3.689 498 HG3 ARG 61 HG1 ARG 61 59.429 19.801 3.972 499 HD2 ARG 61 HD2 ARG 61 58.780 22.130 3.034 500 HD3 ARG 61 HD1 ARG 61 60.432 22.185 2.420 501 HE ARG 61 HE ARG 61 59.487 19.728 1.559 502 HH11 ARG 61 HH21 ARG 61 58.458 23.014 1.381 503 HH12 ARG 61 HH22 ARG 61 57.657 22.819 -0.142 504 HH21 ARG 61 HH11 ARG 61 58.447 19.454 -0.429 505 HH22 ARG 61 HH12 ARG 61 57.651 20.804 -1.168 506 H GLY 62 HN GLY 62 61.208 24.973 5.712 507 HA2 GLY 62 HA2 GLY 62 62.153 24.939 8.407 508 HA3 GLY 62 HA1 GLY 62 61.295 26.286 7.655 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 54.554 10.363 8.901 2 H2 MET 1 HT2 MET 1 55.086 9.426 7.586 3 H3 MET 1 HT3 MET 1 56.140 10.535 8.325 4 HA MET 1 HA MET 1 56.804 8.457 9.137 5 HB2 MET 1 HB2 MET 1 56.499 10.254 10.858 6 HB3 MET 1 HB1 MET 1 54.884 9.625 11.176 7 HG2 MET 1 HG2 MET 1 57.289 7.810 11.329 8 HG3 MET 1 HG1 MET 1 56.839 8.826 12.696 9 HE1 MET 1 HE1 MET 1 56.947 5.505 12.292 10 HE2 MET 1 HE2 MET 1 55.697 5.123 13.473 11 HE3 MET 1 HE3 MET 1 56.867 6.393 13.820 12 H VAL 2 HN VAL 2 53.271 8.842 9.448 13 HA VAL 2 HA VAL 2 52.811 6.081 10.129 14 HB VAL 2 HB VAL 2 51.287 8.263 10.290 15 HG11 VAL 2 HG11 VAL 2 49.561 8.406 8.624 16 HG12 VAL 2 HG12 VAL 2 50.170 6.980 7.789 17 HG13 VAL 2 HG13 VAL 2 51.109 8.473 7.785 18 HG21 VAL 2 HG21 VAL 2 50.239 5.465 9.783 19 HG22 VAL 2 HG22 VAL 2 49.293 6.766 10.509 20 HG23 VAL 2 HG23 VAL 2 50.717 6.142 11.340 21 H ARG 3 HN ARG 3 53.837 7.535 7.315 22 HA ARG 3 HA ARG 3 52.472 5.878 5.363 23 HB2 ARG 3 HB2 ARG 3 55.045 7.472 5.214 24 HB3 ARG 3 HB1 ARG 3 54.322 6.646 3.834 25 HG2 ARG 3 HG2 ARG 3 52.357 8.009 3.927 26 HG3 ARG 3 HG1 ARG 3 52.798 8.653 5.509 27 HD2 ARG 3 HD2 ARG 3 54.837 9.676 4.453 28 HD3 ARG 3 HD1 ARG 3 54.225 9.157 2.883 29 HE ARG 3 HE ARG 3 52.117 10.586 3.974 30 HH11 ARG 3 HH21 ARG 3 55.473 11.120 3.395 31 HH12 ARG 3 HH22 ARG 3 55.297 12.826 3.156 32 HH21 ARG 3 HH11 ARG 3 51.867 12.812 3.665 33 HH22 ARG 3 HH12 ARG 3 53.255 13.784 3.309 34 H GLN 4 HN GLN 4 55.500 5.621 7.177 35 HA GLN 4 HA GLN 4 56.622 3.428 5.760 36 HB2 GLN 4 HB2 GLN 4 57.620 4.903 7.676 37 HB3 GLN 4 HB1 GLN 4 56.898 3.709 8.753 38 HG2 GLN 4 HG2 GLN 4 58.104 1.915 7.476 39 HG3 GLN 4 HG1 GLN 4 58.916 3.179 6.551 40 HE21 GLN 4 HE21 GLN 4 61.048 2.930 7.388 41 HE22 GLN 4 HE22 GLN 4 61.437 3.156 9.025 42 H GLU 5 HN GLU 5 54.550 3.442 8.675 43 HA GLU 5 HA GLU 5 54.311 0.588 8.839 44 HB2 GLU 5 HB2 GLU 5 53.754 2.270 10.664 45 HB3 GLU 5 HB1 GLU 5 52.261 2.605 9.787 46 HG2 GLU 5 HG2 GLU 5 51.724 0.941 11.429 47 HG3 GLU 5 HG1 GLU 5 51.785 0.109 9.874 48 H GLU 6 HN GLU 6 52.172 3.071 7.399 49 HA GLU 6 HA GLU 6 50.136 1.334 6.522 50 HB2 GLU 6 HB2 GLU 6 49.762 3.692 6.344 51 HB3 GLU 6 HB1 GLU 6 51.182 3.921 5.329 52 HG2 GLU 6 HG2 GLU 6 50.164 2.791 3.488 53 HG3 GLU 6 HG1 GLU 6 48.856 2.180 4.500 54 H LEU 7 HN LEU 7 53.413 1.585 5.442 55 HA LEU 7 HA LEU 7 52.946 0.474 2.790 56 HB2 LEU 7 HB2 LEU 7 54.981 1.858 3.682 57 HB3 LEU 7 HB1 LEU 7 55.562 0.317 4.297 58 HG LEU 7 HG LEU 7 56.546 0.736 2.116 59 HD11 LEU 7 HD11 LEU 7 55.665 -1.600 2.789 60 HD12 LEU 7 HD12 LEU 7 56.097 -1.331 1.101 61 HD13 LEU 7 HD13 LEU 7 54.404 -1.313 1.588 62 HD21 LEU 7 HD21 LEU 7 55.408 1.417 0.232 63 HD22 LEU 7 HD22 LEU 7 54.377 2.158 1.452 64 HD23 LEU 7 HD23 LEU 7 53.902 0.634 0.701 65 H ALA 8 HN ALA 8 54.280 -0.806 5.850 66 HA ALA 8 HA ALA 8 54.477 -3.511 4.940 67 HB1 ALA 8 HB1 ALA 8 55.621 -2.685 6.973 68 HB2 ALA 8 HB2 ALA 8 54.632 -4.100 7.326 69 HB3 ALA 8 HB3 ALA 8 54.059 -2.493 7.770 70 H ALA 9 HN ALA 9 51.769 -1.626 6.049 71 HA ALA 9 HA ALA 9 50.071 -3.895 6.701 72 HB1 ALA 9 HB1 ALA 9 49.523 -1.831 7.771 73 HB2 ALA 9 HB2 ALA 9 48.243 -2.111 6.590 74 HB3 ALA 9 HB3 ALA 9 49.529 -0.955 6.240 75 H ALA 10 HN ALA 10 50.036 -1.528 3.991 76 HA ALA 10 HA ALA 10 48.069 -2.905 2.467 77 HB1 ALA 10 HB1 ALA 10 50.274 -0.985 1.758 78 HB2 ALA 10 HB2 ALA 10 48.531 -0.741 1.688 79 HB3 ALA 10 HB3 ALA 10 49.329 -1.748 0.480 80 H ARG 11 HN ARG 11 51.501 -3.417 2.892 81 HA ARG 11 HA ARG 11 51.870 -5.232 0.684 82 HB2 ARG 11 HB2 ARG 11 53.596 -4.024 2.329 83 HB3 ARG 11 HB1 ARG 11 53.425 -5.503 3.265 84 HG2 ARG 11 HG2 ARG 11 55.139 -6.203 1.889 85 HG3 ARG 11 HG1 ARG 11 53.802 -6.595 0.809 86 HD2 ARG 11 HD2 ARG 11 54.032 -4.349 -0.231 87 HD3 ARG 11 HD1 ARG 11 55.425 -4.037 0.803 88 HE ARG 11 HE ARG 11 56.065 -6.416 -0.469 89 HH11 ARG 11 HH21 ARG 11 55.039 -3.266 -1.427 90 HH12 ARG 11 HH22 ARG 11 55.882 -3.306 -2.940 91 HH21 ARG 11 HH11 ARG 11 57.172 -6.486 -2.439 92 HH22 ARG 11 HH12 ARG 11 57.090 -5.129 -3.513 93 H ALA 12 HN ALA 12 51.231 -5.722 4.217 94 HA ALA 12 HA ALA 12 51.114 -8.530 4.196 95 HB1 ALA 12 HB1 ALA 12 49.618 -8.331 6.158 96 HB2 ALA 12 HB2 ALA 12 49.374 -6.625 5.784 97 HB3 ALA 12 HB3 ALA 12 50.969 -7.202 6.270 98 H ALA 13 HN ALA 13 49.085 -6.273 2.748 99 HA ALA 13 HA ALA 13 46.727 -7.965 2.545 100 HB1 ALA 13 HB1 ALA 13 47.281 -5.672 0.671 101 HB2 ALA 13 HB2 ALA 13 46.902 -5.352 2.362 102 HB3 ALA 13 HB3 ALA 13 45.744 -6.210 1.347 103 H LEU 14 HN LEU 14 49.490 -7.150 0.418 104 HA LEU 14 HA LEU 14 48.512 -8.545 -1.847 105 HB2 LEU 14 HB2 LEU 14 51.015 -7.326 -1.136 106 HB3 LEU 14 HB1 LEU 14 51.363 -8.899 -1.824 107 HG LEU 14 HG LEU 14 49.512 -6.907 -3.167 108 HD11 LEU 14 HD11 LEU 14 51.378 -6.229 -4.547 109 HD12 LEU 14 HD12 LEU 14 52.452 -7.359 -3.723 110 HD13 LEU 14 HD13 LEU 14 51.809 -5.964 -2.861 111 HD21 LEU 14 HD21 LEU 14 49.649 -8.327 -5.030 112 HD22 LEU 14 HD22 LEU 14 49.571 -9.466 -3.689 113 HD23 LEU 14 HD23 LEU 14 51.121 -9.109 -4.450 114 H HIS 15 HN HIS 15 50.049 -9.722 1.078 115 HA HIS 15 HA HIS 15 50.443 -12.418 0.033 116 HB2 HIS 15 HB2 HIS 15 51.792 -11.506 1.918 117 HB3 HIS 15 HB1 HIS 15 50.333 -11.453 2.908 118 HD1 HIS 15 HD1 HIS 15 51.868 -14.141 0.659 119 HD2 HIS 15 HD2 HIS 15 50.312 -13.697 4.500 120 HE1 HIS 15 HE1 HIS 15 51.976 -16.427 1.745 121 H ASP 16 HN ASP 16 47.915 -10.675 1.719 122 HA ASP 16 HA ASP 16 46.360 -13.033 2.400 123 HB2 ASP 16 HB2 ASP 16 45.390 -10.177 2.166 124 HB3 ASP 16 HB1 ASP 16 44.679 -11.473 3.124 125 H LEU 17 HN LEU 17 46.858 -11.306 -0.510 126 HA LEU 17 HA LEU 17 44.204 -12.081 -1.614 127 HB2 LEU 17 HB2 LEU 17 46.448 -10.365 -2.709 128 HB3 LEU 17 HB1 LEU 17 44.986 -10.744 -3.605 129 HG LEU 17 HG LEU 17 44.951 -9.491 -0.847 130 HD11 LEU 17 HD11 LEU 17 44.623 -8.032 -3.477 131 HD12 LEU 17 HD12 LEU 17 46.143 -8.076 -2.587 132 HD13 LEU 17 HD13 LEU 17 44.720 -7.332 -1.863 133 HD21 LEU 17 HD21 LEU 17 42.892 -10.140 -2.942 134 HD22 LEU 17 HD22 LEU 17 42.645 -8.718 -1.940 135 HD23 LEU 17 HD23 LEU 17 42.799 -10.301 -1.191 136 H MET 18 HN MET 18 47.593 -13.000 -1.835 137 HA MET 18 HA MET 18 47.039 -14.713 -4.192 138 HB2 MET 18 HB2 MET 18 49.504 -13.805 -2.734 139 HB3 MET 18 HB1 MET 18 49.590 -15.307 -3.652 140 HG2 MET 18 HG2 MET 18 49.159 -14.236 -5.696 141 HG3 MET 18 HG1 MET 18 48.434 -12.829 -4.921 142 HE1 MET 18 HE1 MET 18 49.879 -11.891 -6.911 143 HE2 MET 18 HE2 MET 18 51.038 -13.182 -7.218 144 HE3 MET 18 HE3 MET 18 51.616 -11.567 -6.819 145 H THR 19 HN THR 19 46.734 -14.957 -0.853 146 HA THR 19 HA THR 19 47.519 -17.805 -0.707 147 HB THR 19 HB THR 19 46.531 -17.501 1.682 148 HG1 THR 19 HG1 THR 19 45.674 -15.332 0.675 149 HG21 THR 19 HG21 THR 19 48.921 -15.886 0.746 150 HG22 THR 19 HG22 THR 19 48.934 -17.583 1.227 151 HG23 THR 19 HG23 THR 19 48.594 -16.332 2.422 152 H GLY 20 HN GLY 20 44.807 -16.112 -1.751 153 HA2 GLY 20 HA2 GLY 20 43.061 -17.733 -2.682 154 HA3 GLY 20 HA1 GLY 20 42.973 -18.392 -1.052 155 H LYS 21 HN LYS 21 42.922 -16.098 0.509 156 HA LYS 21 HA LYS 21 40.217 -15.319 0.378 157 HB2 LYS 21 HB2 LYS 21 42.469 -13.674 1.567 158 HB3 LYS 21 HB1 LYS 21 40.766 -13.623 2.018 159 HG2 LYS 21 HG2 LYS 21 41.085 -16.191 2.496 160 HG3 LYS 21 HG1 LYS 21 42.797 -15.781 2.548 161 HD2 LYS 21 HD2 LYS 21 41.944 -15.656 4.802 162 HD3 LYS 21 HD1 LYS 21 42.259 -14.014 4.255 163 HE2 LYS 21 HE2 LYS 21 39.502 -15.032 3.735 164 HE3 LYS 21 HE1 LYS 21 39.919 -14.749 5.423 165 HZ1 LYS 21 HZ1 LYS 21 39.213 -12.862 3.531 166 HZ2 LYS 21 HZ2 LYS 21 40.870 -12.625 3.824 167 HZ3 LYS 21 HZ3 LYS 21 39.763 -12.583 5.112 168 H ARG 22 HN ARG 22 39.220 -14.096 -1.127 169 HA ARG 22 HA ARG 22 40.796 -12.464 -2.969 170 HB2 ARG 22 HB2 ARG 22 38.872 -14.075 -3.563 171 HB3 ARG 22 HB1 ARG 22 37.797 -12.812 -2.967 172 HG2 ARG 22 HG2 ARG 22 38.899 -11.218 -4.547 173 HG3 ARG 22 HG1 ARG 22 39.810 -12.568 -5.214 174 HD2 ARG 22 HD2 ARG 22 36.850 -12.040 -5.346 175 HD3 ARG 22 HD1 ARG 22 37.962 -12.434 -6.657 176 HE ARG 22 HE ARG 22 38.024 -14.685 -5.047 177 HH11 ARG 22 HH21 ARG 22 35.596 -12.765 -6.564 178 HH12 ARG 22 HH22 ARG 22 34.501 -14.088 -6.791 179 HH21 ARG 22 HH11 ARG 22 36.608 -16.426 -5.335 180 HH22 ARG 22 HH12 ARG 22 35.076 -16.161 -6.094 181 H VAL 23 HN VAL 23 38.269 -11.985 -0.506 182 HA VAL 23 HA VAL 23 38.104 -9.093 -1.048 183 HB VAL 23 HB VAL 23 36.176 -10.468 -0.216 184 HG11 VAL 23 HG11 VAL 23 36.125 -11.246 2.053 185 HG12 VAL 23 HG12 VAL 23 37.620 -10.401 2.447 186 HG13 VAL 23 HG13 VAL 23 37.657 -11.805 1.380 187 HG21 VAL 23 HG21 VAL 23 36.211 -8.019 0.079 188 HG22 VAL 23 HG22 VAL 23 37.086 -8.208 1.598 189 HG23 VAL 23 HG23 VAL 23 35.430 -8.795 1.457 190 H ALA 24 HN ALA 24 39.125 -7.469 0.061 191 HA ALA 24 HA ALA 24 40.602 -8.058 2.563 192 HB1 ALA 24 HB1 ALA 24 42.313 -8.522 0.929 193 HB2 ALA 24 HB2 ALA 24 42.656 -6.930 1.605 194 HB3 ALA 24 HB3 ALA 24 41.906 -7.069 0.014 195 H THR 25 HN THR 25 41.084 -6.122 3.757 196 HA THR 25 HA THR 25 39.731 -3.629 2.724 197 HB THR 25 HB THR 25 39.858 -4.681 5.567 198 HG1 THR 25 HG1 THR 25 38.147 -5.675 4.888 199 HG21 THR 25 HG21 THR 25 38.809 -2.125 4.356 200 HG22 THR 25 HG22 THR 25 39.945 -2.314 5.693 201 HG23 THR 25 HG23 THR 25 38.244 -2.725 5.915 202 H VAL 26 HN VAL 26 40.725 -1.626 3.353 203 HA VAL 26 HA VAL 26 43.347 -1.764 4.723 204 HB VAL 26 HB VAL 26 43.782 -2.063 2.267 205 HG11 VAL 26 HG11 VAL 26 42.911 0.813 1.967 206 HG12 VAL 26 HG12 VAL 26 41.788 -0.514 1.677 207 HG13 VAL 26 HG13 VAL 26 43.250 -0.369 0.707 208 HG21 VAL 26 HG21 VAL 26 45.546 -0.379 2.175 209 HG22 VAL 26 HG22 VAL 26 45.416 -0.988 3.826 210 HG23 VAL 26 HG23 VAL 26 44.730 0.582 3.409 211 H GLN 27 HN GLN 27 43.477 -0.121 6.110 212 HA GLN 27 HA GLN 27 41.493 2.046 6.007 213 HB2 GLN 27 HB2 GLN 27 43.670 1.267 7.955 214 HB3 GLN 27 HB1 GLN 27 42.776 2.778 8.120 215 HG2 GLN 27 HG2 GLN 27 40.658 1.540 8.211 216 HG3 GLN 27 HG1 GLN 27 41.524 0.018 7.992 217 HE21 GLN 27 HE21 GLN 27 41.039 2.718 10.276 218 HE22 GLN 27 HE22 GLN 27 41.618 1.886 11.637 219 H LYS 28 HN LYS 28 41.912 3.790 4.730 220 HA LYS 28 HA LYS 28 44.754 4.583 4.262 221 HB2 LYS 28 HB2 LYS 28 43.196 4.093 2.277 222 HB3 LYS 28 HB1 LYS 28 42.343 5.576 2.716 223 HG2 LYS 28 HG2 LYS 28 44.618 6.737 2.642 224 HG3 LYS 28 HG1 LYS 28 45.226 5.278 1.861 225 HD2 LYS 28 HD2 LYS 28 42.876 6.912 0.857 226 HD3 LYS 28 HD1 LYS 28 44.516 7.020 0.218 227 HE2 LYS 28 HE2 LYS 28 44.342 4.468 -0.152 228 HE3 LYS 28 HE1 LYS 28 42.607 4.684 0.090 229 HZ1 LYS 28 HZ1 LYS 28 42.619 6.337 -1.687 230 HZ2 LYS 28 HZ2 LYS 28 43.161 4.825 -2.241 231 HZ3 LYS 28 HZ3 LYS 28 44.275 6.072 -1.937 232 H ASP 29 HN ASP 29 45.348 6.793 4.752 233 HA ASP 29 HA ASP 29 44.073 8.058 6.919 234 HB2 ASP 29 HB2 ASP 29 45.741 9.373 4.751 235 HB3 ASP 29 HB1 ASP 29 45.427 10.029 6.358 236 H GLY 30 HN GLY 30 41.793 8.048 6.379 237 HA2 GLY 30 HA2 GLY 30 40.475 10.295 5.784 238 HA3 GLY 30 HA1 GLY 30 40.921 9.802 4.150 239 H ARG 31 HN ARG 31 40.613 7.038 4.293 240 HA ARG 31 HA ARG 31 38.122 6.257 5.525 241 HB2 ARG 31 HB2 ARG 31 37.183 7.766 3.826 242 HB3 ARG 31 HB1 ARG 31 38.057 6.907 2.561 243 HG2 ARG 31 HG2 ARG 31 35.692 6.183 2.686 244 HG3 ARG 31 HG1 ARG 31 36.787 4.854 3.050 245 HD2 ARG 31 HD2 ARG 31 36.251 4.866 5.330 246 HD3 ARG 31 HD1 ARG 31 35.717 6.547 5.299 247 HE ARG 31 HE ARG 31 33.909 5.252 3.652 248 HH11 ARG 31 HH21 ARG 31 35.124 4.832 6.850 249 HH12 ARG 31 HH22 ARG 31 33.659 4.136 7.458 250 HH21 ARG 31 HH11 ARG 31 31.989 4.344 4.426 251 HH22 ARG 31 HH12 ARG 31 31.885 3.860 6.086 252 H ARG 32 HN ARG 32 37.805 4.083 5.369 253 HA ARG 32 HA ARG 32 40.011 2.490 4.274 254 HB2 ARG 32 HB2 ARG 32 39.237 0.801 5.668 255 HB3 ARG 32 HB1 ARG 32 38.567 2.196 6.503 256 HG2 ARG 32 HG2 ARG 32 36.459 1.842 5.077 257 HG3 ARG 32 HG1 ARG 32 37.140 0.269 4.661 258 HD2 ARG 32 HD2 ARG 32 37.314 -0.258 7.093 259 HD3 ARG 32 HD1 ARG 32 36.520 1.276 7.453 260 HE ARG 32 HE ARG 32 34.776 0.031 5.701 261 HH11 ARG 32 HH21 ARG 32 36.365 -0.789 8.649 262 HH12 ARG 32 HH22 ARG 32 35.098 -1.837 9.195 263 HH21 ARG 32 HH11 ARG 32 33.114 -1.333 6.396 264 HH22 ARG 32 HH12 ARG 32 33.258 -2.145 7.919 265 H VAL 33 HN VAL 33 39.787 0.961 2.558 266 HA VAL 33 HA VAL 33 37.190 0.978 1.062 267 HB VAL 33 HB VAL 33 39.925 1.591 -0.114 268 HG11 VAL 33 HG11 VAL 33 37.307 0.823 -1.429 269 HG12 VAL 33 HG12 VAL 33 38.885 0.065 -1.640 270 HG13 VAL 33 HG13 VAL 33 38.588 1.677 -2.291 271 HG21 VAL 33 HG21 VAL 33 38.557 3.561 -1.047 272 HG22 VAL 33 HG22 VAL 33 38.898 3.608 0.680 273 HG23 VAL 33 HG23 VAL 33 37.307 3.107 0.110 274 H GLU 34 HN GLU 34 36.699 -0.935 0.132 275 HA GLU 34 HA GLU 34 38.594 -3.203 0.595 276 HB2 GLU 34 HB2 GLU 34 36.233 -2.979 1.744 277 HB3 GLU 34 HB1 GLU 34 35.617 -3.511 0.180 278 HG2 GLU 34 HG2 GLU 34 37.361 -5.414 0.375 279 HG3 GLU 34 HG1 GLU 34 37.450 -4.967 2.078 280 H PHE 35 HN PHE 35 39.405 -4.167 -1.214 281 HA PHE 35 HA PHE 35 37.798 -4.046 -3.743 282 HB2 PHE 35 HB2 PHE 35 40.295 -4.129 -4.786 283 HB3 PHE 35 HB1 PHE 35 39.458 -2.621 -4.463 284 HD1 PHE 35 HD2 PHE 35 40.893 -4.801 -1.786 285 HD2 PHE 35 HD1 PHE 35 41.393 -1.270 -4.167 286 HE1 PHE 35 HE2 PHE 35 42.756 -4.109 -0.345 287 HE2 PHE 35 HE1 PHE 35 43.272 -0.569 -2.715 288 HZ PHE 35 HZ PHE 35 43.958 -1.990 -0.803 289 H THR 36 HN THR 36 37.911 -5.916 -5.079 290 HA THR 36 HA THR 36 38.849 -8.357 -3.642 291 HB THR 36 HB THR 36 37.471 -9.569 -5.315 292 HG1 THR 36 HG1 THR 36 36.498 -7.122 -6.245 293 HG21 THR 36 HG21 THR 36 35.779 -7.288 -4.326 294 HG22 THR 36 HG22 THR 36 36.510 -8.415 -3.183 295 HG23 THR 36 HG23 THR 36 35.388 -9.005 -4.409 296 H ALA 37 HN ALA 37 40.055 -10.037 -5.059 297 HA ALA 37 HA ALA 37 42.374 -8.977 -6.208 298 HB1 ALA 37 HB1 ALA 37 42.605 -11.143 -7.432 299 HB2 ALA 37 HB2 ALA 37 40.953 -11.544 -6.969 300 HB3 ALA 37 HB3 ALA 37 42.197 -11.359 -5.732 301 H THR 38 HN THR 38 39.243 -8.758 -7.489 302 HA THR 38 HA THR 38 39.730 -8.854 -10.290 303 HB THR 38 HB THR 38 37.716 -7.392 -10.479 304 HG1 THR 38 HG1 THR 38 36.806 -7.151 -8.155 305 HG21 THR 38 HG21 THR 38 36.205 -9.016 -9.736 306 HG22 THR 38 HG22 THR 38 37.144 -9.373 -8.287 307 HG23 THR 38 HG23 THR 38 37.698 -9.947 -9.862 308 H SER 39 HN SER 39 40.613 -6.508 -7.897 309 HA SER 39 HA SER 39 41.693 -4.724 -10.065 310 HB2 SER 39 HB2 SER 39 40.817 -3.592 -7.414 311 HB3 SER 39 HB1 SER 39 40.955 -2.794 -8.978 312 HG SER 39 HG SER 39 38.773 -3.507 -8.049 313 H VAL 40 HN VAL 40 43.355 -6.631 -9.176 314 HA VAL 40 HA VAL 40 44.832 -5.725 -6.801 315 HB VAL 40 HB VAL 40 44.690 -8.112 -7.182 316 HG11 VAL 40 HG11 VAL 40 44.448 -7.969 -9.696 317 HG12 VAL 40 HG12 VAL 40 45.614 -9.187 -9.178 318 HG13 VAL 40 HG13 VAL 40 46.179 -7.640 -9.800 319 HG21 VAL 40 HG21 VAL 40 46.854 -7.025 -6.307 320 HG22 VAL 40 HG22 VAL 40 47.516 -7.294 -7.920 321 HG23 VAL 40 HG23 VAL 40 47.016 -8.668 -6.937 322 H SER 41 HN SER 41 44.858 -4.850 -10.111 323 HA SER 41 HA SER 41 47.697 -4.317 -10.354 324 HB2 SER 41 HB2 SER 41 46.976 -2.952 -12.333 325 HB3 SER 41 HB1 SER 41 46.381 -4.609 -12.363 326 HG SER 41 HG SER 41 44.940 -2.506 -12.606 327 H ASP 42 HN ASP 42 44.845 -2.258 -9.711 328 HA ASP 42 HA ASP 42 46.199 0.215 -9.472 329 HB2 ASP 42 HB2 ASP 42 44.287 0.732 -7.787 330 HB3 ASP 42 HB1 ASP 42 43.836 0.312 -9.440 331 H LEU 43 HN LEU 43 45.943 -2.493 -7.139 332 HA LEU 43 HA LEU 43 46.963 -0.996 -4.906 333 HB2 LEU 43 HB2 LEU 43 45.789 -3.309 -4.920 334 HB3 LEU 43 HB1 LEU 43 47.372 -3.962 -5.323 335 HG LEU 43 HG LEU 43 48.314 -2.980 -3.245 336 HD11 LEU 43 HD11 LEU 43 46.314 -2.285 -1.569 337 HD12 LEU 43 HD12 LEU 43 45.555 -1.790 -3.081 338 HD13 LEU 43 HD13 LEU 43 47.105 -1.100 -2.603 339 HD21 LEU 43 HD21 LEU 43 47.319 -4.568 -1.755 340 HD22 LEU 43 HD22 LEU 43 47.196 -5.270 -3.369 341 HD23 LEU 43 HD23 LEU 43 45.784 -4.525 -2.621 342 H LYS 44 HN LYS 44 48.471 -2.876 -7.504 343 HA LYS 44 HA LYS 44 51.154 -2.750 -6.471 344 HB2 LYS 44 HB2 LYS 44 49.893 -3.303 -9.134 345 HB3 LYS 44 HB1 LYS 44 51.608 -2.898 -9.132 346 HG2 LYS 44 HG2 LYS 44 52.148 -4.748 -7.728 347 HG3 LYS 44 HG1 LYS 44 50.457 -5.027 -7.319 348 HD2 LYS 44 HD2 LYS 44 49.953 -5.828 -9.507 349 HD3 LYS 44 HD1 LYS 44 51.475 -5.219 -10.157 350 HE2 LYS 44 HE2 LYS 44 51.338 -7.340 -8.006 351 HE3 LYS 44 HE1 LYS 44 51.416 -7.720 -9.726 352 HZ1 LYS 44 HZ1 LYS 44 53.503 -6.957 -7.977 353 HZ2 LYS 44 HZ2 LYS 44 53.385 -5.841 -9.252 354 HZ3 LYS 44 HZ3 LYS 44 53.600 -7.492 -9.583 355 H LYS 45 HN LYS 45 49.382 -0.646 -8.763 356 HA LYS 45 HA LYS 45 51.553 1.163 -9.202 357 HB2 LYS 45 HB2 LYS 45 49.531 0.972 -10.633 358 HB3 LYS 45 HB1 LYS 45 48.571 1.688 -9.345 359 HG2 LYS 45 HG2 LYS 45 51.000 3.244 -10.126 360 HG3 LYS 45 HG1 LYS 45 49.747 3.148 -11.359 361 HD2 LYS 45 HD2 LYS 45 48.979 3.854 -8.531 362 HD3 LYS 45 HD1 LYS 45 49.675 5.090 -9.577 363 HE2 LYS 45 HE2 LYS 45 47.241 3.409 -10.249 364 HE3 LYS 45 HE1 LYS 45 47.196 5.079 -9.688 365 HZ1 LYS 45 HZ1 LYS 45 47.648 5.804 -11.719 366 HZ2 LYS 45 HZ2 LYS 45 47.440 4.217 -12.287 367 HZ3 LYS 45 HZ3 LYS 45 48.989 4.777 -11.870 368 H TYR 46 HN TYR 46 48.901 1.156 -6.837 369 HA TYR 46 HA TYR 46 49.352 3.718 -5.709 370 HB2 TYR 46 HB2 TYR 46 47.390 2.371 -5.157 371 HB3 TYR 46 HB1 TYR 46 48.412 1.154 -4.403 372 HD1 TYR 46 HD1 TYR 46 47.986 4.889 -4.226 373 HD2 TYR 46 HD2 TYR 46 48.454 1.201 -2.069 374 HE1 TYR 46 HE1 TYR 46 47.842 6.123 -2.082 375 HE2 TYR 46 HE2 TYR 46 48.309 2.434 0.074 376 HH TYR 46 HH TYR 46 48.714 5.674 0.359 377 H ILE 47 HN ILE 47 50.663 0.553 -4.671 378 HA ILE 47 HA ILE 47 52.346 1.503 -2.605 379 HB ILE 47 HB ILE 47 52.887 -0.771 -4.537 380 HG12 ILE 47 HG12 ILE 47 51.684 -1.071 -1.781 381 HG13 ILE 47 HG11 ILE 47 50.647 -0.688 -3.153 382 HG21 ILE 47 HG21 ILE 47 54.000 -0.041 -1.821 383 HG22 ILE 47 HG22 ILE 47 54.886 -0.305 -3.323 384 HG23 ILE 47 HG23 ILE 47 54.133 -1.667 -2.491 385 HD11 ILE 47 HD11 ILE 47 51.203 -3.222 -2.468 386 HD12 ILE 47 HD12 ILE 47 52.592 -2.931 -3.518 387 HD13 ILE 47 HD13 ILE 47 50.958 -2.741 -4.145 388 H ALA 48 HN ALA 48 52.983 1.133 -6.084 389 HA ALA 48 HA ALA 48 55.702 1.910 -6.054 390 HB1 ALA 48 HB1 ALA 48 55.354 2.497 -8.444 391 HB2 ALA 48 HB2 ALA 48 53.613 2.351 -8.205 392 HB3 ALA 48 HB3 ALA 48 54.648 0.934 -8.036 393 H GLU 49 HN GLU 49 52.752 3.883 -6.310 394 HA GLU 49 HA GLU 49 53.994 6.382 -6.800 395 HB2 GLU 49 HB2 GLU 49 51.425 5.643 -5.387 396 HB3 GLU 49 HB1 GLU 49 51.910 7.321 -5.637 397 HG2 GLU 49 HG2 GLU 49 51.999 6.974 -8.053 398 HG3 GLU 49 HG1 GLU 49 51.621 5.263 -7.846 399 H LEU 50 HN LEU 50 53.713 4.533 -3.823 400 HA LEU 50 HA LEU 50 54.417 6.795 -2.116 401 HB2 LEU 50 HB2 LEU 50 54.639 3.848 -1.457 402 HB3 LEU 50 HB1 LEU 50 54.548 5.188 -0.319 403 HG LEU 50 HG LEU 50 52.369 4.315 -2.240 404 HD11 LEU 50 HD11 LEU 50 52.334 4.369 0.785 405 HD12 LEU 50 HD12 LEU 50 52.831 2.944 -0.128 406 HD13 LEU 50 HD13 LEU 50 51.193 3.574 -0.299 407 HD21 LEU 50 HD21 LEU 50 52.667 6.707 -0.417 408 HD22 LEU 50 HD22 LEU 50 51.069 6.060 -0.785 409 HD23 LEU 50 HD23 LEU 50 52.097 6.653 -2.086 410 H GLU 51 HN GLU 51 56.211 4.212 -3.754 411 HA GLU 51 HA GLU 51 58.673 4.603 -2.350 412 HB2 GLU 51 HB2 GLU 51 57.748 2.965 -4.467 413 HB3 GLU 51 HB1 GLU 51 59.086 3.869 -5.162 414 HG2 GLU 51 HG2 GLU 51 59.199 2.285 -2.577 415 HG3 GLU 51 HG1 GLU 51 59.839 1.745 -4.129 416 H VAL 52 HN VAL 52 57.159 6.301 -5.029 417 HA VAL 52 HA VAL 52 59.552 7.874 -5.632 418 HB VAL 52 HB VAL 52 56.679 8.428 -6.434 419 HG11 VAL 52 HG11 VAL 52 58.075 10.341 -6.845 420 HG12 VAL 52 HG12 VAL 52 57.895 9.515 -8.392 421 HG13 VAL 52 HG13 VAL 52 59.382 9.331 -7.463 422 HG21 VAL 52 HG21 VAL 52 57.167 6.219 -7.220 423 HG22 VAL 52 HG22 VAL 52 58.813 6.668 -7.668 424 HG23 VAL 52 HG23 VAL 52 57.448 7.287 -8.596 425 H GLN 53 HN GLN 53 56.735 8.158 -3.553 426 HA GLN 53 HA GLN 53 57.142 10.992 -3.016 427 HB2 GLN 53 HB2 GLN 53 54.904 10.095 -2.808 428 HB3 GLN 53 HB1 GLN 53 55.457 8.854 -1.682 429 HG2 GLN 53 HG2 GLN 53 55.905 10.450 0.017 430 HG3 GLN 53 HG1 GLN 53 55.775 11.799 -1.110 431 HE21 GLN 53 HE21 GLN 53 53.982 12.867 -0.091 432 HE22 GLN 53 HE22 GLN 53 52.439 12.167 0.017 433 H THR 54 HN THR 54 58.159 7.931 -1.606 434 HA THR 54 HA THR 54 59.226 9.220 0.814 435 HB THR 54 HB THR 54 60.312 6.795 0.988 436 HG1 THR 54 HG1 THR 54 59.556 6.497 -1.297 437 HG21 THR 54 HG21 THR 54 58.463 7.679 2.406 438 HG22 THR 54 HG22 THR 54 58.265 5.969 2.026 439 HG23 THR 54 HG23 THR 54 57.308 7.180 1.170 440 H GLY 55 HN GLY 55 60.173 9.945 -1.979 441 HA2 GLY 55 HA2 GLY 55 62.862 10.486 -1.421 442 HA3 GLY 55 HA1 GLY 55 62.843 8.962 -2.306 443 H MET 56 HN MET 56 61.088 12.077 -2.575 444 HA MET 56 HA MET 56 61.057 11.865 -5.485 445 HB2 MET 56 HB2 MET 56 59.245 12.974 -4.130 446 HB3 MET 56 HB1 MET 56 60.384 14.273 -3.773 447 HG2 MET 56 HG2 MET 56 60.610 14.793 -6.137 448 HG3 MET 56 HG1 MET 56 59.607 13.410 -6.573 449 HE1 MET 56 HE1 MET 56 57.153 13.115 -5.308 450 HE2 MET 56 HE2 MET 56 57.297 13.497 -7.022 451 HE3 MET 56 HE3 MET 56 56.095 14.328 -6.039 452 H THR 57 HN THR 57 62.840 13.780 -3.079 453 HA THR 57 HA THR 57 64.864 14.408 -5.186 454 HB THR 57 HB THR 57 64.981 16.723 -4.500 455 HG1 THR 57 HG1 THR 57 63.229 17.333 -2.918 456 HG21 THR 57 HG21 THR 57 62.046 16.024 -4.743 457 HG22 THR 57 HG22 THR 57 63.162 16.024 -6.108 458 HG23 THR 57 HG23 THR 57 62.832 17.522 -5.239 459 H GLN 58 HN GLN 58 64.109 14.617 -1.693 460 HA GLN 58 HA GLN 58 66.449 13.119 -0.959 461 HB2 GLN 58 HB2 GLN 58 67.683 14.974 0.163 462 HB3 GLN 58 HB1 GLN 58 67.640 15.154 -1.590 463 HG2 GLN 58 HG2 GLN 58 65.767 16.734 -1.401 464 HG3 GLN 58 HG1 GLN 58 65.767 16.540 0.352 465 HE21 GLN 58 HE21 GLN 58 67.796 17.698 -2.368 466 HE22 GLN 58 HE22 GLN 58 68.737 18.748 -1.424 467 H ARG 59 HN ARG 59 66.875 14.041 1.612 468 HA ARG 59 HA ARG 59 64.421 14.681 2.992 469 HB2 ARG 59 HB2 ARG 59 63.955 12.528 4.007 470 HB3 ARG 59 HB1 ARG 59 63.970 12.317 2.255 471 HG2 ARG 59 HG2 ARG 59 66.424 11.655 2.487 472 HG3 ARG 59 HG1 ARG 59 66.143 11.576 4.226 473 HD2 ARG 59 HD2 ARG 59 64.337 9.933 3.862 474 HD3 ARG 59 HD1 ARG 59 64.622 10.007 2.123 475 HE ARG 59 HE ARG 59 67.099 9.344 3.162 476 HH11 ARG 59 HH21 ARG 59 63.878 8.147 3.433 477 HH12 ARG 59 HH22 ARG 59 64.367 6.503 3.675 478 HH21 ARG 59 HH11 ARG 59 67.757 7.205 3.478 479 HH22 ARG 59 HH12 ARG 59 66.563 5.970 3.701 480 H ARG 60 HN ARG 60 64.775 14.129 5.467 481 HA ARG 60 HA ARG 60 67.500 13.815 6.375 482 HB2 ARG 60 HB2 ARG 60 67.424 16.195 5.388 483 HB3 ARG 60 HB1 ARG 60 66.364 16.594 6.736 484 HG2 ARG 60 HG2 ARG 60 68.431 17.138 7.661 485 HG3 ARG 60 HG1 ARG 60 68.283 15.462 8.185 486 HD2 ARG 60 HD2 ARG 60 69.628 14.736 6.237 487 HD3 ARG 60 HD1 ARG 60 69.767 16.413 5.711 488 HE ARG 60 HE ARG 60 70.738 16.447 8.308 489 HH11 ARG 60 HH21 ARG 60 71.344 14.654 5.426 490 HH12 ARG 60 HH22 ARG 60 73.016 14.386 5.786 491 HH21 ARG 60 HH11 ARG 60 72.919 16.107 8.795 492 HH22 ARG 60 HH12 ARG 60 73.908 15.208 7.693 493 H ARG 61 HN ARG 61 64.387 15.368 7.196 494 HA ARG 61 HA ARG 61 64.559 14.954 10.009 495 HB2 ARG 61 HB2 ARG 61 62.026 14.932 8.342 496 HB3 ARG 61 HB1 ARG 61 62.164 15.338 10.050 497 HG2 ARG 61 HG2 ARG 61 63.556 16.881 7.840 498 HG3 ARG 61 HG1 ARG 61 61.996 17.340 8.518 499 HD2 ARG 61 HD2 ARG 61 63.183 17.279 10.814 500 HD3 ARG 61 HD1 ARG 61 64.685 17.276 9.890 501 HE ARG 61 HE ARG 61 63.271 19.396 8.818 502 HH11 ARG 61 HH21 ARG 61 64.203 18.362 11.973 503 HH12 ARG 61 HH22 ARG 61 64.330 19.969 12.607 504 HH21 ARG 61 HH11 ARG 61 63.434 21.500 9.628 505 HH22 ARG 61 HH12 ARG 61 63.895 21.746 11.279 506 H GLY 62 HN GLY 62 64.687 13.036 11.055 507 HA2 GLY 62 HA2 GLY 62 64.272 10.506 9.792 508 HA3 GLY 62 HA1 GLY 62 64.409 10.754 11.533 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 59.687 9.015 11.334 2 H2 MET 1 HT2 MET 1 58.586 10.177 10.763 3 H3 MET 1 HT3 MET 1 60.170 10.130 10.149 4 HA MET 1 HA MET 1 58.783 9.156 8.514 5 HB2 MET 1 HB2 MET 1 60.196 7.031 10.154 6 HB3 MET 1 HB1 MET 1 59.667 6.832 8.484 7 HG2 MET 1 HG2 MET 1 61.532 9.048 9.361 8 HG3 MET 1 HG1 MET 1 62.108 7.488 8.775 9 HE1 MET 1 HE1 MET 1 60.986 6.409 6.576 10 HE2 MET 1 HE2 MET 1 62.630 7.029 6.442 11 HE3 MET 1 HE3 MET 1 61.475 7.328 5.146 12 H VAL 2 HN VAL 2 56.853 8.144 8.036 13 HA VAL 2 HA VAL 2 55.525 6.471 10.095 14 HB VAL 2 HB VAL 2 54.168 8.890 8.865 15 HG11 VAL 2 HG11 VAL 2 52.471 8.313 10.678 16 HG12 VAL 2 HG12 VAL 2 53.333 6.786 10.875 17 HG13 VAL 2 HG13 VAL 2 52.564 7.174 9.336 18 HG21 VAL 2 HG21 VAL 2 55.357 8.421 11.614 19 HG22 VAL 2 HG22 VAL 2 54.211 9.715 11.267 20 HG23 VAL 2 HG23 VAL 2 55.781 9.692 10.467 21 H ARG 3 HN ARG 3 55.316 7.943 6.851 22 HA ARG 3 HA ARG 3 53.349 6.317 5.704 23 HB2 ARG 3 HB2 ARG 3 55.937 7.297 4.458 24 HB3 ARG 3 HB1 ARG 3 54.573 6.642 3.548 25 HG2 ARG 3 HG2 ARG 3 53.115 8.418 4.464 26 HG3 ARG 3 HG1 ARG 3 54.490 9.083 5.347 27 HD2 ARG 3 HD2 ARG 3 55.663 9.558 3.273 28 HD3 ARG 3 HD1 ARG 3 54.407 8.749 2.335 29 HE ARG 3 HE ARG 3 53.033 10.722 3.711 30 HH11 ARG 3 HH21 ARG 3 55.809 10.565 1.672 31 HH12 ARG 3 HH22 ARG 3 55.587 12.156 1.023 32 HH21 ARG 3 HH11 ARG 3 52.728 12.800 2.876 33 HH22 ARG 3 HH12 ARG 3 53.843 13.421 1.706 34 H GLN 4 HN GLN 4 56.740 5.558 6.359 35 HA GLN 4 HA GLN 4 57.010 3.163 4.931 36 HB2 GLN 4 HB2 GLN 4 58.827 2.646 6.340 37 HB3 GLN 4 HB1 GLN 4 58.733 4.402 6.411 38 HG2 GLN 4 HG2 GLN 4 58.924 3.860 8.678 39 HG3 GLN 4 HG1 GLN 4 57.176 3.966 8.495 40 HE21 GLN 4 HE21 GLN 4 57.942 2.408 10.589 41 HE22 GLN 4 HE22 GLN 4 57.797 0.757 10.228 42 H GLU 5 HN GLU 5 55.291 3.763 7.947 43 HA GLU 5 HA GLU 5 54.826 0.960 8.538 44 HB2 GLU 5 HB2 GLU 5 54.762 2.930 10.182 45 HB3 GLU 5 HB1 GLU 5 53.170 3.293 9.518 46 HG2 GLU 5 HG2 GLU 5 53.910 0.575 10.635 47 HG3 GLU 5 HG1 GLU 5 53.158 1.842 11.600 48 H GLU 6 HN GLU 6 52.752 3.561 7.190 49 HA GLU 6 HA GLU 6 50.463 1.949 6.794 50 HB2 GLU 6 HB2 GLU 6 50.328 4.369 6.590 51 HB3 GLU 6 HB1 GLU 6 51.415 4.359 5.202 52 HG2 GLU 6 HG2 GLU 6 49.814 3.156 3.864 53 HG3 GLU 6 HG1 GLU 6 48.775 2.886 5.262 54 H LEU 7 HN LEU 7 53.499 1.921 5.122 55 HA LEU 7 HA LEU 7 52.449 0.737 2.671 56 HB2 LEU 7 HB2 LEU 7 54.722 2.036 3.141 57 HB3 LEU 7 HB1 LEU 7 55.318 0.429 3.539 58 HG LEU 7 HG LEU 7 53.939 1.150 0.931 59 HD11 LEU 7 HD11 LEU 7 56.077 2.305 1.078 60 HD12 LEU 7 HD12 LEU 7 56.242 0.939 -0.026 61 HD13 LEU 7 HD13 LEU 7 56.875 0.827 1.615 62 HD21 LEU 7 HD21 LEU 7 55.264 -1.341 2.020 63 HD22 LEU 7 HD22 LEU 7 55.117 -1.070 0.285 64 HD23 LEU 7 HD23 LEU 7 53.672 -1.179 1.283 65 H ALA 8 HN ALA 8 54.240 -0.468 5.514 66 HA ALA 8 HA ALA 8 54.355 -3.188 4.796 67 HB1 ALA 8 HB1 ALA 8 54.466 -3.650 7.236 68 HB2 ALA 8 HB2 ALA 8 53.967 -1.990 7.558 69 HB3 ALA 8 HB3 ALA 8 55.513 -2.311 6.771 70 H ALA 9 HN ALA 9 51.630 -1.282 5.860 71 HA ALA 9 HA ALA 9 49.964 -3.552 6.595 72 HB1 ALA 9 HB1 ALA 9 49.394 -1.479 7.621 73 HB2 ALA 9 HB2 ALA 9 48.116 -1.781 6.445 74 HB3 ALA 9 HB3 ALA 9 49.398 -0.628 6.076 75 H ALA 10 HN ALA 10 49.839 -1.251 3.824 76 HA ALA 10 HA ALA 10 47.879 -2.709 2.370 77 HB1 ALA 10 HB1 ALA 10 48.274 -0.578 1.487 78 HB2 ALA 10 HB2 ALA 10 49.127 -1.597 0.327 79 HB3 ALA 10 HB3 ALA 10 50.024 -0.753 1.590 80 H ARG 11 HN ARG 11 51.312 -3.139 2.781 81 HA ARG 11 HA ARG 11 51.731 -5.011 0.637 82 HB2 ARG 11 HB2 ARG 11 53.399 -3.720 2.294 83 HB3 ARG 11 HB1 ARG 11 53.265 -5.204 3.230 84 HG2 ARG 11 HG2 ARG 11 55.028 -5.814 1.873 85 HG3 ARG 11 HG1 ARG 11 53.712 -6.319 0.820 86 HD2 ARG 11 HD2 ARG 11 53.887 -3.770 0.011 87 HD3 ARG 11 HD1 ARG 11 55.543 -3.959 0.576 88 HE ARG 11 HE ARG 11 54.531 -4.934 -1.886 89 HH11 ARG 11 HH21 ARG 11 56.328 -6.079 0.832 90 HH12 ARG 11 HH22 ARG 11 56.945 -7.461 -0.001 91 HH21 ARG 11 HH11 ARG 11 55.350 -6.714 -2.980 92 HH22 ARG 11 HH12 ARG 11 56.403 -7.816 -2.157 93 H ALA 12 HN ALA 12 51.064 -5.425 4.173 94 HA ALA 12 HA ALA 12 51.004 -8.231 4.223 95 HB1 ALA 12 HB1 ALA 12 49.486 -8.016 6.165 96 HB2 ALA 12 HB2 ALA 12 49.209 -6.325 5.745 97 HB3 ALA 12 HB3 ALA 12 50.811 -6.856 6.260 98 H ALA 13 HN ALA 13 48.930 -6.058 2.698 99 HA ALA 13 HA ALA 13 46.628 -7.836 2.520 100 HB1 ALA 13 HB1 ALA 13 45.583 -6.141 1.280 101 HB2 ALA 13 HB2 ALA 13 47.109 -5.533 0.636 102 HB3 ALA 13 HB3 ALA 13 46.680 -5.229 2.319 103 H LEU 14 HN LEU 14 49.391 -6.979 0.412 104 HA LEU 14 HA LEU 14 48.455 -8.419 -1.851 105 HB2 LEU 14 HB2 LEU 14 50.897 -7.099 -1.164 106 HB3 LEU 14 HB1 LEU 14 51.326 -8.682 -1.775 107 HG LEU 14 HG LEU 14 49.423 -6.820 -3.232 108 HD11 LEU 14 HD11 LEU 14 51.278 -6.126 -4.608 109 HD12 LEU 14 HD12 LEU 14 52.379 -7.206 -3.752 110 HD13 LEU 14 HD13 LEU 14 51.697 -5.804 -2.929 111 HD21 LEU 14 HD21 LEU 14 51.117 -9.024 -4.400 112 HD22 LEU 14 HD22 LEU 14 49.627 -8.317 -5.028 113 HD23 LEU 14 HD23 LEU 14 49.570 -9.399 -3.639 114 H HIS 15 HN HIS 15 49.957 -9.505 1.113 115 HA HIS 15 HA HIS 15 50.482 -12.199 0.118 116 HB2 HIS 15 HB2 HIS 15 51.749 -11.215 2.020 117 HB3 HIS 15 HB1 HIS 15 50.264 -11.191 2.972 118 HD1 HIS 15 HD1 HIS 15 51.643 -13.944 0.721 119 HD2 HIS 15 HD2 HIS 15 50.569 -13.331 4.702 120 HE1 HIS 15 HE1 HIS 15 51.873 -16.185 1.879 121 H ASP 16 HN ASP 16 47.860 -10.538 1.761 122 HA ASP 16 HA ASP 16 46.375 -12.955 2.396 123 HB2 ASP 16 HB2 ASP 16 45.381 -10.101 2.204 124 HB3 ASP 16 HB1 ASP 16 44.598 -11.432 3.053 125 H LEU 17 HN LEU 17 46.784 -11.074 -0.462 126 HA LEU 17 HA LEU 17 44.211 -12.005 -1.626 127 HB2 LEU 17 HB2 LEU 17 46.379 -10.197 -2.741 128 HB3 LEU 17 HB1 LEU 17 44.881 -10.586 -3.567 129 HG LEU 17 HG LEU 17 44.934 -9.374 -0.792 130 HD11 LEU 17 HD11 LEU 17 44.588 -7.879 -3.404 131 HD12 LEU 17 HD12 LEU 17 46.091 -7.903 -2.486 132 HD13 LEU 17 HD13 LEU 17 44.641 -7.191 -1.784 133 HD21 LEU 17 HD21 LEU 17 42.618 -8.575 -1.716 134 HD22 LEU 17 HD22 LEU 17 42.784 -10.245 -1.189 135 HD23 LEU 17 HD23 LEU 17 42.832 -9.854 -2.905 136 H MET 18 HN MET 18 47.608 -12.782 -1.698 137 HA MET 18 HA MET 18 47.306 -14.426 -4.143 138 HB2 MET 18 HB2 MET 18 49.524 -13.215 -2.649 139 HB3 MET 18 HB1 MET 18 49.865 -14.898 -3.033 140 HG2 MET 18 HG2 MET 18 50.681 -13.523 -4.853 141 HG3 MET 18 HG1 MET 18 49.267 -14.406 -5.427 142 HE1 MET 18 HE1 MET 18 48.776 -12.641 -7.488 143 HE2 MET 18 HE2 MET 18 50.402 -12.246 -6.936 144 HE3 MET 18 HE3 MET 18 49.242 -10.953 -7.236 145 H THR 19 HN THR 19 46.786 -14.802 -0.823 146 HA THR 19 HA THR 19 47.603 -17.648 -0.756 147 HB THR 19 HB THR 19 46.493 -17.443 1.599 148 HG1 THR 19 HG1 THR 19 46.686 -14.746 0.751 149 HG21 THR 19 HG21 THR 19 48.525 -16.393 2.497 150 HG22 THR 19 HG22 THR 19 48.919 -15.762 0.897 151 HG23 THR 19 HG23 THR 19 48.932 -17.502 1.188 152 H GLY 20 HN GLY 20 44.944 -15.943 -1.869 153 HA2 GLY 20 HA2 GLY 20 43.226 -17.465 -2.948 154 HA3 GLY 20 HA1 GLY 20 43.105 -18.278 -1.391 155 H LYS 21 HN LYS 21 42.989 -16.159 0.386 156 HA LYS 21 HA LYS 21 40.293 -15.384 0.306 157 HB2 LYS 21 HB2 LYS 21 42.509 -13.740 1.559 158 HB3 LYS 21 HB1 LYS 21 40.815 -13.800 2.048 159 HG2 LYS 21 HG2 LYS 21 41.234 -16.351 2.390 160 HG3 LYS 21 HG1 LYS 21 42.944 -15.915 2.370 161 HD2 LYS 21 HD2 LYS 21 42.414 -14.201 4.168 162 HD3 LYS 21 HD1 LYS 21 40.817 -14.937 4.288 163 HE2 LYS 21 HE2 LYS 21 42.293 -15.921 5.969 164 HE3 LYS 21 HE1 LYS 21 41.896 -17.133 4.750 165 HZ1 LYS 21 HZ1 LYS 21 43.988 -17.116 3.911 166 HZ2 LYS 21 HZ2 LYS 21 44.362 -16.683 5.511 167 HZ3 LYS 21 HZ3 LYS 21 44.271 -15.490 4.305 168 H ARG 22 HN ARG 22 39.318 -14.181 -1.243 169 HA ARG 22 HA ARG 22 40.878 -12.360 -2.903 170 HB2 ARG 22 HB2 ARG 22 39.114 -13.922 -3.786 171 HB3 ARG 22 HB1 ARG 22 37.909 -12.927 -2.971 172 HG2 ARG 22 HG2 ARG 22 38.826 -10.946 -4.241 173 HG3 ARG 22 HG1 ARG 22 39.796 -12.080 -5.177 174 HD2 ARG 22 HD2 ARG 22 36.796 -11.809 -5.079 175 HD3 ARG 22 HD1 ARG 22 37.855 -11.810 -6.489 176 HE ARG 22 HE ARG 22 38.225 -14.323 -5.389 177 HH11 ARG 22 HH21 ARG 22 35.541 -12.394 -6.371 178 HH12 ARG 22 HH22 ARG 22 34.561 -13.750 -6.819 179 HH21 ARG 22 HH11 ARG 22 36.960 -16.105 -5.968 180 HH22 ARG 22 HH12 ARG 22 35.364 -15.851 -6.591 181 H VAL 23 HN VAL 23 38.243 -12.111 -0.520 182 HA VAL 23 HA VAL 23 38.002 -9.208 -0.902 183 HB VAL 23 HB VAL 23 36.139 -10.761 -0.160 184 HG11 VAL 23 HG11 VAL 23 36.056 -11.518 2.110 185 HG12 VAL 23 HG12 VAL 23 37.463 -10.553 2.557 186 HG13 VAL 23 HG13 VAL 23 37.656 -11.964 1.515 187 HG21 VAL 23 HG21 VAL 23 36.875 -8.357 1.534 188 HG22 VAL 23 HG22 VAL 23 35.287 -9.124 1.565 189 HG23 VAL 23 HG23 VAL 23 35.875 -8.369 0.081 190 H ALA 24 HN ALA 24 39.048 -7.625 0.202 191 HA ALA 24 HA ALA 24 40.421 -8.221 2.761 192 HB1 ALA 24 HB1 ALA 24 41.875 -7.130 0.335 193 HB2 ALA 24 HB2 ALA 24 42.139 -8.710 1.072 194 HB3 ALA 24 HB3 ALA 24 42.553 -7.243 1.958 195 H THR 25 HN THR 25 40.899 -6.290 3.957 196 HA THR 25 HA THR 25 39.523 -3.813 2.917 197 HB THR 25 HB THR 25 39.863 -4.685 5.802 198 HG1 THR 25 HG1 THR 25 37.342 -4.629 4.952 199 HG21 THR 25 HG21 THR 25 38.055 -2.932 6.099 200 HG22 THR 25 HG22 THR 25 38.363 -2.448 4.431 201 HG23 THR 25 HG23 THR 25 39.639 -2.309 5.639 202 H VAL 26 HN VAL 26 40.537 -1.783 3.454 203 HA VAL 26 HA VAL 26 43.226 -1.890 4.690 204 HB VAL 26 HB VAL 26 43.367 -2.193 2.118 205 HG11 VAL 26 HG11 VAL 26 42.923 0.798 2.140 206 HG12 VAL 26 HG12 VAL 26 41.631 -0.337 1.750 207 HG13 VAL 26 HG13 VAL 26 43.081 -0.271 0.749 208 HG21 VAL 26 HG21 VAL 26 45.328 -0.657 2.004 209 HG22 VAL 26 HG22 VAL 26 45.303 -1.605 3.491 210 HG23 VAL 26 HG23 VAL 26 44.803 0.086 3.515 211 H GLN 27 HN GLN 27 43.401 -0.243 6.071 212 HA GLN 27 HA GLN 27 41.404 1.917 6.036 213 HB2 GLN 27 HB2 GLN 27 43.649 1.145 7.910 214 HB3 GLN 27 HB1 GLN 27 42.753 2.651 8.107 215 HG2 GLN 27 HG2 GLN 27 40.661 1.439 8.332 216 HG3 GLN 27 HG1 GLN 27 41.462 -0.089 7.965 217 HE21 GLN 27 HE21 GLN 27 42.137 2.651 10.234 218 HE22 GLN 27 HE22 GLN 27 42.397 1.653 11.582 219 H LYS 28 HN LYS 28 41.771 3.666 4.758 220 HA LYS 28 HA LYS 28 44.592 4.478 4.195 221 HB2 LYS 28 HB2 LYS 28 43.018 3.956 2.248 222 HB3 LYS 28 HB1 LYS 28 42.113 5.401 2.710 223 HG2 LYS 28 HG2 LYS 28 44.236 6.721 2.521 224 HG3 LYS 28 HG1 LYS 28 45.031 5.274 1.902 225 HD2 LYS 28 HD2 LYS 28 43.626 5.214 -0.033 226 HD3 LYS 28 HD1 LYS 28 42.529 6.419 0.643 227 HE2 LYS 28 HE2 LYS 28 45.439 6.950 -0.017 228 HE3 LYS 28 HE1 LYS 28 44.092 7.359 -1.079 229 HZ1 LYS 28 HZ1 LYS 28 43.830 9.220 0.061 230 HZ2 LYS 28 HZ2 LYS 28 45.082 8.792 1.126 231 HZ3 LYS 28 HZ3 LYS 28 43.482 8.325 1.459 232 H ASP 29 HN ASP 29 45.173 6.703 4.644 233 HA ASP 29 HA ASP 29 43.945 7.973 6.835 234 HB2 ASP 29 HB2 ASP 29 46.248 8.454 5.873 235 HB3 ASP 29 HB1 ASP 29 45.443 9.418 4.635 236 H GLY 30 HN GLY 30 41.654 7.932 6.373 237 HA2 GLY 30 HA2 GLY 30 40.293 10.160 5.779 238 HA3 GLY 30 HA1 GLY 30 40.676 9.622 4.142 239 H ARG 31 HN ARG 31 40.390 6.878 4.327 240 HA ARG 31 HA ARG 31 37.998 6.077 5.722 241 HB2 ARG 31 HB2 ARG 31 36.943 7.570 4.061 242 HB3 ARG 31 HB1 ARG 31 37.713 6.668 2.759 243 HG2 ARG 31 HG2 ARG 31 35.370 5.953 3.079 244 HG3 ARG 31 HG1 ARG 31 36.485 4.634 3.423 245 HD2 ARG 31 HD2 ARG 31 36.089 4.724 5.724 246 HD3 ARG 31 HD1 ARG 31 35.596 6.418 5.678 247 HE ARG 31 HE ARG 31 33.643 5.124 4.203 248 HH11 ARG 31 HH21 ARG 31 35.072 4.770 7.321 249 HH12 ARG 31 HH22 ARG 31 33.637 4.134 8.053 250 HH21 ARG 31 HH11 ARG 31 31.762 4.295 5.140 251 HH22 ARG 31 HH12 ARG 31 31.762 3.864 6.818 252 H ARG 32 HN ARG 32 37.633 3.904 5.540 253 HA ARG 32 HA ARG 32 39.809 2.311 4.368 254 HB2 ARG 32 HB2 ARG 32 39.103 0.631 5.809 255 HB3 ARG 32 HB1 ARG 32 38.492 2.037 6.669 256 HG2 ARG 32 HG2 ARG 32 36.299 1.697 5.398 257 HG3 ARG 32 HG1 ARG 32 36.939 0.127 4.913 258 HD2 ARG 32 HD2 ARG 32 35.596 -0.165 6.921 259 HD3 ARG 32 HD1 ARG 32 37.292 -0.421 7.331 260 HE ARG 32 HE ARG 32 36.887 2.270 7.848 261 HH11 ARG 32 HH21 ARG 32 35.373 -0.700 8.725 262 HH12 ARG 32 HH22 ARG 32 34.847 -0.129 10.274 263 HH21 ARG 32 HH11 ARG 32 36.210 3.033 9.866 264 HH22 ARG 32 HH12 ARG 32 35.321 1.984 10.919 265 H VAL 33 HN VAL 33 39.501 0.753 2.678 266 HA VAL 33 HA VAL 33 36.820 0.694 1.355 267 HB VAL 33 HB VAL 33 39.414 1.416 -0.053 268 HG11 VAL 33 HG11 VAL 33 36.674 0.658 -1.104 269 HG12 VAL 33 HG12 VAL 33 38.219 -0.099 -1.489 270 HG13 VAL 33 HG13 VAL 33 37.862 1.525 -2.076 271 HG21 VAL 33 HG21 VAL 33 38.480 3.406 0.872 272 HG22 VAL 33 HG22 VAL 33 36.830 2.884 0.535 273 HG23 VAL 33 HG23 VAL 33 37.886 3.378 -0.786 274 H GLU 34 HN GLU 34 36.396 -1.181 0.278 275 HA GLU 34 HA GLU 34 38.231 -3.439 0.858 276 HB2 GLU 34 HB2 GLU 34 35.677 -3.245 1.462 277 HB3 GLU 34 HB1 GLU 34 35.423 -3.702 -0.221 278 HG2 GLU 34 HG2 GLU 34 37.122 -5.266 1.743 279 HG3 GLU 34 HG1 GLU 34 35.453 -5.656 1.334 280 H PHE 35 HN PHE 35 39.436 -4.319 -0.766 281 HA PHE 35 HA PHE 35 38.550 -3.909 -3.612 282 HB2 PHE 35 HB2 PHE 35 41.259 -3.843 -2.298 283 HB3 PHE 35 HB1 PHE 35 41.150 -4.392 -3.966 284 HD1 PHE 35 HD2 PHE 35 39.448 -2.804 -5.440 285 HD2 PHE 35 HD1 PHE 35 41.765 -1.587 -2.036 286 HE1 PHE 35 HE2 PHE 35 39.374 -0.455 -6.227 287 HE2 PHE 35 HE1 PHE 35 41.705 0.757 -2.826 288 HZ PHE 35 HZ PHE 35 40.503 1.327 -4.921 289 H THR 36 HN THR 36 38.606 -5.738 -4.955 290 HA THR 36 HA THR 36 39.078 -8.368 -3.580 291 HB THR 36 HB THR 36 37.524 -9.316 -5.228 292 HG1 THR 36 HG1 THR 36 38.150 -7.760 -6.878 293 HG21 THR 36 HG21 THR 36 35.521 -8.371 -4.404 294 HG22 THR 36 HG22 THR 36 36.248 -6.775 -4.223 295 HG23 THR 36 HG23 THR 36 36.702 -8.081 -3.126 296 H ALA 37 HN ALA 37 40.118 -10.083 -5.098 297 HA ALA 37 HA ALA 37 42.487 -9.089 -6.282 298 HB1 ALA 37 HB1 ALA 37 42.748 -11.270 -7.343 299 HB2 ALA 37 HB2 ALA 37 41.042 -11.629 -7.085 300 HB3 ALA 37 HB3 ALA 37 42.134 -11.484 -5.708 301 H THR 38 HN THR 38 39.326 -8.831 -7.487 302 HA THR 38 HA THR 38 39.771 -9.021 -10.298 303 HB THR 38 HB THR 38 37.745 -7.629 -10.532 304 HG1 THR 38 HG1 THR 38 38.482 -6.956 -7.965 305 HG21 THR 38 HG21 THR 38 37.160 -9.359 -8.150 306 HG22 THR 38 HG22 THR 38 37.765 -10.124 -9.622 307 HG23 THR 38 HG23 THR 38 36.265 -9.199 -9.659 308 H SER 39 HN SER 39 40.607 -6.561 -7.979 309 HA SER 39 HA SER 39 41.707 -4.868 -10.205 310 HB2 SER 39 HB2 SER 39 41.135 -2.878 -8.914 311 HB3 SER 39 HB1 SER 39 39.681 -3.836 -9.181 312 HG SER 39 HG SER 39 40.871 -3.126 -6.871 313 H VAL 40 HN VAL 40 43.388 -6.702 -9.191 314 HA VAL 40 HA VAL 40 44.788 -5.666 -6.824 315 HB VAL 40 HB VAL 40 44.728 -8.067 -7.120 316 HG11 VAL 40 HG11 VAL 40 46.250 -7.638 -9.727 317 HG12 VAL 40 HG12 VAL 40 44.530 -8.022 -9.642 318 HG13 VAL 40 HG13 VAL 40 45.725 -9.182 -9.061 319 HG21 VAL 40 HG21 VAL 40 47.058 -8.539 -6.799 320 HG22 VAL 40 HG22 VAL 40 46.844 -6.872 -6.253 321 HG23 VAL 40 HG23 VAL 40 47.544 -7.201 -7.837 322 H SER 41 HN SER 41 44.849 -4.892 -10.150 323 HA SER 41 HA SER 41 47.672 -4.306 -10.393 324 HB2 SER 41 HB2 SER 41 46.968 -3.034 -12.411 325 HB3 SER 41 HB1 SER 41 46.305 -4.666 -12.380 326 HG SER 41 HG SER 41 44.348 -3.877 -12.003 327 H ASP 42 HN ASP 42 44.794 -2.269 -9.761 328 HA ASP 42 HA ASP 42 46.134 0.218 -9.602 329 HB2 ASP 42 HB2 ASP 42 44.238 1.010 -8.336 330 HB3 ASP 42 HB1 ASP 42 43.632 -0.150 -9.517 331 H LEU 43 HN LEU 43 45.860 -2.392 -7.159 332 HA LEU 43 HA LEU 43 46.931 -0.856 -4.992 333 HB2 LEU 43 HB2 LEU 43 45.764 -3.175 -4.946 334 HB3 LEU 43 HB1 LEU 43 47.347 -3.829 -5.344 335 HG LEU 43 HG LEU 43 48.296 -2.784 -3.299 336 HD11 LEU 43 HD11 LEU 43 45.527 -1.624 -3.143 337 HD12 LEU 43 HD12 LEU 43 47.070 -0.908 -2.686 338 HD13 LEU 43 HD13 LEU 43 46.301 -2.079 -1.624 339 HD21 LEU 43 HD21 LEU 43 47.332 -4.352 -1.764 340 HD22 LEU 43 HD22 LEU 43 47.213 -5.093 -3.361 341 HD23 LEU 43 HD23 LEU 43 45.793 -4.353 -2.625 342 H LYS 44 HN LYS 44 48.402 -2.738 -7.600 343 HA LYS 44 HA LYS 44 51.099 -2.601 -6.590 344 HB2 LYS 44 HB2 LYS 44 49.802 -3.244 -9.208 345 HB3 LYS 44 HB1 LYS 44 51.503 -2.788 -9.270 346 HG2 LYS 44 HG2 LYS 44 52.137 -4.579 -7.826 347 HG3 LYS 44 HG1 LYS 44 50.465 -4.902 -7.372 348 HD2 LYS 44 HD2 LYS 44 49.941 -5.762 -9.538 349 HD3 LYS 44 HD1 LYS 44 51.443 -5.142 -10.223 350 HE2 LYS 44 HE2 LYS 44 51.346 -7.222 -8.025 351 HE3 LYS 44 HE1 LYS 44 51.468 -7.622 -9.739 352 HZ1 LYS 44 HZ1 LYS 44 53.552 -7.086 -8.077 353 HZ2 LYS 44 HZ2 LYS 44 53.354 -5.626 -8.924 354 HZ3 LYS 44 HZ3 LYS 44 53.610 -7.075 -9.773 355 H LYS 45 HN LYS 45 49.257 -0.518 -8.839 356 HA LYS 45 HA LYS 45 51.431 1.278 -9.368 357 HB2 LYS 45 HB2 LYS 45 49.409 1.101 -10.773 358 HB3 LYS 45 HB1 LYS 45 48.439 1.758 -9.461 359 HG2 LYS 45 HG2 LYS 45 50.810 3.408 -10.221 360 HG3 LYS 45 HG1 LYS 45 49.558 3.297 -11.453 361 HD2 LYS 45 HD2 LYS 45 48.790 3.927 -8.605 362 HD3 LYS 45 HD1 LYS 45 49.422 5.201 -9.646 363 HE2 LYS 45 HE2 LYS 45 47.135 3.415 -10.494 364 HE3 LYS 45 HE1 LYS 45 46.879 4.925 -9.623 365 HZ1 LYS 45 HZ1 LYS 45 48.457 5.838 -11.475 366 HZ2 LYS 45 HZ2 LYS 45 46.793 5.654 -11.765 367 HZ3 LYS 45 HZ3 LYS 45 47.892 4.491 -12.338 368 H TYR 46 HN TYR 46 48.828 1.295 -6.948 369 HA TYR 46 HA TYR 46 49.341 3.867 -5.848 370 HB2 TYR 46 HB2 TYR 46 47.339 2.587 -5.285 371 HB3 TYR 46 HB1 TYR 46 48.321 1.333 -4.538 372 HD1 TYR 46 HD2 TYR 46 48.030 5.082 -4.350 373 HD2 TYR 46 HD1 TYR 46 48.361 1.372 -2.204 374 HE1 TYR 46 HE2 TYR 46 47.935 6.314 -2.203 375 HE2 TYR 46 HE1 TYR 46 48.259 2.604 -0.057 376 HH TYR 46 HH TYR 46 47.646 6.086 0.036 377 H ILE 47 HN ILE 47 50.559 0.668 -4.796 378 HA ILE 47 HA ILE 47 52.262 1.542 -2.728 379 HB ILE 47 HB ILE 47 52.718 -0.687 -4.731 380 HG12 ILE 47 HG12 ILE 47 51.709 -0.997 -1.900 381 HG13 ILE 47 HG11 ILE 47 50.589 -0.642 -3.213 382 HG21 ILE 47 HG21 ILE 47 54.109 -1.621 -2.802 383 HG22 ILE 47 HG22 ILE 47 54.038 -0.005 -2.099 384 HG23 ILE 47 HG23 ILE 47 54.806 -0.251 -3.666 385 HD11 ILE 47 HD11 ILE 47 51.144 -3.153 -2.575 386 HD12 ILE 47 HD12 ILE 47 52.563 -2.877 -3.585 387 HD13 ILE 47 HD13 ILE 47 50.950 -2.682 -4.262 388 H ALA 48 HN ALA 48 52.946 1.191 -6.204 389 HA ALA 48 HA ALA 48 55.648 1.948 -6.194 390 HB1 ALA 48 HB1 ALA 48 53.500 2.464 -8.263 391 HB2 ALA 48 HB2 ALA 48 54.623 1.106 -8.211 392 HB3 ALA 48 HB3 ALA 48 55.219 2.731 -8.549 393 H GLU 49 HN GLU 49 52.757 4.025 -6.318 394 HA GLU 49 HA GLU 49 54.084 6.497 -6.708 395 HB2 GLU 49 HB2 GLU 49 51.500 5.793 -5.303 396 HB3 GLU 49 HB1 GLU 49 52.047 7.461 -5.485 397 HG2 GLU 49 HG2 GLU 49 52.052 7.265 -7.895 398 HG3 GLU 49 HG1 GLU 49 51.727 5.534 -7.802 399 H LEU 50 HN LEU 50 53.718 4.547 -3.796 400 HA LEU 50 HA LEU 50 54.605 6.714 -2.031 401 HB2 LEU 50 HB2 LEU 50 54.557 3.749 -1.415 402 HB3 LEU 50 HB1 LEU 50 54.531 5.085 -0.266 403 HG LEU 50 HG LEU 50 52.350 4.351 -2.240 404 HD11 LEU 50 HD11 LEU 50 52.554 4.322 0.780 405 HD12 LEU 50 HD12 LEU 50 52.321 2.936 -0.287 406 HD13 LEU 50 HD13 LEU 50 51.037 4.130 -0.096 407 HD21 LEU 50 HD21 LEU 50 51.144 6.253 -0.923 408 HD22 LEU 50 HD22 LEU 50 52.280 6.714 -2.189 409 HD23 LEU 50 HD23 LEU 50 52.771 6.784 -0.496 410 H GLU 51 HN GLU 51 56.132 4.058 -3.777 411 HA GLU 51 HA GLU 51 58.622 4.082 -2.364 412 HB2 GLU 51 HB2 GLU 51 57.873 3.309 -5.190 413 HB3 GLU 51 HB1 GLU 51 59.532 3.194 -4.604 414 HG2 GLU 51 HG2 GLU 51 58.955 1.599 -2.943 415 HG3 GLU 51 HG1 GLU 51 57.232 1.937 -3.102 416 H VAL 52 HN VAL 52 57.309 6.132 -4.906 417 HA VAL 52 HA VAL 52 59.880 7.460 -5.388 418 HB VAL 52 HB VAL 52 57.109 8.351 -6.240 419 HG11 VAL 52 HG11 VAL 52 58.745 10.101 -6.527 420 HG12 VAL 52 HG12 VAL 52 58.477 9.380 -8.114 421 HG13 VAL 52 HG13 VAL 52 59.921 8.966 -7.189 422 HG21 VAL 52 HG21 VAL 52 57.746 7.195 -8.408 423 HG22 VAL 52 HG22 VAL 52 57.419 6.100 -7.064 424 HG23 VAL 52 HG23 VAL 52 59.083 6.447 -7.535 425 H GLN 53 HN GLN 53 57.006 7.994 -3.403 426 HA GLN 53 HA GLN 53 57.790 10.731 -2.711 427 HB2 GLN 53 HB2 GLN 53 55.674 8.836 -1.670 428 HB3 GLN 53 HB1 GLN 53 55.958 10.421 -0.950 429 HG2 GLN 53 HG2 GLN 53 55.421 10.022 -3.903 430 HG3 GLN 53 HG1 GLN 53 54.149 10.365 -2.731 431 HE21 GLN 53 HE21 GLN 53 55.135 12.113 -4.975 432 HE22 GLN 53 HE22 GLN 53 55.629 13.559 -4.237 433 H THR 54 HN THR 54 58.050 7.509 -1.241 434 HA THR 54 HA THR 54 59.388 8.657 1.143 435 HB THR 54 HB THR 54 59.059 5.705 0.590 436 HG1 THR 54 HG1 THR 54 56.986 5.829 0.902 437 HG21 THR 54 HG21 THR 54 60.322 6.376 2.582 438 HG22 THR 54 HG22 THR 54 58.781 5.665 3.059 439 HG23 THR 54 HG23 THR 54 58.992 7.415 3.094 440 H GLY 55 HN GLY 55 60.467 8.433 -1.772 441 HA2 GLY 55 HA2 GLY 55 63.203 7.810 -0.969 442 HA3 GLY 55 HA1 GLY 55 62.526 6.681 -2.144 443 H MET 56 HN MET 56 64.380 9.378 -1.957 444 HA MET 56 HA MET 56 64.011 9.976 -4.792 445 HB2 MET 56 HB2 MET 56 62.225 11.321 -3.526 446 HB3 MET 56 HB1 MET 56 63.563 12.252 -2.853 447 HG2 MET 56 HG2 MET 56 64.337 12.729 -5.187 448 HG3 MET 56 HG1 MET 56 62.892 11.920 -5.790 449 HE1 MET 56 HE1 MET 56 60.454 12.609 -4.357 450 HE2 MET 56 HE2 MET 56 60.750 12.837 -6.079 451 HE3 MET 56 HE3 MET 56 60.000 14.127 -5.144 452 H THR 57 HN THR 57 66.104 10.094 -5.436 453 HA THR 57 HA THR 57 67.940 11.979 -4.193 454 HB THR 57 HB THR 57 68.604 9.026 -4.003 455 HG1 THR 57 HG1 THR 57 68.115 10.826 -1.883 456 HG21 THR 57 HG21 THR 57 70.497 9.907 -2.612 457 HG22 THR 57 HG22 THR 57 70.020 11.539 -3.080 458 HG23 THR 57 HG23 THR 57 70.578 10.399 -4.304 459 H GLN 58 HN GLN 58 67.216 9.479 -6.526 460 HA GLN 58 HA GLN 58 69.645 9.939 -8.097 461 HB2 GLN 58 HB2 GLN 58 67.102 8.371 -8.571 462 HB3 GLN 58 HB1 GLN 58 68.343 8.539 -9.814 463 HG2 GLN 58 HG2 GLN 58 70.009 7.526 -8.359 464 HG3 GLN 58 HG1 GLN 58 68.858 7.472 -7.023 465 HE21 GLN 58 HE21 GLN 58 69.668 6.014 -10.160 466 HE22 GLN 58 HE22 GLN 58 68.645 4.670 -9.993 467 H ARG 59 HN ARG 59 68.999 10.301 -10.635 468 HA ARG 59 HA ARG 59 66.880 12.204 -11.112 469 HB2 ARG 59 HB2 ARG 59 68.188 14.222 -11.366 470 HB3 ARG 59 HB1 ARG 59 68.504 13.575 -9.755 471 HG2 ARG 59 HG2 ARG 59 70.524 12.388 -10.775 472 HG3 ARG 59 HG1 ARG 59 70.273 13.396 -12.201 473 HD2 ARG 59 HD2 ARG 59 70.474 15.423 -10.820 474 HD3 ARG 59 HD1 ARG 59 70.700 14.428 -9.381 475 HE ARG 59 HE ARG 59 72.694 13.563 -11.096 476 HH11 ARG 59 HH21 ARG 59 71.609 16.589 -9.848 477 HH12 ARG 59 HH22 ARG 59 73.180 17.314 -9.875 478 HH21 ARG 59 HH11 ARG 59 74.754 14.494 -11.139 479 HH22 ARG 59 HH12 ARG 59 74.961 16.129 -10.605 480 H ARG 60 HN ARG 60 68.843 9.893 -12.150 481 HA ARG 60 HA ARG 60 69.806 10.834 -14.687 482 HB2 ARG 60 HB2 ARG 60 68.986 8.011 -13.942 483 HB3 ARG 60 HB1 ARG 60 70.070 8.479 -15.251 484 HG2 ARG 60 HG2 ARG 60 70.583 9.030 -12.312 485 HG3 ARG 60 HG1 ARG 60 71.297 7.699 -13.220 486 HD2 ARG 60 HD2 ARG 60 72.091 9.585 -14.864 487 HD3 ARG 60 HD1 ARG 60 71.803 10.653 -13.489 488 HE ARG 60 HE ARG 60 73.339 8.610 -12.425 489 HH11 ARG 60 HH21 ARG 60 73.552 10.762 -15.110 490 HH12 ARG 60 HH22 ARG 60 75.283 10.825 -15.093 491 HH21 ARG 60 HH11 ARG 60 75.599 8.680 -12.386 492 HH22 ARG 60 HH12 ARG 60 76.442 9.646 -13.551 493 H ARG 61 HN ARG 61 68.719 8.993 -16.524 494 HA ARG 61 HA ARG 61 66.905 8.680 -17.963 495 HB2 ARG 61 HB2 ARG 61 65.780 8.180 -15.635 496 HB3 ARG 61 HB1 ARG 61 65.011 9.749 -15.871 497 HG2 ARG 61 HG2 ARG 61 64.211 8.964 -18.111 498 HG3 ARG 61 HG1 ARG 61 64.867 7.368 -17.743 499 HD2 ARG 61 HD2 ARG 61 62.516 7.350 -17.172 500 HD3 ARG 61 HD1 ARG 61 63.438 7.343 -15.668 501 HE ARG 61 HE ARG 61 62.982 10.032 -16.145 502 HH11 ARG 61 HH21 ARG 61 61.074 7.168 -15.959 503 HH12 ARG 61 HH22 ARG 61 59.667 7.983 -15.361 504 HH21 ARG 61 HH11 ARG 61 61.157 11.114 -15.365 505 HH22 ARG 61 HH12 ARG 61 59.715 10.218 -15.025 506 H GLY 62 HN GLY 62 66.962 11.702 -16.110 507 HA2 GLY 62 HA2 GLY 62 66.632 13.913 -16.816 508 HA3 GLY 62 HA1 GLY 62 67.012 13.336 -18.439 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 57.975 8.105 7.782 2 H2 MET 1 HT2 MET 1 58.714 9.021 9.009 3 H3 MET 1 HT3 MET 1 57.025 9.051 8.820 4 HA MET 1 HA MET 1 58.513 6.573 9.463 5 HB2 MET 1 HB2 MET 1 57.354 8.696 11.277 6 HB3 MET 1 HB1 MET 1 57.589 7.033 11.816 7 HG2 MET 1 HG2 MET 1 59.817 8.644 10.562 8 HG3 MET 1 HG1 MET 1 59.506 8.665 12.296 9 HE1 MET 1 HE1 MET 1 62.215 5.923 10.259 10 HE2 MET 1 HE2 MET 1 62.051 7.671 10.409 11 HE3 MET 1 HE3 MET 1 61.002 6.787 9.303 12 H VAL 2 HN VAL 2 55.447 8.377 9.950 13 HA VAL 2 HA VAL 2 53.776 6.163 10.382 14 HB VAL 2 HB VAL 2 53.071 8.656 8.800 15 HG11 VAL 2 HG11 VAL 2 51.307 7.070 8.569 16 HG12 VAL 2 HG12 VAL 2 50.796 8.140 9.874 17 HG13 VAL 2 HG13 VAL 2 51.455 6.547 10.247 18 HG21 VAL 2 HG21 VAL 2 53.048 8.079 11.780 19 HG22 VAL 2 HG22 VAL 2 52.303 9.495 11.037 20 HG23 VAL 2 HG23 VAL 2 54.049 9.267 10.947 21 H ARG 3 HN ARG 3 54.536 7.714 7.239 22 HA ARG 3 HA ARG 3 53.093 5.999 5.557 23 HB2 ARG 3 HB2 ARG 3 55.853 7.168 5.079 24 HB3 ARG 3 HB1 ARG 3 54.800 6.510 3.826 25 HG2 ARG 3 HG2 ARG 3 53.077 8.187 4.393 26 HG3 ARG 3 HG1 ARG 3 54.136 8.852 5.638 27 HD2 ARG 3 HD2 ARG 3 55.813 9.420 3.941 28 HD3 ARG 3 HD1 ARG 3 54.803 8.708 2.683 29 HE ARG 3 HE ARG 3 53.158 10.601 3.859 30 HH11 ARG 3 HH21 ARG 3 56.321 10.538 2.491 31 HH12 ARG 3 HH22 ARG 3 56.258 12.176 1.933 32 HH21 ARG 3 HH11 ARG 3 53.056 12.741 3.138 33 HH22 ARG 3 HH12 ARG 3 54.409 13.424 2.300 34 H GLN 4 HN GLN 4 56.183 5.453 7.177 35 HA GLN 4 HA GLN 4 56.970 3.085 5.828 36 HB2 GLN 4 HB2 GLN 4 58.223 4.476 7.641 37 HB3 GLN 4 HB1 GLN 4 57.362 3.465 8.800 38 HG2 GLN 4 HG2 GLN 4 59.104 2.419 6.547 39 HG3 GLN 4 HG1 GLN 4 59.604 2.544 8.233 40 HE21 GLN 4 HE21 GLN 4 58.243 0.414 5.990 41 HE22 GLN 4 HE22 GLN 4 57.536 -0.680 7.075 42 H GLU 5 HN GLU 5 54.802 3.575 8.597 43 HA GLU 5 HA GLU 5 54.283 0.744 8.970 44 HB2 GLU 5 HB2 GLU 5 53.998 2.242 10.849 45 HB3 GLU 5 HB1 GLU 5 52.854 3.233 9.945 46 HG2 GLU 5 HG2 GLU 5 51.188 1.543 9.980 47 HG3 GLU 5 HG1 GLU 5 52.344 0.302 10.466 48 H GLU 6 HN GLU 6 52.393 3.430 7.526 49 HA GLU 6 HA GLU 6 50.164 1.845 6.770 50 HB2 GLU 6 HB2 GLU 6 51.297 4.408 5.613 51 HB3 GLU 6 HB1 GLU 6 49.846 3.647 4.960 52 HG2 GLU 6 HG2 GLU 6 48.767 3.767 7.156 53 HG3 GLU 6 HG1 GLU 6 50.229 4.462 7.855 54 H LEU 7 HN LEU 7 53.378 1.920 5.466 55 HA LEU 7 HA LEU 7 52.628 0.884 2.844 56 HB2 LEU 7 HB2 LEU 7 54.720 2.108 3.058 57 HB3 LEU 7 HB1 LEU 7 55.273 1.011 4.318 58 HG LEU 7 HG LEU 7 55.445 -0.820 2.763 59 HD11 LEU 7 HD11 LEU 7 53.585 -0.620 1.329 60 HD12 LEU 7 HD12 LEU 7 54.944 -0.265 0.267 61 HD13 LEU 7 HD13 LEU 7 53.963 1.052 0.915 62 HD21 LEU 7 HD21 LEU 7 57.348 0.698 2.750 63 HD22 LEU 7 HD22 LEU 7 56.540 1.758 1.595 64 HD23 LEU 7 HD23 LEU 7 57.057 0.146 1.102 65 H ALA 8 HN ALA 8 54.007 -0.473 5.833 66 HA ALA 8 HA ALA 8 54.180 -3.168 4.924 67 HB1 ALA 8 HB1 ALA 8 53.704 -2.150 7.742 68 HB2 ALA 8 HB2 ALA 8 55.283 -2.372 6.984 69 HB3 ALA 8 HB3 ALA 8 54.258 -3.768 7.313 70 H ALA 9 HN ALA 9 51.454 -1.261 5.954 71 HA ALA 9 HA ALA 9 49.729 -3.509 6.592 72 HB1 ALA 9 HB1 ALA 9 49.159 -1.430 7.611 73 HB2 ALA 9 HB2 ALA 9 47.912 -1.717 6.399 74 HB3 ALA 9 HB3 ALA 9 49.216 -0.575 6.070 75 H ALA 10 HN ALA 10 49.731 -1.189 3.831 76 HA ALA 10 HA ALA 10 47.802 -2.635 2.317 77 HB1 ALA 10 HB1 ALA 10 48.160 -0.536 1.394 78 HB2 ALA 10 HB2 ALA 10 49.183 -1.494 0.322 79 HB3 ALA 10 HB3 ALA 10 49.897 -0.603 1.665 80 H ARG 11 HN ARG 11 51.214 -3.091 2.828 81 HA ARG 11 HA ARG 11 51.664 -4.944 0.661 82 HB2 ARG 11 HB2 ARG 11 53.337 -3.640 2.266 83 HB3 ARG 11 HB1 ARG 11 53.179 -5.075 3.273 84 HG2 ARG 11 HG2 ARG 11 54.910 -5.850 1.971 85 HG3 ARG 11 HG1 ARG 11 53.614 -6.259 0.849 86 HD2 ARG 11 HD2 ARG 11 53.902 -4.017 -0.218 87 HD3 ARG 11 HD1 ARG 11 55.280 -3.730 0.841 88 HE ARG 11 HE ARG 11 55.880 -6.143 -0.383 89 HH11 ARG 11 HH21 ARG 11 54.962 -2.981 -1.407 90 HH12 ARG 11 HH22 ARG 11 55.839 -3.065 -2.899 91 HH21 ARG 11 HH11 ARG 11 57.031 -6.270 -2.325 92 HH22 ARG 11 HH12 ARG 11 57.011 -4.928 -3.418 93 H ALA 12 HN ALA 12 51.014 -5.390 4.201 94 HA ALA 12 HA ALA 12 50.993 -8.198 4.209 95 HB1 ALA 12 HB1 ALA 12 49.182 -6.354 5.786 96 HB2 ALA 12 HB2 ALA 12 50.809 -6.838 6.265 97 HB3 ALA 12 HB3 ALA 12 49.520 -8.039 6.182 98 H ALA 13 HN ALA 13 48.854 -6.039 2.749 99 HA ALA 13 HA ALA 13 46.596 -7.892 2.577 100 HB1 ALA 13 HB1 ALA 13 46.983 -5.462 0.827 101 HB2 ALA 13 HB2 ALA 13 46.488 -5.306 2.512 102 HB3 ALA 13 HB3 ALA 13 45.474 -6.195 1.375 103 H LEU 14 HN LEU 14 49.281 -6.859 0.466 104 HA LEU 14 HA LEU 14 48.314 -8.269 -1.824 105 HB2 LEU 14 HB2 LEU 14 50.402 -6.560 -1.429 106 HB3 LEU 14 HB1 LEU 14 51.268 -8.081 -1.591 107 HG LEU 14 HG LEU 14 49.226 -7.011 -3.571 108 HD11 LEU 14 HD11 LEU 14 51.452 -5.769 -3.359 109 HD12 LEU 14 HD12 LEU 14 51.042 -6.391 -4.954 110 HD13 LEU 14 HD13 LEU 14 52.210 -7.249 -3.949 111 HD21 LEU 14 HD21 LEU 14 50.286 -8.839 -4.996 112 HD22 LEU 14 HD22 LEU 14 49.258 -9.398 -3.678 113 HD23 LEU 14 HD23 LEU 14 51.014 -9.451 -3.511 114 H HIS 15 HN HIS 15 49.994 -9.303 1.040 115 HA HIS 15 HA HIS 15 50.771 -11.894 -0.060 116 HB2 HIS 15 HB2 HIS 15 51.968 -10.861 1.865 117 HB3 HIS 15 HB1 HIS 15 50.500 -11.010 2.832 118 HD1 HIS 15 HD1 HIS 15 50.748 -12.959 4.360 119 HD2 HIS 15 HD2 HIS 15 52.376 -13.750 0.605 120 HE1 HIS 15 HE1 HIS 15 51.553 -15.359 4.420 121 H ASP 16 HN ASP 16 48.030 -10.520 1.647 122 HA ASP 16 HA ASP 16 46.772 -13.070 2.231 123 HB2 ASP 16 HB2 ASP 16 46.338 -10.924 3.481 124 HB3 ASP 16 HB1 ASP 16 45.461 -10.347 2.064 125 H LEU 17 HN LEU 17 46.573 -10.718 -0.408 126 HA LEU 17 HA LEU 17 44.267 -11.976 -1.641 127 HB2 LEU 17 HB2 LEU 17 46.304 -10.050 -2.794 128 HB3 LEU 17 HB1 LEU 17 44.793 -10.496 -3.563 129 HG LEU 17 HG LEU 17 44.915 -9.310 -0.783 130 HD11 LEU 17 HD11 LEU 17 44.442 -7.138 -1.763 131 HD12 LEU 17 HD12 LEU 17 44.409 -7.834 -3.381 132 HD13 LEU 17 HD13 LEU 17 45.923 -7.765 -2.482 133 HD21 LEU 17 HD21 LEU 17 42.796 -10.282 -1.077 134 HD22 LEU 17 HD22 LEU 17 42.739 -9.887 -2.792 135 HD23 LEU 17 HD23 LEU 17 42.520 -8.622 -1.591 136 H MET 18 HN MET 18 47.703 -12.558 -1.776 137 HA MET 18 HA MET 18 47.467 -14.146 -4.255 138 HB2 MET 18 HB2 MET 18 49.615 -12.888 -2.747 139 HB3 MET 18 HB1 MET 18 50.018 -14.577 -3.032 140 HG2 MET 18 HG2 MET 18 50.864 -13.298 -4.896 141 HG3 MET 18 HG1 MET 18 49.469 -14.208 -5.474 142 HE1 MET 18 HE1 MET 18 49.368 -10.897 -7.480 143 HE2 MET 18 HE2 MET 18 48.944 -12.603 -7.597 144 HE3 MET 18 HE3 MET 18 50.570 -12.139 -7.101 145 H THR 19 HN THR 19 46.964 -14.649 -0.935 146 HA THR 19 HA THR 19 47.736 -17.515 -1.035 147 HB THR 19 HB THR 19 46.713 -17.363 1.393 148 HG1 THR 19 HG1 THR 19 47.459 -14.758 1.461 149 HG21 THR 19 HG21 THR 19 48.866 -16.524 2.237 150 HG22 THR 19 HG22 THR 19 49.248 -15.873 0.643 151 HG23 THR 19 HG23 THR 19 49.117 -17.616 0.876 152 H GLY 20 HN GLY 20 45.065 -15.667 -1.896 153 HA2 GLY 20 HA2 GLY 20 43.262 -17.116 -2.964 154 HA3 GLY 20 HA1 GLY 20 43.187 -17.972 -1.427 155 H LYS 21 HN LYS 21 43.325 -15.738 0.332 156 HA LYS 21 HA LYS 21 40.640 -15.009 0.584 157 HB2 LYS 21 HB2 LYS 21 43.171 -13.649 1.495 158 HB3 LYS 21 HB1 LYS 21 41.602 -12.919 1.817 159 HG2 LYS 21 HG2 LYS 21 42.440 -14.357 3.673 160 HG3 LYS 21 HG1 LYS 21 40.884 -14.879 3.029 161 HD2 LYS 21 HD2 LYS 21 41.895 -16.665 1.794 162 HD3 LYS 21 HD1 LYS 21 43.517 -16.034 2.087 163 HE2 LYS 21 HE2 LYS 21 42.981 -17.966 3.560 164 HE3 LYS 21 HE1 LYS 21 43.298 -16.494 4.479 165 HZ1 LYS 21 HZ1 LYS 21 41.130 -16.278 5.069 166 HZ2 LYS 21 HZ2 LYS 21 41.191 -17.971 4.934 167 HZ3 LYS 21 HZ3 LYS 21 40.541 -17.038 3.671 168 H ARG 22 HN ARG 22 39.548 -14.214 -1.191 169 HA ARG 22 HA ARG 22 40.743 -12.327 -3.017 170 HB2 ARG 22 HB2 ARG 22 38.906 -14.087 -3.489 171 HB3 ARG 22 HB1 ARG 22 37.790 -12.915 -2.789 172 HG2 ARG 22 HG2 ARG 22 38.806 -11.220 -4.436 173 HG3 ARG 22 HG1 ARG 22 39.509 -12.616 -5.251 174 HD2 ARG 22 HD2 ARG 22 36.572 -12.051 -4.793 175 HD3 ARG 22 HD1 ARG 22 37.413 -12.153 -6.339 176 HE ARG 22 HE ARG 22 37.840 -14.638 -5.190 177 HH11 ARG 22 HH21 ARG 22 35.123 -12.631 -5.880 178 HH12 ARG 22 HH22 ARG 22 34.037 -13.958 -6.125 179 HH21 ARG 22 HH11 ARG 22 36.437 -16.383 -5.506 180 HH22 ARG 22 HH12 ARG 22 34.781 -16.082 -5.913 181 H VAL 23 HN VAL 23 38.209 -12.110 -0.517 182 HA VAL 23 HA VAL 23 37.977 -9.194 -0.888 183 HB VAL 23 HB VAL 23 36.070 -10.730 -0.244 184 HG11 VAL 23 HG11 VAL 23 37.315 -10.651 2.516 185 HG12 VAL 23 HG12 VAL 23 37.534 -12.017 1.421 186 HG13 VAL 23 HG13 VAL 23 35.918 -11.587 1.983 187 HG21 VAL 23 HG21 VAL 23 35.802 -8.362 0.092 188 HG22 VAL 23 HG22 VAL 23 36.802 -8.398 1.546 189 HG23 VAL 23 HG23 VAL 23 35.212 -9.158 1.551 190 H ALA 24 HN ALA 24 39.036 -7.657 0.279 191 HA ALA 24 HA ALA 24 40.268 -8.322 2.888 192 HB1 ALA 24 HB1 ALA 24 42.485 -7.435 2.199 193 HB2 ALA 24 HB2 ALA 24 41.902 -7.307 0.541 194 HB3 ALA 24 HB3 ALA 24 42.058 -8.891 1.301 195 H THR 25 HN THR 25 40.736 -6.412 4.126 196 HA THR 25 HA THR 25 39.417 -3.923 3.054 197 HB THR 25 HB THR 25 39.860 -4.773 5.932 198 HG1 THR 25 HG1 THR 25 37.628 -5.188 5.861 199 HG21 THR 25 HG21 THR 25 38.102 -2.950 6.267 200 HG22 THR 25 HG22 THR 25 38.450 -2.455 4.610 201 HG23 THR 25 HG23 THR 25 39.721 -2.404 5.831 202 H VAL 26 HN VAL 26 40.426 -1.876 3.559 203 HA VAL 26 HA VAL 26 43.175 -1.945 4.652 204 HB VAL 26 HB VAL 26 43.192 -2.245 2.074 205 HG11 VAL 26 HG11 VAL 26 41.413 -0.414 1.797 206 HG12 VAL 26 HG12 VAL 26 42.809 -0.326 0.724 207 HG13 VAL 26 HG13 VAL 26 42.707 0.739 2.123 208 HG21 VAL 26 HG21 VAL 26 45.187 -1.632 3.346 209 HG22 VAL 26 HG22 VAL 26 44.665 0.051 3.403 210 HG23 VAL 26 HG23 VAL 26 45.123 -0.677 1.865 211 H GLN 27 HN GLN 27 43.389 -0.292 6.027 212 HA GLN 27 HA GLN 27 41.360 1.845 6.067 213 HB2 GLN 27 HB2 GLN 27 43.651 1.064 7.881 214 HB3 GLN 27 HB1 GLN 27 42.772 2.577 8.107 215 HG2 GLN 27 HG2 GLN 27 40.670 1.370 8.359 216 HG3 GLN 27 HG1 GLN 27 41.475 -0.161 8.008 217 HE21 GLN 27 HE21 GLN 27 40.125 1.071 10.567 218 HE22 GLN 27 HE22 GLN 27 41.265 0.750 11.784 219 H LYS 28 HN LYS 28 41.677 3.621 4.811 220 HA LYS 28 HA LYS 28 44.478 4.460 4.180 221 HB2 LYS 28 HB2 LYS 28 42.852 3.928 2.271 222 HB3 LYS 28 HB1 LYS 28 41.963 5.375 2.755 223 HG2 LYS 28 HG2 LYS 28 44.084 6.689 2.516 224 HG3 LYS 28 HG1 LYS 28 44.860 5.239 1.877 225 HD2 LYS 28 HD2 LYS 28 43.279 5.156 0.024 226 HD3 LYS 28 HD1 LYS 28 42.382 6.521 0.690 227 HE2 LYS 28 HE2 LYS 28 45.258 6.582 -0.268 228 HE3 LYS 28 HE1 LYS 28 43.874 7.288 -1.102 229 HZ1 LYS 28 HZ1 LYS 28 44.460 9.111 0.037 230 HZ2 LYS 28 HZ2 LYS 28 45.327 8.244 1.213 231 HZ3 LYS 28 HZ3 LYS 28 43.637 8.375 1.325 232 H ASP 29 HN ASP 29 45.044 6.687 4.636 233 HA ASP 29 HA ASP 29 43.835 7.931 6.856 234 HB2 ASP 29 HB2 ASP 29 45.426 9.216 4.613 235 HB3 ASP 29 HB1 ASP 29 45.098 9.956 6.180 236 H GLY 30 HN GLY 30 41.537 7.874 6.410 237 HA2 GLY 30 HA2 GLY 30 40.163 10.104 5.850 238 HA3 GLY 30 HA1 GLY 30 40.529 9.578 4.205 239 H ARG 31 HN ARG 31 40.266 6.828 4.397 240 HA ARG 31 HA ARG 31 37.886 6.012 5.802 241 HB2 ARG 31 HB2 ARG 31 36.826 7.505 4.125 242 HB3 ARG 31 HB1 ARG 31 37.586 6.580 2.837 243 HG2 ARG 31 HG2 ARG 31 35.234 5.888 3.194 244 HG3 ARG 31 HG1 ARG 31 36.358 4.569 3.503 245 HD2 ARG 31 HD2 ARG 31 34.407 5.061 5.210 246 HD3 ARG 31 HD1 ARG 31 36.005 4.628 5.812 247 HE ARG 31 HE ARG 31 36.102 7.384 5.690 248 HH11 ARG 31 HH21 ARG 31 33.959 5.033 7.011 249 HH12 ARG 31 HH22 ARG 31 33.462 6.035 8.332 250 HH21 ARG 31 HH11 ARG 31 35.467 8.708 7.406 251 HH22 ARG 31 HH12 ARG 31 34.315 8.116 8.557 252 H ARG 32 HN ARG 32 37.552 3.831 5.630 253 HA ARG 32 HA ARG 32 39.736 2.268 4.434 254 HB2 ARG 32 HB2 ARG 32 39.070 0.577 5.882 255 HB3 ARG 32 HB1 ARG 32 38.448 1.975 6.748 256 HG2 ARG 32 HG2 ARG 32 36.249 1.598 5.483 257 HG3 ARG 32 HG1 ARG 32 36.909 0.029 5.020 258 HD2 ARG 32 HD2 ARG 32 35.609 -0.309 7.019 259 HD3 ARG 32 HD1 ARG 32 37.308 -0.424 7.476 260 HE ARG 32 HE ARG 32 36.697 2.244 7.893 261 HH11 ARG 32 HH21 ARG 32 35.375 -0.799 8.831 262 HH12 ARG 32 HH22 ARG 32 34.770 -0.220 10.347 263 HH21 ARG 32 HH11 ARG 32 35.914 3.018 9.868 264 HH22 ARG 32 HH12 ARG 32 35.076 1.941 10.934 265 H VAL 33 HN VAL 33 39.445 0.721 2.745 266 HA VAL 33 HA VAL 33 36.752 0.578 1.459 267 HB VAL 33 HB VAL 33 39.293 1.393 0.004 268 HG11 VAL 33 HG11 VAL 33 37.690 1.463 -1.981 269 HG12 VAL 33 HG12 VAL 33 36.553 0.557 -0.985 270 HG13 VAL 33 HG13 VAL 33 38.110 -0.152 -1.410 271 HG21 VAL 33 HG21 VAL 33 37.687 3.311 -0.685 272 HG22 VAL 33 HG22 VAL 33 38.325 3.352 0.955 273 HG23 VAL 33 HG23 VAL 33 36.683 2.780 0.663 274 H GLU 34 HN GLU 34 36.392 -1.323 0.380 275 HA GLU 34 HA GLU 34 38.389 -3.475 0.882 276 HB2 GLU 34 HB2 GLU 34 35.873 -3.430 1.682 277 HB3 GLU 34 HB1 GLU 34 35.536 -3.960 0.035 278 HG2 GLU 34 HG2 GLU 34 37.251 -5.788 0.389 279 HG3 GLU 34 HG1 GLU 34 37.283 -5.324 2.090 280 H PHE 35 HN PHE 35 39.543 -4.235 -0.821 281 HA PHE 35 HA PHE 35 38.424 -3.928 -3.595 282 HB2 PHE 35 HB2 PHE 35 41.230 -3.824 -2.488 283 HB3 PHE 35 HB1 PHE 35 40.978 -4.299 -4.163 284 HD1 PHE 35 HD2 PHE 35 39.136 -2.679 -5.411 285 HD2 PHE 35 HD1 PHE 35 41.713 -1.571 -2.160 286 HE1 PHE 35 HE2 PHE 35 38.963 -0.299 -6.079 287 HE2 PHE 35 HE1 PHE 35 41.553 0.803 -2.831 288 HZ PHE 35 HZ PHE 35 40.170 1.444 -4.791 289 H THR 36 HN THR 36 38.440 -5.787 -4.920 290 HA THR 36 HA THR 36 39.044 -8.371 -3.522 291 HB THR 36 HB THR 36 37.539 -9.404 -5.160 292 HG1 THR 36 HG1 THR 36 38.122 -7.800 -6.811 293 HG21 THR 36 HG21 THR 36 36.129 -6.914 -4.219 294 HG22 THR 36 HG22 THR 36 36.670 -8.143 -3.074 295 HG23 THR 36 HG23 THR 36 35.505 -8.558 -4.332 296 H ALA 37 HN ALA 37 40.071 -10.100 -5.051 297 HA ALA 37 HA ALA 37 42.460 -9.138 -6.205 298 HB1 ALA 37 HB1 ALA 37 42.281 -11.495 -5.782 299 HB2 ALA 37 HB2 ALA 37 42.479 -11.308 -7.521 300 HB3 ALA 37 HB3 ALA 37 40.885 -11.640 -6.849 301 H THR 38 HN THR 38 39.316 -8.754 -7.416 302 HA THR 38 HA THR 38 39.794 -8.866 -10.232 303 HB THR 38 HB THR 38 37.772 -7.464 -10.441 304 HG1 THR 38 HG1 THR 38 36.976 -7.214 -7.991 305 HG21 THR 38 HG21 THR 38 37.779 -9.993 -9.657 306 HG22 THR 38 HG22 THR 38 36.279 -9.067 -9.642 307 HG23 THR 38 HG23 THR 38 37.176 -9.309 -8.146 308 H SER 39 HN SER 39 40.670 -6.509 -7.830 309 HA SER 39 HA SER 39 41.710 -4.715 -10.010 310 HB2 SER 39 HB2 SER 39 41.081 -2.786 -8.767 311 HB3 SER 39 HB1 SER 39 39.670 -3.839 -8.734 312 HG SER 39 HG SER 39 40.728 -2.826 -6.678 313 H VAL 40 HN VAL 40 43.413 -6.609 -9.117 314 HA VAL 40 HA VAL 40 44.921 -5.634 -6.786 315 HB VAL 40 HB VAL 40 44.825 -8.025 -7.102 316 HG11 VAL 40 HG11 VAL 40 46.207 -7.589 -9.786 317 HG12 VAL 40 HG12 VAL 40 44.490 -7.957 -9.610 318 HG13 VAL 40 HG13 VAL 40 45.702 -9.134 -9.104 319 HG21 VAL 40 HG21 VAL 40 47.167 -8.530 -6.926 320 HG22 VAL 40 HG22 VAL 40 46.997 -6.872 -6.338 321 HG23 VAL 40 HG23 VAL 40 47.605 -7.175 -7.965 322 H SER 41 HN SER 41 44.856 -4.827 -10.113 323 HA SER 41 HA SER 41 47.676 -4.232 -10.432 324 HB2 SER 41 HB2 SER 41 46.909 -2.972 -12.439 325 HB3 SER 41 HB1 SER 41 46.271 -4.612 -12.390 326 HG SER 41 HG SER 41 44.654 -2.935 -11.047 327 H ASP 42 HN ASP 42 44.789 -2.205 -9.827 328 HA ASP 42 HA ASP 42 46.102 0.293 -9.649 329 HB2 ASP 42 HB2 ASP 42 44.173 0.799 -7.956 330 HB3 ASP 42 HB1 ASP 42 43.748 0.378 -9.616 331 H LEU 43 HN LEU 43 45.916 -2.368 -7.263 332 HA LEU 43 HA LEU 43 46.904 -0.792 -5.063 333 HB2 LEU 43 HB2 LEU 43 45.741 -3.126 -5.044 334 HB3 LEU 43 HB1 LEU 43 47.341 -3.767 -5.387 335 HG LEU 43 HG LEU 43 48.219 -2.781 -3.307 336 HD11 LEU 43 HD11 LEU 43 47.080 -0.837 -2.750 337 HD12 LEU 43 HD12 LEU 43 46.198 -1.951 -1.716 338 HD13 LEU 43 HD13 LEU 43 45.519 -1.465 -3.269 339 HD21 LEU 43 HD21 LEU 43 47.107 -4.267 -1.790 340 HD22 LEU 43 HD22 LEU 43 47.017 -5.025 -3.381 341 HD23 LEU 43 HD23 LEU 43 45.610 -4.200 -2.716 342 H LYS 44 HN LYS 44 48.410 -2.654 -7.660 343 HA LYS 44 HA LYS 44 51.101 -2.517 -6.624 344 HB2 LYS 44 HB2 LYS 44 49.827 -3.124 -9.265 345 HB3 LYS 44 HB1 LYS 44 51.525 -2.656 -9.306 346 HG2 LYS 44 HG2 LYS 44 52.162 -4.469 -7.894 347 HG3 LYS 44 HG1 LYS 44 50.489 -4.809 -7.454 348 HD2 LYS 44 HD2 LYS 44 49.979 -5.657 -9.619 349 HD3 LYS 44 HD1 LYS 44 51.454 -4.985 -10.312 350 HE2 LYS 44 HE2 LYS 44 51.314 -7.213 -8.260 351 HE3 LYS 44 HE1 LYS 44 51.704 -7.403 -9.968 352 HZ1 LYS 44 HZ1 LYS 44 53.441 -5.510 -9.226 353 HZ2 LYS 44 HZ2 LYS 44 53.798 -7.170 -9.250 354 HZ3 LYS 44 HZ3 LYS 44 53.341 -6.418 -7.797 355 H LYS 45 HN LYS 45 49.307 -0.465 -8.942 356 HA LYS 45 HA LYS 45 51.409 1.385 -9.441 357 HB2 LYS 45 HB2 LYS 45 49.217 1.152 -10.686 358 HB3 LYS 45 HB1 LYS 45 48.455 2.016 -9.353 359 HG2 LYS 45 HG2 LYS 45 49.853 3.963 -9.726 360 HG3 LYS 45 HG1 LYS 45 50.809 3.099 -10.926 361 HD2 LYS 45 HD2 LYS 45 49.332 4.379 -12.240 362 HD3 LYS 45 HD1 LYS 45 48.562 2.796 -12.200 363 HE2 LYS 45 HE2 LYS 45 46.953 4.651 -11.774 364 HE3 LYS 45 HE1 LYS 45 47.059 3.535 -10.416 365 HZ1 LYS 45 HZ1 LYS 45 49.003 5.580 -10.180 366 HZ2 LYS 45 HZ2 LYS 45 47.753 5.163 -9.108 367 HZ3 LYS 45 HZ3 LYS 45 47.462 6.264 -10.369 368 H TYR 46 HN TYR 46 48.843 1.386 -6.977 369 HA TYR 46 HA TYR 46 49.428 3.916 -5.823 370 HB2 TYR 46 HB2 TYR 46 47.399 2.641 -5.297 371 HB3 TYR 46 HB1 TYR 46 48.368 1.385 -4.538 372 HD1 TYR 46 HD1 TYR 46 48.070 5.133 -4.370 373 HD2 TYR 46 HD2 TYR 46 48.420 1.438 -2.203 374 HE1 TYR 46 HE1 TYR 46 47.964 6.376 -2.229 375 HE2 TYR 46 HE2 TYR 46 48.314 2.681 -0.063 376 HH TYR 46 HH TYR 46 48.868 5.097 0.686 377 H ILE 47 HN ILE 47 50.567 0.664 -4.849 378 HA ILE 47 HA ILE 47 52.312 1.459 -2.777 379 HB ILE 47 HB ILE 47 52.644 -0.771 -4.804 380 HG12 ILE 47 HG12 ILE 47 51.707 -1.057 -1.946 381 HG13 ILE 47 HG11 ILE 47 50.564 -0.659 -3.228 382 HG21 ILE 47 HG21 ILE 47 54.068 -0.158 -2.209 383 HG22 ILE 47 HG22 ILE 47 54.779 -0.429 -3.801 384 HG23 ILE 47 HG23 ILE 47 54.052 -1.772 -2.920 385 HD11 ILE 47 HD11 ILE 47 52.453 -2.963 -3.639 386 HD12 ILE 47 HD12 ILE 47 50.843 -2.705 -4.304 387 HD13 ILE 47 HD13 ILE 47 51.031 -3.188 -2.618 388 H ALA 48 HN ALA 48 53.047 0.974 -6.236 389 HA ALA 48 HA ALA 48 55.746 1.728 -6.204 390 HB1 ALA 48 HB1 ALA 48 55.457 2.287 -8.587 391 HB2 ALA 48 HB2 ALA 48 53.705 2.284 -8.374 392 HB3 ALA 48 HB3 ALA 48 54.619 0.788 -8.183 393 H GLU 49 HN GLU 49 52.866 3.798 -6.260 394 HA GLU 49 HA GLU 49 54.207 6.243 -6.828 395 HB2 GLU 49 HB2 GLU 49 51.718 5.805 -6.911 396 HB3 GLU 49 HB1 GLU 49 51.712 5.883 -5.149 397 HG2 GLU 49 HG2 GLU 49 51.151 8.068 -5.898 398 HG3 GLU 49 HG1 GLU 49 52.832 8.152 -5.381 399 H LEU 50 HN LEU 50 53.871 4.374 -3.872 400 HA LEU 50 HA LEU 50 54.747 6.613 -2.173 401 HB2 LEU 50 HB2 LEU 50 54.590 3.684 -1.419 402 HB3 LEU 50 HB1 LEU 50 54.570 5.077 -0.339 403 HG LEU 50 HG LEU 50 52.432 4.324 -2.353 404 HD11 LEU 50 HD11 LEU 50 52.213 2.964 -0.408 405 HD12 LEU 50 HD12 LEU 50 51.061 4.280 -0.189 406 HD13 LEU 50 HD13 LEU 50 52.601 4.308 0.666 407 HD21 LEU 50 HD21 LEU 50 51.240 6.299 -1.132 408 HD22 LEU 50 HD22 LEU 50 52.427 6.686 -2.375 409 HD23 LEU 50 HD23 LEU 50 52.869 6.797 -0.671 410 H GLU 51 HN GLU 51 56.214 3.787 -3.718 411 HA GLU 51 HA GLU 51 58.691 3.882 -2.271 412 HB2 GLU 51 HB2 GLU 51 58.032 2.869 -5.050 413 HB3 GLU 51 HB1 GLU 51 59.606 2.660 -4.283 414 HG2 GLU 51 HG2 GLU 51 58.685 1.329 -2.527 415 HG3 GLU 51 HG1 GLU 51 57.033 1.761 -2.973 416 H VAL 52 HN VAL 52 57.459 5.681 -5.035 417 HA VAL 52 HA VAL 52 60.082 6.870 -5.622 418 HB VAL 52 HB VAL 52 57.344 7.677 -6.654 419 HG11 VAL 52 HG11 VAL 52 60.189 8.238 -7.525 420 HG12 VAL 52 HG12 VAL 52 58.940 9.407 -7.100 421 HG13 VAL 52 HG13 VAL 52 58.807 8.477 -8.593 422 HG21 VAL 52 HG21 VAL 52 57.848 6.249 -8.583 423 HG22 VAL 52 HG22 VAL 52 57.880 5.282 -7.110 424 HG23 VAL 52 HG23 VAL 52 59.391 5.788 -7.864 425 H GLN 53 HN GLN 53 57.193 7.686 -3.776 426 HA GLN 53 HA GLN 53 57.966 10.483 -3.434 427 HB2 GLN 53 HB2 GLN 53 55.883 8.718 -2.131 428 HB3 GLN 53 HB1 GLN 53 56.148 10.390 -1.636 429 HG2 GLN 53 HG2 GLN 53 55.667 11.178 -3.894 430 HG3 GLN 53 HG1 GLN 53 55.512 9.518 -4.470 431 HE21 GLN 53 HE21 GLN 53 53.840 8.203 -2.928 432 HE22 GLN 53 HE22 GLN 53 52.382 9.023 -2.638 433 H THR 54 HN THR 54 58.302 7.476 -1.600 434 HA THR 54 HA THR 54 59.554 8.901 0.665 435 HB THR 54 HB THR 54 59.458 5.900 0.350 436 HG1 THR 54 HG1 THR 54 57.386 6.057 0.216 437 HG21 THR 54 HG21 THR 54 59.080 7.712 2.749 438 HG22 THR 54 HG22 THR 54 60.623 6.990 2.288 439 HG23 THR 54 HG23 THR 54 59.274 5.959 2.768 440 H GLY 55 HN GLY 55 60.843 8.933 -2.012 441 HA2 GLY 55 HA2 GLY 55 63.534 8.542 -1.219 442 HA3 GLY 55 HA1 GLY 55 63.029 7.133 -2.150 443 H MET 56 HN MET 56 63.529 10.620 -2.290 444 HA MET 56 HA MET 56 63.086 10.615 -5.234 445 HB2 MET 56 HB2 MET 56 63.517 12.794 -3.181 446 HB3 MET 56 HB1 MET 56 63.572 13.120 -4.914 447 HG2 MET 56 HG2 MET 56 61.294 12.126 -5.135 448 HG3 MET 56 HG1 MET 56 61.238 11.932 -3.384 449 HE1 MET 56 HE1 MET 56 58.779 14.855 -4.074 450 HE2 MET 56 HE2 MET 56 58.995 13.203 -3.500 451 HE3 MET 56 HE3 MET 56 59.135 13.555 -5.220 452 H THR 57 HN THR 57 64.775 10.629 -6.653 453 HA THR 57 HA THR 57 66.982 10.558 -7.432 454 HB THR 57 HB THR 57 67.726 12.299 -5.077 455 HG1 THR 57 HG1 THR 57 66.571 13.217 -7.485 456 HG21 THR 57 HG21 THR 57 68.609 12.145 -7.972 457 HG22 THR 57 HG22 THR 57 69.546 11.660 -6.559 458 HG23 THR 57 HG23 THR 57 69.165 13.361 -6.824 459 H GLN 58 HN GLN 58 66.007 9.167 -4.629 460 HA GLN 58 HA GLN 58 68.479 8.435 -3.363 461 HB2 GLN 58 HB2 GLN 58 66.183 8.173 -2.350 462 HB3 GLN 58 HB1 GLN 58 65.916 6.814 -3.444 463 HG2 GLN 58 HG2 GLN 58 67.788 5.602 -2.485 464 HG3 GLN 58 HG1 GLN 58 68.226 6.990 -1.489 465 HE21 GLN 58 HE21 GLN 58 65.652 4.547 -1.974 466 HE22 GLN 58 HE22 GLN 58 65.021 4.669 -0.403 467 H ARG 59 HN ARG 59 70.063 7.266 -4.272 468 HA ARG 59 HA ARG 59 69.621 5.712 -6.683 469 HB2 ARG 59 HB2 ARG 59 71.784 6.976 -5.648 470 HB3 ARG 59 HB1 ARG 59 72.131 5.345 -5.085 471 HG2 ARG 59 HG2 ARG 59 71.570 6.136 -7.964 472 HG3 ARG 59 HG1 ARG 59 73.158 5.762 -7.293 473 HD2 ARG 59 HD2 ARG 59 72.249 3.489 -6.654 474 HD3 ARG 59 HD1 ARG 59 70.802 3.883 -7.584 475 HE ARG 59 HE ARG 59 72.872 4.346 -9.363 476 HH11 ARG 59 HH21 ARG 59 71.860 1.754 -7.327 477 HH12 ARG 59 HH22 ARG 59 72.469 0.518 -8.376 478 HH21 ARG 59 HH11 ARG 59 73.671 2.747 -10.744 479 HH22 ARG 59 HH12 ARG 59 73.494 1.080 -10.310 480 H ARG 60 HN ARG 60 70.357 4.912 -3.283 481 HA ARG 60 HA ARG 60 70.261 2.051 -3.723 482 HB2 ARG 60 HB2 ARG 60 69.876 3.587 -1.135 483 HB3 ARG 60 HB1 ARG 60 70.299 1.881 -1.289 484 HG2 ARG 60 HG2 ARG 60 72.414 2.454 -2.351 485 HG3 ARG 60 HG1 ARG 60 71.985 4.166 -2.351 486 HD2 ARG 60 HD2 ARG 60 71.884 4.119 0.131 487 HD3 ARG 60 HD1 ARG 60 72.391 2.429 0.101 488 HE ARG 60 HE ARG 60 74.361 3.724 -1.347 489 HH11 ARG 60 HH21 ARG 60 72.878 4.105 1.743 490 HH12 ARG 60 HH22 ARG 60 74.299 4.756 2.491 491 HH21 ARG 60 HH11 ARG 60 76.222 4.572 -0.388 492 HH22 ARG 60 HH12 ARG 60 76.191 5.021 1.285 493 H ARG 61 HN ARG 61 68.500 1.516 -1.391 494 HA ARG 61 HA ARG 61 65.817 2.305 -2.429 495 HB2 ARG 61 HB2 ARG 61 66.779 -0.539 -1.982 496 HB3 ARG 61 HB1 ARG 61 65.083 -0.098 -2.179 497 HG2 ARG 61 HG2 ARG 61 67.262 0.495 -4.202 498 HG3 ARG 61 HG1 ARG 61 66.149 -0.865 -4.310 499 HD2 ARG 61 HD2 ARG 61 64.398 1.243 -3.963 500 HD3 ARG 61 HD1 ARG 61 65.672 1.999 -4.912 501 HE ARG 61 HE ARG 61 63.690 0.317 -5.970 502 HH11 ARG 61 HH21 ARG 61 67.142 0.453 -5.900 503 HH12 ARG 61 HH22 ARG 61 67.333 -0.536 -7.304 504 HH21 ARG 61 HH11 ARG 61 63.933 -0.951 -7.806 505 HH22 ARG 61 HH12 ARG 61 65.521 -1.324 -8.386 506 H GLY 62 HN GLY 62 66.946 3.380 -0.170 507 HA2 GLY 62 HA2 GLY 62 66.491 1.910 2.244 508 HA3 GLY 62 HA1 GLY 62 66.583 3.667 2.131 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 57.254 8.327 12.355 2 H2 MET 1 HT2 MET 1 56.904 9.975 12.138 3 H3 MET 1 HT3 MET 1 58.443 9.373 11.745 4 HA MET 1 HA MET 1 56.868 9.809 9.825 5 HB2 MET 1 HB2 MET 1 57.551 7.615 8.737 6 HB3 MET 1 HB1 MET 1 58.872 8.535 9.456 7 HG2 MET 1 HG2 MET 1 58.899 7.130 11.407 8 HG3 MET 1 HG1 MET 1 57.399 6.335 10.926 9 HE1 MET 1 HE1 MET 1 60.850 7.303 10.081 10 HE2 MET 1 HE2 MET 1 60.493 7.186 8.359 11 HE3 MET 1 HE3 MET 1 61.561 6.005 9.112 12 H VAL 2 HN VAL 2 55.333 8.399 8.462 13 HA VAL 2 HA VAL 2 53.549 6.659 10.073 14 HB VAL 2 HB VAL 2 52.517 9.094 8.584 15 HG11 VAL 2 HG11 VAL 2 50.390 8.447 9.776 16 HG12 VAL 2 HG12 VAL 2 51.189 6.954 10.272 17 HG13 VAL 2 HG13 VAL 2 50.915 7.282 8.560 18 HG21 VAL 2 HG21 VAL 2 51.881 9.829 10.931 19 HG22 VAL 2 HG22 VAL 2 53.610 9.861 10.588 20 HG23 VAL 2 HG23 VAL 2 52.925 8.543 11.536 21 H ARG 3 HN ARG 3 54.327 8.127 6.934 22 HA ARG 3 HA ARG 3 52.698 6.483 5.296 23 HB2 ARG 3 HB2 ARG 3 55.469 7.553 4.673 24 HB3 ARG 3 HB1 ARG 3 54.276 7.014 3.490 25 HG2 ARG 3 HG2 ARG 3 52.755 8.789 4.116 26 HG3 ARG 3 HG1 ARG 3 53.790 9.261 5.465 27 HD2 ARG 3 HD2 ARG 3 54.685 9.314 2.570 28 HD3 ARG 3 HD1 ARG 3 54.036 10.719 3.419 29 HE ARG 3 HE ARG 3 56.083 9.839 5.066 30 HH11 ARG 3 HH21 ARG 3 55.728 10.663 1.737 31 HH12 ARG 3 HH22 ARG 3 57.355 11.232 1.568 32 HH21 ARG 3 HH11 ARG 3 58.210 10.576 4.863 33 HH22 ARG 3 HH12 ARG 3 58.760 11.183 3.336 34 H GLN 4 HN GLN 4 55.747 5.829 6.910 35 HA GLN 4 HA GLN 4 56.471 3.473 5.457 36 HB2 GLN 4 HB2 GLN 4 57.894 4.786 7.131 37 HB3 GLN 4 HB1 GLN 4 57.009 3.931 8.396 38 HG2 GLN 4 HG2 GLN 4 57.686 1.766 7.358 39 HG3 GLN 4 HG1 GLN 4 58.653 2.663 6.187 40 HE21 GLN 4 HE21 GLN 4 58.281 2.226 9.743 41 HE22 GLN 4 HE22 GLN 4 59.916 2.512 10.099 42 H GLU 5 HN GLU 5 54.377 4.005 8.267 43 HA GLU 5 HA GLU 5 53.917 1.180 8.749 44 HB2 GLU 5 HB2 GLU 5 52.573 3.722 9.679 45 HB3 GLU 5 HB1 GLU 5 51.921 2.137 10.095 46 HG2 GLU 5 HG2 GLU 5 54.049 1.507 11.139 47 HG3 GLU 5 HG1 GLU 5 54.753 3.057 10.679 48 H GLU 6 HN GLU 6 51.954 3.761 7.214 49 HA GLU 6 HA GLU 6 49.749 2.127 6.537 50 HB2 GLU 6 HB2 GLU 6 50.890 4.607 5.219 51 HB3 GLU 6 HB1 GLU 6 49.449 3.800 4.597 52 HG2 GLU 6 HG2 GLU 6 48.327 4.072 6.750 53 HG3 GLU 6 HG1 GLU 6 49.781 4.791 7.443 54 H LEU 7 HN LEU 7 52.969 2.111 5.253 55 HA LEU 7 HA LEU 7 52.231 0.896 2.704 56 HB2 LEU 7 HB2 LEU 7 54.424 2.223 3.439 57 HB3 LEU 7 HB1 LEU 7 54.983 0.620 3.898 58 HG LEU 7 HG LEU 7 53.911 1.347 1.151 59 HD11 LEU 7 HD11 LEU 7 56.228 1.291 0.414 60 HD12 LEU 7 HD12 LEU 7 56.769 0.859 2.037 61 HD13 LEU 7 HD13 LEU 7 56.080 2.454 1.732 62 HD21 LEU 7 HD21 LEU 7 53.585 -0.981 1.471 63 HD22 LEU 7 HD22 LEU 7 55.086 -1.156 2.378 64 HD23 LEU 7 HD23 LEU 7 55.134 -0.880 0.637 65 H ALA 8 HN ALA 8 53.697 -0.273 5.744 66 HA ALA 8 HA ALA 8 53.890 -3.003 5.048 67 HB1 ALA 8 HB1 ALA 8 53.801 -3.452 7.487 68 HB2 ALA 8 HB2 ALA 8 53.259 -1.796 7.761 69 HB3 ALA 8 HB3 ALA 8 54.870 -2.101 7.111 70 H ALA 9 HN ALA 9 51.085 -1.089 5.822 71 HA ALA 9 HA ALA 9 49.348 -3.332 6.460 72 HB1 ALA 9 HB1 ALA 9 47.524 -1.567 6.046 73 HB2 ALA 9 HB2 ALA 9 48.845 -0.428 5.783 74 HB3 ALA 9 HB3 ALA 9 48.668 -1.225 7.345 75 H ALA 10 HN ALA 10 49.553 -1.138 3.624 76 HA ALA 10 HA ALA 10 47.736 -2.641 2.031 77 HB1 ALA 10 HB1 ALA 10 49.927 -0.677 1.403 78 HB2 ALA 10 HB2 ALA 10 48.189 -0.507 1.172 79 HB3 ALA 10 HB3 ALA 10 49.124 -1.538 0.089 80 H ARG 11 HN ARG 11 51.131 -3.027 2.746 81 HA ARG 11 HA ARG 11 51.720 -4.928 0.656 82 HB2 ARG 11 HB2 ARG 11 53.273 -3.551 2.339 83 HB3 ARG 11 HB1 ARG 11 53.110 -4.990 3.338 84 HG2 ARG 11 HG2 ARG 11 54.916 -5.726 2.123 85 HG3 ARG 11 HG1 ARG 11 53.695 -6.152 0.927 86 HD2 ARG 11 HD2 ARG 11 53.991 -3.867 -0.079 87 HD3 ARG 11 HD1 ARG 11 55.333 -3.608 1.036 88 HE ARG 11 HE ARG 11 55.972 -5.993 -0.223 89 HH11 ARG 11 HH21 ARG 11 55.095 -2.807 -1.207 90 HH12 ARG 11 HH22 ARG 11 56.024 -2.859 -2.667 91 HH21 ARG 11 HH11 ARG 11 57.190 -6.080 -2.124 92 HH22 ARG 11 HH12 ARG 11 57.210 -4.712 -3.187 93 H ALA 12 HN ALA 12 50.927 -5.292 4.174 94 HA ALA 12 HA ALA 12 50.915 -8.103 4.257 95 HB1 ALA 12 HB1 ALA 12 49.362 -7.889 6.167 96 HB2 ALA 12 HB2 ALA 12 49.055 -6.212 5.719 97 HB3 ALA 12 HB3 ALA 12 50.657 -6.696 6.272 98 H ALA 13 HN ALA 13 48.869 -5.979 2.649 99 HA ALA 13 HA ALA 13 46.583 -7.779 2.440 100 HB1 ALA 13 HB1 ALA 13 46.607 -5.176 2.264 101 HB2 ALA 13 HB2 ALA 13 45.546 -6.086 1.191 102 HB3 ALA 13 HB3 ALA 13 47.079 -5.453 0.589 103 H LEU 14 HN LEU 14 49.398 -6.927 0.409 104 HA LEU 14 HA LEU 14 48.488 -8.338 -1.890 105 HB2 LEU 14 HB2 LEU 14 50.899 -6.992 -1.173 106 HB3 LEU 14 HB1 LEU 14 51.369 -8.572 -1.763 107 HG LEU 14 HG LEU 14 49.477 -6.738 -3.271 108 HD11 LEU 14 HD11 LEU 14 52.430 -7.145 -3.784 109 HD12 LEU 14 HD12 LEU 14 51.780 -5.751 -2.923 110 HD13 LEU 14 HD13 LEU 14 51.341 -6.028 -4.604 111 HD21 LEU 14 HD21 LEU 14 49.711 -8.253 -5.049 112 HD22 LEU 14 HD22 LEU 14 49.628 -9.321 -3.650 113 HD23 LEU 14 HD23 LEU 14 51.187 -8.957 -4.385 114 H HIS 15 HN HIS 15 50.061 -9.451 1.053 115 HA HIS 15 HA HIS 15 50.564 -12.127 0.012 116 HB2 HIS 15 HB2 HIS 15 51.858 -11.136 1.904 117 HB3 HIS 15 HB1 HIS 15 50.398 -11.189 2.892 118 HD1 HIS 15 HD1 HIS 15 52.811 -13.492 1.092 119 HD2 HIS 15 HD2 HIS 15 49.813 -13.701 3.981 120 HE1 HIS 15 HE1 HIS 15 52.879 -15.845 2.025 121 H ASP 16 HN ASP 16 47.982 -10.533 1.796 122 HA ASP 16 HA ASP 16 46.548 -12.991 2.383 123 HB2 ASP 16 HB2 ASP 16 45.518 -10.147 2.365 124 HB3 ASP 16 HB1 ASP 16 44.791 -11.524 3.188 125 H LEU 17 HN LEU 17 46.836 -11.033 -0.436 126 HA LEU 17 HA LEU 17 44.192 -11.883 -1.486 127 HB2 LEU 17 HB2 LEU 17 46.354 -10.102 -2.647 128 HB3 LEU 17 HB1 LEU 17 44.857 -10.493 -3.475 129 HG LEU 17 HG LEU 17 44.871 -9.306 -0.694 130 HD11 LEU 17 HD11 LEU 17 45.049 -7.918 -3.371 131 HD12 LEU 17 HD12 LEU 17 46.049 -7.666 -1.943 132 HD13 LEU 17 HD13 LEU 17 44.375 -7.116 -1.954 133 HD21 LEU 17 HD21 LEU 17 42.613 -8.433 -1.638 134 HD22 LEU 17 HD22 LEU 17 42.715 -10.139 -1.218 135 HD23 LEU 17 HD23 LEU 17 42.831 -9.638 -2.902 136 H MET 18 HN MET 18 47.576 -12.748 -1.789 137 HA MET 18 HA MET 18 47.033 -14.365 -4.216 138 HB2 MET 18 HB2 MET 18 49.461 -13.435 -2.744 139 HB3 MET 18 HB1 MET 18 49.606 -14.987 -3.565 140 HG2 MET 18 HG2 MET 18 49.257 -14.051 -5.682 141 HG3 MET 18 HG1 MET 18 48.434 -12.633 -5.035 142 HE1 MET 18 HE1 MET 18 49.943 -11.747 -7.006 143 HE2 MET 18 HE2 MET 18 51.155 -13.015 -7.174 144 HE3 MET 18 HE3 MET 18 51.663 -11.359 -6.854 145 H THR 19 HN THR 19 46.701 -14.772 -0.889 146 HA THR 19 HA THR 19 47.463 -17.633 -0.895 147 HB THR 19 HB THR 19 46.431 -17.419 1.513 148 HG1 THR 19 HG1 THR 19 46.992 -14.704 1.007 149 HG21 THR 19 HG21 THR 19 48.917 -15.861 0.743 150 HG22 THR 19 HG22 THR 19 48.848 -17.603 1.003 151 HG23 THR 19 HG23 THR 19 48.549 -16.500 2.345 152 H GLY 20 HN GLY 20 44.789 -15.856 -1.865 153 HA2 GLY 20 HA2 GLY 20 43.017 -17.378 -2.890 154 HA3 GLY 20 HA1 GLY 20 42.915 -18.145 -1.309 155 H LYS 21 HN LYS 21 42.880 -15.991 0.418 156 HA LYS 21 HA LYS 21 40.199 -15.146 0.352 157 HB2 LYS 21 HB2 LYS 21 42.503 -13.615 1.597 158 HB3 LYS 21 HB1 LYS 21 40.802 -13.519 2.057 159 HG2 LYS 21 HG2 LYS 21 41.011 -16.103 2.438 160 HG3 LYS 21 HG1 LYS 21 42.746 -15.789 2.474 161 HD2 LYS 21 HD2 LYS 21 42.402 -14.132 4.280 162 HD3 LYS 21 HD1 LYS 21 40.672 -14.471 4.252 163 HE2 LYS 21 HE2 LYS 21 41.083 -16.799 4.873 164 HE3 LYS 21 HE1 LYS 21 42.825 -16.530 4.812 165 HZ1 LYS 21 HZ1 LYS 21 42.706 -15.052 6.634 166 HZ2 LYS 21 HZ2 LYS 21 41.802 -16.422 7.075 167 HZ3 LYS 21 HZ3 LYS 21 41.011 -15.000 6.588 168 H ARG 22 HN ARG 22 39.331 -14.072 -1.350 169 HA ARG 22 HA ARG 22 40.875 -12.253 -2.972 170 HB2 ARG 22 HB2 ARG 22 39.039 -13.751 -3.818 171 HB3 ARG 22 HB1 ARG 22 37.886 -12.721 -2.971 172 HG2 ARG 22 HG2 ARG 22 38.857 -10.766 -4.263 173 HG3 ARG 22 HG1 ARG 22 39.728 -11.947 -5.238 174 HD2 ARG 22 HD2 ARG 22 36.751 -11.533 -5.009 175 HD3 ARG 22 HD1 ARG 22 37.746 -11.563 -6.464 176 HE ARG 22 HE ARG 22 38.051 -14.104 -5.407 177 HH11 ARG 22 HH21 ARG 22 35.416 -12.047 -6.246 178 HH12 ARG 22 HH22 ARG 22 34.356 -13.353 -6.666 179 HH21 ARG 22 HH11 ARG 22 36.685 -15.821 -5.952 180 HH22 ARG 22 HH12 ARG 22 35.075 -15.488 -6.499 181 H VAL 23 HN VAL 23 38.154 -11.881 -0.679 182 HA VAL 23 HA VAL 23 38.234 -8.948 -0.962 183 HB VAL 23 HB VAL 23 36.806 -10.609 1.139 184 HG11 VAL 23 HG11 VAL 23 37.003 -8.169 1.582 185 HG12 VAL 23 HG12 VAL 23 35.333 -8.645 1.269 186 HG13 VAL 23 HG13 VAL 23 36.272 -7.841 0.011 187 HG21 VAL 23 HG21 VAL 23 34.835 -10.276 -0.458 188 HG22 VAL 23 HG22 VAL 23 36.059 -11.431 -0.989 189 HG23 VAL 23 HG23 VAL 23 36.020 -9.806 -1.676 190 H ALA 24 HN ALA 24 39.336 -7.551 0.291 191 HA ALA 24 HA ALA 24 40.498 -8.457 2.888 192 HB1 ALA 24 HB1 ALA 24 42.088 -7.116 0.679 193 HB2 ALA 24 HB2 ALA 24 42.260 -8.796 1.183 194 HB3 ALA 24 HB3 ALA 24 42.686 -7.495 2.293 195 H THR 25 HN THR 25 40.970 -6.646 4.305 196 HA THR 25 HA THR 25 39.462 -4.158 3.538 197 HB THR 25 HB THR 25 40.408 -4.977 6.298 198 HG1 THR 25 HG1 THR 25 38.948 -6.465 6.114 199 HG21 THR 25 HG21 THR 25 39.771 -2.586 5.824 200 HG22 THR 25 HG22 THR 25 38.780 -3.372 7.053 201 HG23 THR 25 HG23 THR 25 38.154 -3.162 5.417 202 H VAL 26 HN VAL 26 40.456 -2.102 3.832 203 HA VAL 26 HA VAL 26 43.339 -2.054 4.560 204 HB VAL 26 HB VAL 26 42.403 -0.574 2.107 205 HG11 VAL 26 HG11 VAL 26 45.096 -1.806 2.690 206 HG12 VAL 26 HG12 VAL 26 44.652 -0.210 3.294 207 HG13 VAL 26 HG13 VAL 26 44.703 -0.512 1.557 208 HG21 VAL 26 HG21 VAL 26 43.343 -2.556 0.806 209 HG22 VAL 26 HG22 VAL 26 41.763 -2.798 1.552 210 HG23 VAL 26 HG23 VAL 26 43.208 -3.479 2.301 211 H GLN 27 HN GLN 27 43.628 -0.439 5.976 212 HA GLN 27 HA GLN 27 41.555 1.639 6.284 213 HB2 GLN 27 HB2 GLN 27 44.028 0.866 7.841 214 HB3 GLN 27 HB1 GLN 27 43.157 2.361 8.186 215 HG2 GLN 27 HG2 GLN 27 42.335 0.581 9.647 216 HG3 GLN 27 HG1 GLN 27 41.072 1.038 8.502 217 HE21 GLN 27 HE21 GLN 27 40.024 -1.036 8.414 218 HE22 GLN 27 HE22 GLN 27 40.779 -2.413 7.770 219 H LYS 28 HN LYS 28 41.702 3.435 5.039 220 HA LYS 28 HA LYS 28 44.412 4.395 4.201 221 HB2 LYS 28 HB2 LYS 28 42.686 3.763 2.405 222 HB3 LYS 28 HB1 LYS 28 41.773 5.179 2.934 223 HG2 LYS 28 HG2 LYS 28 43.719 6.615 2.484 224 HG3 LYS 28 HG1 LYS 28 44.650 5.206 1.976 225 HD2 LYS 28 HD2 LYS 28 43.065 4.789 0.149 226 HD3 LYS 28 HD1 LYS 28 42.083 6.158 0.671 227 HE2 LYS 28 HE2 LYS 28 43.938 7.694 0.230 228 HE3 LYS 28 HE1 LYS 28 44.976 6.341 -0.221 229 HZ1 LYS 28 HZ1 LYS 28 42.567 7.336 -1.623 230 HZ2 LYS 28 HZ2 LYS 28 43.241 5.810 -1.945 231 HZ3 LYS 28 HZ3 LYS 28 44.150 7.218 -2.219 232 H ASP 29 HN ASP 29 44.884 6.650 4.628 233 HA ASP 29 HA ASP 29 43.736 7.825 6.918 234 HB2 ASP 29 HB2 ASP 29 45.935 8.475 5.938 235 HB3 ASP 29 HB1 ASP 29 45.081 9.268 4.614 236 H GLY 30 HN GLY 30 41.415 7.630 6.565 237 HA2 GLY 30 HA2 GLY 30 39.924 9.820 6.084 238 HA3 GLY 30 HA1 GLY 30 40.215 9.284 4.428 239 H ARG 31 HN ARG 31 40.069 6.515 4.698 240 HA ARG 31 HA ARG 31 37.793 5.651 6.231 241 HB2 ARG 31 HB2 ARG 31 37.142 7.134 3.915 242 HB3 ARG 31 HB1 ARG 31 36.882 5.461 3.442 243 HG2 ARG 31 HG2 ARG 31 35.729 6.702 5.963 244 HG3 ARG 31 HG1 ARG 31 34.855 6.576 4.437 245 HD2 ARG 31 HD2 ARG 31 35.317 4.076 4.510 246 HD3 ARG 31 HD1 ARG 31 35.876 4.313 6.166 247 HE ARG 31 HE ARG 31 33.379 5.501 6.147 248 HH11 ARG 31 HH21 ARG 31 34.694 2.448 5.233 249 HH12 ARG 31 HH22 ARG 31 33.251 1.566 5.607 250 HH21 ARG 31 HH11 ARG 31 31.488 4.366 6.641 251 HH22 ARG 31 HH12 ARG 31 31.436 2.651 6.403 252 H ARG 32 HN ARG 32 37.462 3.444 6.054 253 HA ARG 32 HA ARG 32 39.699 1.947 4.894 254 HB2 ARG 32 HB2 ARG 32 39.066 0.248 6.321 255 HB3 ARG 32 HB1 ARG 32 38.239 1.569 7.130 256 HG2 ARG 32 HG2 ARG 32 36.199 0.994 5.690 257 HG3 ARG 32 HG1 ARG 32 37.056 -0.462 5.217 258 HD2 ARG 32 HD2 ARG 32 36.470 -1.504 7.146 259 HD3 ARG 32 HD1 ARG 32 37.137 -0.207 8.123 260 HE ARG 32 HE ARG 32 34.375 -0.749 7.738 261 HH11 ARG 32 HH21 ARG 32 36.539 1.933 7.501 262 HH12 ARG 32 HH22 ARG 32 35.297 3.113 7.746 263 HH21 ARG 32 HH11 ARG 32 32.762 0.776 8.057 264 HH22 ARG 32 HH12 ARG 32 33.164 2.460 8.059 265 H VAL 33 HN VAL 33 39.522 0.417 3.164 266 HA VAL 33 HA VAL 33 36.906 0.289 1.727 267 HB VAL 33 HB VAL 33 39.508 1.118 0.397 268 HG11 VAL 33 HG11 VAL 33 38.273 -0.322 -1.091 269 HG12 VAL 33 HG12 VAL 33 37.955 1.333 -1.610 270 HG13 VAL 33 HG13 VAL 33 36.748 0.457 -0.673 271 HG21 VAL 33 HG21 VAL 33 37.963 3.126 -0.233 272 HG22 VAL 33 HG22 VAL 33 38.610 3.084 1.404 273 HG23 VAL 33 HG23 VAL 33 36.947 2.579 1.100 274 H GLU 34 HN GLU 34 36.631 -1.561 0.528 275 HA GLU 34 HA GLU 34 38.681 -3.693 0.984 276 HB2 GLU 34 HB2 GLU 34 35.671 -3.690 0.827 277 HB3 GLU 34 HB1 GLU 34 36.556 -5.182 0.509 278 HG2 GLU 34 HG2 GLU 34 37.528 -5.183 2.691 279 HG3 GLU 34 HG1 GLU 34 37.021 -3.521 2.996 280 H PHE 35 HN PHE 35 39.940 -3.799 -0.887 281 HA PHE 35 HA PHE 35 38.580 -3.673 -3.539 282 HB2 PHE 35 HB2 PHE 35 41.471 -3.696 -2.640 283 HB3 PHE 35 HB1 PHE 35 41.044 -4.003 -4.319 284 HD1 PHE 35 HD2 PHE 35 39.302 -2.234 -5.350 285 HD2 PHE 35 HD1 PHE 35 41.918 -1.492 -2.034 286 HE1 PHE 35 HE2 PHE 35 39.161 0.207 -5.776 287 HE2 PHE 35 HE1 PHE 35 41.795 0.933 -2.451 288 HZ PHE 35 HZ PHE 35 40.408 1.794 -4.330 289 H THR 36 HN THR 36 38.436 -5.523 -4.866 290 HA THR 36 HA THR 36 39.093 -8.127 -3.547 291 HB THR 36 HB THR 36 37.568 -9.109 -5.236 292 HG1 THR 36 HG1 THR 36 37.925 -7.684 -6.926 293 HG21 THR 36 HG21 THR 36 36.753 -7.991 -3.056 294 HG22 THR 36 HG22 THR 36 35.555 -8.322 -4.307 295 HG23 THR 36 HG23 THR 36 36.182 -6.688 -4.101 296 H ALA 37 HN ALA 37 40.123 -9.842 -5.088 297 HA ALA 37 HA ALA 37 42.492 -8.835 -6.262 298 HB1 ALA 37 HB1 ALA 37 42.163 -11.230 -5.725 299 HB2 ALA 37 HB2 ALA 37 42.731 -11.006 -7.375 300 HB3 ALA 37 HB3 ALA 37 41.033 -11.367 -7.071 301 H THR 38 HN THR 38 39.333 -8.577 -7.472 302 HA THR 38 HA THR 38 39.703 -8.762 -10.270 303 HB THR 38 HB THR 38 37.775 -7.189 -10.437 304 HG1 THR 38 HG1 THR 38 37.016 -6.215 -8.636 305 HG21 THR 38 HG21 THR 38 37.153 -9.038 -8.150 306 HG22 THR 38 HG22 THR 38 37.640 -9.721 -9.702 307 HG23 THR 38 HG23 THR 38 36.206 -8.701 -9.598 308 H SER 39 HN SER 39 40.691 -6.284 -8.007 309 HA SER 39 HA SER 39 41.880 -4.731 -10.292 310 HB2 SER 39 HB2 SER 39 41.269 -2.678 -9.289 311 HB3 SER 39 HB1 SER 39 39.824 -3.674 -9.139 312 HG SER 39 HG SER 39 40.039 -3.152 -7.101 313 H VAL 40 HN VAL 40 43.465 -6.601 -9.181 314 HA VAL 40 HA VAL 40 44.896 -5.551 -6.851 315 HB VAL 40 HB VAL 40 44.796 -7.950 -7.082 316 HG11 VAL 40 HG11 VAL 40 44.538 -7.973 -9.598 317 HG12 VAL 40 HG12 VAL 40 45.725 -9.140 -9.015 318 HG13 VAL 40 HG13 VAL 40 46.263 -7.627 -9.737 319 HG21 VAL 40 HG21 VAL 40 47.613 -7.165 -7.887 320 HG22 VAL 40 HG22 VAL 40 47.126 -8.482 -6.822 321 HG23 VAL 40 HG23 VAL 40 46.961 -6.806 -6.289 322 H SER 41 HN SER 41 44.983 -4.845 -10.189 323 HA SER 41 HA SER 41 47.821 -4.305 -10.419 324 HB2 SER 41 HB2 SER 41 46.839 -4.555 -12.514 325 HB3 SER 41 HB1 SER 41 45.376 -3.694 -12.043 326 HG SER 41 HG SER 41 46.527 -2.311 -13.313 327 H ASP 42 HN ASP 42 44.951 -2.255 -9.825 328 HA ASP 42 HA ASP 42 46.276 0.245 -9.711 329 HB2 ASP 42 HB2 ASP 42 44.401 1.012 -8.356 330 HB3 ASP 42 HB1 ASP 42 43.789 -0.085 -9.592 331 H LEU 43 HN LEU 43 46.020 -2.345 -7.245 332 HA LEU 43 HA LEU 43 47.108 -0.805 -5.097 333 HB2 LEU 43 HB2 LEU 43 45.952 -3.155 -5.098 334 HB3 LEU 43 HB1 LEU 43 47.569 -3.773 -5.414 335 HG LEU 43 HG LEU 43 48.394 -2.704 -3.337 336 HD11 LEU 43 HD11 LEU 43 45.640 -1.522 -3.359 337 HD12 LEU 43 HD12 LEU 43 47.153 -0.835 -2.777 338 HD13 LEU 43 HD13 LEU 43 46.281 -1.995 -1.786 339 HD21 LEU 43 HD21 LEU 43 47.373 -4.261 -1.834 340 HD22 LEU 43 HD22 LEU 43 47.312 -5.018 -3.424 341 HD23 LEU 43 HD23 LEU 43 45.868 -4.267 -2.749 342 H LYS 44 HN LYS 44 48.601 -2.759 -7.658 343 HA LYS 44 HA LYS 44 51.291 -2.568 -6.657 344 HB2 LYS 44 HB2 LYS 44 50.025 -3.195 -9.306 345 HB3 LYS 44 HB1 LYS 44 51.744 -2.806 -9.299 346 HG2 LYS 44 HG2 LYS 44 52.260 -4.623 -7.854 347 HG3 LYS 44 HG1 LYS 44 50.569 -4.866 -7.425 348 HD2 LYS 44 HD2 LYS 44 50.038 -5.738 -9.577 349 HD3 LYS 44 HD1 LYS 44 51.559 -5.164 -10.265 350 HE2 LYS 44 HE2 LYS 44 51.427 -7.213 -8.043 351 HE3 LYS 44 HE1 LYS 44 51.482 -7.650 -9.751 352 HZ1 LYS 44 HZ1 LYS 44 53.469 -5.742 -8.785 353 HZ2 LYS 44 HZ2 LYS 44 53.613 -6.959 -9.961 354 HZ3 LYS 44 HZ3 LYS 44 53.657 -7.359 -8.311 355 H LYS 45 HN LYS 45 49.430 -0.526 -8.921 356 HA LYS 45 HA LYS 45 51.561 1.293 -9.506 357 HB2 LYS 45 HB2 LYS 45 49.571 1.199 -10.890 358 HB3 LYS 45 HB1 LYS 45 48.554 1.637 -9.520 359 HG2 LYS 45 HG2 LYS 45 49.461 3.845 -9.421 360 HG3 LYS 45 HG1 LYS 45 50.788 3.421 -10.504 361 HD2 LYS 45 HD2 LYS 45 49.140 4.678 -11.771 362 HD3 LYS 45 HD1 LYS 45 49.108 3.002 -12.317 363 HE2 LYS 45 HE2 LYS 45 47.243 3.936 -10.137 364 HE3 LYS 45 HE1 LYS 45 46.840 4.178 -11.835 365 HZ1 LYS 45 HZ1 LYS 45 46.386 1.916 -10.404 366 HZ2 LYS 45 HZ2 LYS 45 47.788 1.533 -11.284 367 HZ3 LYS 45 HZ3 LYS 45 46.381 2.033 -12.096 368 H TYR 46 HN TYR 46 49.009 1.319 -7.029 369 HA TYR 46 HA TYR 46 49.585 3.879 -5.924 370 HB2 TYR 46 HB2 TYR 46 47.557 2.601 -5.378 371 HB3 TYR 46 HB1 TYR 46 48.533 1.369 -4.589 372 HD1 TYR 46 HD1 TYR 46 48.237 5.124 -4.497 373 HD2 TYR 46 HD2 TYR 46 48.548 1.467 -2.257 374 HE1 TYR 46 HE1 TYR 46 48.115 6.406 -2.380 375 HE2 TYR 46 HE2 TYR 46 48.424 2.751 -0.143 376 HH TYR 46 HH TYR 46 48.166 4.751 0.779 377 H ILE 47 HN ILE 47 50.734 0.645 -4.905 378 HA ILE 47 HA ILE 47 52.468 1.470 -2.840 379 HB ILE 47 HB ILE 47 52.838 -0.775 -4.842 380 HG12 ILE 47 HG12 ILE 47 51.852 -1.024 -1.996 381 HG13 ILE 47 HG11 ILE 47 50.732 -0.667 -3.310 382 HG21 ILE 47 HG21 ILE 47 54.954 -0.409 -3.807 383 HG22 ILE 47 HG22 ILE 47 54.221 -1.745 -2.921 384 HG23 ILE 47 HG23 ILE 47 54.216 -0.123 -2.231 385 HD11 ILE 47 HD11 ILE 47 52.655 -2.955 -3.631 386 HD12 ILE 47 HD12 ILE 47 51.056 -2.730 -4.335 387 HD13 ILE 47 HD13 ILE 47 51.214 -3.175 -2.636 388 H ALA 48 HN ALA 48 53.226 0.968 -6.292 389 HA ALA 48 HA ALA 48 55.917 1.718 -6.267 390 HB1 ALA 48 HB1 ALA 48 54.763 0.829 -8.258 391 HB2 ALA 48 HB2 ALA 48 55.618 2.324 -8.637 392 HB3 ALA 48 HB3 ALA 48 53.869 2.341 -8.414 393 H GLU 49 HN GLU 49 53.058 3.835 -6.490 394 HA GLU 49 HA GLU 49 54.427 6.269 -6.925 395 HB2 GLU 49 HB2 GLU 49 51.851 5.678 -6.848 396 HB3 GLU 49 HB1 GLU 49 51.981 6.178 -5.164 397 HG2 GLU 49 HG2 GLU 49 52.820 7.853 -7.550 398 HG3 GLU 49 HG1 GLU 49 51.323 8.058 -6.644 399 H LEU 50 HN LEU 50 54.018 4.391 -3.978 400 HA LEU 50 HA LEU 50 54.907 6.584 -2.247 401 HB2 LEU 50 HB2 LEU 50 54.811 3.637 -1.563 402 HB3 LEU 50 HB1 LEU 50 54.780 5.000 -0.448 403 HG LEU 50 HG LEU 50 52.626 4.259 -2.450 404 HD11 LEU 50 HD11 LEU 50 52.633 4.360 0.580 405 HD12 LEU 50 HD12 LEU 50 52.699 2.888 -0.390 406 HD13 LEU 50 HD13 LEU 50 51.265 3.911 -0.437 407 HD21 LEU 50 HD21 LEU 50 53.043 6.697 -0.712 408 HD22 LEU 50 HD22 LEU 50 51.419 6.182 -1.166 409 HD23 LEU 50 HD23 LEU 50 52.583 6.622 -2.413 410 H GLU 51 HN GLU 51 56.415 3.851 -3.897 411 HA GLU 51 HA GLU 51 58.893 3.914 -2.451 412 HB2 GLU 51 HB2 GLU 51 58.185 2.998 -5.246 413 HB3 GLU 51 HB1 GLU 51 59.813 2.851 -4.585 414 HG2 GLU 51 HG2 GLU 51 59.099 1.383 -2.858 415 HG3 GLU 51 HG1 GLU 51 57.399 1.772 -3.121 416 H VAL 52 HN VAL 52 57.616 5.834 -5.101 417 HA VAL 52 HA VAL 52 60.207 7.092 -5.664 418 HB VAL 52 HB VAL 52 57.443 7.959 -6.568 419 HG11 VAL 52 HG11 VAL 52 58.837 8.872 -8.495 420 HG12 VAL 52 HG12 VAL 52 60.264 8.532 -7.516 421 HG13 VAL 52 HG13 VAL 52 59.063 9.693 -6.950 422 HG21 VAL 52 HG21 VAL 52 57.966 6.667 -8.631 423 HG22 VAL 52 HG22 VAL 52 57.853 5.621 -7.216 424 HG23 VAL 52 HG23 VAL 52 59.433 6.063 -7.862 425 H GLN 53 HN GLN 53 57.362 7.740 -3.692 426 HA GLN 53 HA GLN 53 57.956 10.515 -3.199 427 HB2 GLN 53 HB2 GLN 53 55.738 9.234 -2.818 428 HB3 GLN 53 HB1 GLN 53 56.463 8.692 -1.304 429 HG2 GLN 53 HG2 GLN 53 56.858 11.053 -0.669 430 HG3 GLN 53 HG1 GLN 53 56.079 11.569 -2.164 431 HE21 GLN 53 HE21 GLN 53 53.755 11.414 -2.300 432 HE22 GLN 53 HE22 GLN 53 52.792 11.009 -0.963 433 H THR 54 HN THR 54 58.973 7.474 -1.749 434 HA THR 54 HA THR 54 60.287 8.842 0.515 435 HB THR 54 HB THR 54 61.184 6.374 0.828 436 HG1 THR 54 HG1 THR 54 60.219 6.020 -1.422 437 HG21 THR 54 HG21 THR 54 58.242 7.056 1.112 438 HG22 THR 54 HG22 THR 54 59.505 7.432 2.284 439 HG23 THR 54 HG23 THR 54 59.077 5.753 1.956 440 H GLY 55 HN GLY 55 61.027 9.089 -2.494 441 HA2 GLY 55 HA2 GLY 55 63.866 9.337 -2.068 442 HA3 GLY 55 HA1 GLY 55 63.491 7.947 -3.083 443 H MET 56 HN MET 56 63.176 11.463 -2.845 444 HA MET 56 HA MET 56 61.959 11.859 -5.411 445 HB2 MET 56 HB2 MET 56 63.716 13.668 -3.728 446 HB3 MET 56 HB1 MET 56 62.884 14.193 -5.192 447 HG2 MET 56 HG2 MET 56 61.472 14.777 -3.331 448 HG3 MET 56 HG1 MET 56 60.726 13.397 -4.134 449 HE1 MET 56 HE1 MET 56 59.397 13.563 -1.903 450 HE2 MET 56 HE2 MET 56 60.469 14.543 -0.904 451 HE3 MET 56 HE3 MET 56 59.955 12.955 -0.339 452 H THR 57 HN THR 57 63.082 10.544 -6.929 453 HA THR 57 HA THR 57 65.974 10.902 -7.306 454 HB THR 57 HB THR 57 65.499 9.413 -9.346 455 HG1 THR 57 HG1 THR 57 63.486 9.111 -9.780 456 HG21 THR 57 HG21 THR 57 66.314 8.585 -7.136 457 HG22 THR 57 HG22 THR 57 65.286 7.418 -7.966 458 HG23 THR 57 HG23 THR 57 64.638 8.373 -6.633 459 H GLN 58 HN GLN 58 64.159 13.236 -7.632 460 HA GLN 58 HA GLN 58 65.289 14.247 -10.112 461 HB2 GLN 58 HB2 GLN 58 63.332 12.901 -10.936 462 HB3 GLN 58 HB1 GLN 58 62.276 13.947 -9.984 463 HG2 GLN 58 HG2 GLN 58 63.003 15.903 -11.238 464 HG3 GLN 58 HG1 GLN 58 64.186 14.936 -12.121 465 HE21 GLN 58 HE21 GLN 58 63.418 14.575 -14.206 466 HE22 GLN 58 HE22 GLN 58 61.812 14.199 -14.602 467 H ARG 59 HN ARG 59 65.895 16.208 -9.368 468 HA ARG 59 HA ARG 59 65.763 18.328 -8.390 469 HB2 ARG 59 HB2 ARG 59 63.632 18.260 -9.883 470 HB3 ARG 59 HB1 ARG 59 62.757 18.029 -8.370 471 HG2 ARG 59 HG2 ARG 59 63.887 20.093 -7.478 472 HG3 ARG 59 HG1 ARG 59 64.559 20.358 -9.087 473 HD2 ARG 59 HD2 ARG 59 62.335 20.534 -10.047 474 HD3 ARG 59 HD1 ARG 59 61.596 20.100 -8.505 475 HE ARG 59 HE ARG 59 63.099 22.349 -7.905 476 HH11 ARG 59 HH21 ARG 59 60.706 21.488 -10.233 477 HH12 ARG 59 HH22 ARG 59 60.057 23.089 -10.354 478 HH21 ARG 59 HH11 ARG 59 62.265 24.444 -8.050 479 HH22 ARG 59 HH12 ARG 59 60.939 24.763 -9.118 480 H ARG 60 HN ARG 60 65.916 19.015 -6.280 481 HA ARG 60 HA ARG 60 64.147 18.043 -4.189 482 HB2 ARG 60 HB2 ARG 60 65.893 16.843 -2.899 483 HB3 ARG 60 HB1 ARG 60 65.570 16.052 -4.442 484 HG2 ARG 60 HG2 ARG 60 67.514 17.348 -5.410 485 HG3 ARG 60 HG1 ARG 60 67.895 17.873 -3.769 486 HD2 ARG 60 HD2 ARG 60 67.777 15.006 -4.749 487 HD3 ARG 60 HD1 ARG 60 69.234 15.903 -4.325 488 HE ARG 60 HE ARG 60 67.689 16.028 -2.028 489 HH11 ARG 60 HH21 ARG 60 68.842 13.558 -4.138 490 HH12 ARG 60 HH22 ARG 60 68.944 12.358 -2.893 491 HH21 ARG 60 HH11 ARG 60 67.816 14.475 -0.390 492 HH22 ARG 60 HH12 ARG 60 68.364 12.877 -0.771 493 H ARG 61 HN ARG 61 64.393 19.288 -2.289 494 HA ARG 61 HA ARG 61 65.626 21.853 -2.589 495 HB2 ARG 61 HB2 ARG 61 64.876 20.509 0.023 496 HB3 ARG 61 HB1 ARG 61 64.990 22.241 -0.292 497 HG2 ARG 61 HG2 ARG 61 63.142 22.069 -1.921 498 HG3 ARG 61 HG1 ARG 61 63.019 20.339 -1.593 499 HD2 ARG 61 HD2 ARG 61 62.407 20.758 0.713 500 HD3 ARG 61 HD1 ARG 61 62.713 22.484 0.526 501 HE ARG 61 HE ARG 61 60.791 21.945 -1.394 502 HH11 ARG 61 HH21 ARG 61 61.168 21.411 1.991 503 HH12 ARG 61 HH22 ARG 61 59.472 21.516 2.331 504 HH21 ARG 61 HH11 ARG 61 58.575 22.085 -0.970 505 HH22 ARG 61 HH12 ARG 61 58.005 21.897 0.655 506 H GLY 62 HN GLY 62 66.564 20.995 0.464 507 HA2 GLY 62 HA2 GLY 62 69.094 19.697 -0.082 508 HA3 GLY 62 HA1 GLY 62 69.298 21.436 0.132 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 59.179 11.017 9.339 2 H2 MET 1 HT2 MET 1 58.912 9.683 10.356 3 H3 MET 1 HT3 MET 1 57.888 11.035 10.439 4 HA MET 1 HA MET 1 56.950 10.595 8.330 5 HB2 MET 1 HB2 MET 1 57.787 8.604 7.024 6 HB3 MET 1 HB1 MET 1 58.941 9.933 7.129 7 HG2 MET 1 HG2 MET 1 60.076 8.802 9.007 8 HG3 MET 1 HG1 MET 1 58.925 7.471 8.900 9 HE1 MET 1 HE1 MET 1 61.353 6.234 8.911 10 HE2 MET 1 HE2 MET 1 62.276 7.703 8.600 11 HE3 MET 1 HE3 MET 1 62.492 6.298 7.558 12 H VAL 2 HN VAL 2 55.477 8.692 7.846 13 HA VAL 2 HA VAL 2 55.268 6.702 10.040 14 HB VAL 2 HB VAL 2 52.918 8.451 9.266 15 HG11 VAL 2 HG11 VAL 2 53.415 6.426 11.467 16 HG12 VAL 2 HG12 VAL 2 52.282 6.273 10.124 17 HG13 VAL 2 HG13 VAL 2 51.995 7.469 11.388 18 HG21 VAL 2 HG21 VAL 2 53.264 9.456 11.560 19 HG22 VAL 2 HG22 VAL 2 54.514 9.880 10.390 20 HG23 VAL 2 HG23 VAL 2 54.831 8.648 11.612 21 H ARG 3 HN ARG 3 54.715 7.731 6.804 22 HA ARG 3 HA ARG 3 52.763 5.836 5.963 23 HB2 ARG 3 HB2 ARG 3 55.107 6.871 4.341 24 HB3 ARG 3 HB1 ARG 3 53.585 6.236 3.713 25 HG2 ARG 3 HG2 ARG 3 52.378 8.084 4.878 26 HG3 ARG 3 HG1 ARG 3 53.933 8.747 5.378 27 HD2 ARG 3 HD2 ARG 3 53.354 9.941 3.401 28 HD3 ARG 3 HD1 ARG 3 54.559 8.757 2.893 29 HE ARG 3 HE ARG 3 52.148 7.451 2.497 30 HH11 ARG 3 HH21 ARG 3 53.530 10.478 1.593 31 HH12 ARG 3 HH22 ARG 3 52.663 10.577 0.097 32 HH21 ARG 3 HH11 ARG 3 51.008 7.564 0.548 33 HH22 ARG 3 HH12 ARG 3 51.235 8.928 -0.495 34 H GLN 4 HN GLN 4 56.056 5.435 6.910 35 HA GLN 4 HA GLN 4 56.815 3.142 5.440 36 HB2 GLN 4 HB2 GLN 4 58.236 4.486 7.074 37 HB3 GLN 4 HB1 GLN 4 57.445 3.583 8.367 38 HG2 GLN 4 HG2 GLN 4 58.211 1.464 7.367 39 HG3 GLN 4 HG1 GLN 4 58.999 2.360 6.066 40 HE21 GLN 4 HE21 GLN 4 59.234 1.466 9.467 41 HE22 GLN 4 HE22 GLN 4 60.781 2.116 9.721 42 H GLU 5 HN GLU 5 55.005 3.375 8.504 43 HA GLU 5 HA GLU 5 54.673 0.523 8.793 44 HB2 GLU 5 HB2 GLU 5 53.318 2.935 10.004 45 HB3 GLU 5 HB1 GLU 5 52.732 1.306 10.343 46 HG2 GLU 5 HG2 GLU 5 54.893 0.654 11.238 47 HG3 GLU 5 HG1 GLU 5 55.600 2.200 10.765 48 H GLU 6 HN GLU 6 52.580 3.099 7.466 49 HA GLU 6 HA GLU 6 50.348 1.436 6.902 50 HB2 GLU 6 HB2 GLU 6 51.338 3.996 5.617 51 HB3 GLU 6 HB1 GLU 6 49.875 3.180 5.063 52 HG2 GLU 6 HG2 GLU 6 48.919 3.323 7.317 53 HG3 GLU 6 HG1 GLU 6 50.394 4.086 7.910 54 H LEU 7 HN LEU 7 53.474 1.553 5.399 55 HA LEU 7 HA LEU 7 52.578 0.431 2.856 56 HB2 LEU 7 HB2 LEU 7 54.795 1.773 3.490 57 HB3 LEU 7 HB1 LEU 7 55.416 0.162 3.830 58 HG LEU 7 HG LEU 7 54.139 1.012 1.210 59 HD11 LEU 7 HD11 LEU 7 57.048 0.403 1.791 60 HD12 LEU 7 HD12 LEU 7 56.392 2.039 1.752 61 HD13 LEU 7 HD13 LEU 7 56.365 1.044 0.297 62 HD21 LEU 7 HD21 LEU 7 55.346 -1.563 2.232 63 HD22 LEU 7 HD22 LEU 7 55.301 -1.204 0.506 64 HD23 LEU 7 HD23 LEU 7 53.800 -1.320 1.419 65 H ALA 8 HN ALA 8 54.292 -0.836 5.723 66 HA ALA 8 HA ALA 8 54.478 -3.530 4.888 67 HB1 ALA 8 HB1 ALA 8 55.610 -2.693 6.902 68 HB2 ALA 8 HB2 ALA 8 54.607 -4.087 7.300 69 HB3 ALA 8 HB3 ALA 8 54.053 -2.460 7.695 70 H ALA 9 HN ALA 9 51.724 -1.715 6.022 71 HA ALA 9 HA ALA 9 50.088 -4.035 6.659 72 HB1 ALA 9 HB1 ALA 9 49.501 -2.000 7.763 73 HB2 ALA 9 HB2 ALA 9 48.218 -2.293 6.590 74 HB3 ALA 9 HB3 ALA 9 49.472 -1.102 6.246 75 H ALA 10 HN ALA 10 49.970 -1.630 3.984 76 HA ALA 10 HA ALA 10 48.027 -3.043 2.459 77 HB1 ALA 10 HB1 ALA 10 48.390 -0.867 1.682 78 HB2 ALA 10 HB2 ALA 10 49.264 -1.813 0.477 79 HB3 ALA 10 HB3 ALA 10 50.143 -1.017 1.783 80 H ARG 11 HN ARG 11 51.462 -3.462 2.869 81 HA ARG 11 HA ARG 11 51.884 -5.222 0.620 82 HB2 ARG 11 HB2 ARG 11 53.572 -3.959 2.254 83 HB3 ARG 11 HB1 ARG 11 53.465 -5.446 3.188 84 HG2 ARG 11 HG2 ARG 11 55.183 -6.108 1.806 85 HG3 ARG 11 HG1 ARG 11 53.862 -6.507 0.708 86 HD2 ARG 11 HD2 ARG 11 54.058 -4.180 -0.235 87 HD3 ARG 11 HD1 ARG 11 55.503 -3.962 0.749 88 HE ARG 11 HE ARG 11 56.007 -6.300 -0.651 89 HH11 ARG 11 HH21 ARG 11 55.044 -3.083 -1.431 90 HH12 ARG 11 HH22 ARG 11 55.824 -3.082 -2.977 91 HH21 ARG 11 HH11 ARG 11 57.032 -6.317 -2.665 92 HH22 ARG 11 HH12 ARG 11 56.950 -4.913 -3.676 93 H ALA 12 HN ALA 12 51.325 -5.806 4.156 94 HA ALA 12 HA ALA 12 51.313 -8.617 4.066 95 HB1 ALA 12 HB1 ALA 12 49.852 -8.523 6.064 96 HB2 ALA 12 HB2 ALA 12 49.543 -6.817 5.741 97 HB3 ALA 12 HB3 ALA 12 51.165 -7.351 6.178 98 H ALA 13 HN ALA 13 49.176 -6.401 2.720 99 HA ALA 13 HA ALA 13 46.877 -8.173 2.520 100 HB1 ALA 13 HB1 ALA 13 45.801 -6.414 1.411 101 HB2 ALA 13 HB2 ALA 13 47.300 -5.799 0.714 102 HB3 ALA 13 HB3 ALA 13 46.956 -5.551 2.425 103 H LEU 14 HN LEU 14 49.523 -7.154 0.314 104 HA LEU 14 HA LEU 14 48.548 -8.534 -1.950 105 HB2 LEU 14 HB2 LEU 14 51.033 -7.266 -1.262 106 HB3 LEU 14 HB1 LEU 14 51.405 -8.811 -1.999 107 HG LEU 14 HG LEU 14 49.467 -6.838 -3.246 108 HD11 LEU 14 HD11 LEU 14 51.744 -5.835 -2.964 109 HD12 LEU 14 HD12 LEU 14 51.271 -6.054 -4.644 110 HD13 LEU 14 HD13 LEU 14 52.403 -7.179 -3.895 111 HD21 LEU 14 HD21 LEU 14 49.599 -9.384 -3.840 112 HD22 LEU 14 HD22 LEU 14 51.111 -8.949 -4.633 113 HD23 LEU 14 HD23 LEU 14 49.596 -8.204 -5.147 114 H HIS 15 HN HIS 15 50.062 -9.712 0.948 115 HA HIS 15 HA HIS 15 50.618 -12.368 -0.126 116 HB2 HIS 15 HB2 HIS 15 51.829 -11.397 1.841 117 HB3 HIS 15 HB1 HIS 15 50.331 -11.501 2.767 118 HD1 HIS 15 HD1 HIS 15 53.077 -13.595 1.328 119 HD2 HIS 15 HD2 HIS 15 49.524 -14.171 3.430 120 HE1 HIS 15 HE1 HIS 15 53.090 -16.004 2.110 121 H ASP 16 HN ASP 16 47.968 -10.813 1.617 122 HA ASP 16 HA ASP 16 46.520 -13.292 2.065 123 HB2 ASP 16 HB2 ASP 16 46.323 -11.059 3.367 124 HB3 ASP 16 HB1 ASP 16 45.266 -10.547 2.052 125 H LEU 17 HN LEU 17 46.583 -10.863 -0.490 126 HA LEU 17 HA LEU 17 44.131 -11.835 -1.739 127 HB2 LEU 17 HB2 LEU 17 46.316 -10.079 -2.903 128 HB3 LEU 17 HB1 LEU 17 44.716 -10.319 -3.583 129 HG LEU 17 HG LEU 17 45.148 -9.241 -0.787 130 HD11 LEU 17 HD11 LEU 17 44.876 -7.003 -1.688 131 HD12 LEU 17 HD12 LEU 17 44.653 -7.641 -3.314 132 HD13 LEU 17 HD13 LEU 17 46.222 -7.775 -2.523 133 HD21 LEU 17 HD21 LEU 17 42.821 -8.269 -1.358 134 HD22 LEU 17 HD22 LEU 17 42.910 -9.997 -1.037 135 HD23 LEU 17 HD23 LEU 17 42.806 -9.411 -2.697 136 H MET 18 HN MET 18 47.505 -12.697 -1.893 137 HA MET 18 HA MET 18 47.114 -14.228 -4.403 138 HB2 MET 18 HB2 MET 18 49.380 -13.085 -2.950 139 HB3 MET 18 HB1 MET 18 49.697 -14.770 -3.345 140 HG2 MET 18 HG2 MET 18 50.492 -13.407 -5.178 141 HG3 MET 18 HG1 MET 18 49.048 -14.258 -5.727 142 HE1 MET 18 HE1 MET 18 48.551 -12.376 -7.786 143 HE2 MET 18 HE2 MET 18 50.208 -12.163 -7.227 144 HE3 MET 18 HE3 MET 18 49.178 -10.754 -7.463 145 H THR 19 HN THR 19 46.826 -14.738 -1.030 146 HA THR 19 HA THR 19 47.491 -17.620 -1.205 147 HB THR 19 HB THR 19 46.650 -17.493 1.271 148 HG1 THR 19 HG1 THR 19 45.763 -15.305 0.700 149 HG21 THR 19 HG21 THR 19 48.840 -16.623 1.986 150 HG22 THR 19 HG22 THR 19 49.104 -15.947 0.378 151 HG23 THR 19 HG23 THR 19 49.019 -17.695 0.596 152 H GLY 20 HN GLY 20 44.812 -15.726 -1.911 153 HA2 GLY 20 HA2 GLY 20 42.934 -17.182 -2.862 154 HA3 GLY 20 HA1 GLY 20 42.911 -17.976 -1.291 155 H LYS 21 HN LYS 21 43.051 -15.865 0.480 156 HA LYS 21 HA LYS 21 40.409 -14.938 0.617 157 HB2 LYS 21 HB2 LYS 21 42.759 -13.340 1.658 158 HB3 LYS 21 HB1 LYS 21 41.125 -13.416 2.314 159 HG2 LYS 21 HG2 LYS 21 41.709 -16.028 2.503 160 HG3 LYS 21 HG1 LYS 21 43.360 -15.409 2.540 161 HD2 LYS 21 HD2 LYS 21 42.555 -13.809 4.378 162 HD3 LYS 21 HD1 LYS 21 41.100 -14.800 4.454 163 HE2 LYS 21 HE2 LYS 21 42.784 -15.535 6.116 164 HE3 LYS 21 HE1 LYS 21 42.456 -16.794 4.925 165 HZ1 LYS 21 HZ1 LYS 21 44.872 -16.291 5.468 166 HZ2 LYS 21 HZ2 LYS 21 44.665 -14.864 4.568 167 HZ3 LYS 21 HZ3 LYS 21 44.450 -16.379 3.828 168 H ARG 22 HN ARG 22 39.538 -13.959 -1.200 169 HA ARG 22 HA ARG 22 41.063 -12.059 -2.769 170 HB2 ARG 22 HB2 ARG 22 39.092 -11.893 -4.150 171 HB3 ARG 22 HB1 ARG 22 39.320 -13.585 -3.709 172 HG2 ARG 22 HG2 ARG 22 37.706 -13.197 -1.791 173 HG3 ARG 22 HG1 ARG 22 37.354 -11.622 -2.504 174 HD2 ARG 22 HD2 ARG 22 35.724 -13.362 -3.223 175 HD3 ARG 22 HD1 ARG 22 36.623 -12.686 -4.580 176 HE ARG 22 HE ARG 22 38.106 -14.910 -3.840 177 HH11 ARG 22 HH21 ARG 22 34.822 -14.243 -4.649 178 HH12 ARG 22 HH22 ARG 22 34.533 -15.806 -5.335 179 HH21 ARG 22 HH11 ARG 22 37.749 -16.955 -4.734 180 HH22 ARG 22 HH12 ARG 22 36.191 -17.343 -5.383 181 H VAL 23 HN VAL 23 38.359 -11.772 -0.447 182 HA VAL 23 HA VAL 23 38.315 -8.840 -0.756 183 HB VAL 23 HB VAL 23 36.266 -10.174 -0.221 184 HG11 VAL 23 HG11 VAL 23 37.444 -10.454 2.553 185 HG12 VAL 23 HG12 VAL 23 37.581 -11.734 1.346 186 HG13 VAL 23 HG13 VAL 23 35.991 -11.218 1.908 187 HG21 VAL 23 HG21 VAL 23 36.445 -7.760 0.356 188 HG22 VAL 23 HG22 VAL 23 37.090 -8.201 1.936 189 HG23 VAL 23 HG23 VAL 23 35.435 -8.635 1.508 190 H ALA 24 HN ALA 24 39.395 -7.394 0.486 191 HA ALA 24 HA ALA 24 40.553 -8.236 3.095 192 HB1 ALA 24 HB1 ALA 24 42.327 -8.672 1.413 193 HB2 ALA 24 HB2 ALA 24 42.774 -7.366 2.509 194 HB3 ALA 24 HB3 ALA 24 42.213 -6.995 0.878 195 H THR 25 HN THR 25 40.998 -6.424 4.474 196 HA THR 25 HA THR 25 39.618 -3.894 3.606 197 HB THR 25 HB THR 25 40.271 -4.971 6.369 198 HG1 THR 25 HG1 THR 25 38.400 -5.651 4.779 199 HG21 THR 25 HG21 THR 25 38.937 -2.431 5.426 200 HG22 THR 25 HG22 THR 25 40.344 -2.583 6.479 201 HG23 THR 25 HG23 THR 25 38.749 -3.058 7.064 202 H VAL 26 HN VAL 26 40.736 -1.950 3.632 203 HA VAL 26 HA VAL 26 43.395 -1.813 4.911 204 HB VAL 26 HB VAL 26 44.056 -0.621 2.539 205 HG11 VAL 26 HG11 VAL 26 45.306 -2.640 1.994 206 HG12 VAL 26 HG12 VAL 26 44.262 -3.608 3.036 207 HG13 VAL 26 HG13 VAL 26 45.335 -2.397 3.740 208 HG21 VAL 26 HG21 VAL 26 41.860 -1.267 1.552 209 HG22 VAL 26 HG22 VAL 26 42.282 -2.964 1.793 210 HG23 VAL 26 HG23 VAL 26 43.231 -1.968 0.694 211 H GLN 27 HN GLN 27 43.674 0.130 5.817 212 HA GLN 27 HA GLN 27 41.605 2.168 5.479 213 HB2 GLN 27 HB2 GLN 27 42.533 3.229 7.384 214 HB3 GLN 27 HB1 GLN 27 42.684 1.501 7.699 215 HG2 GLN 27 HG2 GLN 27 45.025 1.734 6.601 216 HG3 GLN 27 HG1 GLN 27 44.813 3.461 6.885 217 HE21 GLN 27 HE21 GLN 27 44.183 4.025 9.260 218 HE22 GLN 27 HE22 GLN 27 44.916 3.106 10.484 219 H LYS 28 HN LYS 28 41.730 3.662 3.894 220 HA LYS 28 HA LYS 28 44.426 4.369 2.808 221 HB2 LYS 28 HB2 LYS 28 42.622 3.429 1.243 222 HB3 LYS 28 HB1 LYS 28 41.751 4.944 1.498 223 HG2 LYS 28 HG2 LYS 28 43.738 6.201 0.716 224 HG3 LYS 28 HG1 LYS 28 44.572 4.676 0.418 225 HD2 LYS 28 HD2 LYS 28 42.952 4.036 -1.256 226 HD3 LYS 28 HD1 LYS 28 41.925 5.414 -0.858 227 HE2 LYS 28 HE2 LYS 28 44.718 5.550 -2.032 228 HE3 LYS 28 HE1 LYS 28 43.214 5.898 -2.884 229 HZ1 LYS 28 HZ1 LYS 28 43.440 7.976 -2.188 230 HZ2 LYS 28 HZ2 LYS 28 44.735 7.574 -1.165 231 HZ3 LYS 28 HZ3 LYS 28 43.135 7.436 -0.609 232 H ASP 29 HN ASP 29 44.963 6.648 2.704 233 HA ASP 29 HA ASP 29 44.104 8.343 4.730 234 HB2 ASP 29 HB2 ASP 29 44.942 10.220 3.309 235 HB3 ASP 29 HB1 ASP 29 46.064 8.860 3.371 236 H GLY 30 HN GLY 30 41.814 8.220 4.948 237 HA2 GLY 30 HA2 GLY 30 40.137 10.151 4.223 238 HA3 GLY 30 HA1 GLY 30 40.150 9.247 2.708 239 H ARG 31 HN ARG 31 40.040 6.629 3.415 240 HA ARG 31 HA ARG 31 38.296 6.046 5.624 241 HB2 ARG 31 HB2 ARG 31 37.023 7.195 3.340 242 HB3 ARG 31 HB1 ARG 31 36.581 5.494 3.330 243 HG2 ARG 31 HG2 ARG 31 36.321 7.256 5.787 244 HG3 ARG 31 HG1 ARG 31 35.017 7.013 4.628 245 HD2 ARG 31 HD2 ARG 31 35.208 4.544 5.003 246 HD3 ARG 31 HD1 ARG 31 36.390 4.867 6.271 247 HE ARG 31 HE ARG 31 34.210 6.417 6.992 248 HH11 ARG 31 HH21 ARG 31 34.776 3.115 6.178 249 HH12 ARG 31 HH22 ARG 31 33.514 2.508 7.198 250 HH21 ARG 31 HH11 ARG 31 32.558 5.644 8.329 251 HH22 ARG 31 HH12 ARG 31 32.258 3.941 8.416 252 H ARG 32 HN ARG 32 37.811 3.856 5.792 253 HA ARG 32 HA ARG 32 39.689 2.056 4.521 254 HB2 ARG 32 HB2 ARG 32 37.460 1.824 6.513 255 HB3 ARG 32 HB1 ARG 32 37.981 0.347 5.709 256 HG2 ARG 32 HG2 ARG 32 40.229 0.602 6.511 257 HG3 ARG 32 HG1 ARG 32 39.902 2.236 7.091 258 HD2 ARG 32 HD2 ARG 32 38.408 1.407 8.795 259 HD3 ARG 32 HD1 ARG 32 38.473 -0.225 8.128 260 HE ARG 32 HE ARG 32 41.117 0.348 8.717 261 HH11 ARG 32 HH21 ARG 32 38.107 0.441 10.398 262 HH12 ARG 32 HH22 ARG 32 38.806 0.078 11.940 263 HH21 ARG 32 HH11 ARG 32 42.046 -0.127 10.721 264 HH22 ARG 32 HH12 ARG 32 41.035 -0.244 12.124 265 H VAL 33 HN VAL 33 39.334 0.557 2.904 266 HA VAL 33 HA VAL 33 36.611 0.305 1.738 267 HB VAL 33 HB VAL 33 39.035 1.216 0.147 268 HG11 VAL 33 HG11 VAL 33 37.824 -0.396 -1.175 269 HG12 VAL 33 HG12 VAL 33 37.349 1.201 -1.751 270 HG13 VAL 33 HG13 VAL 33 36.273 0.293 -0.694 271 HG21 VAL 33 HG21 VAL 33 37.316 3.066 -0.458 272 HG22 VAL 33 HG22 VAL 33 38.047 3.144 1.143 273 HG23 VAL 33 HG23 VAL 33 36.414 2.505 0.949 274 H GLU 34 HN GLU 34 36.330 -1.610 0.611 275 HA GLU 34 HA GLU 34 38.464 -3.658 1.071 276 HB2 GLU 34 HB2 GLU 34 35.465 -3.678 1.061 277 HB3 GLU 34 HB1 GLU 34 36.278 -5.159 0.560 278 HG2 GLU 34 HG2 GLU 34 37.400 -5.371 2.651 279 HG3 GLU 34 HG1 GLU 34 36.999 -3.719 3.120 280 H PHE 35 HN PHE 35 39.708 -3.722 -0.820 281 HA PHE 35 HA PHE 35 38.307 -3.752 -3.454 282 HB2 PHE 35 HB2 PHE 35 41.217 -3.604 -2.621 283 HB3 PHE 35 HB1 PHE 35 40.762 -3.955 -4.282 284 HD1 PHE 35 HD1 PHE 35 38.779 -2.265 -5.176 285 HD2 PHE 35 HD2 PHE 35 41.719 -1.381 -2.180 286 HE1 PHE 35 HE1 PHE 35 38.526 0.160 -5.631 287 HE2 PHE 35 HE2 PHE 35 41.468 1.030 -2.615 288 HZ PHE 35 HZ PHE 35 39.871 1.811 -4.355 289 H THR 36 HN THR 36 38.256 -5.650 -4.723 290 HA THR 36 HA THR 36 39.092 -8.161 -3.318 291 HB THR 36 HB THR 36 37.585 -9.315 -4.864 292 HG1 THR 36 HG1 THR 36 36.708 -6.894 -5.931 293 HG21 THR 36 HG21 THR 36 35.554 -8.585 -3.962 294 HG22 THR 36 HG22 THR 36 36.024 -6.888 -4.013 295 HG23 THR 36 HG23 THR 36 36.720 -7.959 -2.797 296 H ALA 37 HN ALA 37 39.916 -9.916 -4.988 297 HA ALA 37 HA ALA 37 42.327 -9.015 -6.164 298 HB1 ALA 37 HB1 ALA 37 42.204 -11.343 -5.810 299 HB2 ALA 37 HB2 ALA 37 42.092 -11.206 -7.562 300 HB3 ALA 37 HB3 ALA 37 40.635 -11.473 -6.604 301 H THR 38 HN THR 38 39.152 -8.531 -7.252 302 HA THR 38 HA THR 38 39.504 -8.616 -10.086 303 HB THR 38 HB THR 38 37.520 -7.119 -10.163 304 HG1 THR 38 HG1 THR 38 36.715 -6.850 -7.815 305 HG21 THR 38 HG21 THR 38 37.472 -9.676 -9.554 306 HG22 THR 38 HG22 THR 38 36.009 -8.713 -9.361 307 HG23 THR 38 HG23 THR 38 37.000 -9.094 -7.956 308 H SER 39 HN SER 39 40.445 -6.251 -7.687 309 HA SER 39 HA SER 39 41.520 -4.504 -9.889 310 HB2 SER 39 HB2 SER 39 40.928 -2.550 -8.673 311 HB3 SER 39 HB1 SER 39 39.499 -3.576 -8.608 312 HG SER 39 HG SER 39 40.969 -4.306 -6.587 313 H VAL 40 HN VAL 40 43.182 -6.421 -8.987 314 HA VAL 40 HA VAL 40 44.696 -5.508 -6.648 315 HB VAL 40 HB VAL 40 44.612 -7.888 -7.041 316 HG11 VAL 40 HG11 VAL 40 45.486 -8.927 -9.083 317 HG12 VAL 40 HG12 VAL 40 45.982 -7.360 -9.715 318 HG13 VAL 40 HG13 VAL 40 44.267 -7.737 -9.543 319 HG21 VAL 40 HG21 VAL 40 47.389 -7.009 -7.887 320 HG22 VAL 40 HG22 VAL 40 46.954 -8.394 -6.887 321 HG23 VAL 40 HG23 VAL 40 46.787 -6.755 -6.249 322 H SER 41 HN SER 41 44.632 -4.580 -9.934 323 HA SER 41 HA SER 41 47.451 -3.992 -10.252 324 HB2 SER 41 HB2 SER 41 46.681 -2.622 -12.180 325 HB3 SER 41 HB1 SER 41 46.009 -4.249 -12.207 326 HG SER 41 HG SER 41 44.138 -3.330 -11.157 327 H ASP 42 HN ASP 42 44.597 -2.016 -9.397 328 HA ASP 42 HA ASP 42 45.916 0.478 -9.156 329 HB2 ASP 42 HB2 ASP 42 44.070 1.154 -7.737 330 HB3 ASP 42 HB1 ASP 42 43.429 0.094 -8.993 331 H LEU 43 HN LEU 43 45.712 -2.251 -6.826 332 HA LEU 43 HA LEU 43 46.871 -0.841 -4.629 333 HB2 LEU 43 HB2 LEU 43 45.720 -3.180 -4.701 334 HB3 LEU 43 HB1 LEU 43 47.309 -3.785 -5.153 335 HG LEU 43 HG LEU 43 48.267 -2.840 -3.064 336 HD11 LEU 43 HD11 LEU 43 45.486 -1.726 -2.815 337 HD12 LEU 43 HD12 LEU 43 47.025 -1.016 -2.332 338 HD13 LEU 43 HD13 LEU 43 46.281 -2.255 -1.331 339 HD21 LEU 43 HD21 LEU 43 47.345 -4.502 -1.606 340 HD22 LEU 43 HD22 LEU 43 47.211 -5.156 -3.240 341 HD23 LEU 43 HD23 LEU 43 45.793 -4.475 -2.445 342 H LYS 44 HN LYS 44 48.270 -2.573 -7.383 343 HA LYS 44 HA LYS 44 50.999 -2.444 -6.457 344 HB2 LYS 44 HB2 LYS 44 49.629 -2.955 -9.073 345 HB3 LYS 44 HB1 LYS 44 51.332 -2.503 -9.141 346 HG2 LYS 44 HG2 LYS 44 51.989 -4.371 -7.817 347 HG3 LYS 44 HG1 LYS 44 50.327 -4.708 -7.333 348 HD2 LYS 44 HD2 LYS 44 49.738 -5.463 -9.518 349 HD3 LYS 44 HD1 LYS 44 51.216 -4.805 -10.219 350 HE2 LYS 44 HE2 LYS 44 51.191 -6.998 -8.132 351 HE3 LYS 44 HE1 LYS 44 51.261 -7.305 -9.868 352 HZ1 LYS 44 HZ1 LYS 44 53.275 -6.102 -8.109 353 HZ2 LYS 44 HZ2 LYS 44 53.217 -5.609 -9.734 354 HZ3 LYS 44 HZ3 LYS 44 53.468 -7.245 -9.347 355 H LYS 45 HN LYS 45 49.053 -0.299 -8.548 356 HA LYS 45 HA LYS 45 51.142 1.576 -9.085 357 HB2 LYS 45 HB2 LYS 45 48.861 1.350 -10.220 358 HB3 LYS 45 HB1 LYS 45 48.206 2.241 -8.849 359 HG2 LYS 45 HG2 LYS 45 49.679 4.130 -9.309 360 HG3 LYS 45 HG1 LYS 45 50.474 3.235 -10.600 361 HD2 LYS 45 HD2 LYS 45 48.947 4.570 -11.781 362 HD3 LYS 45 HD1 LYS 45 48.081 3.043 -11.633 363 HE2 LYS 45 HE2 LYS 45 46.648 5.000 -11.073 364 HE3 LYS 45 HE1 LYS 45 46.833 3.904 -9.706 365 HZ1 LYS 45 HZ1 LYS 45 48.338 5.334 -8.673 366 HZ2 LYS 45 HZ2 LYS 45 47.133 6.371 -9.273 367 HZ3 LYS 45 HZ3 LYS 45 48.619 6.228 -10.086 368 H TYR 46 HN TYR 46 48.678 1.437 -6.526 369 HA TYR 46 HA TYR 46 49.255 3.922 -5.283 370 HB2 TYR 46 HB2 TYR 46 47.290 2.551 -4.724 371 HB3 TYR 46 HB1 TYR 46 48.338 1.309 -4.051 372 HD1 TYR 46 HD2 TYR 46 47.938 5.043 -3.735 373 HD2 TYR 46 HD1 TYR 46 48.460 1.281 -1.719 374 HE1 TYR 46 HE2 TYR 46 47.886 6.205 -1.548 375 HE2 TYR 46 HE1 TYR 46 48.396 2.445 0.468 376 HH TYR 46 HH TYR 46 48.669 5.826 0.754 377 H ILE 47 HN ILE 47 50.539 0.672 -4.531 378 HA ILE 47 HA ILE 47 52.338 1.410 -2.488 379 HB ILE 47 HB ILE 47 52.641 -0.709 -4.634 380 HG12 ILE 47 HG12 ILE 47 51.803 -1.149 -1.763 381 HG13 ILE 47 HG11 ILE 47 50.612 -0.704 -2.985 382 HG21 ILE 47 HG21 ILE 47 54.166 -0.157 -2.086 383 HG22 ILE 47 HG22 ILE 47 54.801 -0.430 -3.709 384 HG23 ILE 47 HG23 ILE 47 54.108 -1.770 -2.797 385 HD11 ILE 47 HD11 ILE 47 51.159 -3.257 -2.503 386 HD12 ILE 47 HD12 ILE 47 52.504 -2.952 -3.605 387 HD13 ILE 47 HD13 ILE 47 50.847 -2.697 -4.144 388 H ALA 48 HN ALA 48 53.026 1.079 -5.981 389 HA ALA 48 HA ALA 48 55.699 1.891 -5.960 390 HB1 ALA 48 HB1 ALA 48 53.619 2.529 -8.070 391 HB2 ALA 48 HB2 ALA 48 54.545 1.032 -7.963 392 HB3 ALA 48 HB3 ALA 48 55.366 2.555 -8.308 393 H GLU 49 HN GLU 49 52.802 3.975 -6.112 394 HA GLU 49 HA GLU 49 54.162 6.435 -6.485 395 HB2 GLU 49 HB2 GLU 49 51.529 5.714 -5.195 396 HB3 GLU 49 HB1 GLU 49 52.097 7.383 -5.202 397 HG2 GLU 49 HG2 GLU 49 51.907 5.702 -7.714 398 HG3 GLU 49 HG1 GLU 49 50.601 6.748 -7.156 399 H LEU 50 HN LEU 50 53.740 4.496 -3.574 400 HA LEU 50 HA LEU 50 54.574 6.626 -1.771 401 HB2 LEU 50 HB2 LEU 50 54.685 3.638 -1.278 402 HB3 LEU 50 HB1 LEU 50 54.678 4.914 -0.063 403 HG LEU 50 HG LEU 50 52.423 4.259 -1.982 404 HD11 LEU 50 HD11 LEU 50 52.441 4.136 1.037 405 HD12 LEU 50 HD12 LEU 50 52.859 2.747 0.034 406 HD13 LEU 50 HD13 LEU 50 51.250 3.458 -0.070 407 HD21 LEU 50 HD21 LEU 50 52.250 6.589 -1.690 408 HD22 LEU 50 HD22 LEU 50 52.875 6.528 -0.041 409 HD23 LEU 50 HD23 LEU 50 51.238 5.971 -0.387 410 H GLU 51 HN GLU 51 56.232 4.146 -3.632 411 HA GLU 51 HA GLU 51 58.747 4.364 -2.235 412 HB2 GLU 51 HB2 GLU 51 57.920 3.303 -4.935 413 HB3 GLU 51 HB1 GLU 51 59.626 3.415 -4.507 414 HG2 GLU 51 HG2 GLU 51 58.598 1.179 -3.983 415 HG3 GLU 51 HG1 GLU 51 59.298 1.985 -2.578 416 H VAL 52 HN VAL 52 57.266 6.138 -4.896 417 HA VAL 52 HA VAL 52 59.709 7.552 -5.602 418 HB VAL 52 HB VAL 52 56.839 8.323 -6.211 419 HG11 VAL 52 HG11 VAL 52 58.316 10.149 -6.693 420 HG12 VAL 52 HG12 VAL 52 58.012 9.349 -8.234 421 HG13 VAL 52 HG13 VAL 52 59.530 9.072 -7.382 422 HG21 VAL 52 HG21 VAL 52 58.780 6.488 -7.646 423 HG22 VAL 52 HG22 VAL 52 57.335 7.153 -8.406 424 HG23 VAL 52 HG23 VAL 52 57.185 6.073 -7.020 425 H GLN 53 HN GLN 53 57.079 8.055 -3.329 426 HA GLN 53 HA GLN 53 57.738 10.857 -2.839 427 HB2 GLN 53 HB2 GLN 53 55.956 8.828 -1.486 428 HB3 GLN 53 HB1 GLN 53 56.223 10.426 -0.787 429 HG2 GLN 53 HG2 GLN 53 55.297 10.013 -3.641 430 HG3 GLN 53 HG1 GLN 53 54.183 10.242 -2.292 431 HE21 GLN 53 HE21 GLN 53 55.377 11.992 -4.733 432 HE22 GLN 53 HE22 GLN 53 55.576 13.504 -3.988 433 H THR 54 HN THR 54 58.537 7.742 -1.357 434 HA THR 54 HA THR 54 59.912 9.016 0.899 435 HB THR 54 HB THR 54 60.757 6.491 1.109 436 HG1 THR 54 HG1 THR 54 58.385 5.876 -0.141 437 HG21 THR 54 HG21 THR 54 57.910 7.432 1.555 438 HG22 THR 54 HG22 THR 54 59.236 7.459 2.715 439 HG23 THR 54 HG23 THR 54 58.552 5.919 2.193 440 H GLY 55 HN GLY 55 60.680 9.214 -2.142 441 HA2 GLY 55 HA2 GLY 55 62.688 9.511 -3.319 442 HA3 GLY 55 HA1 GLY 55 63.459 9.675 -1.740 443 H MET 56 HN MET 56 63.530 7.860 -4.493 444 HA MET 56 HA MET 56 65.007 5.703 -3.122 445 HB2 MET 56 HB2 MET 56 62.296 5.343 -3.886 446 HB3 MET 56 HB1 MET 56 63.226 4.497 -5.116 447 HG2 MET 56 HG2 MET 56 62.745 2.944 -3.311 448 HG3 MET 56 HG1 MET 56 64.468 3.313 -3.280 449 HE1 MET 56 HE1 MET 56 61.105 4.467 -0.519 450 HE2 MET 56 HE2 MET 56 61.072 4.187 -2.257 451 HE3 MET 56 HE3 MET 56 61.445 5.794 -1.638 452 H THR 57 HN THR 57 66.879 5.560 -4.238 453 HA THR 57 HA THR 57 66.941 6.421 -7.091 454 HB THR 57 HB THR 57 69.415 6.376 -6.773 455 HG1 THR 57 HG1 THR 57 69.253 4.739 -5.077 456 HG21 THR 57 HG21 THR 57 68.138 7.907 -4.508 457 HG22 THR 57 HG22 THR 57 67.895 8.369 -6.192 458 HG23 THR 57 HG23 THR 57 69.518 8.372 -5.501 459 H GLN 58 HN GLN 58 69.570 4.596 -6.894 460 HA GLN 58 HA GLN 58 68.554 1.898 -6.963 461 HB2 GLN 58 HB2 GLN 58 67.542 2.836 -9.069 462 HB3 GLN 58 HB1 GLN 58 69.177 3.130 -9.663 463 HG2 GLN 58 HG2 GLN 58 69.705 0.785 -9.616 464 HG3 GLN 58 HG1 GLN 58 68.212 0.408 -8.753 465 HE21 GLN 58 HE21 GLN 58 68.614 2.611 -11.559 466 HE22 GLN 58 HE22 GLN 58 67.588 1.736 -12.589 467 H ARG 59 HN ARG 59 71.016 4.250 -7.325 468 HA ARG 59 HA ARG 59 73.356 4.083 -7.311 469 HB2 ARG 59 HB2 ARG 59 72.684 2.691 -5.261 470 HB3 ARG 59 HB1 ARG 59 72.922 1.272 -6.279 471 HG2 ARG 59 HG2 ARG 59 75.016 1.512 -5.264 472 HG3 ARG 59 HG1 ARG 59 75.252 2.328 -6.808 473 HD2 ARG 59 HD2 ARG 59 74.297 4.385 -5.198 474 HD3 ARG 59 HD1 ARG 59 75.277 3.455 -4.071 475 HE ARG 59 HE ARG 59 76.311 5.236 -5.977 476 HH11 ARG 59 HH21 ARG 59 76.684 1.900 -5.158 477 HH12 ARG 59 HH22 ARG 59 78.254 1.774 -5.868 478 HH21 ARG 59 HH11 ARG 59 78.358 5.080 -6.888 479 HH22 ARG 59 HH12 ARG 59 79.204 3.569 -6.840 480 H ARG 60 HN ARG 60 72.466 3.731 -9.808 481 HA ARG 60 HA ARG 60 73.145 1.160 -10.964 482 HB2 ARG 60 HB2 ARG 60 72.968 2.373 -13.131 483 HB3 ARG 60 HB1 ARG 60 71.570 2.659 -12.094 484 HG2 ARG 60 HG2 ARG 60 72.679 4.770 -11.296 485 HG3 ARG 60 HG1 ARG 60 73.936 4.508 -12.506 486 HD2 ARG 60 HD2 ARG 60 72.242 4.551 -14.292 487 HD3 ARG 60 HD1 ARG 60 70.974 4.796 -13.091 488 HE ARG 60 HE ARG 60 72.737 6.881 -12.623 489 HH11 ARG 60 HH21 ARG 60 71.049 5.591 -15.339 490 HH12 ARG 60 HH22 ARG 60 70.899 7.119 -16.140 491 HH21 ARG 60 HH11 ARG 60 72.551 8.885 -13.654 492 HH22 ARG 60 HH12 ARG 60 71.749 8.984 -15.186 493 H ARG 61 HN ARG 61 75.017 0.673 -12.234 494 HA ARG 61 HA ARG 61 77.442 2.161 -11.358 495 HB2 ARG 61 HB2 ARG 61 77.150 -0.481 -12.844 496 HB3 ARG 61 HB1 ARG 61 78.687 0.283 -12.474 497 HG2 ARG 61 HG2 ARG 61 78.087 -1.426 -10.785 498 HG3 ARG 61 HG1 ARG 61 78.224 0.182 -10.081 499 HD2 ARG 61 HD2 ARG 61 76.178 -1.302 -9.435 500 HD3 ARG 61 HD1 ARG 61 75.905 0.399 -9.801 501 HE ARG 61 HE ARG 61 75.552 -0.851 -12.243 502 HH11 ARG 61 HH21 ARG 61 74.349 -1.262 -9.040 503 HH12 ARG 61 HH22 ARG 61 72.812 -1.872 -9.554 504 HH21 ARG 61 HH11 ARG 61 73.553 -1.646 -12.934 505 HH22 ARG 61 HH12 ARG 61 72.362 -2.089 -11.758 506 H GLY 62 HN GLY 62 75.978 1.008 -14.413 507 HA2 GLY 62 HA2 GLY 62 76.074 1.949 -16.562 508 HA3 GLY 62 HA1 GLY 62 76.586 3.452 -15.796 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 55.639 11.224 9.160 2 H2 MET 1 HT2 MET 1 54.169 10.403 9.387 3 H3 MET 1 HT3 MET 1 54.854 10.512 7.836 4 HA MET 1 HA MET 1 56.509 8.987 8.288 5 HB2 MET 1 HB2 MET 1 57.169 10.140 10.422 6 HB3 MET 1 HB1 MET 1 55.854 9.287 11.234 7 HG2 MET 1 HG2 MET 1 56.844 7.138 10.702 8 HG3 MET 1 HG1 MET 1 58.085 7.909 9.713 9 HE1 MET 1 HE1 MET 1 60.471 6.916 12.418 10 HE2 MET 1 HE2 MET 1 60.093 7.052 10.702 11 HE3 MET 1 HE3 MET 1 59.166 5.950 11.716 12 H VAL 2 HN VAL 2 53.292 9.194 9.532 13 HA VAL 2 HA VAL 2 52.821 6.487 10.258 14 HB VAL 2 HB VAL 2 50.869 8.368 8.898 15 HG11 VAL 2 HG11 VAL 2 49.220 7.058 10.269 16 HG12 VAL 2 HG12 VAL 2 50.532 5.970 10.723 17 HG13 VAL 2 HG13 VAL 2 50.032 6.092 9.036 18 HG21 VAL 2 HG21 VAL 2 50.247 8.957 11.266 19 HG22 VAL 2 HG22 VAL 2 51.857 9.506 10.801 20 HG23 VAL 2 HG23 VAL 2 51.672 8.070 11.808 21 H ARG 3 HN ARG 3 53.468 7.891 7.191 22 HA ARG 3 HA ARG 3 52.060 6.037 5.511 23 HB2 ARG 3 HB2 ARG 3 54.615 7.591 4.997 24 HB3 ARG 3 HB1 ARG 3 53.673 6.759 3.760 25 HG2 ARG 3 HG2 ARG 3 51.726 8.167 4.262 26 HG3 ARG 3 HG1 ARG 3 52.627 8.978 5.543 27 HD2 ARG 3 HD2 ARG 3 54.257 9.802 3.898 28 HD3 ARG 3 HD1 ARG 3 53.392 8.967 2.609 29 HE ARG 3 HE ARG 3 51.461 10.586 3.760 30 HH11 ARG 3 HH21 ARG 3 54.631 10.999 2.473 31 HH12 ARG 3 HH22 ARG 3 54.343 12.617 1.927 32 HH21 ARG 3 HH11 ARG 3 51.066 12.697 3.055 33 HH22 ARG 3 HH12 ARG 3 52.325 13.579 2.258 34 H GLN 4 HN GLN 4 55.178 5.908 7.154 35 HA GLN 4 HA GLN 4 56.306 3.692 5.784 36 HB2 GLN 4 HB2 GLN 4 57.376 5.198 7.583 37 HB3 GLN 4 HB1 GLN 4 56.588 4.149 8.761 38 HG2 GLN 4 HG2 GLN 4 58.419 3.126 6.570 39 HG3 GLN 4 HG1 GLN 4 58.962 3.488 8.207 40 HE21 GLN 4 HE21 GLN 4 58.418 0.847 6.522 41 HE22 GLN 4 HE22 GLN 4 57.606 -0.131 7.646 42 H GLU 5 HN GLU 5 54.291 3.745 8.739 43 HA GLU 5 HA GLU 5 54.104 0.878 8.930 44 HB2 GLU 5 HB2 GLU 5 53.665 2.354 10.855 45 HB3 GLU 5 HB1 GLU 5 52.258 3.023 10.026 46 HG2 GLU 5 HG2 GLU 5 51.118 0.909 10.075 47 HG3 GLU 5 HG1 GLU 5 52.571 0.072 10.625 48 H GLU 6 HN GLU 6 51.898 3.357 7.593 49 HA GLU 6 HA GLU 6 49.824 1.594 6.837 50 HB2 GLU 6 HB2 GLU 6 49.692 4.105 6.776 51 HB3 GLU 6 HB1 GLU 6 50.669 4.083 5.309 52 HG2 GLU 6 HG2 GLU 6 48.991 2.695 4.187 53 HG3 GLU 6 HG1 GLU 6 48.023 2.653 5.660 54 H LEU 7 HN LEU 7 53.023 1.914 5.539 55 HA LEU 7 HA LEU 7 52.354 0.826 2.913 56 HB2 LEU 7 HB2 LEU 7 54.443 2.258 3.678 57 HB3 LEU 7 HB1 LEU 7 55.118 0.690 4.113 58 HG LEU 7 HG LEU 7 54.035 1.431 1.375 59 HD11 LEU 7 HD11 LEU 7 56.891 1.012 2.309 60 HD12 LEU 7 HD12 LEU 7 56.158 2.582 1.984 61 HD13 LEU 7 HD13 LEU 7 56.379 1.424 0.672 62 HD21 LEU 7 HD21 LEU 7 53.766 -0.899 1.535 63 HD22 LEU 7 HD22 LEU 7 55.179 -1.096 2.569 64 HD23 LEU 7 HD23 LEU 7 55.381 -0.765 0.848 65 H ALA 8 HN ALA 8 53.951 -0.441 5.849 66 HA ALA 8 HA ALA 8 54.265 -3.110 4.946 67 HB1 ALA 8 HB1 ALA 8 53.717 -2.131 7.767 68 HB2 ALA 8 HB2 ALA 8 55.308 -2.276 7.019 69 HB3 ALA 8 HB3 ALA 8 54.350 -3.721 7.343 70 H ALA 9 HN ALA 9 51.436 -1.381 5.997 71 HA ALA 9 HA ALA 9 49.825 -3.736 6.558 72 HB1 ALA 9 HB1 ALA 9 49.156 -1.703 7.632 73 HB2 ALA 9 HB2 ALA 9 47.921 -2.043 6.419 74 HB3 ALA 9 HB3 ALA 9 49.153 -0.819 6.105 75 H ALA 10 HN ALA 10 49.788 -1.334 3.879 76 HA ALA 10 HA ALA 10 47.940 -2.752 2.258 77 HB1 ALA 10 HB1 ALA 10 50.116 -0.761 1.677 78 HB2 ALA 10 HB2 ALA 10 48.375 -0.589 1.477 79 HB3 ALA 10 HB3 ALA 10 49.300 -1.563 0.334 80 H ARG 11 HN ARG 11 51.342 -3.192 2.860 81 HA ARG 11 HA ARG 11 51.858 -5.003 0.670 82 HB2 ARG 11 HB2 ARG 11 53.477 -3.697 2.340 83 HB3 ARG 11 HB1 ARG 11 53.329 -5.160 3.309 84 HG2 ARG 11 HG2 ARG 11 55.127 -5.807 2.011 85 HG3 ARG 11 HG1 ARG 11 53.840 -6.315 0.919 86 HD2 ARG 11 HD2 ARG 11 53.977 -4.096 -0.206 87 HD3 ARG 11 HD1 ARG 11 55.337 -3.683 0.838 88 HE ARG 11 HE ARG 11 56.103 -6.079 -0.328 89 HH11 ARG 11 HH21 ARG 11 54.959 -3.020 -1.430 90 HH12 ARG 11 HH22 ARG 11 55.831 -3.083 -2.925 91 HH21 ARG 11 HH11 ARG 11 57.249 -6.179 -2.274 92 HH22 ARG 11 HH12 ARG 11 57.128 -4.870 -3.402 93 H ALA 12 HN ALA 12 51.169 -5.497 4.195 94 HA ALA 12 HA ALA 12 51.141 -8.311 4.168 95 HB1 ALA 12 HB1 ALA 12 50.960 -6.995 6.246 96 HB2 ALA 12 HB2 ALA 12 49.641 -8.160 6.131 97 HB3 ALA 12 HB3 ALA 12 49.350 -6.460 5.763 98 H ALA 13 HN ALA 13 49.059 -6.113 2.711 99 HA ALA 13 HA ALA 13 46.747 -7.879 2.511 100 HB1 ALA 13 HB1 ALA 13 46.795 -5.275 2.400 101 HB2 ALA 13 HB2 ALA 13 45.708 -6.142 1.317 102 HB3 ALA 13 HB3 ALA 13 47.238 -5.511 0.710 103 H LEU 14 HN LEU 14 49.502 -6.984 0.424 104 HA LEU 14 HA LEU 14 48.526 -8.343 -1.880 105 HB2 LEU 14 HB2 LEU 14 50.952 -7.002 -1.197 106 HB3 LEU 14 HB1 LEU 14 51.410 -8.562 -1.846 107 HG LEU 14 HG LEU 14 49.463 -6.701 -3.243 108 HD11 LEU 14 HD11 LEU 14 51.282 -5.937 -4.608 109 HD12 LEU 14 HD12 LEU 14 52.405 -7.060 -3.845 110 HD13 LEU 14 HD13 LEU 14 51.761 -5.697 -2.931 111 HD21 LEU 14 HD21 LEU 14 51.163 -8.871 -4.464 112 HD22 LEU 14 HD22 LEU 14 49.665 -8.161 -5.071 113 HD23 LEU 14 HD23 LEU 14 49.624 -9.267 -3.702 114 H HIS 15 HN HIS 15 50.168 -9.511 0.997 115 HA HIS 15 HA HIS 15 50.684 -12.158 -0.106 116 HB2 HIS 15 HB2 HIS 15 52.007 -11.222 1.779 117 HB3 HIS 15 HB1 HIS 15 50.560 -11.250 2.787 118 HD1 HIS 15 HD1 HIS 15 51.454 -13.995 0.352 119 HD2 HIS 15 HD2 HIS 15 51.391 -13.354 4.471 120 HE1 HIS 15 HE1 HIS 15 51.870 -16.246 1.433 121 H ASP 16 HN ASP 16 48.086 -10.607 1.684 122 HA ASP 16 HA ASP 16 46.696 -13.085 2.286 123 HB2 ASP 16 HB2 ASP 16 46.458 -10.896 3.554 124 HB3 ASP 16 HB1 ASP 16 45.507 -10.307 2.190 125 H LEU 17 HN LEU 17 46.597 -10.724 -0.343 126 HA LEU 17 HA LEU 17 44.144 -11.776 -1.477 127 HB2 LEU 17 HB2 LEU 17 46.292 -9.987 -2.645 128 HB3 LEU 17 HB1 LEU 17 44.790 -10.379 -3.467 129 HG LEU 17 HG LEU 17 44.797 -9.224 -0.672 130 HD11 LEU 17 HD11 LEU 17 46.002 -7.568 -1.865 131 HD12 LEU 17 HD12 LEU 17 44.330 -7.008 -1.897 132 HD13 LEU 17 HD13 LEU 17 45.027 -7.786 -3.317 133 HD21 LEU 17 HD21 LEU 17 42.553 -8.320 -1.630 134 HD22 LEU 17 HD22 LEU 17 42.642 -10.032 -1.234 135 HD23 LEU 17 HD23 LEU 17 42.777 -9.508 -2.907 136 H MET 18 HN MET 18 47.533 -12.642 -1.801 137 HA MET 18 HA MET 18 46.957 -14.261 -4.221 138 HB2 MET 18 HB2 MET 18 49.404 -13.329 -2.785 139 HB3 MET 18 HB1 MET 18 49.537 -14.892 -3.588 140 HG2 MET 18 HG2 MET 18 49.174 -13.980 -5.713 141 HG3 MET 18 HG1 MET 18 48.356 -12.554 -5.077 142 HE1 MET 18 HE1 MET 18 51.573 -11.293 -6.929 143 HE2 MET 18 HE2 MET 18 49.845 -11.619 -7.045 144 HE3 MET 18 HE3 MET 18 50.998 -12.935 -7.246 145 H THR 19 HN THR 19 46.732 -14.645 -0.867 146 HA THR 19 HA THR 19 47.380 -17.542 -0.934 147 HB THR 19 HB THR 19 46.554 -17.274 1.560 148 HG1 THR 19 HG1 THR 19 47.112 -14.603 0.785 149 HG21 THR 19 HG21 THR 19 48.800 -16.526 2.211 150 HG22 THR 19 HG22 THR 19 49.083 -15.909 0.583 151 HG23 THR 19 HG23 THR 19 48.902 -17.643 0.851 152 H GLY 20 HN GLY 20 44.720 -15.609 -1.646 153 HA2 GLY 20 HA2 GLY 20 42.808 -17.095 -2.516 154 HA3 GLY 20 HA1 GLY 20 42.781 -17.781 -0.893 155 H LYS 21 HN LYS 21 43.023 -15.506 0.691 156 HA LYS 21 HA LYS 21 40.407 -14.561 0.902 157 HB2 LYS 21 HB2 LYS 21 43.036 -13.339 1.727 158 HB3 LYS 21 HB1 LYS 21 41.526 -12.486 2.018 159 HG2 LYS 21 HG2 LYS 21 42.299 -13.886 3.939 160 HG3 LYS 21 HG1 LYS 21 40.690 -14.305 3.355 161 HD2 LYS 21 HD2 LYS 21 41.525 -16.231 2.188 162 HD3 LYS 21 HD1 LYS 21 43.199 -15.733 2.445 163 HE2 LYS 21 HE2 LYS 21 42.898 -16.008 4.885 164 HE3 LYS 21 HE1 LYS 21 41.238 -16.537 4.613 165 HZ1 LYS 21 HZ1 LYS 21 42.473 -18.187 2.990 166 HZ2 LYS 21 HZ2 LYS 21 42.263 -18.541 4.638 167 HZ3 LYS 21 HZ3 LYS 21 43.747 -17.931 4.079 168 H ARG 22 HN ARG 22 39.445 -13.897 -1.031 169 HA ARG 22 HA ARG 22 40.725 -12.166 -2.916 170 HB2 ARG 22 HB2 ARG 22 38.762 -13.778 -3.306 171 HB3 ARG 22 HB1 ARG 22 37.743 -12.522 -2.606 172 HG2 ARG 22 HG2 ARG 22 38.767 -10.926 -4.300 173 HG3 ARG 22 HG1 ARG 22 39.453 -12.343 -5.090 174 HD2 ARG 22 HD2 ARG 22 36.497 -11.991 -4.517 175 HD3 ARG 22 HD1 ARG 22 37.253 -11.623 -6.068 176 HE ARG 22 HE ARG 22 38.028 -14.234 -5.561 177 HH11 ARG 22 HH21 ARG 22 35.062 -12.477 -5.666 178 HH12 ARG 22 HH22 ARG 22 34.123 -13.834 -6.189 179 HH21 ARG 22 HH11 ARG 22 36.818 -16.016 -6.244 180 HH22 ARG 22 HH12 ARG 22 35.117 -15.838 -6.517 181 H VAL 23 HN VAL 23 38.186 -11.568 -0.452 182 HA VAL 23 HA VAL 23 38.356 -8.652 -0.953 183 HB VAL 23 HB VAL 23 36.761 -8.651 1.110 184 HG11 VAL 23 HG11 VAL 23 35.923 -8.317 -1.140 185 HG12 VAL 23 HG12 VAL 23 34.862 -9.465 -0.322 186 HG13 VAL 23 HG13 VAL 23 36.051 -10.041 -1.490 187 HG21 VAL 23 HG21 VAL 23 37.514 -11.012 1.749 188 HG22 VAL 23 HG22 VAL 23 36.567 -11.586 0.376 189 HG23 VAL 23 HG23 VAL 23 35.770 -10.752 1.709 190 H ALA 24 HN ALA 24 39.544 -7.244 0.220 191 HA ALA 24 HA ALA 24 40.654 -8.082 2.867 192 HB1 ALA 24 HB1 ALA 24 42.312 -6.896 0.619 193 HB2 ALA 24 HB2 ALA 24 42.423 -8.555 1.208 194 HB3 ALA 24 HB3 ALA 24 42.881 -7.214 2.256 195 H THR 25 HN THR 25 41.048 -6.288 4.262 196 HA THR 25 HA THR 25 39.721 -3.744 3.360 197 HB THR 25 HB THR 25 40.433 -4.604 6.179 198 HG1 THR 25 HG1 THR 25 38.539 -5.583 6.275 199 HG21 THR 25 HG21 THR 25 38.627 -2.943 6.717 200 HG22 THR 25 HG22 THR 25 38.600 -2.501 5.009 201 HG23 THR 25 HG23 THR 25 40.055 -2.227 5.968 202 H VAL 26 HN VAL 26 40.824 -1.779 3.478 203 HA VAL 26 HA VAL 26 43.510 -1.693 4.684 204 HB VAL 26 HB VAL 26 44.101 -0.433 2.321 205 HG11 VAL 26 HG11 VAL 26 44.337 -3.426 2.765 206 HG12 VAL 26 HG12 VAL 26 45.429 -2.220 3.445 207 HG13 VAL 26 HG13 VAL 26 45.340 -2.442 1.699 208 HG21 VAL 26 HG21 VAL 26 42.330 -2.777 1.577 209 HG22 VAL 26 HG22 VAL 26 43.233 -1.741 0.474 210 HG23 VAL 26 HG23 VAL 26 41.878 -1.081 1.391 211 H GLN 27 HN GLN 27 44.072 0.322 5.331 212 HA GLN 27 HA GLN 27 41.917 2.309 5.457 213 HB2 GLN 27 HB2 GLN 27 44.664 2.885 6.535 214 HB3 GLN 27 HB1 GLN 27 43.087 3.251 7.230 215 HG2 GLN 27 HG2 GLN 27 43.836 1.520 8.615 216 HG3 GLN 27 HG1 GLN 27 42.859 0.642 7.441 217 HE21 GLN 27 HE21 GLN 27 44.810 -0.840 8.713 218 HE22 GLN 27 HE22 GLN 27 46.109 -1.148 7.665 219 H LYS 28 HN LYS 28 41.722 3.295 3.452 220 HA LYS 28 HA LYS 28 44.174 4.384 2.141 221 HB2 LYS 28 HB2 LYS 28 42.437 3.127 0.784 222 HB3 LYS 28 HB1 LYS 28 41.326 4.468 1.094 223 HG2 LYS 28 HG2 LYS 28 42.818 6.033 0.005 224 HG3 LYS 28 HG1 LYS 28 44.066 4.799 -0.161 225 HD2 LYS 28 HD2 LYS 28 42.635 3.501 -1.658 226 HD3 LYS 28 HD1 LYS 28 41.322 4.660 -1.442 227 HE2 LYS 28 HE2 LYS 28 44.042 5.322 -2.610 228 HE3 LYS 28 HE1 LYS 28 42.576 5.054 -3.553 229 HZ1 LYS 28 HZ1 LYS 28 43.021 7.182 -1.533 230 HZ2 LYS 28 HZ2 LYS 28 41.535 6.882 -2.299 231 HZ3 LYS 28 HZ3 LYS 28 42.876 7.390 -3.210 232 H ASP 29 HN ASP 29 44.695 6.490 2.938 233 HA ASP 29 HA ASP 29 44.334 8.735 3.632 234 HB2 ASP 29 HB2 ASP 29 41.629 8.589 2.293 235 HB3 ASP 29 HB1 ASP 29 42.735 9.957 2.413 236 H GLY 30 HN GLY 30 43.289 6.378 5.216 237 HA2 GLY 30 HA2 GLY 30 42.382 6.396 7.423 238 HA3 GLY 30 HA1 GLY 30 41.679 7.980 7.102 239 H ARG 31 HN ARG 31 40.684 6.661 4.437 240 HA ARG 31 HA ARG 31 38.113 5.790 5.608 241 HB2 ARG 31 HB2 ARG 31 38.913 7.123 3.205 242 HB3 ARG 31 HB1 ARG 31 38.175 5.607 2.701 243 HG2 ARG 31 HG2 ARG 31 36.875 7.524 4.664 244 HG3 ARG 31 HG1 ARG 31 36.566 7.550 2.930 245 HD2 ARG 31 HD2 ARG 31 36.248 4.986 4.491 246 HD3 ARG 31 HD1 ARG 31 34.955 6.182 4.453 247 HE ARG 31 HE ARG 31 35.611 5.839 1.783 248 HH11 ARG 31 HH21 ARG 31 34.769 3.804 4.437 249 HH12 ARG 31 HH22 ARG 31 33.995 2.610 3.448 250 HH21 ARG 31 HH11 ARG 31 34.604 4.293 0.478 251 HH22 ARG 31 HH12 ARG 31 33.903 2.887 1.206 252 H ARG 32 HN ARG 32 37.327 3.753 5.511 253 HA ARG 32 HA ARG 32 39.234 1.583 4.870 254 HB2 ARG 32 HB2 ARG 32 36.543 1.722 6.245 255 HB3 ARG 32 HB1 ARG 32 37.296 0.180 5.838 256 HG2 ARG 32 HG2 ARG 32 39.328 0.888 7.107 257 HG3 ARG 32 HG1 ARG 32 38.473 2.351 7.595 258 HD2 ARG 32 HD2 ARG 32 36.696 0.919 8.613 259 HD3 ARG 32 HD1 ARG 32 37.664 -0.502 8.220 260 HE ARG 32 HE ARG 32 39.403 1.103 9.659 261 HH11 ARG 32 HH21 ARG 32 36.231 -0.173 10.098 262 HH12 ARG 32 HH22 ARG 32 36.367 -0.276 11.822 263 HH21 ARG 32 HH11 ARG 32 39.599 0.977 11.907 264 HH22 ARG 32 HH12 ARG 32 38.273 0.375 12.846 265 H VAL 33 HN VAL 33 39.072 0.339 3.041 266 HA VAL 33 HA VAL 33 36.469 0.178 1.608 267 HB VAL 33 HB VAL 33 39.035 1.148 0.302 268 HG11 VAL 33 HG11 VAL 33 37.550 1.189 -1.763 269 HG12 VAL 33 HG12 VAL 33 36.393 0.219 -0.859 270 HG13 VAL 33 HG13 VAL 33 37.999 -0.422 -1.207 271 HG21 VAL 33 HG21 VAL 33 37.884 3.006 1.282 272 HG22 VAL 33 HG22 VAL 33 36.309 2.369 0.814 273 HG23 VAL 33 HG23 VAL 33 37.400 3.008 -0.412 274 H GLU 34 HN GLU 34 36.249 -1.688 0.408 275 HA GLU 34 HA GLU 34 38.340 -3.775 0.901 276 HB2 GLU 34 HB2 GLU 34 35.337 -3.932 0.534 277 HB3 GLU 34 HB1 GLU 34 36.373 -5.362 0.559 278 HG2 GLU 34 HG2 GLU 34 35.540 -5.033 2.804 279 HG3 GLU 34 HG1 GLU 34 37.245 -4.576 2.805 280 H PHE 35 HN PHE 35 39.625 -3.787 -0.992 281 HA PHE 35 HA PHE 35 38.236 -3.777 -3.630 282 HB2 PHE 35 HB2 PHE 35 41.137 -3.630 -2.774 283 HB3 PHE 35 HB1 PHE 35 40.714 -4.006 -4.438 284 HD1 PHE 35 HD2 PHE 35 38.688 -2.318 -5.345 285 HD2 PHE 35 HD1 PHE 35 41.686 -1.406 -2.412 286 HE1 PHE 35 HE2 PHE 35 38.433 0.099 -5.824 287 HE2 PHE 35 HE1 PHE 35 41.441 1.000 -2.885 288 HZ PHE 35 HZ PHE 35 39.809 1.762 -4.600 289 H THR 36 HN THR 36 38.205 -5.647 -4.946 290 HA THR 36 HA THR 36 38.938 -8.191 -3.552 291 HB THR 36 HB THR 36 37.500 -9.261 -5.281 292 HG1 THR 36 HG1 THR 36 36.262 -7.670 -6.562 293 HG21 THR 36 HG21 THR 36 36.421 -7.006 -3.613 294 HG22 THR 36 HG22 THR 36 36.203 -8.743 -3.421 295 HG23 THR 36 HG23 THR 36 35.344 -7.884 -4.696 296 H ALA 37 HN ALA 37 40.025 -9.910 -5.028 297 HA ALA 37 HA ALA 37 42.417 -8.975 -6.157 298 HB1 ALA 37 HB1 ALA 37 42.382 -11.152 -7.508 299 HB2 ALA 37 HB2 ALA 37 40.809 -11.457 -6.775 300 HB3 ALA 37 HB3 ALA 37 42.243 -11.316 -5.758 301 H THR 38 HN THR 38 39.305 -8.537 -7.425 302 HA THR 38 HA THR 38 39.851 -8.623 -10.234 303 HB THR 38 HB THR 38 37.819 -7.229 -10.462 304 HG1 THR 38 HG1 THR 38 36.907 -6.999 -8.095 305 HG21 THR 38 HG21 THR 38 37.204 -9.148 -8.232 306 HG22 THR 38 HG22 THR 38 37.830 -9.774 -9.759 307 HG23 THR 38 HG23 THR 38 36.322 -8.862 -9.730 308 H SER 39 HN SER 39 40.493 -6.228 -7.765 309 HA SER 39 HA SER 39 41.595 -4.381 -9.872 310 HB2 SER 39 HB2 SER 39 41.046 -2.522 -8.418 311 HB3 SER 39 HB1 SER 39 39.596 -3.496 -8.630 312 HG SER 39 HG SER 39 40.649 -4.594 -6.615 313 H VAL 40 HN VAL 40 43.266 -6.359 -9.029 314 HA VAL 40 HA VAL 40 44.811 -5.442 -6.698 315 HB VAL 40 HB VAL 40 44.639 -7.830 -7.027 316 HG11 VAL 40 HG11 VAL 40 46.039 -7.424 -9.706 317 HG12 VAL 40 HG12 VAL 40 44.309 -7.735 -9.535 318 HG13 VAL 40 HG13 VAL 40 45.481 -8.955 -9.034 319 HG21 VAL 40 HG21 VAL 40 46.968 -8.408 -6.862 320 HG22 VAL 40 HG22 VAL 40 46.845 -6.755 -6.251 321 HG23 VAL 40 HG23 VAL 40 47.444 -7.053 -7.883 322 H SER 41 HN SER 41 44.757 -4.621 -10.024 323 HA SER 41 HA SER 41 47.593 -4.116 -10.352 324 HB2 SER 41 HB2 SER 41 46.855 -2.801 -12.339 325 HB3 SER 41 HB1 SER 41 46.175 -4.426 -12.310 326 HG SER 41 HG SER 41 44.870 -2.175 -12.475 327 H ASP 42 HN ASP 42 44.777 -2.016 -9.679 328 HA ASP 42 HA ASP 42 46.172 0.438 -9.486 329 HB2 ASP 42 HB2 ASP 42 44.286 0.989 -7.770 330 HB3 ASP 42 HB1 ASP 42 43.818 0.590 -9.423 331 H LEU 43 HN LEU 43 45.896 -2.244 -7.120 332 HA LEU 43 HA LEU 43 46.965 -0.755 -4.909 333 HB2 LEU 43 HB2 LEU 43 45.779 -3.077 -4.935 334 HB3 LEU 43 HB1 LEU 43 47.373 -3.723 -5.308 335 HG LEU 43 HG LEU 43 48.271 -2.697 -3.226 336 HD11 LEU 43 HD11 LEU 43 46.225 -2.044 -1.586 337 HD12 LEU 43 HD12 LEU 43 45.488 -1.566 -3.115 338 HD13 LEU 43 HD13 LEU 43 47.014 -0.845 -2.605 339 HD21 LEU 43 HD21 LEU 43 47.212 -5.016 -3.351 340 HD22 LEU 43 HD22 LEU 43 45.770 -4.301 -2.631 341 HD23 LEU 43 HD23 LEU 43 47.291 -4.303 -1.740 342 H LYS 44 HN LYS 44 48.420 -2.597 -7.557 343 HA LYS 44 HA LYS 44 51.120 -2.499 -6.548 344 HB2 LYS 44 HB2 LYS 44 49.823 -3.056 -9.193 345 HB3 LYS 44 HB1 LYS 44 51.538 -2.653 -9.214 346 HG2 LYS 44 HG2 LYS 44 52.093 -4.497 -7.808 347 HG3 LYS 44 HG1 LYS 44 50.405 -4.777 -7.385 348 HD2 LYS 44 HD2 LYS 44 49.884 -5.577 -9.570 349 HD3 LYS 44 HD1 LYS 44 51.407 -4.979 -10.229 350 HE2 LYS 44 HE2 LYS 44 51.241 -7.109 -8.085 351 HE3 LYS 44 HE1 LYS 44 51.365 -7.469 -9.808 352 HZ1 LYS 44 HZ1 LYS 44 53.517 -6.935 -9.834 353 HZ2 LYS 44 HZ2 LYS 44 53.454 -7.068 -8.141 354 HZ3 LYS 44 HZ3 LYS 44 53.295 -5.548 -8.882 355 H LYS 45 HN LYS 45 49.297 -0.370 -8.768 356 HA LYS 45 HA LYS 45 51.466 1.427 -9.275 357 HB2 LYS 45 HB2 LYS 45 49.568 1.460 -10.731 358 HB3 LYS 45 HB1 LYS 45 48.460 1.730 -9.392 359 HG2 LYS 45 HG2 LYS 45 50.611 3.784 -9.709 360 HG3 LYS 45 HG1 LYS 45 49.416 3.743 -10.999 361 HD2 LYS 45 HD2 LYS 45 48.458 3.711 -8.143 362 HD3 LYS 45 HD1 LYS 45 49.007 5.232 -8.841 363 HE2 LYS 45 HE2 LYS 45 46.476 4.561 -9.054 364 HE3 LYS 45 HE1 LYS 45 47.301 5.270 -10.442 365 HZ1 LYS 45 HZ1 LYS 45 46.767 2.397 -9.941 366 HZ2 LYS 45 HZ2 LYS 45 47.794 2.957 -11.172 367 HZ3 LYS 45 HZ3 LYS 45 46.144 3.359 -11.190 368 H TYR 46 HN TYR 46 48.887 1.427 -6.827 369 HA TYR 46 HA TYR 46 49.454 3.943 -5.643 370 HB2 TYR 46 HB2 TYR 46 47.459 2.609 -5.098 371 HB3 TYR 46 HB1 TYR 46 48.474 1.379 -4.356 372 HD1 TYR 46 HD1 TYR 46 48.077 5.120 -4.178 373 HD2 TYR 46 HD2 TYR 46 48.563 1.431 -2.022 374 HE1 TYR 46 HE1 TYR 46 47.973 6.356 -2.033 375 HE2 TYR 46 HE2 TYR 46 48.458 2.669 0.121 376 HH TYR 46 HH TYR 46 47.286 5.689 0.444 377 H ILE 47 HN ILE 47 50.660 0.701 -4.739 378 HA ILE 47 HA ILE 47 52.442 1.506 -2.696 379 HB ILE 47 HB ILE 47 52.759 -0.723 -4.726 380 HG12 ILE 47 HG12 ILE 47 51.801 -1.019 -1.874 381 HG13 ILE 47 HG11 ILE 47 50.666 -0.600 -3.156 382 HG21 ILE 47 HG21 ILE 47 54.156 -1.724 -2.839 383 HG22 ILE 47 HG22 ILE 47 54.154 -0.118 -2.112 384 HG23 ILE 47 HG23 ILE 47 54.884 -0.367 -3.698 385 HD11 ILE 47 HD11 ILE 47 50.898 -2.642 -4.225 386 HD12 ILE 47 HD12 ILE 47 51.140 -3.141 -2.552 387 HD13 ILE 47 HD13 ILE 47 52.529 -2.909 -3.615 388 H ALA 48 HN ALA 48 52.965 1.190 -6.201 389 HA ALA 48 HA ALA 48 55.708 1.857 -6.253 390 HB1 ALA 48 HB1 ALA 48 55.331 2.461 -8.611 391 HB2 ALA 48 HB2 ALA 48 53.590 2.481 -8.328 392 HB3 ALA 48 HB3 ALA 48 54.487 0.967 -8.202 393 H GLU 49 HN GLU 49 52.860 3.938 -6.056 394 HA GLU 49 HA GLU 49 54.212 6.391 -6.656 395 HB2 GLU 49 HB2 GLU 49 51.739 6.042 -6.741 396 HB3 GLU 49 HB1 GLU 49 51.724 5.938 -4.982 397 HG2 GLU 49 HG2 GLU 49 51.146 8.193 -5.615 398 HG3 GLU 49 HG1 GLU 49 52.756 8.216 -4.903 399 H LEU 50 HN LEU 50 53.943 4.447 -3.752 400 HA LEU 50 HA LEU 50 54.842 6.635 -2.001 401 HB2 LEU 50 HB2 LEU 50 54.731 3.687 -1.329 402 HB3 LEU 50 HB1 LEU 50 54.699 5.051 -0.214 403 HG LEU 50 HG LEU 50 52.547 4.293 -2.211 404 HD11 LEU 50 HD11 LEU 50 52.396 2.916 -0.266 405 HD12 LEU 50 HD12 LEU 50 51.203 4.195 -0.042 406 HD13 LEU 50 HD13 LEU 50 52.745 4.271 0.807 407 HD21 LEU 50 HD21 LEU 50 51.338 6.238 -0.974 408 HD22 LEU 50 HD22 LEU 50 52.519 6.659 -2.210 409 HD23 LEU 50 HD23 LEU 50 52.957 6.755 -0.505 410 H GLU 51 HN GLU 51 56.299 3.890 -3.686 411 HA GLU 51 HA GLU 51 58.797 3.966 -2.251 412 HB2 GLU 51 HB2 GLU 51 57.967 2.873 -4.940 413 HB3 GLU 51 HB1 GLU 51 59.652 2.828 -4.423 414 HG2 GLU 51 HG2 GLU 51 57.391 1.734 -2.733 415 HG3 GLU 51 HG1 GLU 51 58.302 0.744 -3.876 416 H VAL 52 HN VAL 52 57.523 5.751 -5.006 417 HA VAL 52 HA VAL 52 60.128 6.959 -5.620 418 HB VAL 52 HB VAL 52 57.373 7.760 -6.609 419 HG11 VAL 52 HG11 VAL 52 60.204 8.322 -7.528 420 HG12 VAL 52 HG12 VAL 52 58.964 9.492 -7.076 421 HG13 VAL 52 HG13 VAL 52 58.801 8.566 -8.568 422 HG21 VAL 52 HG21 VAL 52 59.403 5.884 -7.865 423 HG22 VAL 52 HG22 VAL 52 57.835 6.328 -8.537 424 HG23 VAL 52 HG23 VAL 52 57.921 5.361 -7.065 425 H GLN 53 HN GLN 53 57.262 7.760 -3.728 426 HA GLN 53 HA GLN 53 58.047 10.557 -3.383 427 HB2 GLN 53 HB2 GLN 53 55.968 8.814 -2.035 428 HB3 GLN 53 HB1 GLN 53 56.228 10.507 -1.612 429 HG2 GLN 53 HG2 GLN 53 55.660 9.580 -4.438 430 HG3 GLN 53 HG1 GLN 53 54.398 10.106 -3.324 431 HE21 GLN 53 HE21 GLN 53 55.244 11.462 -5.843 432 HE22 GLN 53 HE22 GLN 53 55.754 13.015 -5.386 433 H THR 54 HN THR 54 58.352 7.544 -1.534 434 HA THR 54 HA THR 54 59.554 8.942 0.750 435 HB THR 54 HB THR 54 59.668 5.954 0.342 436 HG1 THR 54 HG1 THR 54 57.557 5.812 0.993 437 HG21 THR 54 HG21 THR 54 59.288 5.983 2.787 438 HG22 THR 54 HG22 THR 54 59.202 7.744 2.743 439 HG23 THR 54 HG23 THR 54 60.712 6.925 2.343 440 H GLY 55 HN GLY 55 60.733 8.699 -2.143 441 HA2 GLY 55 HA2 GLY 55 63.292 7.355 -1.656 442 HA3 GLY 55 HA1 GLY 55 62.858 8.262 -3.106 443 H MET 56 HN MET 56 61.976 10.577 -1.406 444 HA MET 56 HA MET 56 64.560 11.921 -1.301 445 HB2 MET 56 HB2 MET 56 62.594 13.182 -1.990 446 HB3 MET 56 HB1 MET 56 61.776 12.800 -0.475 447 HG2 MET 56 HG2 MET 56 63.316 14.120 0.798 448 HG3 MET 56 HG1 MET 56 64.409 14.287 -0.577 449 HE1 MET 56 HE1 MET 56 60.949 14.654 0.703 450 HE2 MET 56 HE2 MET 56 60.366 14.615 -0.959 451 HE3 MET 56 HE3 MET 56 60.257 16.108 -0.028 452 H THR 57 HN THR 57 65.904 11.437 0.382 453 HA THR 57 HA THR 57 64.888 11.781 3.136 454 HB THR 57 HB THR 57 65.876 9.608 3.865 455 HG1 THR 57 HG1 THR 57 66.162 8.101 2.036 456 HG21 THR 57 HG21 THR 57 63.840 9.154 1.679 457 HG22 THR 57 HG22 THR 57 63.427 9.928 3.210 458 HG23 THR 57 HG23 THR 57 64.022 8.269 3.193 459 H GLN 58 HN GLN 58 67.052 11.023 4.574 460 HA GLN 58 HA GLN 58 69.188 12.834 3.539 461 HB2 GLN 58 HB2 GLN 58 68.682 11.703 6.312 462 HB3 GLN 58 HB1 GLN 58 69.997 12.800 5.893 463 HG2 GLN 58 HG2 GLN 58 68.286 14.451 5.089 464 HG3 GLN 58 HG1 GLN 58 67.030 13.383 5.715 465 HE21 GLN 58 HE21 GLN 58 68.262 16.171 6.590 466 HE22 GLN 58 HE22 GLN 58 68.447 15.974 8.266 467 H ARG 59 HN ARG 59 71.033 11.422 5.543 468 HA ARG 59 HA ARG 59 71.399 8.731 4.574 469 HB2 ARG 59 HB2 ARG 59 73.376 9.067 3.200 470 HB3 ARG 59 HB1 ARG 59 72.068 10.055 2.548 471 HG2 ARG 59 HG2 ARG 59 72.987 11.972 3.961 472 HG3 ARG 59 HG1 ARG 59 74.408 10.963 4.237 473 HD2 ARG 59 HD2 ARG 59 74.747 10.788 1.789 474 HD3 ARG 59 HD1 ARG 59 73.347 11.829 1.530 475 HE ARG 59 HE ARG 59 74.976 13.320 3.203 476 HH11 ARG 59 HH21 ARG 59 75.323 11.653 0.206 477 HH12 ARG 59 HH22 ARG 59 76.529 12.735 -0.410 478 HH21 ARG 59 HH11 ARG 59 76.548 14.742 2.418 479 HH22 ARG 59 HH12 ARG 59 77.222 14.484 0.844 480 H ARG 60 HN ARG 60 72.890 7.655 5.877 481 HA ARG 60 HA ARG 60 73.675 8.892 8.333 482 HB2 ARG 60 HB2 ARG 60 74.775 6.386 7.022 483 HB3 ARG 60 HB1 ARG 60 74.982 6.829 8.714 484 HG2 ARG 60 HG2 ARG 60 72.227 6.586 7.496 485 HG3 ARG 60 HG1 ARG 60 73.073 5.169 8.111 486 HD2 ARG 60 HD2 ARG 60 73.365 6.437 10.304 487 HD3 ARG 60 HD1 ARG 60 72.243 7.635 9.660 488 HE ARG 60 HE ARG 60 70.902 5.235 9.341 489 HH11 ARG 60 HH21 ARG 60 72.477 6.905 11.913 490 HH12 ARG 60 HH22 ARG 60 71.446 6.257 13.145 491 HH21 ARG 60 HH11 ARG 60 69.545 4.378 10.934 492 HH22 ARG 60 HH12 ARG 60 69.786 4.825 12.590 493 H ARG 61 HN ARG 61 75.359 10.237 8.713 494 HA ARG 61 HA ARG 61 77.223 10.970 6.650 495 HB2 ARG 61 HB2 ARG 61 78.394 12.191 8.515 496 HB3 ARG 61 HB1 ARG 61 76.675 12.567 8.391 497 HG2 ARG 61 HG2 ARG 61 76.194 10.904 10.160 498 HG3 ARG 61 HG1 ARG 61 77.917 10.571 10.308 499 HD2 ARG 61 HD2 ARG 61 77.851 13.329 10.569 500 HD3 ARG 61 HD1 ARG 61 76.354 12.855 11.365 501 HE ARG 61 HE ARG 61 78.900 12.656 12.528 502 HH11 ARG 61 HH21 ARG 61 76.257 10.543 11.828 503 HH12 ARG 61 HH22 ARG 61 76.700 9.389 13.035 504 HH21 ARG 61 HH11 ARG 61 79.469 11.166 14.108 505 HH22 ARG 61 HH12 ARG 61 78.509 9.742 14.328 506 H GLY 62 HN GLY 62 79.726 11.018 7.749 507 HA2 GLY 62 HA2 GLY 62 80.655 8.339 7.336 508 HA3 GLY 62 HA1 GLY 62 81.632 9.665 7.970 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 56.313 9.490 7.783 2 H2 MET 1 HT2 MET 1 57.939 9.912 7.528 3 H3 MET 1 HT3 MET 1 57.147 10.391 8.953 4 HA MET 1 HA MET 1 58.417 7.889 8.301 5 HB2 MET 1 HB2 MET 1 58.962 9.503 10.193 6 HB3 MET 1 HB1 MET 1 57.454 8.990 10.952 7 HG2 MET 1 HG2 MET 1 59.193 7.619 11.884 8 HG3 MET 1 HG1 MET 1 58.294 6.602 10.756 9 HE1 MET 1 HE1 MET 1 61.351 6.058 11.854 10 HE2 MET 1 HE2 MET 1 61.878 5.265 10.372 11 HE3 MET 1 HE3 MET 1 60.239 5.008 10.963 12 H VAL 2 HN VAL 2 55.218 8.972 9.322 13 HA VAL 2 HA VAL 2 54.248 6.443 10.247 14 HB VAL 2 HB VAL 2 52.641 8.635 8.902 15 HG11 VAL 2 HG11 VAL 2 51.376 6.587 9.233 16 HG12 VAL 2 HG12 VAL 2 50.861 7.763 10.443 17 HG13 VAL 2 HG13 VAL 2 51.954 6.454 10.895 18 HG21 VAL 2 HG21 VAL 2 53.997 9.612 10.679 19 HG22 VAL 2 HG22 VAL 2 53.540 8.317 11.784 20 HG23 VAL 2 HG23 VAL 2 52.330 9.481 11.241 21 H ARG 3 HN ARG 3 54.484 7.878 7.027 22 HA ARG 3 HA ARG 3 52.824 6.111 5.584 23 HB2 ARG 3 HB2 ARG 3 55.474 7.330 4.741 24 HB3 ARG 3 HB1 ARG 3 54.297 6.607 3.643 25 HG2 ARG 3 HG2 ARG 3 52.632 8.263 4.235 26 HG3 ARG 3 HG1 ARG 3 53.673 8.919 5.499 27 HD2 ARG 3 HD2 ARG 3 54.406 8.874 2.559 28 HD3 ARG 3 HD1 ARG 3 53.700 10.267 3.377 29 HE ARG 3 HE ARG 3 55.906 9.639 4.930 30 HH11 ARG 3 HH21 ARG 3 55.286 10.249 1.593 31 HH12 ARG 3 HH22 ARG 3 56.848 10.930 1.290 32 HH21 ARG 3 HH11 ARG 3 57.951 10.526 4.552 33 HH22 ARG 3 HH12 ARG 3 58.358 11.088 2.965 34 H GLN 4 HN GLN 4 55.831 5.510 7.184 35 HA GLN 4 HA GLN 4 56.684 3.226 5.662 36 HB2 GLN 4 HB2 GLN 4 58.069 4.523 7.351 37 HB3 GLN 4 HB1 GLN 4 57.163 3.690 8.615 38 HG2 GLN 4 HG2 GLN 4 57.874 1.510 7.673 39 HG3 GLN 4 HG1 GLN 4 58.813 2.359 6.445 40 HE21 GLN 4 HE21 GLN 4 59.759 4.500 8.219 41 HE22 GLN 4 HE22 GLN 4 60.871 3.796 9.291 42 H GLU 5 HN GLU 5 54.626 3.581 8.543 43 HA GLU 5 HA GLU 5 54.217 0.732 8.864 44 HB2 GLU 5 HB2 GLU 5 53.918 2.500 10.665 45 HB3 GLU 5 HB1 GLU 5 52.414 2.949 9.860 46 HG2 GLU 5 HG2 GLU 5 51.816 1.384 11.572 47 HG3 GLU 5 HG1 GLU 5 51.725 0.506 10.045 48 H GLU 6 HN GLU 6 52.445 3.329 7.210 49 HA GLU 6 HA GLU 6 50.145 1.720 6.596 50 HB2 GLU 6 HB2 GLU 6 49.822 4.062 6.439 51 HB3 GLU 6 HB1 GLU 6 51.258 4.293 5.448 52 HG2 GLU 6 HG2 GLU 6 49.067 4.435 4.193 53 HG3 GLU 6 HG1 GLU 6 50.205 3.256 3.546 54 H LEU 7 HN LEU 7 53.355 1.833 5.267 55 HA LEU 7 HA LEU 7 52.598 0.724 2.674 56 HB2 LEU 7 HB2 LEU 7 54.774 2.058 3.407 57 HB3 LEU 7 HB1 LEU 7 55.371 0.456 3.828 58 HG LEU 7 HG LEU 7 54.267 1.239 1.111 59 HD11 LEU 7 HD11 LEU 7 56.486 2.276 1.785 60 HD12 LEU 7 HD12 LEU 7 56.542 1.265 0.341 61 HD13 LEU 7 HD13 LEU 7 57.133 0.639 1.880 62 HD21 LEU 7 HD21 LEU 7 55.369 -1.318 2.284 63 HD22 LEU 7 HD22 LEU 7 55.501 -1.000 0.554 64 HD23 LEU 7 HD23 LEU 7 53.916 -1.082 1.315 65 H ALA 8 HN ALA 8 54.152 -0.565 5.624 66 HA ALA 8 HA ALA 8 54.345 -3.259 4.778 67 HB1 ALA 8 HB1 ALA 8 53.833 -2.198 7.575 68 HB2 ALA 8 HB2 ALA 8 55.416 -2.439 6.837 69 HB3 ALA 8 HB3 ALA 8 54.387 -3.827 7.190 70 H ALA 9 HN ALA 9 51.578 -1.398 5.779 71 HA ALA 9 HA ALA 9 49.878 -3.675 6.393 72 HB1 ALA 9 HB1 ALA 9 49.259 -1.599 7.398 73 HB2 ALA 9 HB2 ALA 9 48.036 -1.913 6.165 74 HB3 ALA 9 HB3 ALA 9 49.325 -0.750 5.852 75 H ALA 10 HN ALA 10 49.942 -1.362 3.640 76 HA ALA 10 HA ALA 10 48.061 -2.787 2.053 77 HB1 ALA 10 HB1 ALA 10 49.429 -1.656 0.106 78 HB2 ALA 10 HB2 ALA 10 50.265 -0.840 1.428 79 HB3 ALA 10 HB3 ALA 10 48.525 -0.643 1.233 80 H ARG 11 HN ARG 11 51.445 -3.279 2.693 81 HA ARG 11 HA ARG 11 51.924 -5.141 0.524 82 HB2 ARG 11 HB2 ARG 11 53.542 -3.811 2.256 83 HB3 ARG 11 HB1 ARG 11 53.472 -5.353 3.097 84 HG2 ARG 11 HG2 ARG 11 55.249 -5.817 1.708 85 HG3 ARG 11 HG1 ARG 11 53.957 -6.288 0.611 86 HD2 ARG 11 HD2 ARG 11 54.069 -3.663 0.003 87 HD3 ARG 11 HD1 ARG 11 55.735 -3.881 0.532 88 HE ARG 11 HE ARG 11 54.708 -4.661 -1.988 89 HH11 ARG 11 HH21 ARG 11 56.513 -6.035 0.618 90 HH12 ARG 11 HH22 ARG 11 57.126 -7.341 -0.333 91 HH21 ARG 11 HH11 ARG 11 55.520 -6.344 -3.232 92 HH22 ARG 11 HH12 ARG 11 56.575 -7.512 -2.508 93 H ALA 12 HN ALA 12 51.256 -5.536 4.067 94 HA ALA 12 HA ALA 12 51.194 -8.346 4.116 95 HB1 ALA 12 HB1 ALA 12 49.684 -8.126 6.066 96 HB2 ALA 12 HB2 ALA 12 49.411 -6.436 5.649 97 HB3 ALA 12 HB3 ALA 12 51.012 -6.969 6.158 98 H ALA 13 HN ALA 13 49.146 -6.152 2.607 99 HA ALA 13 HA ALA 13 46.808 -7.866 2.421 100 HB1 ALA 13 HB1 ALA 13 45.831 -6.146 1.166 101 HB2 ALA 13 HB2 ALA 13 47.372 -5.622 0.489 102 HB3 ALA 13 HB3 ALA 13 46.976 -5.257 2.167 103 H LEU 14 HN LEU 14 49.566 -7.065 0.264 104 HA LEU 14 HA LEU 14 48.630 -8.553 -1.950 105 HB2 LEU 14 HB2 LEU 14 51.127 -7.313 -1.249 106 HB3 LEU 14 HB1 LEU 14 51.479 -8.911 -1.876 107 HG LEU 14 HG LEU 14 49.647 -6.967 -3.314 108 HD11 LEU 14 HD11 LEU 14 51.952 -6.023 -3.008 109 HD12 LEU 14 HD12 LEU 14 51.521 -6.321 -4.688 110 HD13 LEU 14 HD13 LEU 14 52.589 -7.440 -3.841 111 HD21 LEU 14 HD21 LEU 14 49.720 -9.549 -3.742 112 HD22 LEU 14 HD22 LEU 14 51.270 -9.210 -4.508 113 HD23 LEU 14 HD23 LEU 14 49.796 -8.454 -5.119 114 H HIS 15 HN HIS 15 50.085 -9.609 1.048 115 HA HIS 15 HA HIS 15 50.503 -12.349 0.124 116 HB2 HIS 15 HB2 HIS 15 51.798 -11.332 2.012 117 HB3 HIS 15 HB1 HIS 15 50.312 -11.291 2.962 118 HD1 HIS 15 HD1 HIS 15 51.287 -14.138 0.673 119 HD2 HIS 15 HD2 HIS 15 50.981 -13.352 4.755 120 HE1 HIS 15 HE1 HIS 15 51.597 -16.357 1.856 121 H ASP 16 HN ASP 16 47.959 -10.531 1.722 122 HA ASP 16 HA ASP 16 46.367 -12.861 2.420 123 HB2 ASP 16 HB2 ASP 16 45.368 -10.028 2.117 124 HB3 ASP 16 HB1 ASP 16 44.734 -11.297 3.162 125 H LEU 17 HN LEU 17 46.669 -10.819 -0.413 126 HA LEU 17 HA LEU 17 44.124 -11.742 -1.559 127 HB2 LEU 17 HB2 LEU 17 46.381 -10.135 -2.798 128 HB3 LEU 17 HB1 LEU 17 44.814 -10.416 -3.534 129 HG LEU 17 HG LEU 17 45.114 -9.129 -0.812 130 HD11 LEU 17 HD11 LEU 17 44.933 -6.959 -1.895 131 HD12 LEU 17 HD12 LEU 17 44.814 -7.720 -3.479 132 HD13 LEU 17 HD13 LEU 17 46.320 -7.811 -2.571 133 HD21 LEU 17 HD21 LEU 17 42.876 -9.849 -1.124 134 HD22 LEU 17 HD22 LEU 17 42.882 -9.419 -2.833 135 HD23 LEU 17 HD23 LEU 17 42.843 -8.157 -1.609 136 H MET 18 HN MET 18 47.463 -12.740 -1.640 137 HA MET 18 HA MET 18 47.035 -14.408 -4.048 138 HB2 MET 18 HB2 MET 18 49.325 -13.289 -2.625 139 HB3 MET 18 HB1 MET 18 49.567 -15.011 -2.893 140 HG2 MET 18 HG2 MET 18 50.468 -13.836 -4.799 141 HG3 MET 18 HG1 MET 18 48.986 -14.634 -5.322 142 HE1 MET 18 HE1 MET 18 48.874 -12.869 -7.511 143 HE2 MET 18 HE2 MET 18 50.460 -12.550 -6.814 144 HE3 MET 18 HE3 MET 18 49.408 -11.204 -7.241 145 H THR 19 HN THR 19 46.509 -14.716 -0.716 146 HA THR 19 HA THR 19 47.138 -17.611 -0.638 147 HB THR 19 HB THR 19 46.040 -17.289 1.734 148 HG1 THR 19 HG1 THR 19 45.258 -15.158 1.021 149 HG21 THR 19 HG21 THR 19 48.641 -15.913 0.996 150 HG22 THR 19 HG22 THR 19 48.452 -17.636 1.319 151 HG23 THR 19 HG23 THR 19 48.186 -16.464 2.609 152 H GLY 20 HN GLY 20 44.586 -15.742 -1.734 153 HA2 GLY 20 HA2 GLY 20 42.758 -17.165 -2.775 154 HA3 GLY 20 HA1 GLY 20 42.596 -17.937 -1.199 155 H LYS 21 HN LYS 21 42.633 -15.804 0.545 156 HA LYS 21 HA LYS 21 40.007 -14.813 0.457 157 HB2 LYS 21 HB2 LYS 21 42.338 -13.324 1.690 158 HB3 LYS 21 HB1 LYS 21 40.650 -13.278 2.194 159 HG2 LYS 21 HG2 LYS 21 40.920 -15.849 2.549 160 HG3 LYS 21 HG1 LYS 21 42.649 -15.514 2.504 161 HD2 LYS 21 HD2 LYS 21 42.229 -15.315 4.790 162 HD3 LYS 21 HD1 LYS 21 42.036 -13.641 4.276 163 HE2 LYS 21 HE2 LYS 21 39.605 -13.922 4.167 164 HE3 LYS 21 HE1 LYS 21 39.763 -15.632 4.571 165 HZ1 LYS 21 HZ1 LYS 21 40.970 -13.660 6.367 166 HZ2 LYS 21 HZ2 LYS 21 40.291 -15.176 6.721 167 HZ3 LYS 21 HZ3 LYS 21 39.285 -13.844 6.403 168 H ARG 22 HN ARG 22 39.204 -13.665 -1.240 169 HA ARG 22 HA ARG 22 40.934 -11.924 -2.817 170 HB2 ARG 22 HB2 ARG 22 39.042 -11.686 -4.281 171 HB3 ARG 22 HB1 ARG 22 39.123 -13.375 -3.778 172 HG2 ARG 22 HG2 ARG 22 37.480 -12.773 -1.925 173 HG3 ARG 22 HG1 ARG 22 37.255 -11.228 -2.747 174 HD2 ARG 22 HD2 ARG 22 35.526 -12.728 -3.523 175 HD3 ARG 22 HD1 ARG 22 36.681 -12.512 -4.839 176 HE ARG 22 HE ARG 22 37.603 -14.763 -3.510 177 HH11 ARG 22 HH21 ARG 22 34.618 -13.707 -4.875 178 HH12 ARG 22 HH22 ARG 22 34.092 -15.303 -5.294 179 HH21 ARG 22 HH11 ARG 22 36.932 -16.853 -4.049 180 HH22 ARG 22 HH12 ARG 22 35.402 -17.085 -4.826 181 H VAL 23 HN VAL 23 38.178 -11.461 -0.595 182 HA VAL 23 HA VAL 23 38.240 -8.544 -0.968 183 HB VAL 23 HB VAL 23 36.158 -9.788 -0.372 184 HG11 VAL 23 HG11 VAL 23 37.426 -11.362 1.208 185 HG12 VAL 23 HG12 VAL 23 35.874 -10.761 1.794 186 HG13 VAL 23 HG13 VAL 23 37.376 -10.052 2.388 187 HG21 VAL 23 HG21 VAL 23 35.394 -8.177 1.312 188 HG22 VAL 23 HG22 VAL 23 36.447 -7.364 0.154 189 HG23 VAL 23 HG23 VAL 23 37.062 -7.807 1.746 190 H ALA 24 HN ALA 24 39.360 -7.083 0.223 191 HA ALA 24 HA ALA 24 40.592 -7.912 2.812 192 HB1 ALA 24 HB1 ALA 24 42.343 -8.306 1.149 193 HB2 ALA 24 HB2 ALA 24 42.756 -6.892 2.118 194 HB3 ALA 24 HB3 ALA 24 42.111 -6.687 0.489 195 H THR 25 HN THR 25 41.095 -6.091 4.175 196 HA THR 25 HA THR 25 39.581 -3.605 3.420 197 HB THR 25 HB THR 25 40.545 -4.558 6.137 198 HG1 THR 25 HG1 THR 25 38.092 -4.727 6.252 199 HG21 THR 25 HG21 THR 25 38.848 -2.248 5.197 200 HG22 THR 25 HG22 THR 25 40.301 -2.195 6.197 201 HG23 THR 25 HG23 THR 25 38.795 -2.835 6.860 202 H VAL 26 HN VAL 26 40.592 -1.528 3.758 203 HA VAL 26 HA VAL 26 43.467 -1.510 4.452 204 HB VAL 26 HB VAL 26 43.184 -1.839 1.922 205 HG11 VAL 26 HG11 VAL 26 42.451 1.095 1.986 206 HG12 VAL 26 HG12 VAL 26 41.234 -0.176 1.848 207 HG13 VAL 26 HG13 VAL 26 42.466 0.008 0.602 208 HG21 VAL 26 HG21 VAL 26 45.244 -0.955 3.027 209 HG22 VAL 26 HG22 VAL 26 44.597 0.677 2.859 210 HG23 VAL 26 HG23 VAL 26 44.988 -0.269 1.423 211 H GLN 27 HN GLN 27 43.947 0.245 5.635 212 HA GLN 27 HA GLN 27 41.882 2.294 6.093 213 HB2 GLN 27 HB2 GLN 27 44.657 2.472 7.257 214 HB3 GLN 27 HB1 GLN 27 43.110 2.892 7.993 215 HG2 GLN 27 HG2 GLN 27 42.561 0.406 7.957 216 HG3 GLN 27 HG1 GLN 27 44.250 0.130 7.532 217 HE21 GLN 27 HE21 GLN 27 45.788 1.585 9.100 218 HE22 GLN 27 HE22 GLN 27 45.417 1.432 10.750 219 H LYS 28 HN LYS 28 41.793 4.064 4.757 220 HA LYS 28 HA LYS 28 44.358 5.179 3.686 221 HB2 LYS 28 HB2 LYS 28 43.235 3.784 1.956 222 HB3 LYS 28 HB1 LYS 28 41.804 4.806 2.102 223 HG2 LYS 28 HG2 LYS 28 42.956 6.719 1.278 224 HG3 LYS 28 HG1 LYS 28 44.531 5.950 1.475 225 HD2 LYS 28 HD2 LYS 28 43.975 4.320 -0.277 226 HD3 LYS 28 HD1 LYS 28 42.378 5.046 -0.459 227 HE2 LYS 28 HE2 LYS 28 43.882 5.900 -2.196 228 HE3 LYS 28 HE1 LYS 28 43.450 7.198 -1.084 229 HZ1 LYS 28 HZ1 LYS 28 45.521 7.201 -0.134 230 HZ2 LYS 28 HZ2 LYS 28 45.916 6.815 -1.742 231 HZ3 LYS 28 HZ3 LYS 28 45.855 5.594 -0.562 232 H ASP 29 HN ASP 29 44.430 7.397 4.303 233 HA ASP 29 HA ASP 29 43.594 9.507 5.040 234 HB2 ASP 29 HB2 ASP 29 41.435 8.863 3.006 235 HB3 ASP 29 HB1 ASP 29 41.919 10.465 3.567 236 H GLY 30 HN GLY 30 42.917 7.631 6.869 237 HA2 GLY 30 HA2 GLY 30 41.321 7.040 8.493 238 HA3 GLY 30 HA1 GLY 30 40.749 8.694 8.271 239 H ARG 31 HN ARG 31 40.715 6.064 5.878 240 HA ARG 31 HA ARG 31 37.791 5.778 6.164 241 HB2 ARG 31 HB2 ARG 31 38.097 7.701 4.598 242 HB3 ARG 31 HB1 ARG 31 39.058 6.665 3.552 243 HG2 ARG 31 HG2 ARG 31 36.704 6.836 2.780 244 HG3 ARG 31 HG1 ARG 31 37.154 5.185 3.188 245 HD2 ARG 31 HD2 ARG 31 34.867 6.198 4.058 246 HD3 ARG 31 HD1 ARG 31 35.821 5.140 5.096 247 HE ARG 31 HE ARG 31 36.766 7.660 5.717 248 HH11 ARG 31 HH21 ARG 31 33.678 6.151 5.493 249 HH12 ARG 31 HH22 ARG 31 32.964 7.127 6.734 250 HH21 ARG 31 HH11 ARG 31 35.855 8.944 7.336 251 HH22 ARG 31 HH12 ARG 31 34.196 8.708 7.777 252 H ARG 32 HN ARG 32 37.186 3.753 5.719 253 HA ARG 32 HA ARG 32 39.247 1.797 4.916 254 HB2 ARG 32 HB2 ARG 32 36.464 1.645 6.080 255 HB3 ARG 32 HB1 ARG 32 37.276 0.200 5.481 256 HG2 ARG 32 HG2 ARG 32 39.172 0.631 6.996 257 HG3 ARG 32 HG1 ARG 32 38.368 2.082 7.593 258 HD2 ARG 32 HD2 ARG 32 36.523 0.759 8.467 259 HD3 ARG 32 HD1 ARG 32 37.198 -0.710 7.761 260 HE ARG 32 HE ARG 32 39.228 0.231 9.395 261 HH11 ARG 32 HH21 ARG 32 35.877 -0.505 9.735 262 HH12 ARG 32 HH22 ARG 32 36.011 -0.972 11.397 263 HH21 ARG 32 HH11 ARG 32 39.423 -0.373 11.565 264 HH22 ARG 32 HH12 ARG 32 38.019 -0.897 12.433 265 H VAL 33 HN VAL 33 39.103 0.454 3.125 266 HA VAL 33 HA VAL 33 36.763 0.674 1.302 267 HB VAL 33 HB VAL 33 39.616 1.232 0.409 268 HG11 VAL 33 HG11 VAL 33 38.565 -0.161 -1.254 269 HG12 VAL 33 HG12 VAL 33 38.469 1.496 -1.846 270 HG13 VAL 33 HG13 VAL 33 37.052 0.735 -1.129 271 HG21 VAL 33 HG21 VAL 33 38.405 3.322 -0.509 272 HG22 VAL 33 HG22 VAL 33 38.672 3.262 1.229 273 HG23 VAL 33 HG23 VAL 33 37.082 2.880 0.569 274 H GLU 34 HN GLU 34 36.472 -1.182 0.083 275 HA GLU 34 HA GLU 34 38.217 -3.500 0.853 276 HB2 GLU 34 HB2 GLU 34 35.266 -3.198 0.321 277 HB3 GLU 34 HB1 GLU 34 36.024 -4.777 0.118 278 HG2 GLU 34 HG2 GLU 34 36.720 -4.843 2.403 279 HG3 GLU 34 HG1 GLU 34 36.351 -3.133 2.637 280 H PHE 35 HN PHE 35 39.699 -3.696 -0.869 281 HA PHE 35 HA PHE 35 38.628 -3.615 -3.651 282 HB2 PHE 35 HB2 PHE 35 41.376 -3.509 -2.427 283 HB3 PHE 35 HB1 PHE 35 41.233 -4.117 -4.069 284 HD1 PHE 35 HD1 PHE 35 39.350 -2.515 -5.473 285 HD2 PHE 35 HD2 PHE 35 42.063 -1.295 -2.367 286 HE1 PHE 35 HE1 PHE 35 39.281 -0.191 -6.317 287 HE2 PHE 35 HE2 PHE 35 41.989 1.028 -3.213 288 HZ PHE 35 HZ PHE 35 40.598 1.582 -5.191 289 H THR 36 HN THR 36 38.692 -5.485 -4.983 290 HA THR 36 HA THR 36 39.181 -8.069 -3.528 291 HB THR 36 HB THR 36 37.636 -9.095 -5.098 292 HG1 THR 36 HG1 THR 36 38.065 -7.975 -6.949 293 HG21 THR 36 HG21 THR 36 36.786 -7.645 -3.117 294 HG22 THR 36 HG22 THR 36 35.628 -8.125 -4.356 295 HG23 THR 36 HG23 THR 36 36.300 -6.496 -4.365 296 H ALA 37 HN ALA 37 39.938 -9.859 -5.206 297 HA ALA 37 HA ALA 37 42.439 -9.013 -6.314 298 HB1 ALA 37 HB1 ALA 37 42.265 -11.295 -7.554 299 HB2 ALA 37 HB2 ALA 37 40.776 -11.510 -6.632 300 HB3 ALA 37 HB3 ALA 37 42.314 -11.312 -5.793 301 H THR 38 HN THR 38 39.287 -8.634 -7.514 302 HA THR 38 HA THR 38 39.618 -8.951 -10.306 303 HB THR 38 HB THR 38 37.786 -7.258 -10.515 304 HG1 THR 38 HG1 THR 38 38.684 -6.150 -8.544 305 HG21 THR 38 HG21 THR 38 37.107 -9.058 -8.200 306 HG22 THR 38 HG22 THR 38 37.491 -9.752 -9.776 307 HG23 THR 38 HG23 THR 38 36.130 -8.644 -9.607 308 H SER 39 HN SER 39 40.817 -6.468 -8.164 309 HA SER 39 HA SER 39 42.104 -5.139 -10.540 310 HB2 SER 39 HB2 SER 39 40.084 -3.808 -9.539 311 HB3 SER 39 HB1 SER 39 41.187 -3.449 -8.207 312 HG SER 39 HG SER 39 41.765 -1.914 -9.541 313 H VAL 40 HN VAL 40 43.580 -6.943 -9.282 314 HA VAL 40 HA VAL 40 44.978 -5.851 -6.968 315 HB VAL 40 HB VAL 40 44.901 -8.253 -7.173 316 HG11 VAL 40 HG11 VAL 40 45.859 -9.459 -9.081 317 HG12 VAL 40 HG12 VAL 40 46.408 -7.953 -9.808 318 HG13 VAL 40 HG13 VAL 40 44.681 -8.298 -9.694 319 HG21 VAL 40 HG21 VAL 40 47.726 -7.464 -7.945 320 HG22 VAL 40 HG22 VAL 40 47.228 -8.769 -6.871 321 HG23 VAL 40 HG23 VAL 40 47.048 -7.088 -6.361 322 H SER 41 HN SER 41 45.118 -5.182 -10.301 323 HA SER 41 HA SER 41 47.954 -4.622 -10.509 324 HB2 SER 41 HB2 SER 41 46.954 -4.914 -12.599 325 HB3 SER 41 HB1 SER 41 45.519 -3.994 -12.152 326 HG SER 41 HG SER 41 46.485 -2.343 -13.001 327 H ASP 42 HN ASP 42 45.065 -2.590 -9.935 328 HA ASP 42 HA ASP 42 46.387 -0.086 -9.843 329 HB2 ASP 42 HB2 ASP 42 44.491 0.712 -8.565 330 HB3 ASP 42 HB1 ASP 42 43.893 -0.446 -9.753 331 H LEU 43 HN LEU 43 46.097 -2.631 -7.329 332 HA LEU 43 HA LEU 43 47.179 -1.051 -5.203 333 HB2 LEU 43 HB2 LEU 43 45.997 -3.356 -5.100 334 HB3 LEU 43 HB1 LEU 43 47.572 -4.034 -5.492 335 HG LEU 43 HG LEU 43 48.542 -2.959 -3.472 336 HD11 LEU 43 HD11 LEU 43 46.559 -2.201 -1.803 337 HD12 LEU 43 HD12 LEU 43 45.784 -1.769 -3.326 338 HD13 LEU 43 HD13 LEU 43 47.337 -1.058 -2.892 339 HD21 LEU 43 HD21 LEU 43 47.429 -5.255 -3.487 340 HD22 LEU 43 HD22 LEU 43 46.025 -4.484 -2.751 341 HD23 LEU 43 HD23 LEU 43 47.572 -4.488 -1.905 342 H LYS 44 HN LYS 44 48.643 -2.978 -7.778 343 HA LYS 44 HA LYS 44 51.337 -2.862 -6.757 344 HB2 LYS 44 HB2 LYS 44 50.046 -3.518 -9.375 345 HB3 LYS 44 HB1 LYS 44 51.756 -3.097 -9.426 346 HG2 LYS 44 HG2 LYS 44 52.344 -4.881 -7.961 347 HG3 LYS 44 HG1 LYS 44 50.665 -5.160 -7.503 348 HD2 LYS 44 HD2 LYS 44 50.123 -6.055 -9.645 349 HD3 LYS 44 HD1 LYS 44 51.626 -5.463 -10.353 350 HE2 LYS 44 HE2 LYS 44 51.541 -7.496 -8.113 351 HE3 LYS 44 HE1 LYS 44 51.608 -7.942 -9.819 352 HZ1 LYS 44 HZ1 LYS 44 53.559 -6.013 -9.402 353 HZ2 LYS 44 HZ2 LYS 44 53.787 -7.663 -9.735 354 HZ3 LYS 44 HZ3 LYS 44 53.706 -7.120 -8.127 355 H LYS 45 HN LYS 45 49.502 -0.742 -8.969 356 HA LYS 45 HA LYS 45 51.738 0.995 -9.520 357 HB2 LYS 45 HB2 LYS 45 49.807 0.880 -11.002 358 HB3 LYS 45 HB1 LYS 45 48.747 1.440 -9.714 359 HG2 LYS 45 HG2 LYS 45 51.082 3.215 -10.284 360 HG3 LYS 45 HG1 LYS 45 49.901 3.107 -11.583 361 HD2 LYS 45 HD2 LYS 45 48.959 3.584 -8.758 362 HD3 LYS 45 HD1 LYS 45 49.594 4.926 -9.708 363 HE2 LYS 45 HE2 LYS 45 47.928 4.597 -11.421 364 HE3 LYS 45 HE1 LYS 45 47.388 3.090 -10.681 365 HZ1 LYS 45 HZ1 LYS 45 45.862 4.485 -9.798 366 HZ2 LYS 45 HZ2 LYS 45 46.874 5.848 -9.881 367 HZ3 LYS 45 HZ3 LYS 45 47.075 4.711 -8.635 368 H TYR 46 HN TYR 46 49.112 1.058 -7.137 369 HA TYR 46 HA TYR 46 49.641 3.651 -6.069 370 HB2 TYR 46 HB2 TYR 46 47.589 2.409 -5.571 371 HB3 TYR 46 HB1 TYR 46 48.522 1.167 -4.747 372 HD1 TYR 46 HD2 TYR 46 48.266 4.923 -4.680 373 HD2 TYR 46 HD1 TYR 46 48.469 1.274 -2.414 374 HE1 TYR 46 HE2 TYR 46 48.093 6.217 -2.574 375 HE2 TYR 46 HE1 TYR 46 48.287 2.569 -0.311 376 HH TYR 46 HH TYR 46 47.172 5.159 0.164 377 H ILE 47 HN ILE 47 50.870 0.433 -5.141 378 HA ILE 47 HA ILE 47 52.459 1.233 -2.932 379 HB ILE 47 HB ILE 47 52.886 -0.950 -4.992 380 HG12 ILE 47 HG12 ILE 47 52.012 -1.260 -2.114 381 HG13 ILE 47 HG11 ILE 47 50.842 -0.931 -3.391 382 HG21 ILE 47 HG21 ILE 47 55.036 -0.600 -4.048 383 HG22 ILE 47 HG22 ILE 47 54.352 -1.933 -3.122 384 HG23 ILE 47 HG23 ILE 47 54.373 -0.306 -2.441 385 HD11 ILE 47 HD11 ILE 47 52.828 -3.154 -3.788 386 HD12 ILE 47 HD12 ILE 47 51.201 -2.977 -4.437 387 HD13 ILE 47 HD13 ILE 47 51.428 -3.428 -2.750 388 H ALA 48 HN ALA 48 53.436 0.822 -6.346 389 HA ALA 48 HA ALA 48 56.079 1.703 -6.121 390 HB1 ALA 48 HB1 ALA 48 55.123 0.760 -8.193 391 HB2 ALA 48 HB2 ALA 48 55.930 2.295 -8.509 392 HB3 ALA 48 HB3 ALA 48 54.170 2.226 -8.419 393 H GLU 49 HN GLU 49 53.129 3.661 -6.484 394 HA GLU 49 HA GLU 49 54.394 6.175 -6.850 395 HB2 GLU 49 HB2 GLU 49 51.750 5.396 -5.609 396 HB3 GLU 49 HB1 GLU 49 52.252 7.081 -5.747 397 HG2 GLU 49 HG2 GLU 49 52.479 6.849 -8.171 398 HG3 GLU 49 HG1 GLU 49 52.073 5.135 -8.066 399 H LEU 50 HN LEU 50 53.924 4.254 -3.936 400 HA LEU 50 HA LEU 50 54.570 6.442 -2.124 401 HB2 LEU 50 HB2 LEU 50 54.781 3.465 -1.583 402 HB3 LEU 50 HB1 LEU 50 54.664 4.754 -0.387 403 HG LEU 50 HG LEU 50 52.532 3.986 -2.405 404 HD11 LEU 50 HD11 LEU 50 52.401 3.896 0.614 405 HD12 LEU 50 HD12 LEU 50 52.942 2.515 -0.343 406 HD13 LEU 50 HD13 LEU 50 51.308 3.143 -0.546 407 HD21 LEU 50 HD21 LEU 50 51.202 5.660 -0.888 408 HD22 LEU 50 HD22 LEU 50 52.252 6.311 -2.143 409 HD23 LEU 50 HD23 LEU 50 52.796 6.287 -0.465 410 H GLU 51 HN GLU 51 56.419 3.986 -3.846 411 HA GLU 51 HA GLU 51 58.856 4.308 -2.353 412 HB2 GLU 51 HB2 GLU 51 58.227 3.305 -5.133 413 HB3 GLU 51 HB1 GLU 51 59.893 3.435 -4.566 414 HG2 GLU 51 HG2 GLU 51 58.906 1.166 -4.184 415 HG3 GLU 51 HG1 GLU 51 59.424 1.954 -2.693 416 H VAL 52 HN VAL 52 57.378 6.116 -4.973 417 HA VAL 52 HA VAL 52 59.813 7.691 -5.471 418 HB VAL 52 HB VAL 52 56.989 8.192 -6.460 419 HG11 VAL 52 HG11 VAL 52 58.375 10.130 -6.777 420 HG12 VAL 52 HG12 VAL 52 58.306 9.304 -8.334 421 HG13 VAL 52 HG13 VAL 52 59.735 9.144 -7.314 422 HG21 VAL 52 HG21 VAL 52 57.903 7.059 -8.559 423 HG22 VAL 52 HG22 VAL 52 57.584 5.986 -7.196 424 HG23 VAL 52 HG23 VAL 52 59.237 6.484 -7.559 425 H GLN 53 HN GLN 53 56.855 7.934 -3.588 426 HA GLN 53 HA GLN 53 57.152 10.770 -3.036 427 HB2 GLN 53 HB2 GLN 53 54.980 9.458 -3.017 428 HB3 GLN 53 HB1 GLN 53 55.538 8.704 -1.522 429 HG2 GLN 53 HG2 GLN 53 54.184 10.558 -0.883 430 HG3 GLN 53 HG1 GLN 53 55.856 11.030 -0.597 431 HE21 GLN 53 HE21 GLN 53 53.619 11.075 -3.441 432 HE22 GLN 53 HE22 GLN 53 54.006 12.663 -3.899 433 H THR 54 HN THR 54 58.091 7.732 -1.499 434 HA THR 54 HA THR 54 59.033 9.134 0.924 435 HB THR 54 HB THR 54 59.601 6.231 0.344 436 HG1 THR 54 HG1 THR 54 57.155 7.438 0.397 437 HG21 THR 54 HG21 THR 54 60.326 7.414 2.459 438 HG22 THR 54 HG22 THR 54 59.294 6.008 2.723 439 HG23 THR 54 HG23 THR 54 58.618 7.633 2.841 440 H GLY 55 HN GLY 55 60.249 9.495 -1.859 441 HA2 GLY 55 HA2 GLY 55 63.025 9.449 -0.962 442 HA3 GLY 55 HA1 GLY 55 62.689 8.343 -2.293 443 H MET 56 HN MET 56 60.836 11.269 -2.075 444 HA MET 56 HA MET 56 61.581 12.122 -4.700 445 HB2 MET 56 HB2 MET 56 59.480 12.763 -3.401 446 HB3 MET 56 HB1 MET 56 60.484 13.917 -2.524 447 HG2 MET 56 HG2 MET 56 59.490 15.115 -4.355 448 HG3 MET 56 HG1 MET 56 61.184 14.859 -4.772 449 HE1 MET 56 HE1 MET 56 57.655 14.652 -5.813 450 HE2 MET 56 HE2 MET 56 57.681 13.134 -4.920 451 HE3 MET 56 HE3 MET 56 57.432 13.118 -6.664 452 H THR 57 HN THR 57 63.872 12.258 -4.803 453 HA THR 57 HA THR 57 64.979 14.771 -3.723 454 HB THR 57 HB THR 57 66.972 13.578 -2.771 455 HG1 THR 57 HG1 THR 57 66.975 11.430 -2.657 456 HG21 THR 57 HG21 THR 57 64.422 12.621 -1.464 457 HG22 THR 57 HG22 THR 57 64.919 14.312 -1.426 458 HG23 THR 57 HG23 THR 57 65.937 13.078 -0.686 459 H GLN 58 HN GLN 58 66.934 12.020 -4.695 460 HA GLN 58 HA GLN 58 67.115 12.956 -7.488 461 HB2 GLN 58 HB2 GLN 58 69.469 13.066 -5.575 462 HB3 GLN 58 HB1 GLN 58 69.603 13.217 -7.326 463 HG2 GLN 58 HG2 GLN 58 67.914 15.135 -7.142 464 HG3 GLN 58 HG1 GLN 58 68.207 15.084 -5.403 465 HE21 GLN 58 HE21 GLN 58 71.099 14.265 -5.880 466 HE22 GLN 58 HE22 GLN 58 71.879 15.695 -6.355 467 H ARG 59 HN ARG 59 69.168 11.557 -8.440 468 HA ARG 59 HA ARG 59 69.511 8.943 -7.259 469 HB2 ARG 59 HB2 ARG 59 68.164 7.629 -8.783 470 HB3 ARG 59 HB1 ARG 59 67.117 8.839 -8.036 471 HG2 ARG 59 HG2 ARG 59 67.591 10.313 -10.065 472 HG3 ARG 59 HG1 ARG 59 68.306 8.885 -10.817 473 HD2 ARG 59 HD2 ARG 59 65.923 9.149 -11.449 474 HD3 ARG 59 HD1 ARG 59 66.194 7.660 -10.543 475 HE ARG 59 HE ARG 59 65.508 9.507 -8.593 476 HH11 ARG 59 HH21 ARG 59 64.179 8.400 -11.576 477 HH12 ARG 59 HH22 ARG 59 62.537 8.662 -11.094 478 HH21 ARG 59 HH11 ARG 59 63.370 9.856 -7.947 479 HH22 ARG 59 HH12 ARG 59 62.078 9.487 -9.040 480 H ARG 60 HN ARG 60 69.977 7.461 -9.595 481 HA ARG 60 HA ARG 60 72.544 8.441 -10.392 482 HB2 ARG 60 HB2 ARG 60 70.734 6.350 -11.635 483 HB3 ARG 60 HB1 ARG 60 72.395 6.643 -12.150 484 HG2 ARG 60 HG2 ARG 60 73.166 6.200 -9.829 485 HG3 ARG 60 HG1 ARG 60 71.507 5.821 -9.370 486 HD2 ARG 60 HD2 ARG 60 71.879 4.201 -11.596 487 HD3 ARG 60 HD1 ARG 60 73.467 4.157 -10.837 488 HE ARG 60 HE ARG 60 71.252 2.679 -9.958 489 HH11 ARG 60 HH21 ARG 60 73.433 5.005 -8.628 490 HH12 ARG 60 HH22 ARG 60 73.176 4.496 -6.997 491 HH21 ARG 60 HH11 ARG 60 70.925 2.006 -7.841 492 HH22 ARG 60 HH12 ARG 60 71.764 2.800 -6.551 493 H ARG 61 HN ARG 61 73.175 9.085 -12.608 494 HA ARG 61 HA ARG 61 72.958 10.579 -14.407 495 HB2 ARG 61 HB2 ARG 61 71.599 8.579 -15.182 496 HB3 ARG 61 HB1 ARG 61 70.163 9.435 -14.620 497 HG2 ARG 61 HG2 ARG 61 70.745 11.342 -16.101 498 HG3 ARG 61 HG1 ARG 61 72.130 10.431 -16.701 499 HD2 ARG 61 HD2 ARG 61 70.304 10.138 -18.267 500 HD3 ARG 61 HD1 ARG 61 70.542 8.615 -17.411 501 HE ARG 61 HE ARG 61 68.622 9.927 -15.905 502 HH11 ARG 61 HH21 ARG 61 69.052 9.074 -19.218 503 HH12 ARG 61 HH22 ARG 61 67.358 8.898 -19.531 504 HH21 ARG 61 HH11 ARG 61 66.406 9.703 -16.294 505 HH22 ARG 61 HH12 ARG 61 65.860 9.254 -17.876 506 H GLY 62 HN GLY 62 72.873 12.241 -12.549 507 HA2 GLY 62 HA2 GLY 62 70.342 13.393 -11.798 508 HA3 GLY 62 HA1 GLY 62 71.914 14.168 -11.606 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 57.594 8.191 9.739 2 H2 MET 1 HT2 MET 1 56.289 8.168 10.826 3 H3 MET 1 HT3 MET 1 57.078 9.631 10.472 4 HA MET 1 HA MET 1 55.289 9.877 9.119 5 HB2 MET 1 HB2 MET 1 57.164 8.125 7.498 6 HB3 MET 1 HB1 MET 1 55.916 9.174 6.822 7 HG2 MET 1 HG2 MET 1 57.032 11.107 8.023 8 HG3 MET 1 HG1 MET 1 58.363 10.010 8.397 9 HE1 MET 1 HE1 MET 1 58.432 8.193 5.484 10 HE2 MET 1 HE2 MET 1 59.461 8.597 6.856 11 HE3 MET 1 HE3 MET 1 59.964 9.039 5.227 12 H VAL 2 HN VAL 2 53.292 9.035 8.623 13 HA VAL 2 HA VAL 2 52.666 6.342 9.455 14 HB VAL 2 HB VAL 2 50.982 8.214 7.766 15 HG11 VAL 2 HG11 VAL 2 50.321 5.870 9.574 16 HG12 VAL 2 HG12 VAL 2 50.120 5.939 7.822 17 HG13 VAL 2 HG13 VAL 2 49.118 6.949 8.866 18 HG21 VAL 2 HG21 VAL 2 51.731 9.338 9.820 19 HG22 VAL 2 HG22 VAL 2 51.221 7.950 10.782 20 HG23 VAL 2 HG23 VAL 2 50.019 8.932 9.943 21 H ARG 3 HN ARG 3 53.626 7.778 6.435 22 HA ARG 3 HA ARG 3 52.561 5.849 4.627 23 HB2 ARG 3 HB2 ARG 3 55.195 7.336 4.400 24 HB3 ARG 3 HB1 ARG 3 54.289 6.605 3.074 25 HG2 ARG 3 HG2 ARG 3 52.393 8.124 3.538 26 HG3 ARG 3 HG1 ARG 3 53.314 8.866 4.846 27 HD2 ARG 3 HD2 ARG 3 55.049 9.564 3.245 28 HD3 ARG 3 HD1 ARG 3 54.150 8.806 1.931 29 HE ARG 3 HE ARG 3 52.326 10.565 3.049 30 HH11 ARG 3 HH21 ARG 3 55.549 10.735 1.837 31 HH12 ARG 3 HH22 ARG 3 55.401 12.374 1.297 32 HH21 ARG 3 HH11 ARG 3 52.115 12.705 2.351 33 HH22 ARG 3 HH12 ARG 3 53.458 13.489 1.589 34 H GLN 4 HN GLN 4 55.325 5.754 6.786 35 HA GLN 4 HA GLN 4 56.616 3.483 5.568 36 HB2 GLN 4 HB2 GLN 4 57.575 5.150 7.299 37 HB3 GLN 4 HB1 GLN 4 56.759 4.160 8.509 38 HG2 GLN 4 HG2 GLN 4 57.950 2.151 7.538 39 HG3 GLN 4 HG1 GLN 4 58.888 3.269 6.547 40 HE21 GLN 4 HE21 GLN 4 60.880 2.662 7.711 41 HE22 GLN 4 HE22 GLN 4 61.167 3.224 9.287 42 H GLU 5 HN GLU 5 54.459 3.778 8.407 43 HA GLU 5 HA GLU 5 54.243 0.918 8.778 44 HB2 GLU 5 HB2 GLU 5 53.822 2.559 10.596 45 HB3 GLU 5 HB1 GLU 5 52.390 3.122 9.733 46 HG2 GLU 5 HG2 GLU 5 51.348 0.941 9.918 47 HG3 GLU 5 HG1 GLU 5 52.815 0.254 10.614 48 H GLU 6 HN GLU 6 52.248 3.360 7.129 49 HA GLU 6 HA GLU 6 50.093 1.583 6.500 50 HB2 GLU 6 HB2 GLU 6 49.630 3.905 6.308 51 HB3 GLU 6 HB1 GLU 6 51.041 4.198 5.299 52 HG2 GLU 6 HG2 GLU 6 48.841 4.176 4.058 53 HG3 GLU 6 HG1 GLU 6 50.041 3.046 3.436 54 H LEU 7 HN LEU 7 53.304 1.869 5.231 55 HA LEU 7 HA LEU 7 52.697 0.727 2.623 56 HB2 LEU 7 HB2 LEU 7 54.714 2.067 2.874 57 HB3 LEU 7 HB1 LEU 7 55.286 1.027 4.173 58 HG LEU 7 HG LEU 7 55.616 -0.819 2.667 59 HD11 LEU 7 HD11 LEU 7 53.775 -0.767 1.189 60 HD12 LEU 7 HD12 LEU 7 55.141 -0.367 0.149 61 HD13 LEU 7 HD13 LEU 7 54.074 0.910 0.731 62 HD21 LEU 7 HD21 LEU 7 57.424 0.805 2.655 63 HD22 LEU 7 HD22 LEU 7 56.577 1.797 1.468 64 HD23 LEU 7 HD23 LEU 7 57.199 0.211 1.010 65 H ALA 8 HN ALA 8 54.146 -0.510 5.643 66 HA ALA 8 HA ALA 8 54.423 -3.209 4.761 67 HB1 ALA 8 HB1 ALA 8 55.519 -2.339 6.801 68 HB2 ALA 8 HB2 ALA 8 54.564 -3.780 7.153 69 HB3 ALA 8 HB3 ALA 8 53.942 -2.185 7.577 70 H ALA 9 HN ALA 9 51.650 -1.393 5.811 71 HA ALA 9 HA ALA 9 50.004 -3.694 6.479 72 HB1 ALA 9 HB1 ALA 9 48.132 -1.968 6.326 73 HB2 ALA 9 HB2 ALA 9 49.381 -0.782 5.948 74 HB3 ALA 9 HB3 ALA 9 49.400 -1.617 7.501 75 H ALA 10 HN ALA 10 49.928 -1.381 3.716 76 HA ALA 10 HA ALA 10 48.020 -2.873 2.219 77 HB1 ALA 10 HB1 ALA 10 48.306 -0.772 1.285 78 HB2 ALA 10 HB2 ALA 10 49.367 -1.692 0.217 79 HB3 ALA 10 HB3 ALA 10 50.046 -0.776 1.562 80 H ARG 11 HN ARG 11 51.450 -3.245 2.695 81 HA ARG 11 HA ARG 11 51.926 -5.086 0.521 82 HB2 ARG 11 HB2 ARG 11 53.581 -3.768 2.132 83 HB3 ARG 11 HB1 ARG 11 53.434 -5.200 3.144 84 HG2 ARG 11 HG2 ARG 11 55.188 -5.942 1.848 85 HG3 ARG 11 HG1 ARG 11 53.893 -6.404 0.746 86 HD2 ARG 11 HD2 ARG 11 54.119 -4.163 -0.352 87 HD3 ARG 11 HD1 ARG 11 55.517 -3.848 0.675 88 HE ARG 11 HE ARG 11 56.116 -6.271 -0.533 89 HH11 ARG 11 HH21 ARG 11 55.143 -3.133 -1.578 90 HH12 ARG 11 HH22 ARG 11 55.988 -3.228 -3.087 91 HH21 ARG 11 HH11 ARG 11 57.225 -6.413 -2.497 92 HH22 ARG 11 HH12 ARG 11 57.166 -5.084 -3.607 93 H ALA 12 HN ALA 12 51.285 -5.536 4.063 94 HA ALA 12 HA ALA 12 51.259 -8.348 4.079 95 HB1 ALA 12 HB1 ALA 12 49.756 -8.168 6.041 96 HB2 ALA 12 HB2 ALA 12 49.473 -6.472 5.649 97 HB3 ALA 12 HB3 ALA 12 51.080 -7.007 6.141 98 H ALA 13 HN ALA 13 49.173 -6.169 2.604 99 HA ALA 13 HA ALA 13 46.858 -7.917 2.425 100 HB1 ALA 13 HB1 ALA 13 47.010 -5.290 2.196 101 HB2 ALA 13 HB2 ALA 13 45.829 -6.187 1.242 102 HB3 ALA 13 HB3 ALA 13 47.336 -5.652 0.502 103 H LEU 14 HN LEU 14 49.586 -7.052 0.260 104 HA LEU 14 HA LEU 14 48.646 -8.516 -1.970 105 HB2 LEU 14 HB2 LEU 14 51.129 -7.246 -1.275 106 HB3 LEU 14 HB1 LEU 14 51.501 -8.831 -1.924 107 HG LEU 14 HG LEU 14 49.625 -6.901 -3.323 108 HD11 LEU 14 HD11 LEU 14 51.906 -5.912 -3.025 109 HD12 LEU 14 HD12 LEU 14 51.480 -6.211 -4.707 110 HD13 LEU 14 HD13 LEU 14 52.574 -7.310 -3.866 111 HD21 LEU 14 HD21 LEU 14 51.282 -9.103 -4.548 112 HD22 LEU 14 HD22 LEU 14 49.800 -8.362 -5.154 113 HD23 LEU 14 HD23 LEU 14 49.735 -9.472 -3.788 114 H HIS 15 HN HIS 15 50.130 -9.589 1.003 115 HA HIS 15 HA HIS 15 50.593 -12.310 0.045 116 HB2 HIS 15 HB2 HIS 15 51.873 -11.288 1.943 117 HB3 HIS 15 HB1 HIS 15 50.389 -11.295 2.897 118 HD1 HIS 15 HD1 HIS 15 50.219 -13.286 4.370 119 HD2 HIS 15 HD2 HIS 15 52.306 -14.162 0.868 120 HE1 HIS 15 HE1 HIS 15 50.895 -15.722 4.529 121 H ASP 16 HN ASP 16 48.019 -10.555 1.665 122 HA ASP 16 HA ASP 16 46.471 -12.919 2.342 123 HB2 ASP 16 HB2 ASP 16 45.441 -10.091 2.075 124 HB3 ASP 16 HB1 ASP 16 44.797 -11.385 3.083 125 H LEU 17 HN LEU 17 46.688 -10.797 -0.448 126 HA LEU 17 HA LEU 17 44.176 -11.777 -1.606 127 HB2 LEU 17 HB2 LEU 17 46.394 -10.114 -2.848 128 HB3 LEU 17 HB1 LEU 17 44.814 -10.399 -3.556 129 HG LEU 17 HG LEU 17 45.154 -9.158 -0.817 130 HD11 LEU 17 HD11 LEU 17 44.932 -6.970 -1.858 131 HD12 LEU 17 HD12 LEU 17 44.800 -7.704 -3.453 132 HD13 LEU 17 HD13 LEU 17 46.319 -7.795 -2.567 133 HD21 LEU 17 HD21 LEU 17 42.864 -8.193 -1.544 134 HD22 LEU 17 HD22 LEU 17 42.919 -9.898 -1.109 135 HD23 LEU 17 HD23 LEU 17 42.888 -9.420 -2.806 136 H MET 18 HN MET 18 47.536 -12.702 -1.711 137 HA MET 18 HA MET 18 47.131 -14.357 -4.132 138 HB2 MET 18 HB2 MET 18 49.409 -13.196 -2.711 139 HB3 MET 18 HB1 MET 18 49.692 -14.903 -3.033 140 HG2 MET 18 HG2 MET 18 50.529 -13.635 -4.915 141 HG3 MET 18 HG1 MET 18 49.072 -14.479 -5.438 142 HE1 MET 18 HE1 MET 18 48.716 -12.706 -7.573 143 HE2 MET 18 HE2 MET 18 50.344 -12.386 -6.980 144 HE3 MET 18 HE3 MET 18 49.257 -11.041 -7.321 145 H THR 19 HN THR 19 46.654 -14.716 -0.795 146 HA THR 19 HA THR 19 47.381 -17.588 -0.756 147 HB THR 19 HB THR 19 46.285 -17.324 1.630 148 HG1 THR 19 HG1 THR 19 45.343 -15.349 1.368 149 HG21 THR 19 HG21 THR 19 48.703 -17.607 1.197 150 HG22 THR 19 HG22 THR 19 48.416 -16.455 2.499 151 HG23 THR 19 HG23 THR 19 48.846 -15.877 0.888 152 H GLY 20 HN GLY 20 44.752 -15.805 -1.811 153 HA2 GLY 20 HA2 GLY 20 42.971 -17.294 -2.848 154 HA3 GLY 20 HA1 GLY 20 42.848 -18.075 -1.274 155 H LYS 21 HN LYS 21 42.827 -15.945 0.473 156 HA LYS 21 HA LYS 21 40.164 -15.043 0.389 157 HB2 LYS 21 HB2 LYS 21 42.415 -13.468 1.660 158 HB3 LYS 21 HB1 LYS 21 40.731 -13.561 2.177 159 HG2 LYS 21 HG2 LYS 21 41.172 -16.102 2.468 160 HG3 LYS 21 HG1 LYS 21 42.880 -15.670 2.394 161 HD2 LYS 21 HD2 LYS 21 42.620 -14.160 4.296 162 HD3 LYS 21 HD1 LYS 21 40.884 -14.466 4.334 163 HE2 LYS 21 HE2 LYS 21 41.285 -16.829 4.843 164 HE3 LYS 21 HE1 LYS 21 43.026 -16.574 4.737 165 HZ1 LYS 21 HZ1 LYS 21 41.149 -15.430 6.725 166 HZ2 LYS 21 HZ2 LYS 21 42.747 -14.883 6.535 167 HZ3 LYS 21 HZ3 LYS 21 42.446 -16.486 7.012 168 H ARG 22 HN ARG 22 39.268 -13.744 -1.137 169 HA ARG 22 HA ARG 22 41.012 -11.991 -2.732 170 HB2 ARG 22 HB2 ARG 22 39.058 -11.691 -4.178 171 HB3 ARG 22 HB1 ARG 22 39.383 -13.398 -3.887 172 HG2 ARG 22 HG2 ARG 22 37.607 -13.523 -2.243 173 HG3 ARG 22 HG1 ARG 22 37.338 -11.786 -2.329 174 HD2 ARG 22 HD2 ARG 22 37.053 -12.524 -4.986 175 HD3 ARG 22 HD1 ARG 22 36.372 -13.916 -4.151 176 HE ARG 22 HE ARG 22 35.040 -11.473 -4.524 177 HH11 ARG 22 HH21 ARG 22 35.936 -13.501 -1.874 178 HH12 ARG 22 HH22 ARG 22 34.710 -12.883 -0.825 179 HH21 ARG 22 HH11 ARG 22 33.435 -10.678 -3.169 180 HH22 ARG 22 HH12 ARG 22 33.294 -11.292 -1.557 181 H VAL 23 HN VAL 23 38.371 -11.626 -0.384 182 HA VAL 23 HA VAL 23 38.285 -8.702 -0.814 183 HB VAL 23 HB VAL 23 36.263 -10.029 -0.164 184 HG11 VAL 23 HG11 VAL 23 37.624 -11.520 1.418 185 HG12 VAL 23 HG12 VAL 23 36.062 -10.971 2.026 186 HG13 VAL 23 HG13 VAL 23 37.544 -10.191 2.575 187 HG21 VAL 23 HG21 VAL 23 36.428 -7.596 0.302 188 HG22 VAL 23 HG22 VAL 23 37.149 -7.954 1.872 189 HG23 VAL 23 HG23 VAL 23 35.483 -8.426 1.539 190 H ALA 24 HN ALA 24 39.393 -7.203 0.351 191 HA ALA 24 HA ALA 24 40.721 -8.010 2.904 192 HB1 ALA 24 HB1 ALA 24 42.437 -8.315 1.195 193 HB2 ALA 24 HB2 ALA 24 42.819 -6.889 2.158 194 HB3 ALA 24 HB3 ALA 24 42.119 -6.704 0.551 195 H THR 25 HN THR 25 41.188 -6.205 4.286 196 HA THR 25 HA THR 25 39.611 -3.733 3.600 197 HB THR 25 HB THR 25 40.597 -4.551 6.343 198 HG1 THR 25 HG1 THR 25 38.045 -5.111 5.271 199 HG21 THR 25 HG21 THR 25 38.320 -2.819 5.350 200 HG22 THR 25 HG22 THR 25 39.821 -2.245 6.078 201 HG23 THR 25 HG23 THR 25 38.666 -3.164 7.045 202 H VAL 26 HN VAL 26 40.615 -1.689 3.770 203 HA VAL 26 HA VAL 26 43.406 -1.546 4.731 204 HB VAL 26 HB VAL 26 43.729 -0.103 2.435 205 HG11 VAL 26 HG11 VAL 26 44.942 -2.010 1.525 206 HG12 VAL 26 HG12 VAL 26 44.056 -3.118 2.573 207 HG13 VAL 26 HG13 VAL 26 45.187 -1.956 3.270 208 HG21 VAL 26 HG21 VAL 26 42.648 -1.145 0.587 209 HG22 VAL 26 HG22 VAL 26 41.381 -0.807 1.762 210 HG23 VAL 26 HG23 VAL 26 42.014 -2.445 1.591 211 H GLN 27 HN GLN 27 43.789 0.323 5.729 212 HA GLN 27 HA GLN 27 41.633 2.303 5.954 213 HB2 GLN 27 HB2 GLN 27 44.418 2.258 7.175 214 HB3 GLN 27 HB1 GLN 27 43.112 3.344 7.644 215 HG2 GLN 27 HG2 GLN 27 42.895 0.325 7.771 216 HG3 GLN 27 HG1 GLN 27 43.394 1.320 9.138 217 HE21 GLN 27 HE21 GLN 27 41.337 3.372 7.684 218 HE22 GLN 27 HE22 GLN 27 39.869 2.906 8.392 219 H LYS 28 HN LYS 28 41.496 3.957 4.492 220 HA LYS 28 HA LYS 28 44.032 5.117 3.396 221 HB2 LYS 28 HB2 LYS 28 42.958 3.544 1.767 222 HB3 LYS 28 HB1 LYS 28 41.521 4.568 1.797 223 HG2 LYS 28 HG2 LYS 28 42.760 6.453 0.930 224 HG3 LYS 28 HG1 LYS 28 44.287 5.582 1.084 225 HD2 LYS 28 HD2 LYS 28 43.384 3.872 -0.534 226 HD3 LYS 28 HD1 LYS 28 41.996 4.931 -0.788 227 HE2 LYS 28 HE2 LYS 28 43.569 5.429 -2.534 228 HE3 LYS 28 HE1 LYS 28 43.643 6.768 -1.387 229 HZ1 LYS 28 HZ1 LYS 28 45.790 6.362 -1.142 230 HZ2 LYS 28 HZ2 LYS 28 45.699 5.022 -2.184 231 HZ3 LYS 28 HZ3 LYS 28 45.434 4.826 -0.517 232 H ASP 29 HN ASP 29 43.999 7.399 3.718 233 HA ASP 29 HA ASP 29 43.081 9.530 4.265 234 HB2 ASP 29 HB2 ASP 29 42.357 9.184 1.867 235 HB3 ASP 29 HB1 ASP 29 40.821 8.574 2.484 236 H GLY 30 HN GLY 30 42.646 7.903 6.353 237 HA2 GLY 30 HA2 GLY 30 41.184 7.384 8.125 238 HA3 GLY 30 HA1 GLY 30 40.517 8.979 7.775 239 H ARG 31 HN ARG 31 40.423 6.291 5.495 240 HA ARG 31 HA ARG 31 37.587 5.751 6.129 241 HB2 ARG 31 HB2 ARG 31 37.552 7.658 4.513 242 HB3 ARG 31 HB1 ARG 31 38.474 6.680 3.378 243 HG2 ARG 31 HG2 ARG 31 36.041 6.641 2.878 244 HG3 ARG 31 HG1 ARG 31 36.670 5.042 3.256 245 HD2 ARG 31 HD2 ARG 31 34.418 5.893 4.366 246 HD3 ARG 31 HD1 ARG 31 35.566 4.935 5.302 247 HE ARG 31 HE ARG 31 36.369 7.534 5.779 248 HH11 ARG 31 HH21 ARG 31 33.404 5.786 5.924 249 HH12 ARG 31 HH22 ARG 31 32.758 6.731 7.224 250 HH21 ARG 31 HH11 ARG 31 35.545 8.779 7.474 251 HH22 ARG 31 HH12 ARG 31 33.969 8.426 8.101 252 H ARG 32 HN ARG 32 37.126 3.670 5.798 253 HA ARG 32 HA ARG 32 39.242 1.872 4.829 254 HB2 ARG 32 HB2 ARG 32 36.547 1.481 6.138 255 HB3 ARG 32 HB1 ARG 32 37.503 0.123 5.548 256 HG2 ARG 32 HG2 ARG 32 39.384 0.810 6.979 257 HG3 ARG 32 HG1 ARG 32 38.445 2.187 7.556 258 HD2 ARG 32 HD2 ARG 32 37.652 -0.722 7.885 259 HD3 ARG 32 HD1 ARG 32 38.356 0.287 9.148 260 HE ARG 32 HE ARG 32 36.140 1.725 8.317 261 HH11 ARG 32 HH21 ARG 32 36.779 -1.490 9.387 262 HH12 ARG 32 HH22 ARG 32 35.219 -1.702 10.108 263 HH21 ARG 32 HH11 ARG 32 34.098 1.466 9.252 264 HH22 ARG 32 HH12 ARG 32 33.701 -0.028 10.032 265 H VAL 33 HN VAL 33 39.079 0.503 3.066 266 HA VAL 33 HA VAL 33 36.621 0.508 1.401 267 HB VAL 33 HB VAL 33 39.352 1.328 0.340 268 HG11 VAL 33 HG11 VAL 33 36.772 0.567 -1.060 269 HG12 VAL 33 HG12 VAL 33 38.356 -0.182 -1.258 270 HG13 VAL 33 HG13 VAL 33 38.072 1.454 -1.852 271 HG21 VAL 33 HG21 VAL 33 36.671 2.714 0.607 272 HG22 VAL 33 HG22 VAL 33 37.906 3.281 -0.516 273 HG23 VAL 33 HG23 VAL 33 38.237 3.254 1.213 274 H GLU 34 HN GLU 34 36.454 -1.362 0.151 275 HA GLU 34 HA GLU 34 38.463 -3.501 0.804 276 HB2 GLU 34 HB2 GLU 34 35.460 -3.470 0.637 277 HB3 GLU 34 HB1 GLU 34 36.304 -4.975 0.280 278 HG2 GLU 34 HG2 GLU 34 37.284 -5.061 2.450 279 HG3 GLU 34 HG1 GLU 34 36.855 -3.383 2.792 280 H PHE 35 HN PHE 35 39.769 -3.596 -1.051 281 HA PHE 35 HA PHE 35 38.432 -3.659 -3.718 282 HB2 PHE 35 HB2 PHE 35 41.321 -3.505 -2.819 283 HB3 PHE 35 HB1 PHE 35 40.919 -3.933 -4.475 284 HD1 PHE 35 HD1 PHE 35 38.900 -2.242 -5.444 285 HD2 PHE 35 HD2 PHE 35 41.933 -1.284 -2.557 286 HE1 PHE 35 HE1 PHE 35 38.702 0.160 -6.019 287 HE2 PHE 35 HE2 PHE 35 41.734 1.109 -3.121 288 HZ PHE 35 HZ PHE 35 40.115 1.838 -4.861 289 H THR 36 HN THR 36 38.387 -5.591 -4.940 290 HA THR 36 HA THR 36 39.159 -8.068 -3.444 291 HB THR 36 HB THR 36 37.677 -9.250 -5.003 292 HG1 THR 36 HG1 THR 36 36.406 -7.541 -6.327 293 HG21 THR 36 HG21 THR 36 35.634 -8.478 -4.155 294 HG22 THR 36 HG22 THR 36 36.142 -6.791 -4.191 295 HG23 THR 36 HG23 THR 36 36.792 -7.882 -2.968 296 H ALA 37 HN ALA 37 39.997 -9.884 -5.040 297 HA ALA 37 HA ALA 37 42.448 -9.053 -6.182 298 HB1 ALA 37 HB1 ALA 37 42.225 -11.281 -7.514 299 HB2 ALA 37 HB2 ALA 37 40.734 -11.501 -6.599 300 HB3 ALA 37 HB3 ALA 37 42.276 -11.368 -5.755 301 H THR 38 HN THR 38 39.311 -8.556 -7.357 302 HA THR 38 HA THR 38 39.746 -8.711 -10.183 303 HB THR 38 HB THR 38 37.756 -7.239 -10.354 304 HG1 THR 38 HG1 THR 38 38.532 -6.138 -8.295 305 HG21 THR 38 HG21 THR 38 37.705 -9.776 -9.642 306 HG22 THR 38 HG22 THR 38 36.231 -8.813 -9.546 307 HG23 THR 38 HG23 THR 38 37.172 -9.128 -8.089 308 H SER 39 HN SER 39 40.651 -6.344 -7.793 309 HA SER 39 HA SER 39 41.724 -4.573 -9.977 310 HB2 SER 39 HB2 SER 39 41.222 -2.647 -8.641 311 HB3 SER 39 HB1 SER 39 39.758 -3.624 -8.670 312 HG SER 39 HG SER 39 40.247 -4.376 -6.633 313 H VAL 40 HN VAL 40 43.367 -6.552 -9.144 314 HA VAL 40 HA VAL 40 44.960 -5.658 -6.837 315 HB VAL 40 HB VAL 40 44.716 -8.045 -7.164 316 HG11 VAL 40 HG11 VAL 40 46.136 -7.687 -9.838 317 HG12 VAL 40 HG12 VAL 40 44.396 -7.937 -9.675 318 HG13 VAL 40 HG13 VAL 40 45.522 -9.195 -9.167 319 HG21 VAL 40 HG21 VAL 40 47.545 -7.372 -8.020 320 HG22 VAL 40 HG22 VAL 40 47.017 -8.681 -6.966 321 HG23 VAL 40 HG23 VAL 40 46.955 -7.010 -6.399 322 H SER 41 HN SER 41 44.900 -4.872 -10.178 323 HA SER 41 HA SER 41 47.742 -4.399 -10.513 324 HB2 SER 41 HB2 SER 41 47.046 -3.158 -12.535 325 HB3 SER 41 HB1 SER 41 46.263 -4.733 -12.450 326 HG SER 41 HG SER 41 45.206 -2.168 -11.925 327 H ASP 42 HN ASP 42 44.939 -2.264 -9.895 328 HA ASP 42 HA ASP 42 46.357 0.179 -9.722 329 HB2 ASP 42 HB2 ASP 42 44.454 0.775 -8.042 330 HB3 ASP 42 HB1 ASP 42 44.003 0.351 -9.693 331 H LEU 43 HN LEU 43 46.047 -2.476 -7.336 332 HA LEU 43 HA LEU 43 47.068 -0.972 -5.117 333 HB2 LEU 43 HB2 LEU 43 45.922 -3.307 -5.129 334 HB3 LEU 43 HB1 LEU 43 47.520 -3.936 -5.514 335 HG LEU 43 HG LEU 43 48.429 -2.929 -3.437 336 HD11 LEU 43 HD11 LEU 43 46.402 -2.248 -1.783 337 HD12 LEU 43 HD12 LEU 43 45.664 -1.762 -3.307 338 HD13 LEU 43 HD13 LEU 43 47.202 -1.063 -2.808 339 HD21 LEU 43 HD21 LEU 43 47.435 -4.509 -1.932 340 HD22 LEU 43 HD22 LEU 43 47.355 -5.232 -3.538 341 HD23 LEU 43 HD23 LEU 43 45.915 -4.507 -2.826 342 H LYS 44 HN LYS 44 48.591 -2.824 -7.725 343 HA LYS 44 HA LYS 44 51.276 -2.659 -6.694 344 HB2 LYS 44 HB2 LYS 44 50.062 -3.155 -9.401 345 HB3 LYS 44 HB1 LYS 44 51.793 -2.836 -9.299 346 HG2 LYS 44 HG2 LYS 44 52.084 -4.690 -7.740 347 HG3 LYS 44 HG1 LYS 44 50.348 -4.979 -7.719 348 HD2 LYS 44 HD2 LYS 44 50.596 -5.238 -10.312 349 HD3 LYS 44 HD1 LYS 44 52.311 -5.449 -9.959 350 HE2 LYS 44 HE2 LYS 44 51.578 -7.657 -9.865 351 HE3 LYS 44 HE1 LYS 44 51.392 -7.194 -8.173 352 HZ1 LYS 44 HZ1 LYS 44 49.394 -7.855 -10.116 353 HZ2 LYS 44 HZ2 LYS 44 49.069 -6.387 -9.324 354 HZ3 LYS 44 HZ3 LYS 44 49.287 -7.812 -8.424 355 H LYS 45 HN LYS 45 49.469 -0.579 -8.980 356 HA LYS 45 HA LYS 45 51.606 1.265 -9.430 357 HB2 LYS 45 HB2 LYS 45 49.392 0.989 -10.711 358 HB3 LYS 45 HB1 LYS 45 48.675 1.987 -9.449 359 HG2 LYS 45 HG2 LYS 45 50.228 3.805 -9.937 360 HG3 LYS 45 HG1 LYS 45 51.079 2.802 -11.108 361 HD2 LYS 45 HD2 LYS 45 49.636 4.156 -12.420 362 HD3 LYS 45 HD1 LYS 45 48.835 2.590 -12.336 363 HE2 LYS 45 HE2 LYS 45 47.276 3.363 -10.700 364 HE3 LYS 45 HE1 LYS 45 48.210 4.827 -10.392 365 HZ1 LYS 45 HZ1 LYS 45 47.654 5.689 -12.490 366 HZ2 LYS 45 HZ2 LYS 45 46.200 5.082 -11.853 367 HZ3 LYS 45 HZ3 LYS 45 47.042 4.205 -13.040 368 H TYR 46 HN TYR 46 48.972 1.231 -7.045 369 HA TYR 46 HA TYR 46 49.448 3.771 -5.875 370 HB2 TYR 46 HB2 TYR 46 47.472 2.405 -5.372 371 HB3 TYR 46 HB1 TYR 46 48.490 1.196 -4.599 372 HD1 TYR 46 HD2 TYR 46 48.025 4.929 -4.439 373 HD2 TYR 46 HD1 TYR 46 48.498 1.250 -2.265 374 HE1 TYR 46 HE2 TYR 46 47.834 6.165 -2.298 375 HE2 TYR 46 HE1 TYR 46 48.298 2.485 -0.128 376 HH TYR 46 HH TYR 46 47.174 5.660 0.062 377 H ILE 47 HN ILE 47 50.713 0.573 -4.895 378 HA ILE 47 HA ILE 47 52.394 1.435 -2.800 379 HB ILE 47 HB ILE 47 52.868 -0.776 -4.818 380 HG12 ILE 47 HG12 ILE 47 51.827 -1.120 -2.003 381 HG13 ILE 47 HG11 ILE 47 50.719 -0.734 -3.319 382 HG21 ILE 47 HG21 ILE 47 54.237 -1.730 -2.888 383 HG22 ILE 47 HG22 ILE 47 54.149 -0.128 -2.157 384 HG23 ILE 47 HG23 ILE 47 54.942 -0.343 -3.717 385 HD11 ILE 47 HD11 ILE 47 52.674 -2.970 -3.744 386 HD12 ILE 47 HD12 ILE 47 51.046 -2.765 -4.379 387 HD13 ILE 47 HD13 ILE 47 51.278 -3.263 -2.705 388 H ALA 48 HN ALA 48 53.137 1.072 -6.267 389 HA ALA 48 HA ALA 48 55.829 1.836 -6.227 390 HB1 ALA 48 HB1 ALA 48 54.678 0.995 -8.237 391 HB2 ALA 48 HB2 ALA 48 55.515 2.509 -8.576 392 HB3 ALA 48 HB3 ALA 48 53.767 2.502 -8.346 393 H GLU 49 HN GLU 49 52.962 3.959 -6.453 394 HA GLU 49 HA GLU 49 54.349 6.396 -6.785 395 HB2 GLU 49 HB2 GLU 49 51.799 5.893 -6.870 396 HB3 GLU 49 HB1 GLU 49 51.828 6.190 -5.132 397 HG2 GLU 49 HG2 GLU 49 52.966 8.394 -5.628 398 HG3 GLU 49 HG1 GLU 49 52.635 8.098 -7.335 399 H LEU 50 HN LEU 50 53.829 4.470 -3.875 400 HA LEU 50 HA LEU 50 54.678 6.639 -2.097 401 HB2 LEU 50 HB2 LEU 50 54.578 3.690 -1.429 402 HB3 LEU 50 HB1 LEU 50 54.477 5.053 -0.319 403 HG LEU 50 HG LEU 50 52.419 4.231 -2.388 404 HD11 LEU 50 HD11 LEU 50 52.455 4.350 0.635 405 HD12 LEU 50 HD12 LEU 50 52.239 2.925 -0.383 406 HD13 LEU 50 HD13 LEU 50 50.978 4.155 -0.306 407 HD21 LEU 50 HD21 LEU 50 52.371 6.598 -2.468 408 HD22 LEU 50 HD22 LEU 50 52.717 6.751 -0.746 409 HD23 LEU 50 HD23 LEU 50 51.132 6.197 -1.282 410 H GLU 51 HN GLU 51 56.222 3.915 -3.730 411 HA GLU 51 HA GLU 51 58.679 3.997 -2.243 412 HB2 GLU 51 HB2 GLU 51 58.049 3.082 -5.059 413 HB3 GLU 51 HB1 GLU 51 59.645 2.915 -4.329 414 HG2 GLU 51 HG2 GLU 51 58.821 1.468 -2.619 415 HG3 GLU 51 HG1 GLU 51 57.143 1.849 -3.006 416 H VAL 52 HN VAL 52 57.413 5.892 -4.914 417 HA VAL 52 HA VAL 52 59.983 7.151 -5.507 418 HB VAL 52 HB VAL 52 57.195 8.063 -6.288 419 HG11 VAL 52 HG11 VAL 52 58.545 9.022 -8.239 420 HG12 VAL 52 HG12 VAL 52 59.986 8.687 -7.280 421 HG13 VAL 52 HG13 VAL 52 58.772 9.819 -6.683 422 HG21 VAL 52 HG21 VAL 52 59.139 6.283 -7.796 423 HG22 VAL 52 HG22 VAL 52 57.556 6.810 -8.363 424 HG23 VAL 52 HG23 VAL 52 57.678 5.714 -6.988 425 H GLN 53 HN GLN 53 57.217 7.807 -3.424 426 HA GLN 53 HA GLN 53 57.927 10.567 -2.890 427 HB2 GLN 53 HB2 GLN 53 56.158 8.547 -1.500 428 HB3 GLN 53 HB1 GLN 53 56.433 10.153 -0.823 429 HG2 GLN 53 HG2 GLN 53 55.544 11.213 -2.808 430 HG3 GLN 53 HG1 GLN 53 55.435 9.662 -3.642 431 HE21 GLN 53 HE21 GLN 53 53.706 8.192 -3.012 432 HE22 GLN 53 HE22 GLN 53 52.410 8.708 -2.044 433 H THR 54 HN THR 54 58.698 7.453 -1.382 434 HA THR 54 HA THR 54 60.467 8.855 0.590 435 HB THR 54 HB THR 54 60.548 6.481 1.602 436 HG1 THR 54 HG1 THR 54 58.756 6.212 -0.500 437 HG21 THR 54 HG21 THR 54 59.208 8.379 2.513 438 HG22 THR 54 HG22 THR 54 58.438 6.814 2.774 439 HG23 THR 54 HG23 THR 54 57.861 7.879 1.491 440 H GLY 55 HN GLY 55 60.949 8.191 -2.383 441 HA2 GLY 55 HA2 GLY 55 62.811 7.532 -3.654 442 HA3 GLY 55 HA1 GLY 55 63.727 7.540 -2.145 443 H MET 56 HN MET 56 63.423 5.598 -0.722 444 HA MET 56 HA MET 56 63.526 3.281 -0.434 445 HB2 MET 56 HB2 MET 56 61.053 3.871 -1.533 446 HB3 MET 56 HB1 MET 56 61.653 2.663 -2.662 447 HG2 MET 56 HG2 MET 56 60.453 1.499 -0.922 448 HG3 MET 56 HG1 MET 56 62.171 1.190 -0.667 449 HE1 MET 56 HE1 MET 56 58.921 2.254 1.144 450 HE2 MET 56 HE2 MET 56 59.296 3.505 -0.037 451 HE3 MET 56 HE3 MET 56 59.337 3.887 1.681 452 H THR 57 HN THR 57 64.333 1.293 -1.490 453 HA THR 57 HA THR 57 65.979 0.298 -2.847 454 HB THR 57 HB THR 57 65.456 0.361 -5.248 455 HG1 THR 57 HG1 THR 57 64.913 2.705 -5.061 456 HG21 THR 57 HG21 THR 57 62.837 0.408 -3.748 457 HG22 THR 57 HG22 THR 57 64.005 -0.898 -3.545 458 HG23 THR 57 HG23 THR 57 63.287 -0.594 -5.127 459 H GLN 58 HN GLN 58 67.366 2.132 -1.748 460 HA GLN 58 HA GLN 58 69.122 3.178 -3.786 461 HB2 GLN 58 HB2 GLN 58 67.233 4.841 -3.879 462 HB3 GLN 58 HB1 GLN 58 67.573 5.242 -2.195 463 HG2 GLN 58 HG2 GLN 58 69.837 5.939 -2.773 464 HG3 GLN 58 HG1 GLN 58 69.596 5.433 -4.445 465 HE21 GLN 58 HE21 GLN 58 68.685 6.960 -5.862 466 HE22 GLN 58 HE22 GLN 58 68.011 8.437 -5.369 467 H ARG 59 HN ARG 59 71.123 3.323 -2.884 468 HA ARG 59 HA ARG 59 71.598 4.262 -0.198 469 HB2 ARG 59 HB2 ARG 59 70.604 1.949 0.184 470 HB3 ARG 59 HB1 ARG 59 72.037 1.296 -0.611 471 HG2 ARG 59 HG2 ARG 59 73.473 2.441 1.050 472 HG3 ARG 59 HG1 ARG 59 72.032 3.056 1.859 473 HD2 ARG 59 HD2 ARG 59 72.831 0.151 1.531 474 HD3 ARG 59 HD1 ARG 59 72.767 1.068 3.036 475 HE ARG 59 HE ARG 59 70.187 1.249 2.042 476 HH11 ARG 59 HH21 ARG 59 72.437 -1.273 2.722 477 HH12 ARG 59 HH22 ARG 59 71.217 -2.438 3.113 478 HH21 ARG 59 HH11 ARG 59 68.580 -0.258 2.549 479 HH22 ARG 59 HH12 ARG 59 69.033 -1.864 3.016 480 H ARG 60 HN ARG 60 73.876 4.422 0.228 481 HA ARG 60 HA ARG 60 75.853 3.237 -1.511 482 HB2 ARG 60 HB2 ARG 60 74.747 5.045 -2.969 483 HB3 ARG 60 HB1 ARG 60 75.500 6.216 -1.886 484 HG2 ARG 60 HG2 ARG 60 77.715 5.292 -2.379 485 HG3 ARG 60 HG1 ARG 60 76.989 4.060 -3.412 486 HD2 ARG 60 HD2 ARG 60 77.869 5.967 -4.734 487 HD3 ARG 60 HD1 ARG 60 76.124 5.793 -4.915 488 HE ARG 60 HE ARG 60 76.395 7.588 -2.823 489 HH11 ARG 60 HH21 ARG 60 77.580 7.307 -6.048 490 HH12 ARG 60 HH22 ARG 60 77.667 9.017 -6.307 491 HH21 ARG 60 HH11 ARG 60 76.501 9.823 -3.143 492 HH22 ARG 60 HH12 ARG 60 77.056 10.441 -4.662 493 H ARG 61 HN ARG 61 75.803 3.184 1.173 494 HA ARG 61 HA ARG 61 76.969 3.788 3.122 495 HB2 ARG 61 HB2 ARG 61 79.003 4.701 1.063 496 HB3 ARG 61 HB1 ARG 61 79.334 4.339 2.758 497 HG2 ARG 61 HG2 ARG 61 78.540 2.011 2.389 498 HG3 ARG 61 HG1 ARG 61 78.313 2.380 0.682 499 HD2 ARG 61 HD2 ARG 61 80.930 3.209 1.115 500 HD3 ARG 61 HD1 ARG 61 80.813 1.788 2.148 501 HE ARG 61 HE ARG 61 81.156 1.702 -0.634 502 HH11 ARG 61 HH21 ARG 61 78.895 0.487 1.678 503 HH12 ARG 61 HH22 ARG 61 78.367 -0.809 0.665 504 HH21 ARG 61 HH11 ARG 61 80.484 0.010 -1.948 505 HH22 ARG 61 HH12 ARG 61 79.267 -1.084 -1.381 506 H GLY 62 HN GLY 62 75.228 5.557 3.255 507 HA2 GLY 62 HA2 GLY 62 75.823 8.249 2.472 508 HA3 GLY 62 HA1 GLY 62 74.660 7.788 3.716
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